#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb9 s ILE 37 N 0.00 5.00 0.04 -0.39 1.01 -1.26 -4.90 121.20 120.70 3hb9 s ILE 37 Ca 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 58.80 3hb9 s ILE 37 Cb 0.00 -4.19 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 3hb9 s ILE 37 CO 0.00 -0.89 0.99 0.11 0.00 0.00 0.00 174.94 175.14 3hb9 h LYS 38 N 8.38 0.05 -3.98 2.79 1.79 -1.94 -3.45 116.57 120.21 3hb9 h LYS 38 Ca -0.15 -0.08 -0.28 0.00 -2.18 0.00 0.00 60.65 57.95 3hb9 h LYS 38 Cb 1.07 0.03 -0.29 0.00 -1.58 0.00 0.00 32.23 31.46 3hb9 h LYS 38 CO 0.90 0.85 -0.74 0.21 -1.08 0.00 0.00 179.45 179.59 3hb9 s LYS 39 N -2.65 0.21 -0.06 3.15 2.20 -1.26 -1.89 119.74 119.43 3hb9 s LYS 39 Ca -0.03 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 3hb9 s LYS 39 Cb 0.09 -0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.19 3hb9 s LYS 39 CO 0.83 0.04 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.54 3hb9 s LEU 40 N 0.04 1.76 -0.16 5.43 2.96 0.12 -2.31 118.68 126.52 3hb9 s LEU 40 Ca -0.00 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3hb9 s LEU 40 Cb -0.02 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 3hb9 s LEU 40 CO -0.00 0.08 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.87 3hb9 s LEU 41 N 0.45 3.36 -0.39 -0.68 0.20 -0.45 -0.15 118.68 121.01 3hb9 s LEU 41 Ca -0.11 -0.09 -0.15 0.00 0.69 0.00 0.00 54.13 54.46 3hb9 s LEU 41 Cb -0.14 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3hb9 s LEU 41 CO 0.04 0.17 0.33 -0.69 -0.29 0.00 0.00 176.35 175.90 3hb9 s VAL 42 N 0.37 5.21 -0.18 1.68 1.01 -0.77 -0.94 120.40 126.77 3hb9 s VAL 42 Ca -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3hb9 s VAL 42 Cb -0.14 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3hb9 s VAL 42 CO 0.02 -0.25 2.98 0.00 0.00 0.00 0.00 175.10 177.86 3hb9 n ALA 43 N 5.28 5.98 -3.00 5.51 0.00 -0.38 -4.03 120.51 129.87 3hb9 n ALA 43 Ca -0.10 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.36 3hb9 n ALA 43 Cb 0.48 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3hb9 n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hb9 n ASN 44 N 1.63 0.00 -3.58 0.00 5.15 -1.26 -4.73 115.26 112.47 3hb9 n ASN 44 Ca 0.38 -0.83 -0.13 0.00 -0.60 0.00 0.00 54.58 53.41 3hb9 n ASN 44 Cb 0.71 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.91 3hb9 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hb9 s ARG 45 N -1.48 1.71 3.19 1.20 1.70 -1.26 -4.61 118.95 119.41 3hb9 s ARG 45 Ca 0.00 -1.61 0.00 0.00 -0.47 0.00 0.00 55.73 53.65 3hb9 s ARG 45 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3hb9 s ARG 45 CO 0.00 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 3hb9 n GLY 46 N -0.48 0.02 0.28 3.88 0.00 -1.26 -3.42 105.19 104.21 3hb9 n GLY 46 Ca 0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 3hb9 n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hb9 h GLU 47 N 0.00 0.57 -0.37 1.61 -0.00 -1.86 -2.20 114.58 112.33 3hb9 h GLU 47 Ca 0.00 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.36 59.10 3hb9 h GLU 47 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 28.66 3hb9 h GLU 47 CO 0.00 0.58 -0.33 0.97 -0.00 0.00 0.00 179.01 180.23 3hb9 h ILE 48 N 0.55 1.28 0.01 -1.06 6.09 -1.89 0.25 117.51 122.73 3hb9 h ILE 48 Ca 0.12 -1.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 3hb9 h ILE 48 Cb 0.32 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.95 3hb9 h ILE 48 CO 0.01 0.49 -0.01 0.00 -3.07 0.00 0.00 178.15 175.57 3hb9 h ALA 49 N 0.93 -0.02 -0.62 0.18 0.00 -1.50 -0.07 119.26 118.16 3hb9 h ALA 49 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hb9 h ALA 49 Cb 0.88 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3hb9 h ALA 49 CO 0.08 -0.51 0.34 0.82 0.00 0.00 0.00 179.25 179.97 3hb9 h ILE 50 N -0.03 0.97 -0.29 0.00 2.04 -1.19 -0.84 117.51 118.17 3hb9 h ILE 50 Ca 0.00 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3hb9 h ILE 50 Cb 0.03 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3hb9 h ILE 50 CO -0.00 0.12 0.13 -0.09 0.00 0.00 0.00 178.15 178.30 3hb9 h ARG 51 N 0.63 0.42 -0.63 2.37 9.65 -0.16 -2.54 114.38 124.12 3hb9 h ARG 51 Ca 0.27 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3hb9 h ARG 51 Cb 0.16 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 3hb9 h ARG 51 CO -0.17 0.42 0.20 0.82 2.80 0.00 0.00 179.97 184.03 3hb9 h ILE 52 N 0.32 1.25 -0.32 1.20 2.04 -0.82 -2.49 117.51 118.69 3hb9 h ILE 52 Ca 0.10 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.18 3hb9 h ILE 52 Cb 0.14 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3hb9 h ILE 52 CO -0.01 0.32 -0.10 -0.26 0.00 0.00 0.00 178.15 178.10 3hb9 h PHE 53 N 0.91 -0.24 0.00 1.37 0.05 -0.85 -0.51 116.94 117.68 3hb9 h PHE 53 Ca 0.20 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 62.00 3hb9 h PHE 53 Cb 0.29 0.15 -0.00 0.00 2.00 0.00 0.00 35.95 38.39 3hb9 h PHE 53 CO 0.02 -0.17 -0.12 0.07 -0.18 0.00 0.00 178.31 177.94 3hb9 h ARG 54 N -0.04 0.00 -0.09 1.51 0.11 -1.38 0.31 114.38 114.80 3hb9 h ARG 54 Ca 0.16 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.21 3hb9 h ARG 54 Cb 0.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 3hb9 h ARG 54 CO -0.35 0.12 -0.05 0.00 0.10 0.00 0.00 179.97 179.79 3hb9 h ALA 55 N 1.88 0.13 -0.20 0.08 0.00 -0.95 -2.81 119.26 117.40 3hb9 h ALA 55 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hb9 h ALA 55 Cb 0.81 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hb9 h ALA 55 CO 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.04 3hb9 h ALA 56 N 0.63 1.43 -0.44 0.00 0.00 -0.79 -2.52 119.26 117.57 3hb9 h ALA 56 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3hb9 h ALA 56 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hb9 h ALA 56 CO 0.01 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 3hb9 h ALA 57 N 1.58 1.00 0.00 0.00 0.00 -0.97 0.13 119.26 121.01 3hb9 h ALA 57 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3hb9 h ALA 57 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hb9 h ALA 57 CO 0.02 0.60 -0.19 0.93 0.00 0.00 0.00 179.25 180.61 3hb9 h GLU 58 N 0.72 0.00 -0.46 0.00 5.08 -1.17 -2.12 114.58 116.62 3hb9 h GLU 58 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hb9 h GLU 58 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hb9 h GLU 58 CO 0.04 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 3hb9 n LEU 59 N -4.03 2.60 -3.29 1.33 4.77 -1.03 -4.93 117.00 112.42 3hb9 n LEU 59 Ca -0.02 -1.28 -0.20 0.00 -0.03 0.00 0.00 56.01 54.48 3hb9 n LEU 59 Cb 0.27 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 3hb9 n LEU 59 CO 0.34 0.64 0.20 0.47 -1.33 0.00 0.00 177.39 177.71 3hb9 n ASP 60 N 0.92 -5.05 -4.29 -1.43 9.92 -0.80 -5.02 116.55 110.80 3hb9 n ASP 60 Ca 0.17 -0.51 -0.35 0.00 -0.53 0.00 0.00 54.79 53.57 3hb9 n ASP 60 Cb 0.42 -4.64 -0.14 0.00 -0.64 0.00 0.00 41.12 36.12 3hb9 n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hb9 s ILE 61 N -3.30 3.25 0.44 0.53 1.01 0.44 -4.99 121.20 118.58 3hb9 s ILE 61 Ca 0.41 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 3hb9 s ILE 61 Cb -0.18 -2.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.73 3hb9 s ILE 61 CO 0.66 0.43 1.29 -0.24 0.00 0.00 0.00 174.94 177.09 3hb9 n SER 62 N 4.78 2.62 -4.42 3.58 2.88 -0.79 -4.04 113.62 118.22 3hb9 n SER 62 Ca -0.18 1.09 -0.27 0.00 -1.33 0.00 0.00 58.87 58.18 3hb9 n SER 62 Cb 0.51 -1.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.33 3hb9 n SER 62 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hb9 s THR 63 N -1.22 2.32 -0.04 2.46 -4.23 -1.26 0.13 115.64 113.81 3hb9 s THR 63 Ca 0.62 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 3hb9 s THR 63 Cb -0.49 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3hb9 s THR 63 CO 0.57 -0.13 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.80 3hb9 s VAL 64 N -1.70 0.36 0.10 2.29 1.01 0.79 -1.52 120.40 121.72 3hb9 s VAL 64 Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3hb9 s VAL 64 Cb -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hb9 s VAL 64 CO 0.10 0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.54 3hb9 s ALA 65 N 0.97 3.75 0.10 5.51 0.00 0.09 -1.86 121.76 130.33 3hb9 s ALA 65 Ca -0.10 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 50.95 3hb9 s ALA 65 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3hb9 s ALA 65 CO -0.01 0.70 -0.22 0.96 0.00 0.00 0.00 175.76 177.19 3hb9 s ILE 66 N -1.54 2.56 -0.02 0.00 -4.36 -1.26 -1.61 121.20 114.97 3hb9 s ILE 66 Ca 0.32 -1.52 -0.09 0.00 -0.26 0.00 0.00 60.65 59.10 3hb9 s ILE 66 Cb -0.12 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3hb9 s ILE 66 CO 0.25 0.17 0.19 -0.72 0.24 0.00 0.00 174.94 175.07 3hb9 s TYR 67 N -1.04 -0.05 0.88 1.37 1.13 -1.02 -4.86 117.35 113.77 3hb9 s TYR 67 Ca 0.15 0.08 -0.13 0.00 -1.41 0.00 0.00 57.07 55.76 3hb9 s TYR 67 Cb -0.10 0.01 0.16 0.00 -1.10 0.00 0.00 41.96 40.92 3hb9 s TYR 67 CO 0.07 -0.28 1.23 -1.54 -2.51 0.00 0.00 175.55 172.53 3hb9 s SER 68 N -1.10 3.65 0.26 -0.18 1.04 -1.26 -1.93 113.70 114.18 3hb9 s SER 68 Ca -0.12 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 3hb9 s SER 68 Cb -0.06 -0.52 0.31 0.00 0.10 0.00 0.00 66.02 65.86 3hb9 s SER 68 CO 0.02 -2.39 1.92 0.78 0.98 0.00 0.00 173.24 174.55 3hb9 h ASN 69 N -1.32 1.11 0.15 7.02 4.21 -1.89 -2.60 115.58 122.26 3hb9 h ASN 69 Ca -0.44 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3hb9 h ASN 69 Cb 1.26 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 3hb9 h ASN 69 CO 0.45 0.78 -0.10 1.21 -1.29 0.00 0.00 177.43 178.48 3hb9 n GLU 70 N -4.41 1.12 -0.30 0.81 2.13 -1.26 -3.26 120.64 115.46 3hb9 n GLU 70 Ca 0.13 -0.55 0.09 0.00 0.66 0.00 0.00 57.16 57.49 3hb9 n GLU 70 Cb 0.06 -1.49 0.24 0.00 0.27 0.00 0.00 31.44 30.52 3hb9 n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hb9 n ASP 71 N -0.46 3.54 0.27 4.31 9.92 -0.99 -4.49 116.55 128.64 3hb9 n ASP 71 Ca 0.16 -2.07 0.17 0.00 -0.53 0.00 0.00 54.79 52.53 3hb9 n ASP 71 Cb 0.31 -0.38 0.82 0.00 -0.64 0.00 0.00 41.12 41.23 3hb9 n ASP 71 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hb9 h LYS 72 N 3.13 0.00 -0.06 -1.24 1.57 -1.51 -1.40 116.57 117.06 3hb9 h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hb9 h LYS 72 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3hb9 h LYS 72 CO 0.03 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.36 3hb9 n SER 73 N -3.17 1.95 -4.78 0.86 2.88 -1.26 -5.02 113.62 105.08 3hb9 n SER 73 Ca 0.00 -1.49 -0.36 0.00 -1.33 0.00 0.00 58.87 55.69 3hb9 n SER 73 Cb 0.42 -0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.83 3hb9 n SER 73 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3hb9 s SER 74 N -0.81 6.13 0.28 -3.46 0.15 -0.53 -4.95 113.70 110.52 3hb9 s SER 74 Ca 0.12 2.19 0.01 0.00 0.70 0.00 0.00 55.95 58.97 3hb9 s SER 74 Cb 0.08 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.22 3hb9 s SER 74 CO 0.12 -0.94 1.78 0.25 1.20 0.00 0.00 173.24 175.65 3hb9 h LEU 75 N 1.79 0.62 -2.26 3.45 5.85 -1.89 -3.03 115.31 119.85 3hb9 h LEU 75 Ca -0.49 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 3hb9 h LEU 75 Cb 1.24 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hb9 h LEU 75 CO 0.59 0.74 -0.05 1.12 -0.34 0.00 0.00 178.44 180.50 3hb9 h HIS 76 N 0.60 0.00 -0.89 1.25 2.07 -1.86 -2.40 115.15 113.92 3hb9 h HIS 76 Ca 0.11 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.71 3hb9 h HIS 76 Cb 0.47 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.38 3hb9 h HIS 76 CO 0.02 0.05 0.55 -0.09 -3.07 0.00 0.00 177.93 175.39 3hb9 h ARG 77 N 0.00 0.93 -0.02 5.12 2.43 -1.86 -2.92 114.38 118.07 3hb9 h ARG 77 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hb9 h ARG 77 Cb 0.18 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3hb9 h ARG 77 CO 0.01 0.62 -0.07 0.66 -1.51 0.00 0.00 179.97 179.68 3hb9 n TYR 78 N -4.63 0.00 0.41 2.20 4.02 -0.90 -4.06 117.16 114.19 3hb9 n TYR 78 Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.15 3hb9 n TYR 78 Cb 0.23 -0.02 0.23 0.00 -0.02 0.00 0.00 39.34 39.76 3hb9 n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3hb9 n LYS 79 N 0.30 2.44 -4.34 -0.72 4.76 -1.10 -4.92 118.16 114.58 3hb9 n LYS 79 Ca 0.16 -2.18 -0.24 0.00 -2.87 0.00 0.00 58.31 53.19 3hb9 n LYS 79 Cb 0.42 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 3hb9 n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hb9 s ALA 80 N -1.53 3.09 0.22 7.82 0.00 -1.26 -4.84 121.76 125.25 3hb9 s ALA 80 Ca 0.38 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.47 3hb9 s ALA 80 Cb 0.22 -0.53 0.18 0.00 0.00 0.00 0.00 23.12 22.99 3hb9 s ALA 80 CO 0.31 0.20 1.70 -0.44 0.00 0.00 0.00 175.76 177.54 3hb9 h ASP 81 N 1.94 0.96 -3.72 0.00 3.32 -1.85 -3.44 116.42 113.62 3hb9 h ASP 81 Ca -0.43 -0.24 -0.40 0.00 0.02 0.00 0.00 57.03 55.98 3hb9 h ASP 81 Cb 1.25 -0.25 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 3hb9 h ASP 81 CO 0.62 0.99 -0.74 -1.61 -1.72 0.00 0.00 179.24 176.78 3hb9 s GLU 82 N -5.08 1.15 -0.12 3.56 2.02 -0.58 -5.00 118.70 114.65 3hb9 s GLU 82 Ca -0.11 -1.43 -0.10 0.00 0.02 0.00 0.00 54.97 53.35 3hb9 s GLU 82 Cb 0.14 -0.90 0.03 0.00 0.10 0.00 0.00 34.13 33.51 3hb9 s GLU 82 CO 0.84 0.15 0.30 -1.54 0.02 0.00 0.00 175.26 175.03 3hb9 s SER 83 N -2.98 -0.32 -0.03 -0.19 1.04 -1.26 -0.73 113.70 109.23 3hb9 s SER 83 Ca 0.16 0.62 -0.00 0.00 0.48 0.00 0.00 55.95 57.20 3hb9 s SER 83 Cb -0.01 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3hb9 s SER 83 CO 0.04 -0.12 0.03 -0.31 0.98 0.00 0.00 173.24 173.86 3hb9 s TYR 84 N 0.34 0.12 0.23 5.02 1.51 -0.63 -4.96 117.35 118.96 3hb9 s TYR 84 Ca -0.01 0.11 -0.31 0.00 -1.01 0.00 0.00 57.07 55.85 3hb9 s TYR 84 Cb -0.03 -0.33 -0.10 0.00 -0.11 0.00 0.00 41.96 41.38 3hb9 s TYR 84 CO -0.01 -0.12 1.51 -1.17 -1.11 0.00 0.00 175.55 174.64 3hb9 s LEU 85 N 1.27 4.37 0.17 -1.29 2.96 -1.26 -2.43 118.68 122.47 3hb9 s LEU 85 Ca -0.07 2.69 -0.08 0.00 -0.22 0.00 0.00 54.13 56.45 3hb9 s LEU 85 Cb -0.13 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.98 3hb9 s LEU 85 CO -0.03 -0.78 1.51 0.58 -1.32 0.00 0.00 176.35 176.32 3hb9 h VAL 86 N 3.68 1.28 0.00 1.68 2.07 -1.74 -3.47 116.25 119.75 3hb9 h VAL 86 Ca -0.45 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.51 3hb9 h VAL 86 Cb 1.21 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3hb9 h VAL 86 CO 0.83 0.51 0.00 0.61 0.02 0.00 0.00 177.57 179.54 3hb9 n GLY 87 N 0.08 3.79 0.08 2.17 0.00 -1.26 -4.91 105.19 105.14 3hb9 n GLY 87 Ca -0.02 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3hb9 n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hb9 n SER 88 N 0.00 0.43 0.00 1.61 7.64 -1.26 -3.01 113.62 119.03 3hb9 n SER 88 Ca 0.00 0.59 0.11 0.00 1.01 0.00 0.00 58.87 60.58 3hb9 n SER 88 Cb 0.00 -0.69 0.59 0.00 -1.01 0.00 0.00 64.21 63.10 3hb9 n SER 88 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hb9 n ASP 89 N -1.96 0.00 -4.23 6.43 5.75 -1.26 -4.78 116.55 116.51 3hb9 n ASP 89 Ca 0.03 -0.09 -0.13 0.00 -0.01 0.00 0.00 54.79 54.59 3hb9 n ASP 89 Cb 0.24 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 39.97 3hb9 n ASP 89 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hb9 s LEU 90 N -2.53 2.20 0.50 -2.12 1.43 -1.16 -5.17 118.68 111.82 3hb9 s LEU 90 Ca 0.23 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 3hb9 s LEU 90 Cb 0.16 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.31 3hb9 s LEU 90 CO 0.35 -0.54 0.76 -0.83 0.23 0.00 0.00 176.35 176.31 3hb9 s GLY 91 N -3.14 1.57 0.56 -3.19 0.00 -1.26 -4.87 107.32 96.97 3hb9 s GLY 91 Ca 0.21 -0.87 0.25 0.00 0.00 0.00 0.00 44.72 44.32 3hb9 s GLY 91 CO 0.02 -0.67 2.09 -2.55 0.00 0.00 0.00 173.10 171.99 3hb9 h PRO 92 N 0.19 0.00 0.17 2.90 0.11 -1.96 -2.33 132.00 131.08 3hb9 h PRO 92 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3hb9 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hb9 h PRO 92 CO 0.59 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.30 3hb9 h ALA 93 N 1.81 -0.23 -0.60 -0.75 0.00 -1.94 -3.23 119.26 114.33 3hb9 h ALA 93 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3hb9 h ALA 93 Cb 0.51 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3hb9 h ALA 93 CO -0.00 -0.57 0.13 -1.91 0.00 0.00 0.00 179.25 176.90 3hb9 n GLU 94 N -5.14 4.03 -0.01 0.00 4.07 -0.91 -4.51 120.64 118.17 3hb9 n GLU 94 Ca -0.09 -2.83 -0.02 0.00 -0.06 0.00 0.00 57.16 54.16 3hb9 n GLU 94 Cb 0.15 -2.17 -0.11 0.00 -0.06 0.00 0.00 31.44 29.25 3hb9 n GLU 94 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3hb9 n SER 95 N 0.23 0.63 -0.96 4.31 2.88 -0.99 -3.68 113.62 116.04 3hb9 n SER 95 Ca 0.31 0.28 0.12 0.00 -1.33 0.00 0.00 58.87 58.26 3hb9 n SER 95 Cb 1.21 0.44 0.11 0.00 -0.75 0.00 0.00 64.21 65.22 3hb9 n SER 95 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3hb9 n TYR 96 N -2.83 0.02 0.01 0.66 4.02 -1.26 -4.24 117.16 113.54 3hb9 n TYR 96 Ca -0.15 -0.01 0.01 0.00 -0.01 0.00 0.00 57.90 57.74 3hb9 n TYR 96 Cb 0.91 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.25 3hb9 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hb9 n LEU 97 N 1.33 1.77 -4.55 7.72 4.32 -1.26 -4.70 117.00 121.63 3hb9 n LEU 97 Ca 0.14 -1.62 -0.40 0.00 -0.02 0.00 0.00 56.01 54.12 3hb9 n LEU 97 Cb 0.59 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.34 3hb9 n LEU 97 CO 0.15 0.44 1.34 0.21 -1.22 0.00 0.00 177.39 178.30 3hb9 s ASN 98 N -0.68 6.17 0.11 -1.43 3.84 -1.24 -4.88 114.94 116.82 3hb9 s ASN 98 Ca 0.03 -0.81 -0.21 0.00 0.21 0.00 0.00 52.86 52.08 3hb9 s ASN 98 Cb 0.02 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.07 3hb9 s ASN 98 CO 0.03 -1.81 1.72 0.40 -2.79 0.00 0.00 177.10 174.65 3hb9 h ILE 99 N 6.48 0.89 -0.04 -5.21 2.04 -1.94 -2.29 117.51 117.44 3hb9 h ILE 99 Ca -0.06 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3hb9 h ILE 99 Cb 1.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3hb9 h ILE 99 CO 1.33 0.00 -0.38 -0.33 0.00 0.00 0.00 178.15 178.77 3hb9 h GLU 100 N -0.00 0.08 0.09 2.37 4.39 -2.00 -2.81 114.58 116.69 3hb9 h GLU 100 Ca 0.05 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 3hb9 h GLU 100 Cb 0.08 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3hb9 h GLU 100 CO -0.11 0.45 -0.68 -0.09 -1.16 0.00 0.00 179.01 177.42 3hb9 h ARG 101 N 0.07 0.30 -0.71 2.33 9.65 -1.92 -3.07 114.38 121.03 3hb9 h ARG 101 Ca 0.01 -0.44 0.06 0.00 -1.10 0.00 0.00 59.98 58.50 3hb9 h ARG 101 Cb 0.71 0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 29.39 3hb9 h ARG 101 CO 0.05 1.18 0.41 0.82 2.80 0.00 0.00 179.97 185.23 3hb9 h ILE 102 N -0.35 0.98 -0.69 1.20 2.04 -1.42 -2.26 117.51 117.01 3hb9 h ILE 102 Ca -0.11 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hb9 h ILE 102 Cb 1.48 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3hb9 h ILE 102 CO 0.13 0.14 0.42 0.40 0.00 0.00 0.00 178.15 179.23 3hb9 h ILE 103 N 0.75 1.20 -0.77 -0.67 2.04 -1.60 -2.32 117.51 116.14 3hb9 h ILE 103 Ca 0.32 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3hb9 h ILE 103 Cb 0.19 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3hb9 h ILE 103 CO -0.18 0.21 0.47 0.44 0.00 0.00 0.00 178.15 179.09 3hb9 h ASP 104 N 0.94 0.76 -0.54 1.72 5.19 -1.32 -0.16 116.42 123.01 3hb9 h ASP 104 Ca 0.25 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.67 3hb9 h ASP 104 Cb -0.03 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.30 3hb9 h ASP 104 CO -0.05 0.51 0.36 0.58 -3.12 0.00 0.00 179.24 177.52 3hb9 h VAL 105 N 0.90 1.13 -0.56 -1.35 2.07 -1.18 -0.67 116.25 116.59 3hb9 h VAL 105 Ca 0.32 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3hb9 h VAL 105 Cb 0.09 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3hb9 h VAL 105 CO -0.14 0.13 0.29 0.00 0.02 0.00 0.00 177.57 177.88 3hb9 h ALA 106 N 1.20 0.72 -0.01 1.67 0.00 -0.78 0.17 119.26 122.23 3hb9 h ALA 106 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hb9 h ALA 106 Cb -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3hb9 h ALA 106 CO -0.05 0.26 0.00 0.87 0.00 0.00 0.00 179.25 180.33 3hb9 h LYS 107 N 0.76 0.02 -0.48 0.00 1.57 -0.86 0.09 116.57 117.66 3hb9 h LYS 107 Ca 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hb9 h LYS 107 Cb 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hb9 h LYS 107 CO -0.03 0.20 0.31 0.37 -0.57 0.00 0.00 179.45 179.72 3hb9 h GLN 108 N -0.16 0.63 -0.10 3.15 -0.00 -1.01 -0.56 115.11 117.07 3hb9 h GLN 108 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3hb9 h GLN 108 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.52 3hb9 h GLN 108 CO -0.00 0.42 0.00 0.00 0.00 0.00 0.00 178.83 179.25 3hb9 n ALA 109 N -2.46 2.56 -3.43 3.38 0.00 0.60 -4.97 120.51 116.18 3hb9 n ALA 109 Ca 0.04 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 3hb9 n ALA 109 Cb 0.06 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.36 3hb9 n ALA 109 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hb9 n ASN 110 N -0.03 -6.27 -4.71 0.00 5.15 -0.16 -4.98 115.26 104.26 3hb9 n ASN 110 Ca 0.16 -0.66 -0.35 0.00 -0.60 0.00 0.00 54.58 53.14 3hb9 n ASN 110 Cb 0.26 -4.01 -0.09 0.00 -0.53 0.00 0.00 39.78 35.42 3hb9 n ASN 110 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hb9 s VAL 111 N -3.22 4.68 -0.02 3.44 1.01 -0.21 -4.85 120.40 121.25 3hb9 s VAL 111 Ca 0.24 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 3hb9 s VAL 111 Cb -0.07 -3.02 -0.33 0.00 0.00 0.00 0.00 36.38 32.96 3hb9 s VAL 111 CO 0.81 0.58 0.90 0.44 0.00 0.00 0.00 175.10 177.83 3hb9 h ASP 112 N 5.49 0.65 -5.13 3.32 5.19 -1.80 -3.45 116.42 120.69 3hb9 h ASP 112 Ca -0.48 -0.93 -0.10 0.00 -0.62 0.00 0.00 57.03 54.89 3hb9 h ASP 112 Cb 1.20 -0.21 -0.16 0.00 0.18 0.00 0.00 39.33 40.34 3hb9 h ASP 112 CO 0.59 1.59 -0.44 0.00 -3.12 0.00 0.00 179.24 177.86 3hb9 s ALA 113 N -2.52 -0.15 -0.13 3.45 0.00 -1.15 -1.58 121.76 119.68 3hb9 s ALA 113 Ca -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3hb9 s ALA 113 Cb 0.03 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3hb9 s ALA 113 CO 0.88 -0.42 -0.18 0.42 0.00 0.00 0.00 175.76 176.46 3hb9 s ILE 114 N -3.31 1.79 -0.28 0.00 1.01 0.03 -1.34 121.20 119.10 3hb9 s ILE 114 Ca 0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 3hb9 s ILE 114 Cb 0.03 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3hb9 s ILE 114 CO -0.08 0.50 0.53 -2.28 0.00 0.00 0.00 174.94 173.61 3hb9 s HIS 115 N 0.95 3.24 -0.05 3.97 2.46 -0.12 -1.02 115.29 124.73 3hb9 s HIS 115 Ca -0.06 0.55 0.16 0.00 0.47 0.00 0.00 55.06 56.18 3hb9 s HIS 115 Cb -0.15 -2.80 0.26 0.00 -0.13 0.00 0.00 32.58 29.76 3hb9 s HIS 115 CO -0.03 -0.36 1.53 -1.35 -2.47 0.00 0.00 174.74 172.06 3hb9 h PRO 116 N 8.13 0.00 0.00 2.88 0.11 -1.85 -0.99 132.00 140.27 3hb9 h PRO 116 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hb9 h PRO 116 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hb9 h PRO 116 CO 0.74 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.41 3hb9 n GLY 117 N 0.92 0.42 3.08 -0.55 0.00 -1.26 -4.28 105.19 103.52 3hb9 n GLY 117 Ca 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 3hb9 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hb9 s TYR 118 N 0.00 0.82 -1.49 1.61 -0.85 -1.26 -4.18 117.35 112.00 3hb9 s TYR 118 Ca 0.00 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.14 3hb9 s TYR 118 Cb 0.00 -0.49 0.00 0.00 0.38 0.00 0.00 41.96 41.85 3hb9 s TYR 118 CO 0.00 -0.03 0.01 0.41 -1.52 0.00 0.00 175.55 174.42 3hb9 n GLY 119 N 1.72 -0.35 1.61 5.49 0.00 -1.26 -4.81 105.19 107.58 3hb9 n GLY 119 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3hb9 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hb9 n PHE 120 N -4.02 -0.41 -0.18 1.61 3.72 -1.26 -4.94 117.46 111.97 3hb9 n PHE 120 Ca -0.21 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3hb9 n PHE 120 Cb 0.66 0.32 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3hb9 n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hb9 n LEU 121 N -2.76 0.66 0.07 4.37 4.77 -1.26 -4.81 117.00 118.04 3hb9 n LEU 121 Ca 0.00 -0.72 0.20 0.00 -0.03 0.00 0.00 56.01 55.45 3hb9 n LEU 121 Cb 0.00 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.83 3hb9 n LEU 121 CO 0.00 0.17 1.18 0.77 -1.33 0.00 0.00 177.39 178.17 3hb9 h SER 122 N 0.00 0.00 -0.01 -1.43 4.64 -1.85 0.20 113.55 115.10 3hb9 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hb9 h SER 122 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hb9 h SER 122 CO 0.00 0.00 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.01 3hb9 n GLU 123 N -4.05 1.74 -2.56 4.77 1.02 -1.26 -4.76 120.64 115.54 3hb9 n GLU 123 Ca 0.07 -0.75 -0.43 0.00 -0.02 0.00 0.00 57.16 56.03 3hb9 n GLU 123 Cb 0.56 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 3hb9 n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hb9 s ASN 124 N -1.85 6.56 0.45 1.62 3.84 0.71 -4.86 114.94 121.41 3hb9 s ASN 124 Ca 0.12 0.47 0.20 0.00 0.21 0.00 0.00 52.86 53.86 3hb9 s ASN 124 Cb 0.12 -2.55 1.07 0.00 -0.55 0.00 0.00 41.25 39.35 3hb9 s ASN 124 CO 0.39 -1.31 1.95 -0.33 -2.79 0.00 0.00 177.10 175.01 3hb9 h GLU 125 N 9.50 0.00 -0.51 0.43 3.07 -1.90 -2.80 114.58 122.37 3hb9 h GLU 125 Ca -0.24 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.53 3hb9 h GLU 125 Cb 1.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 3hb9 h GLU 125 CO 1.13 0.23 -0.03 1.96 -1.40 0.00 0.00 179.01 180.89 3hb9 h GLN 126 N 0.00 0.92 -0.08 2.33 4.20 -1.95 -1.82 115.11 118.71 3hb9 h GLN 126 Ca -0.00 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 3hb9 h GLN 126 Cb 0.49 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3hb9 h GLN 126 CO 0.03 0.96 0.04 0.35 -0.67 0.00 0.00 178.83 179.54 3hb9 h PHE 127 N 0.78 0.11 -0.40 2.96 3.57 -1.84 -1.11 116.94 121.02 3hb9 h PHE 127 Ca 0.14 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3hb9 h PHE 127 Cb 0.57 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3hb9 h PHE 127 CO 0.04 0.18 -0.05 0.00 -2.23 0.00 0.00 178.31 176.25 3hb9 h ALA 128 N 0.92 1.16 -0.24 2.41 0.00 -1.54 -0.68 119.26 121.29 3hb9 h ALA 128 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3hb9 h ALA 128 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hb9 h ALA 128 CO -0.00 0.54 0.05 -0.09 0.00 0.00 0.00 179.25 179.74 3hb9 h ARG 129 N 0.63 0.38 0.00 0.00 2.43 -1.21 -2.80 114.38 113.81 3hb9 h ARG 129 Ca 0.12 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3hb9 h ARG 129 Cb 0.47 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hb9 h ARG 129 CO 0.02 0.50 -0.33 0.00 -1.51 0.00 0.00 179.97 178.66 3hb9 h ARG 130 N 0.20 0.00 0.12 0.20 2.47 -0.92 -3.02 114.38 113.42 3hb9 h ARG 130 Ca 0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 3hb9 h ARG 130 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3hb9 h ARG 130 CO 0.00 0.33 -0.06 0.00 0.56 0.00 0.00 179.97 180.81 3hb9 h ALA 132 N 0.20 1.70 -0.81 0.00 0.00 -1.34 0.57 119.26 119.58 3hb9 h ALA 132 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hb9 h ALA 132 Cb 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hb9 h ALA 132 CO 0.03 0.14 0.44 0.93 0.00 0.00 0.00 179.25 180.78 3hb9 h GLU 133 N 0.81 1.12 -0.49 0.00 5.08 -1.55 -2.49 114.58 117.05 3hb9 h GLU 133 Ca 0.38 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3hb9 h GLU 133 Cb 0.41 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hb9 h GLU 133 CO -0.15 0.82 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 3hb9 n GLU 134 N -4.35 2.17 -1.81 2.33 -0.58 -0.57 -4.89 120.64 112.95 3hb9 n GLU 134 Ca 0.08 -1.40 -0.09 0.00 -0.42 0.00 0.00 57.16 55.34 3hb9 n GLU 134 Cb 0.10 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 3hb9 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hb9 n GLY 135 N 0.87 0.42 3.46 0.62 0.00 -0.94 -5.01 105.19 104.60 3hb9 n GLY 135 Ca 0.13 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3hb9 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 136 N -2.40 4.14 -0.38 -0.61 1.01 0.09 -4.88 121.20 118.17 3hb9 s ILE 136 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3hb9 s ILE 136 Cb 0.00 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.59 3hb9 s ILE 136 CO 0.00 0.40 1.27 -0.75 0.00 0.00 0.00 174.94 175.86 3hb9 s LYS 137 N 1.15 3.78 -0.29 2.79 2.47 -0.62 -2.84 119.74 126.18 3hb9 s LYS 137 Ca 0.03 0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 55.12 3hb9 s LYS 137 Cb -0.14 -3.92 -0.01 0.00 -1.46 0.00 0.00 37.83 32.30 3hb9 s LYS 137 CO 0.02 -1.30 1.56 0.12 0.16 0.00 0.00 175.35 175.91 3hb9 s PHE 138 N 4.64 2.20 -0.84 4.03 2.19 -1.26 -0.79 117.98 128.16 3hb9 s PHE 138 Ca 0.55 0.64 -0.25 0.00 0.33 0.00 0.00 56.93 58.19 3hb9 s PHE 138 Cb -0.13 -4.06 -0.00 0.00 -1.31 0.00 0.00 43.02 37.52 3hb9 s PHE 138 CO 0.27 -2.56 1.68 0.42 1.83 0.00 0.00 175.22 176.87 3hb9 s ILE 139 N 5.41 3.60 -1.67 3.12 1.01 -0.19 -4.77 121.20 127.71 3hb9 s ILE 139 Ca 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3hb9 s ILE 139 Cb -0.21 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3hb9 s ILE 139 CO 0.30 -1.36 0.00 0.61 0.00 0.00 0.00 174.94 174.49 3hb9 n GLY 140 N 6.35 -0.90 3.75 6.18 0.00 -1.26 -4.49 105.19 114.81 3hb9 n GLY 140 Ca 0.27 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 3hb9 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hb9 s PRO 141 N -0.67 -0.26 0.81 1.61 0.04 -1.24 -4.61 135.00 130.68 3hb9 s PRO 141 Ca 0.00 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 60.76 3hb9 s PRO 141 Cb 0.00 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.90 3hb9 s PRO 141 CO 0.00 -3.05 1.09 -1.01 0.04 0.00 0.00 177.00 174.07 3hb9 s HIS 142 N -3.39 2.47 0.25 0.56 3.76 -1.26 -4.87 115.29 112.81 3hb9 s HIS 142 Ca 0.72 1.48 -0.03 0.00 -0.15 0.00 0.00 55.06 57.07 3hb9 s HIS 142 Cb -0.08 -3.09 0.48 0.00 1.11 0.00 0.00 32.58 31.01 3hb9 s HIS 142 CO 0.55 -2.01 1.74 -0.07 -0.85 0.00 0.00 174.74 174.09 3hb9 h LEU 143 N -1.28 0.35 -1.23 0.89 4.07 -1.96 -1.28 115.31 114.87 3hb9 h LEU 143 Ca -0.45 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3hb9 h LEU 143 Cb 1.25 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3hb9 h LEU 143 CO 0.52 0.13 0.00 1.05 -1.08 0.00 0.00 178.44 179.06 3hb9 h GLU 144 N 0.49 0.00 0.14 1.13 9.09 -1.99 -2.46 114.58 120.98 3hb9 h GLU 144 Ca 0.43 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.65 3hb9 h GLU 144 Cb 0.64 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.76 3hb9 h GLU 144 CO -0.39 0.00 -0.84 0.45 0.05 0.00 0.00 179.01 178.28 3hb9 h HIS 145 N 0.00 0.54 -0.49 2.06 3.86 -1.60 -2.59 115.15 116.92 3hb9 h HIS 145 Ca 0.00 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 58.81 3hb9 h HIS 145 Cb 0.43 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3hb9 h HIS 145 CO 0.00 1.32 0.26 -0.07 0.86 0.00 0.00 177.93 180.31 3hb9 h LEU 146 N -0.37 0.62 -0.35 2.43 3.38 -1.26 -0.07 115.31 119.69 3hb9 h LEU 146 Ca -0.15 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3hb9 h LEU 146 Cb 1.65 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3hb9 h LEU 146 CO 0.15 0.54 -0.16 -0.78 0.09 0.00 0.00 178.44 178.28 3hb9 h ASP 147 N 0.65 0.75 -0.57 -0.43 1.82 -1.60 0.12 116.42 117.17 3hb9 h ASP 147 Ca 0.17 -0.40 0.11 0.00 -0.39 0.00 0.00 57.03 56.52 3hb9 h ASP 147 Cb 0.06 -0.21 -0.09 0.00 0.68 0.00 0.00 39.33 39.78 3hb9 h ASP 147 CO -0.03 0.99 0.07 -0.03 -1.61 0.00 0.00 179.24 178.63 3hb9 h MET 148 N 0.51 0.19 -0.12 0.28 4.05 -1.21 -3.20 114.93 115.42 3hb9 h MET 148 Ca 0.08 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3hb9 h MET 148 Cb 0.70 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 3hb9 h MET 148 CO 0.05 0.13 0.00 1.19 0.23 0.00 0.00 176.91 178.51 3hb9 n PHE 149 N -5.18 0.15 -1.30 1.39 0.99 -0.06 -1.77 117.46 111.68 3hb9 n PHE 149 Ca 0.08 -0.12 -0.32 0.00 -0.00 0.00 0.00 57.45 57.09 3hb9 n PHE 149 Cb 0.31 -0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.85 3hb9 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 150 N 0.83 5.46 0.00 1.37 0.00 0.41 -4.28 105.19 108.98 3hb9 n GLY 150 Ca 0.10 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3hb9 n GLY 150 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb9 n ASP 151 N -0.59 0.00 0.00 1.61 -0.08 -1.26 -4.98 116.55 111.25 3hb9 n ASP 151 Ca 0.55 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 3hb9 n ASP 151 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 3hb9 n ASP 151 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3hb9 n LYS 152 N -0.42 0.00 -0.09 -0.67 4.81 -1.26 -4.48 118.16 116.06 3hb9 n LYS 152 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 3hb9 n LYS 152 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 35.03 32.39 3hb9 n LYS 152 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3hb9 n VAL 153 N -1.95 1.01 -0.10 3.15 0.31 -1.26 -3.49 118.33 115.99 3hb9 n VAL 153 Ca 0.00 -0.33 -0.04 0.00 -0.01 0.00 0.00 64.34 63.95 3hb9 n VAL 153 Cb 0.00 -1.38 0.16 0.00 -0.91 0.00 0.00 33.84 31.71 3hb9 n VAL 153 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3hb9 h LYS 154 N -0.28 0.78 -0.07 5.55 1.79 -1.80 0.62 116.57 123.17 3hb9 h LYS 154 Ca -0.42 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 57.70 3hb9 h LYS 154 Cb 1.52 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.07 3hb9 h LYS 154 CO -0.16 0.80 -0.54 0.00 -1.08 0.00 0.00 179.45 178.48 3hb9 h ALA 155 N 1.25 0.97 -0.35 3.86 0.00 -1.58 -1.80 119.26 121.62 3hb9 h ALA 155 Ca 0.14 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3hb9 h ALA 155 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hb9 h ALA 155 CO 0.02 0.68 -0.28 -0.09 0.00 0.00 0.00 179.25 179.59 3hb9 h ARG 156 N 0.15 0.80 -0.04 0.00 1.12 -1.48 -2.18 114.38 112.76 3hb9 h ARG 156 Ca 0.00 -0.40 -0.00 0.00 -1.11 0.00 0.00 59.98 58.47 3hb9 h ARG 156 Cb 1.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 3hb9 h ARG 156 CO 0.08 1.03 0.02 1.15 -3.11 0.00 0.00 179.97 179.14 3hb9 h THR 157 N 0.58 1.10 -0.74 0.20 2.02 -0.82 -2.69 112.91 112.56 3hb9 h THR 157 Ca 0.06 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 67.10 3hb9 h THR 157 Cb 0.85 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 68.39 3hb9 h THR 157 CO 0.07 0.08 0.30 0.74 0.37 0.00 0.00 175.52 177.08 3hb9 h THR 158 N -0.06 0.69 -0.27 3.16 2.02 -1.31 0.15 112.91 117.30 3hb9 h THR 158 Ca 0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hb9 h THR 158 Cb 0.11 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3hb9 h THR 158 CO -0.00 0.08 0.12 0.00 0.37 0.00 0.00 175.52 176.09 3hb9 h ALA 159 N 1.52 0.35 -0.76 6.16 0.00 -1.27 0.81 119.26 126.07 3hb9 h ALA 159 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3hb9 h ALA 159 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hb9 h ALA 159 CO -0.38 -0.07 0.30 0.82 0.00 0.00 0.00 179.25 179.91 3hb9 h ILE 160 N 0.30 1.26 -0.51 0.00 2.04 -1.11 -1.37 117.51 118.11 3hb9 h ILE 160 Ca 0.09 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3hb9 h ILE 160 Cb 0.14 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3hb9 h ILE 160 CO -0.01 0.33 0.30 0.50 0.00 0.00 0.00 178.15 179.27 3hb9 h LYS 161 N 1.11 0.69 -0.24 2.37 1.63 -0.40 -0.36 116.57 121.37 3hb9 h LYS 161 Ca 0.25 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3hb9 h LYS 161 Cb 0.23 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3hb9 h LYS 161 CO -0.02 0.49 0.00 0.00 -3.45 0.00 0.00 179.45 176.47 3hb9 n ALA 162 N -2.46 2.49 -3.36 5.00 0.00 0.25 -4.94 120.51 117.50 3hb9 n ALA 162 Ca 0.04 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 3hb9 n ALA 162 Cb 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.55 3hb9 n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hb9 n ASP 163 N 0.07 -6.58 -4.28 0.00 2.03 -0.14 -4.77 116.55 102.88 3hb9 n ASP 163 Ca 0.06 -0.47 -0.25 0.00 0.52 0.00 0.00 54.79 54.66 3hb9 n ASP 163 Cb 0.18 -3.94 -0.13 0.00 -0.72 0.00 0.00 41.12 36.51 3hb9 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hb9 s LEU 164 N -4.58 2.26 0.03 -2.67 1.43 -0.56 -5.01 118.68 109.59 3hb9 s LEU 164 Ca 0.06 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3hb9 s LEU 164 Cb -0.02 -0.93 -0.07 0.00 0.03 0.00 0.00 46.19 45.20 3hb9 s LEU 164 CO 0.81 0.09 1.59 -2.16 0.23 0.00 0.00 176.35 176.91 3hb9 s PRO 165 N -1.72 4.22 0.09 1.29 0.04 -1.26 -4.46 135.00 133.19 3hb9 s PRO 165 Ca 0.07 2.22 0.09 0.00 0.04 0.00 0.00 61.00 63.42 3hb9 s PRO 165 Cb -0.10 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 3hb9 s PRO 165 CO 0.04 -0.71 -0.22 0.08 0.04 0.00 0.00 177.00 176.22 3hb9 s VAL 166 N 2.82 1.84 -0.21 -0.36 1.01 -1.26 0.01 120.40 124.24 3hb9 s VAL 166 Ca 0.71 -1.48 -0.39 0.00 0.00 0.00 0.00 61.98 60.82 3hb9 s VAL 166 Cb -0.37 -1.64 -0.16 0.00 0.00 0.00 0.00 36.38 34.22 3hb9 s VAL 166 CO 0.30 0.07 1.69 -0.38 0.00 0.00 0.00 175.10 176.78 3hb9 n ILE 167 N 1.30 0.27 -1.55 2.22 2.08 -1.25 -4.80 119.36 117.62 3hb9 n ILE 167 Ca -0.18 -0.05 -0.35 0.00 0.56 0.00 0.00 62.75 62.73 3hb9 n ILE 167 Cb 0.53 -1.19 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 3hb9 n ILE 167 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3hb9 n PRO 168 N 4.96 1.00 -4.04 0.38 -0.02 -1.26 -4.87 135.00 131.16 3hb9 n PRO 168 Ca 0.25 -0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 3hb9 n PRO 168 Cb 0.15 -3.46 -0.07 0.00 -0.02 0.00 0.00 33.50 30.10 3hb9 n PRO 168 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hb9 s GLY 169 N 12.19 0.75 -0.15 -1.23 0.00 -1.26 -2.63 107.32 114.99 3hb9 s GLY 169 Ca 0.98 -1.10 -0.38 0.00 0.00 0.00 0.00 44.72 44.22 3hb9 s GLY 169 CO 0.25 -0.92 1.70 -0.37 0.00 0.00 0.00 173.10 173.77 3hb9 n THR 170 N -0.29 0.30 -0.15 0.90 5.66 -0.61 -4.87 114.28 115.23 3hb9 n THR 170 Ca -0.03 -0.05 0.02 0.00 -3.05 0.00 0.00 64.05 60.93 3hb9 n THR 170 Cb 0.63 -1.34 0.30 0.00 -1.55 0.00 0.00 70.33 68.38 3hb9 n THR 170 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3hb9 h ASP 171 N 7.19 0.74 -2.37 1.09 2.03 -1.99 -3.43 116.42 119.68 3hb9 h ASP 171 Ca -0.47 -0.02 -0.53 0.00 -0.73 0.00 0.00 57.03 55.28 3hb9 h ASP 171 Cb 1.31 -0.18 -0.06 0.00 -0.83 0.00 0.00 39.33 39.56 3hb9 h ASP 171 CO 0.92 0.54 -0.55 -0.83 -1.03 0.00 0.00 179.24 178.29 3hb9 s GLY 172 N -3.46 1.53 0.32 7.15 0.00 -1.26 -5.06 107.32 106.53 3hb9 s GLY 172 Ca -0.10 -1.38 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 3hb9 s GLY 172 CO 0.77 -1.41 1.16 2.56 0.00 0.00 0.00 173.10 176.18 3hb9 s PRO 173 N -3.58 4.45 -0.62 2.90 0.04 -1.26 -4.84 135.00 132.09 3hb9 s PRO 173 Ca 0.32 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 3hb9 s PRO 173 Cb -0.08 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 3hb9 s PRO 173 CO 0.24 0.00 1.69 0.42 0.04 0.00 0.00 177.00 179.39 3hb9 s ILE 174 N -1.22 3.48 -0.17 0.56 -1.09 -0.60 -4.80 121.20 117.36 3hb9 s ILE 174 Ca 0.48 0.31 0.14 0.00 -2.23 0.00 0.00 60.65 59.35 3hb9 s ILE 174 Cb -0.33 -4.19 0.42 0.00 -1.58 0.00 0.00 42.46 36.78 3hb9 s ILE 174 CO 0.43 -1.11 1.21 0.29 -1.23 0.00 0.00 174.94 174.53 3hb9 n LYS 175 N 9.13 1.30 -3.79 2.79 5.02 -1.26 -4.49 118.16 126.86 3hb9 n LYS 175 Ca 0.16 -3.05 -0.10 0.00 -2.02 0.00 0.00 58.31 53.30 3hb9 n LYS 175 Cb 0.51 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 3hb9 n LYS 175 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hb9 s SER 176 N -3.00 -0.08 0.10 4.39 1.04 -1.26 -5.18 113.70 109.70 3hb9 s SER 176 Ca 0.37 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3hb9 s SER 176 Cb 0.37 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.93 3hb9 s SER 176 CO -0.08 -0.86 0.00 -1.22 0.98 0.00 0.00 173.24 172.05 3hb9 n TYR 177 N -0.20 -0.48 0.00 5.02 0.53 -1.26 -4.76 117.16 116.00 3hb9 n TYR 177 Ca -0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 3hb9 n TYR 177 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.94 3hb9 n TYR 177 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 3hb9 n GLU 178 N -0.13 0.00 0.00 -0.72 4.07 -1.26 -4.87 120.64 117.73 3hb9 n GLU 178 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3hb9 n GLU 178 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3hb9 n GLU 178 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hb9 n LEU 179 N 0.00 0.00 0.21 4.31 7.99 -1.26 -4.62 117.00 123.62 3hb9 n LEU 179 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.16 3hb9 n LEU 179 Cb 0.00 0.00 0.80 0.00 -0.11 0.00 0.00 43.42 44.11 3hb9 n LEU 179 CO 0.00 0.00 1.14 0.00 -1.51 0.00 0.00 177.39 177.02 3hb9 h ALA 180 N 0.00 1.86 -0.01 -1.18 0.00 -1.89 0.40 119.26 118.44 3hb9 h ALA 180 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hb9 h ALA 180 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hb9 h ALA 180 CO 0.00 -0.25 -0.35 1.63 0.00 0.00 0.00 179.25 180.29 3hb9 n LYS 181 N -3.97 1.75 0.00 0.00 5.02 -1.26 -4.37 118.16 115.33 3hb9 n LYS 181 Ca 0.01 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 3hb9 n LYS 181 Cb 0.28 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3hb9 n LYS 181 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3hb9 n GLU 182 N -0.23 0.00 0.07 1.97 2.13 0.12 -4.88 120.64 119.82 3hb9 n GLU 182 Ca 0.06 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.79 3hb9 n GLU 182 Cb 0.32 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.04 3hb9 n GLU 182 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3hb9 h PHE 183 N 0.00 0.43 -3.87 4.31 3.57 -1.87 -3.39 116.94 116.12 3hb9 h PHE 183 Ca 0.00 -0.22 -0.51 0.00 3.53 0.00 0.00 57.97 60.77 3hb9 h PHE 183 Cb 0.00 -0.06 0.04 0.00 2.79 0.00 0.00 35.95 38.73 3hb9 h PHE 183 CO 0.00 1.00 0.53 0.00 -2.23 0.00 0.00 178.31 177.61 3hb9 s ALA 184 N -3.40 3.35 -1.25 2.41 0.00 -1.17 -2.62 121.76 119.08 3hb9 s ALA 184 Ca -0.04 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 3hb9 s ALA 184 Cb 0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3hb9 s ALA 184 CO 0.84 -0.42 0.48 0.39 0.00 0.00 0.00 175.76 177.04 3hb9 n GLU 185 N 0.71 -3.86 0.00 0.00 1.02 -1.26 -4.20 120.64 113.06 3hb9 n GLU 185 Ca 0.01 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3hb9 n GLU 185 Cb 0.44 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 3hb9 n GLU 185 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hb9 n GLU 186 N -3.34 0.00 0.00 3.49 4.07 -1.08 -4.98 120.64 118.80 3hb9 n GLU 186 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 3hb9 n GLU 186 Cb 0.60 -0.09 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 3hb9 n GLU 186 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hb9 n ALA 187 N -2.48 0.00 -2.44 4.31 0.00 -1.09 -5.12 120.51 113.68 3hb9 n ALA 187 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3hb9 n ALA 187 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 3hb9 n ALA 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hb9 s GLY 188 N 0.00 2.54 0.07 0.00 0.00 -1.26 -5.08 107.32 103.60 3hb9 s GLY 188 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 44.72 42.93 3hb9 s GLY 188 CO 0.00 -1.72 1.62 0.74 0.00 0.00 0.00 173.10 173.74 3hb9 h PHE 189 N 1.89 -0.94 -3.26 1.90 -1.00 -1.98 -3.41 116.94 110.14 3hb9 h PHE 189 Ca -0.32 -0.02 -0.57 0.00 2.81 0.00 0.00 57.97 59.88 3hb9 h PHE 189 Cb 1.26 0.32 -0.05 0.00 3.61 0.00 0.00 35.95 41.09 3hb9 h PHE 189 CO 1.60 -0.56 0.97 -1.25 -1.61 0.00 0.00 178.31 177.46 3hb9 s PRO 190 N -6.03 3.86 0.04 1.51 0.04 -1.26 -4.37 135.00 128.79 3hb9 s PRO 190 Ca -0.18 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.01 3hb9 s PRO 190 Cb 0.04 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 3hb9 s PRO 190 CO 0.62 -1.20 -0.16 -0.51 0.04 0.00 0.00 177.00 175.79 3hb9 s LEU 191 N 4.46 2.17 -0.09 -3.56 1.43 -0.42 -1.21 118.68 121.47 3hb9 s LEU 191 Ca 0.55 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3hb9 s LEU 191 Cb -0.14 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3hb9 s LEU 191 CO 0.25 0.06 -0.09 -0.32 0.23 0.00 0.00 176.35 176.48 3hb9 s MET 192 N -1.17 1.53 -0.33 1.70 1.75 0.25 -0.65 119.30 122.37 3hb9 s MET 192 Ca 0.03 -0.29 -0.13 0.00 -1.25 0.00 0.00 55.69 54.05 3hb9 s MET 192 Cb -0.08 -1.47 -0.02 0.00 2.84 0.00 0.00 34.83 36.10 3hb9 s MET 192 CO 0.01 -0.16 0.25 -1.50 -0.65 0.00 0.00 175.02 172.98 3hb9 s ILE 193 N 1.30 5.27 0.01 10.11 2.07 -1.24 -0.22 121.20 138.51 3hb9 s ILE 193 Ca -0.03 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3hb9 s ILE 193 Cb -0.14 -3.70 -0.01 0.00 0.13 0.00 0.00 42.46 38.73 3hb9 s ILE 193 CO -0.04 0.02 -0.12 -0.54 -1.91 0.00 0.00 174.94 172.36 3hb9 s LYS 194 N 1.78 0.85 0.90 3.50 -0.14 -0.59 -4.88 119.74 121.15 3hb9 s LYS 194 Ca 0.07 -0.55 -0.12 0.00 -1.36 0.00 0.00 55.97 54.01 3hb9 s LYS 194 Cb -0.17 -0.82 0.13 0.00 -1.68 0.00 0.00 37.83 35.29 3hb9 s LYS 194 CO 0.11 0.21 1.10 0.00 -0.76 0.00 0.00 175.35 176.01 3hb9 s ALA 195 N -0.58 1.65 -1.38 5.17 0.00 -1.26 -1.87 121.76 123.50 3hb9 s ALA 195 Ca 0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 3hb9 s ALA 195 Cb -0.06 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.04 3hb9 s ALA 195 CO 0.00 -2.29 2.13 0.25 0.00 0.00 0.00 175.76 175.85 3hb9 n THR 196 N -3.81 4.08 0.00 0.00 -2.24 -0.55 -4.80 114.28 106.97 3hb9 n THR 196 Ca 0.06 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 3hb9 n THR 196 Cb 0.57 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 3hb9 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hb9 n SER 197 N 4.50 0.00 0.00 3.42 2.88 -1.26 -4.85 113.62 118.31 3hb9 n SER 197 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 3hb9 n SER 197 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3hb9 n SER 197 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hb9 n ARG 205 N 0.00 0.00 -2.82 -1.46 0.63 -1.26 -4.80 116.66 106.95 3hb9 n ARG 205 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3hb9 n ARG 205 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 3hb9 n ARG 205 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3hb9 s ILE 206 N -0.92 4.84 -0.05 5.15 1.09 -1.26 -3.63 121.20 126.42 3hb9 s ILE 206 Ca 0.00 1.77 0.04 0.00 -1.10 0.00 0.00 60.65 61.35 3hb9 s ILE 206 Cb 0.00 -4.19 -0.03 0.00 -1.06 0.00 0.00 42.46 37.18 3hb9 s ILE 206 CO 0.00 -0.00 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.00 3hb9 s VAL 207 N 2.25 3.02 -0.39 2.92 1.01 0.17 -5.03 120.40 124.36 3hb9 s VAL 207 Ca 0.41 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.76 3hb9 s VAL 207 Cb -0.17 -2.18 0.37 0.00 0.00 0.00 0.00 36.38 34.40 3hb9 s VAL 207 CO 0.13 0.59 0.93 -1.14 0.00 0.00 0.00 175.10 175.61 3hb9 n ARG 208 N 2.30 1.04 -0.84 2.72 0.63 -1.26 -1.30 116.66 119.95 3hb9 n ARG 208 Ca -0.17 -2.84 0.11 0.00 -0.92 0.00 0.00 57.85 54.04 3hb9 n ARG 208 Cb 0.52 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 3hb9 n ARG 208 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3hb9 n GLU 209 N 0.15 -1.69 -2.90 -0.14 4.71 -1.26 -4.99 120.64 114.52 3hb9 n GLU 209 Ca 0.14 1.11 -0.05 0.00 -0.01 0.00 0.00 57.16 58.36 3hb9 n GLU 209 Cb 0.72 -2.06 0.01 0.00 -1.01 0.00 0.00 31.44 29.09 3hb9 n GLU 209 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3hb9 n GLU 210 N -3.12 -2.55 -0.44 3.49 4.71 -1.26 -3.54 120.64 117.93 3hb9 n GLU 210 Ca 0.01 2.18 0.00 0.00 -0.01 0.00 0.00 57.16 59.33 3hb9 n GLU 210 Cb 0.38 -4.38 0.00 0.00 -1.01 0.00 0.00 31.44 26.44 3hb9 n GLU 210 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hb9 n SER 211 N 0.54 0.00 -0.03 1.62 2.88 -1.26 -4.78 113.62 112.58 3hb9 n SER 211 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 3hb9 n SER 211 Cb 0.24 -2.34 -0.11 0.00 -0.75 0.00 0.00 64.21 61.26 3hb9 n SER 211 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3hb9 h GLU 212 N 0.03 0.07 -0.00 -1.46 4.39 -1.93 -1.56 114.58 114.12 3hb9 h GLU 212 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3hb9 h GLU 212 Cb 0.00 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3hb9 h GLU 212 CO 0.00 0.76 0.00 1.25 -1.16 0.00 0.00 179.01 179.86 3hb9 h LEU 213 N -0.59 0.00 0.12 1.33 5.85 -1.86 -2.73 115.31 117.42 3hb9 h LEU 213 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hb9 h LEU 213 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3hb9 h LEU 213 CO 0.02 0.00 -0.06 -0.08 -0.34 0.00 0.00 178.44 177.98 3hb9 h GLU 214 N 0.00 -0.16 -1.56 1.25 4.57 -1.94 -3.35 114.58 113.38 3hb9 h GLU 214 Ca 0.00 0.01 -0.52 0.00 -1.18 0.00 0.00 59.36 57.67 3hb9 h GLU 214 Cb 0.00 0.04 -0.21 0.00 -0.16 0.00 0.00 28.75 28.42 3hb9 h GLU 214 CO -0.00 0.31 0.62 -0.25 -1.18 0.00 0.00 179.01 178.51 3hb9 n ASP 215 N -4.87 6.95 0.00 1.04 8.00 -0.59 -3.55 116.55 123.53 3hb9 n ASP 215 Ca -0.07 -3.40 0.00 0.00 0.71 0.00 0.00 54.79 52.03 3hb9 n ASP 215 Cb 0.27 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 3hb9 n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hb9 n ALA 216 N 0.01 0.00 -1.30 2.24 0.00 -1.06 -4.91 120.51 115.48 3hb9 n ALA 216 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 3hb9 n ALA 216 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 3hb9 n ALA 216 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hb9 n PHE 217 N 0.00 0.98 0.10 0.00 7.35 -1.23 -3.88 117.46 120.78 3hb9 n PHE 217 Ca 0.00 -1.78 0.02 0.00 -0.76 0.00 0.00 57.45 54.93 3hb9 n PHE 217 Cb 0.00 -1.47 -0.03 0.00 0.35 0.00 0.00 39.48 38.33 3hb9 n PHE 217 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3hb9 n HIS 218 N 1.51 0.00 -2.83 -5.13 8.25 -1.26 -4.76 115.22 111.01 3hb9 n HIS 218 Ca 0.47 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.79 3hb9 n HIS 218 Cb 0.69 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.76 3hb9 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hb9 n ARG 219 N -1.35 1.31 -0.08 -0.41 5.12 -1.25 -4.85 116.66 115.15 3hb9 n ARG 219 Ca 0.00 -3.43 -0.06 0.00 -1.93 0.00 0.00 57.85 52.43 3hb9 n ARG 219 Cb 0.08 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 29.74 3hb9 n ARG 219 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hb9 n ALA 220 N 0.02 1.76 -0.10 7.54 0.00 -1.26 -4.10 120.51 124.37 3hb9 n ALA 220 Ca 0.17 -1.08 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 3hb9 n ALA 220 Cb 0.74 -0.24 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 3hb9 n ALA 220 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hb9 n LYS 221 N -2.59 0.76 0.00 0.00 4.01 -1.26 -4.64 118.16 114.44 3hb9 n LYS 221 Ca -0.25 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 3hb9 n LYS 221 Cb 0.99 -1.44 -0.11 0.00 -0.51 0.00 0.00 35.03 33.97 3hb9 n LYS 221 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3hb9 n SER 222 N -2.98 0.57 0.20 4.39 7.64 -1.26 -4.12 113.62 118.06 3hb9 n SER 222 Ca -0.35 0.25 0.06 0.00 1.01 0.00 0.00 58.87 59.83 3hb9 n SER 222 Cb 0.96 0.61 0.43 0.00 -1.01 0.00 0.00 64.21 65.20 3hb9 n SER 222 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hb9 h GLU 223 N 0.00 0.00 -0.65 1.43 4.81 -1.84 -2.01 114.58 116.31 3hb9 h GLU 223 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3hb9 h GLU 223 Cb 1.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3hb9 h GLU 223 CO 0.03 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 3hb9 n ALA 224 N -2.36 2.54 0.24 2.92 0.00 -1.26 -2.99 120.51 119.60 3hb9 n ALA 224 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3hb9 n ALA 224 Cb 0.41 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.90 3hb9 n ALA 224 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hb9 n GLU 225 N -0.12 0.31 -0.12 0.00 -0.58 -0.76 -4.67 120.64 114.69 3hb9 n GLU 225 Ca 0.01 -1.02 -0.21 0.00 -0.42 0.00 0.00 57.16 55.52 3hb9 n GLU 225 Cb 0.20 -1.14 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 3hb9 n GLU 225 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hb9 n LYS 226 N 0.36 0.58 -0.06 3.49 4.76 -1.16 -5.15 118.16 120.98 3hb9 n LYS 226 Ca 0.04 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 3hb9 n LYS 226 Cb 0.20 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 3hb9 n LYS 226 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3hb9 n SER 227 N -3.58 2.48 -0.27 4.39 7.64 -1.26 -5.20 113.62 117.82 3hb9 n SER 227 Ca -0.46 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.42 3hb9 n SER 227 Cb 0.92 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3hb9 n SER 227 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3hb9 n GLU 232 N -3.02 0.00 -4.24 1.43 2.13 -1.26 -5.09 120.64 110.58 3hb9 n GLU 232 Ca -0.20 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.48 3hb9 n GLU 232 Cb 0.69 -0.13 -0.10 0.00 0.27 0.00 0.00 31.44 32.17 3hb9 n GLU 232 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hb9 s VAL 233 N -1.06 0.49 0.15 6.31 -7.23 -1.26 -1.48 120.40 116.33 3hb9 s VAL 233 Ca 0.00 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 3hb9 s VAL 233 Cb 0.00 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.72 3hb9 s VAL 233 CO 0.00 -0.33 0.46 -0.72 -0.31 0.00 0.00 175.10 174.20 3hb9 s TYR 234 N -3.79 -0.19 0.05 2.82 -0.85 -0.78 -1.56 117.35 113.05 3hb9 s TYR 234 Ca 0.28 -0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.76 3hb9 s TYR 234 Cb 0.07 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3hb9 s TYR 234 CO 0.06 -0.79 -0.09 -1.50 -1.52 0.00 0.00 175.55 171.72 3hb9 s ILE 235 N -3.83 3.48 0.05 -3.49 2.07 -1.26 -1.55 121.20 116.67 3hb9 s ILE 235 Ca 0.05 -1.03 -0.01 0.00 -1.41 0.00 0.00 60.65 58.25 3hb9 s ILE 235 Cb 0.01 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 3hb9 s ILE 235 CO -0.09 0.26 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.58 3hb9 s GLU 236 N -1.80 0.57 -0.50 3.50 2.02 0.69 -1.57 118.70 121.61 3hb9 s GLU 236 Ca 0.19 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 3hb9 s GLU 236 Cb -0.11 0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.35 3hb9 s GLU 236 CO 0.11 -0.11 1.23 0.50 0.02 0.00 0.00 175.26 177.00 3hb9 s ARG 237 N -3.45 3.61 -0.32 1.61 3.52 -1.08 0.86 118.95 123.69 3hb9 s ARG 237 Ca 0.03 0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 55.88 3hb9 s ARG 237 Cb 0.04 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 3hb9 s ARG 237 CO -0.08 -1.54 2.27 0.98 -0.81 0.00 0.00 175.30 176.11 3hb9 n TYR 238 N 8.33 1.74 -2.60 5.12 9.36 -0.35 -4.75 117.16 134.01 3hb9 n TYR 238 Ca 0.12 0.02 -0.43 0.00 3.32 0.00 0.00 57.90 60.93 3hb9 n TYR 238 Cb 0.49 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.52 3hb9 n TYR 238 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hb9 s ILE 239 N 8.90 4.21 0.31 2.97 1.10 -1.26 -4.60 121.20 132.83 3hb9 s ILE 239 Ca 1.03 1.24 -0.28 0.00 -0.51 0.00 0.00 60.65 62.13 3hb9 s ILE 239 Cb -0.45 -4.60 -0.09 0.00 0.15 0.00 0.00 42.46 37.47 3hb9 s ILE 239 CO 0.37 -0.99 1.07 -0.62 -2.11 0.00 0.00 174.94 172.66 3hb9 s ASP 240 N 2.45 7.17 -1.23 4.50 -1.08 -1.26 -4.00 116.67 123.23 3hb9 s ASP 240 Ca 0.48 2.18 -0.06 0.00 -0.52 0.00 0.00 52.55 54.63 3hb9 s ASP 240 Cb -0.07 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 3hb9 s ASP 240 CO 0.31 -0.20 0.75 -3.20 0.52 0.00 0.00 175.17 173.35 3hb9 n ASN 241 N 0.90 -3.04 -2.32 -0.34 4.05 -1.26 -5.01 115.26 108.25 3hb9 n ASN 241 Ca 0.00 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.17 3hb9 n ASN 241 Cb 0.46 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.46 3hb9 n ASN 241 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3hb9 n PRO 242 N -4.10 2.56 -3.66 1.20 -0.04 -1.26 -4.89 135.00 124.82 3hb9 n PRO 242 Ca -0.21 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.19 3hb9 n PRO 242 Cb 0.65 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.03 3hb9 n PRO 242 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hb9 s LYS 243 N 0.83 0.49 -0.83 0.54 -0.14 -0.77 -3.75 119.74 116.10 3hb9 s LYS 243 Ca 0.00 1.17 -0.20 0.00 -1.36 0.00 0.00 55.97 55.57 3hb9 s LYS 243 Cb 0.00 0.41 0.10 0.00 -1.68 0.00 0.00 37.83 36.66 3hb9 s LYS 243 CO 0.00 -0.20 1.08 -1.58 -0.76 0.00 0.00 175.35 173.89 3hb9 s HIS 244 N 2.30 2.91 -0.21 3.18 5.65 -1.26 -0.47 115.29 127.40 3hb9 s HIS 244 Ca -0.06 -1.04 -0.05 0.00 0.25 0.00 0.00 55.06 54.15 3hb9 s HIS 244 Cb -0.10 -4.31 -0.03 0.00 -1.18 0.00 0.00 32.58 26.96 3hb9 s HIS 244 CO -0.16 -1.58 0.01 0.42 -0.65 0.00 0.00 174.74 172.79 3hb9 s ILE 245 N 3.35 4.05 0.11 0.89 -1.09 -0.83 0.14 121.20 127.82 3hb9 s ILE 245 Ca 0.29 -0.28 0.10 0.00 -2.23 0.00 0.00 60.65 58.53 3hb9 s ILE 245 Cb -0.09 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 3hb9 s ILE 245 CO -0.02 0.42 -0.24 -1.83 -1.23 0.00 0.00 174.94 172.03 3hb9 s GLU 246 N 1.04 1.32 -0.12 2.79 -1.05 -0.65 -0.51 118.70 121.52 3hb9 s GLU 246 Ca 0.02 -1.24 -0.00 0.00 -0.15 0.00 0.00 54.97 53.60 3hb9 s GLU 246 Cb -0.14 -1.69 -0.02 0.00 -0.44 0.00 0.00 34.13 31.83 3hb9 s GLU 246 CO 0.02 0.40 -0.12 0.08 0.95 0.00 0.00 175.26 176.60 3hb9 s VAL 247 N -1.07 3.20 -0.15 1.83 1.01 0.18 0.18 120.40 125.59 3hb9 s VAL 247 Ca 0.11 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3hb9 s VAL 247 Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3hb9 s VAL 247 CO 0.05 0.53 0.75 -1.58 0.00 0.00 0.00 175.10 174.85 3hb9 s GLN 248 N 0.15 4.31 -0.02 2.72 2.00 -0.74 -1.97 119.66 126.11 3hb9 s GLN 248 Ca -0.06 0.88 0.04 0.00 -2.00 0.00 0.00 55.36 54.23 3hb9 s GLN 248 Cb -0.15 -3.54 -0.01 0.00 0.80 0.00 0.00 33.01 30.11 3hb9 s GLN 248 CO 0.04 -0.21 -0.15 0.08 -0.50 0.00 0.00 175.29 174.56 3hb9 s VAL 249 N 1.76 1.18 -0.05 1.34 1.01 -0.40 0.11 120.40 125.35 3hb9 s VAL 249 Ca 0.36 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3hb9 s VAL 249 Cb -0.17 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3hb9 s VAL 249 CO 0.13 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.81 3hb9 s ILE 250 N -0.16 1.17 0.02 2.22 1.01 -0.34 -0.78 121.20 124.33 3hb9 s ILE 250 Ca 0.02 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3hb9 s ILE 250 Cb -0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3hb9 s ILE 250 CO 0.00 0.35 -0.19 -0.83 0.00 0.00 0.00 174.94 174.28 3hb9 s GLY 251 N 0.36 0.96 0.10 6.18 0.00 -0.93 -0.61 107.32 113.39 3hb9 s GLY 251 Ca -0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 3hb9 s GLY 251 CO 0.03 -0.80 0.13 2.09 0.00 0.00 0.00 173.10 174.55 3hb9 n ASP 252 N 2.24 0.04 -1.41 1.64 3.85 0.49 0.11 116.55 123.51 3hb9 n ASP 252 Ca -0.16 -1.06 0.09 0.00 -0.71 0.00 0.00 54.79 52.95 3hb9 n ASP 252 Cb 0.54 -0.10 0.32 0.00 -1.35 0.00 0.00 41.12 40.53 3hb9 n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hb9 n GLU 253 N -1.27 3.21 -0.02 0.11 1.02 -1.26 -4.20 120.64 118.23 3hb9 n GLU 253 Ca 0.02 -2.54 0.04 0.00 -0.02 0.00 0.00 57.16 54.66 3hb9 n GLU 253 Cb 0.06 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 29.78 3hb9 n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hb9 n HIS 254 N 1.14 0.05 0.00 -0.32 8.25 -1.26 -4.98 115.22 118.11 3hb9 n HIS 254 Ca 0.23 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3hb9 n HIS 254 Cb 0.75 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.85 3hb9 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hb9 n GLY 255 N 0.42 1.91 3.72 -1.41 0.00 -1.26 -5.08 105.19 103.49 3hb9 n GLY 255 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hb9 n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hb9 s ASN 256 N -1.72 7.22 -0.01 1.61 -0.87 -1.26 -4.94 114.94 114.97 3hb9 s ASN 256 Ca 0.00 1.92 0.01 0.00 -1.57 0.00 0.00 52.86 53.22 3hb9 s ASN 256 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 3hb9 s ASN 256 CO 0.00 -0.34 -0.03 -0.63 -2.57 0.00 0.00 177.10 173.53 3hb9 s ILE 257 N 0.74 0.25 0.14 0.60 1.01 -1.26 -0.38 121.20 122.30 3hb9 s ILE 257 Ca 0.54 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.12 3hb9 s ILE 257 Cb -0.27 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 3hb9 s ILE 257 CO 0.30 0.09 -0.07 0.68 0.00 0.00 0.00 174.94 175.94 3hb9 s VAL 258 N 0.10 0.94 0.06 2.92 -7.23 0.22 -4.99 120.40 112.42 3hb9 s VAL 258 Ca -0.01 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3hb9 s VAL 258 Cb -0.03 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3hb9 s VAL 258 CO -0.00 -0.70 -0.01 -1.38 -0.31 0.00 0.00 175.10 172.69 3hb9 s HIS 259 N -3.48 2.99 -0.69 2.82 -3.43 -1.26 -1.20 115.29 111.04 3hb9 s HIS 259 Ca 0.17 -0.01 0.01 0.00 -0.80 0.00 0.00 55.06 54.44 3hb9 s HIS 259 Cb 0.04 -1.57 0.38 0.00 -1.43 0.00 0.00 32.58 30.00 3hb9 s HIS 259 CO 0.00 0.46 1.64 1.28 -2.00 0.00 0.00 174.74 176.12 3hb9 n LEU 260 N 0.89 6.35 0.00 5.38 4.77 0.30 -4.97 117.00 129.72 3hb9 n LEU 260 Ca -0.12 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 3hb9 n LEU 260 Cb 0.52 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3hb9 n LEU 260 CO 0.37 1.97 0.00 0.49 -1.33 0.00 0.00 177.39 178.89 3hb9 n PHE 261 N -0.50 -1.49 -4.17 -1.77 3.01 -1.26 -4.54 117.46 106.74 3hb9 n PHE 261 Ca 0.47 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.69 3hb9 n PHE 261 Cb 0.41 0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 40.06 3hb9 n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hb9 s GLU 262 N 0.00 2.66 -0.13 -1.08 1.03 -1.26 -1.79 118.70 118.13 3hb9 s GLU 262 Ca 0.00 -1.12 0.02 0.00 0.03 0.00 0.00 54.97 53.90 3hb9 s GLU 262 Cb 0.00 -2.44 0.02 0.00 -0.80 0.00 0.00 34.13 30.91 3hb9 s GLU 262 CO 0.00 0.42 -0.17 1.03 -1.33 0.00 0.00 175.26 175.21 3hb9 s ARG 263 N -3.48 2.44 -0.20 -4.83 0.52 0.13 -4.34 118.95 109.18 3hb9 s ARG 263 Ca 0.31 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.60 3hb9 s ARG 263 Cb -0.08 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3hb9 s ARG 263 CO 0.22 -0.10 1.07 0.34 0.02 0.00 0.00 175.30 176.86 3hb9 s ASP 264 N 1.07 7.09 -0.33 0.23 3.68 0.13 -1.63 116.67 126.92 3hb9 s ASP 264 Ca -0.04 1.45 0.08 0.00 2.13 0.00 0.00 52.55 56.18 3hb9 s ASP 264 Cb -0.14 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.24 3hb9 s ASP 264 CO -0.04 -0.65 1.15 0.00 0.13 0.00 0.00 175.17 175.75 3hb9 h SER 266 N 2.37 0.32 -1.49 0.00 0.02 -1.74 -3.42 113.55 109.60 3hb9 h SER 266 Ca 0.29 -0.46 -0.42 0.00 -0.84 0.00 0.00 61.79 60.36 3hb9 h SER 266 Cb 1.33 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 3hb9 h SER 266 CO 0.72 1.39 1.12 -0.69 -1.14 0.00 0.00 176.83 178.23 3hb9 s VAL 267 N -2.62 3.37 0.13 2.27 1.01 -1.25 -3.84 120.40 119.46 3hb9 s VAL 267 Ca -0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 3hb9 s VAL 267 Cb 0.07 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3hb9 s VAL 267 CO 0.84 -0.87 0.36 0.00 0.00 0.00 0.00 175.10 175.43 3hb9 s GLN 268 N 7.12 1.07 -0.17 2.72 -2.07 -1.26 -0.80 119.66 126.27 3hb9 s GLN 268 Ca 0.70 -0.84 -0.01 0.00 -1.82 0.00 0.00 55.36 53.39 3hb9 s GLN 268 Cb -0.11 0.44 -0.10 0.00 -1.09 0.00 0.00 33.01 32.15 3hb9 s GLN 268 CO 0.13 -0.41 -0.17 2.89 -1.32 0.00 0.00 175.29 176.42 3hb9 n ARG 269 N -0.20 0.41 0.00 9.60 1.85 -1.19 -4.33 116.66 122.80 3hb9 n ARG 269 Ca -0.14 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 3hb9 n ARG 269 Cb 0.63 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 3hb9 n ARG 269 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hb9 n ARG 270 N -3.15 0.72 -0.04 2.89 5.12 -1.26 -4.93 116.66 116.01 3hb9 n ARG 270 Ca -0.31 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.61 3hb9 n ARG 270 Cb 0.81 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 32.12 3hb9 n ARG 270 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3hb9 n HIS 271 N 0.00 0.10 -3.77 -1.55 -0.00 -1.26 -4.84 115.22 103.90 3hb9 n HIS 271 Ca 0.00 -0.29 -0.13 0.00 -0.00 0.00 0.00 57.72 57.30 3hb9 n HIS 271 Cb 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 29.99 29.68 3hb9 n HIS 271 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3hb9 s GLN 272 N -0.60 0.28 0.70 1.57 0.74 -1.26 -5.17 119.66 115.93 3hb9 s GLN 272 Ca 0.02 0.41 -0.11 0.00 0.05 0.00 0.00 55.36 55.73 3hb9 s GLN 272 Cb 0.02 0.08 0.01 0.00 1.10 0.00 0.00 33.01 34.22 3hb9 s GLN 272 CO 0.01 -0.07 1.06 0.15 -0.55 0.00 0.00 175.29 175.89 3hb9 s LYS 273 N 0.42 2.88 0.22 1.67 1.02 -1.26 -3.18 119.74 121.50 3hb9 s LYS 273 Ca -0.02 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.82 3hb9 s LYS 273 Cb -0.04 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3hb9 s LYS 273 CO -0.02 -1.11 0.00 0.28 -0.92 0.00 0.00 175.35 173.58 3hb9 n VAL 274 N -3.13 0.44 -4.94 3.17 0.31 -1.09 -4.81 118.33 108.28 3hb9 n VAL 274 Ca 0.07 0.14 -0.26 0.00 -0.01 0.00 0.00 64.34 64.28 3hb9 n VAL 274 Cb 0.54 -0.88 -0.16 0.00 -0.91 0.00 0.00 33.84 32.43 3hb9 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hb9 s VAL 275 N -1.98 1.53 0.04 2.52 1.01 0.02 -4.20 120.40 119.34 3hb9 s VAL 275 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3hb9 s VAL 275 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3hb9 s VAL 275 CO 0.00 0.43 -0.20 -1.61 0.00 0.00 0.00 175.10 173.73 3hb9 s GLU 276 N -0.44 1.31 -0.05 2.72 8.01 -0.78 -3.96 118.70 125.49 3hb9 s GLU 276 Ca 0.07 -0.92 0.01 0.00 0.01 0.00 0.00 54.97 54.15 3hb9 s GLU 276 Cb -0.08 -1.41 0.02 0.00 -4.31 0.00 0.00 34.13 28.36 3hb9 s GLU 276 CO -0.01 0.36 -0.06 0.08 0.01 0.00 0.00 175.26 175.64 3hb9 s VAL 277 N -0.82 0.69 -0.04 2.63 1.01 0.76 -1.29 120.40 123.35 3hb9 s VAL 277 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3hb9 s VAL 277 Cb -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.61 3hb9 s VAL 277 CO 0.02 0.26 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 3hb9 s ALA 278 N 0.96 0.89 1.01 5.51 0.00 -0.20 0.21 121.76 130.15 3hb9 s ALA 278 Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 3hb9 s ALA 278 Cb -0.14 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3hb9 s ALA 278 CO 0.00 0.08 0.17 -0.35 0.00 0.00 0.00 175.76 175.66 3hb9 n PRO 279 N 3.67 -0.61 -2.18 0.00 -0.04 -1.26 0.06 135.00 134.64 3hb9 n PRO 279 Ca -0.22 -0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 62.64 3hb9 n PRO 279 Cb 0.52 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 3hb9 n PRO 279 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hb9 s SER 280 N -1.75 5.84 -0.08 3.54 0.15 -1.26 -4.76 113.70 115.38 3hb9 s SER 280 Ca 0.10 1.93 0.03 0.00 0.70 0.00 0.00 55.95 58.71 3hb9 s SER 280 Cb -0.01 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3hb9 s SER 280 CO 0.07 -1.13 -0.16 -0.69 1.20 0.00 0.00 173.24 172.53 3hb9 s VAL 281 N -2.19 2.82 0.00 4.45 1.01 -1.26 -4.65 120.40 120.58 3hb9 s VAL 281 Ca 0.67 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3hb9 s VAL 281 Cb -0.18 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3hb9 s VAL 281 CO 0.31 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.58 3hb9 n GLY 282 N 2.92 2.87 3.75 4.51 0.00 -1.24 -4.63 105.19 113.37 3hb9 n GLY 282 Ca -0.18 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3hb9 n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hb9 s LEU 283 N 0.00 4.42 0.71 0.99 1.43 -1.26 -5.01 118.68 119.95 3hb9 s LEU 283 Ca 0.00 2.51 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 3hb9 s LEU 283 Cb 0.00 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.63 3hb9 s LEU 283 CO 0.00 -0.56 1.12 -0.94 0.23 0.00 0.00 176.35 176.21 3hb9 s SER 284 N 0.15 4.71 0.56 2.29 1.04 -1.26 -4.89 113.70 116.29 3hb9 s SER 284 Ca 0.55 2.03 0.33 0.00 0.48 0.00 0.00 55.95 59.35 3hb9 s SER 284 Cb -0.38 -2.55 1.58 0.00 0.10 0.00 0.00 66.02 64.77 3hb9 s SER 284 CO 0.42 -1.90 2.08 1.55 0.98 0.00 0.00 173.24 176.37 3hb9 h PRO 285 N -0.36 0.00 -0.04 4.02 0.13 -2.00 -2.42 132.00 131.33 3hb9 h PRO 285 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3hb9 h PRO 285 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hb9 h PRO 285 CO 0.52 0.06 -0.04 1.15 -0.23 0.00 0.00 178.00 179.46 3hb9 h THR 286 N 0.00 1.39 -0.37 1.56 2.02 -2.00 -2.83 112.91 112.67 3hb9 h THR 286 Ca -0.00 -1.21 -0.14 0.00 0.77 0.00 0.00 66.41 65.84 3hb9 h THR 286 Cb 0.38 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3hb9 h THR 286 CO 0.01 0.32 -0.31 0.25 0.37 0.00 0.00 175.52 176.16 3hb9 h LEU 287 N -0.38 0.86 -0.35 2.58 6.46 -1.89 -2.39 115.31 120.20 3hb9 h LEU 287 Ca 0.01 -0.36 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 3hb9 h LEU 287 Cb 0.54 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 3hb9 h LEU 287 CO 0.01 1.10 0.20 -0.09 -0.62 0.00 0.00 178.44 179.04 3hb9 h ARG 288 N 0.70 0.39 0.09 1.25 2.43 -1.53 -2.10 114.38 115.61 3hb9 h ARG 288 Ca 0.08 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3hb9 h ARG 288 Cb 0.86 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3hb9 h ARG 288 CO 0.08 0.26 -0.24 1.96 -1.51 0.00 0.00 179.97 180.51 3hb9 h GLN 289 N 0.40 -0.42 -0.78 0.20 1.08 -1.31 -1.34 115.11 112.94 3hb9 h GLN 289 Ca 0.14 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 3hb9 h GLN 289 Cb 0.02 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 3hb9 h GLN 289 CO -0.07 -0.28 0.51 0.00 -0.95 0.00 0.00 178.83 178.04 3hb9 h ARG 290 N -0.43 0.86 -0.27 1.46 3.08 -1.24 0.30 114.38 118.14 3hb9 h ARG 290 Ca 0.04 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3hb9 h ARG 290 Cb 0.47 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hb9 h ARG 290 CO -0.15 0.57 -0.42 0.82 -1.07 0.00 0.00 179.97 179.72 3hb9 h ILE 291 N 0.89 1.30 -0.47 2.04 2.04 -1.24 -2.25 117.51 119.81 3hb9 h ILE 291 Ca 0.33 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 3hb9 h ILE 291 Cb 0.16 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3hb9 h ILE 291 CO -0.11 0.52 -0.17 0.00 0.00 0.00 0.00 178.15 178.39 3hb9 h ASP 293 N 0.80 0.54 -0.66 0.00 3.32 -0.46 -1.40 116.42 118.55 3hb9 h ASP 293 Ca 0.12 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3hb9 h ASP 293 Cb 0.71 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3hb9 h ASP 293 CO 0.05 0.48 0.42 0.00 -1.72 0.00 0.00 179.24 178.48 3hb9 h ALA 294 N 1.08 0.86 -0.12 3.45 0.00 -1.27 0.51 119.26 123.77 3hb9 h ALA 294 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hb9 h ALA 294 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hb9 h ALA 294 CO -0.02 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.49 3hb9 h ALA 295 N 1.27 0.15 0.08 0.00 0.00 -1.25 -1.18 119.26 118.33 3hb9 h ALA 295 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hb9 h ALA 295 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hb9 h ALA 295 CO -0.09 -0.31 -0.04 0.82 0.00 0.00 0.00 179.25 179.63 3hb9 h ILE 296 N 0.09 1.01 -0.99 0.00 1.08 -0.90 -1.64 117.51 116.16 3hb9 h ILE 296 Ca 0.04 -0.33 0.18 0.00 -0.39 0.00 0.00 64.86 64.36 3hb9 h ILE 296 Cb 0.08 1.23 -0.10 0.00 -3.07 0.00 0.00 36.82 34.96 3hb9 h ILE 296 CO -0.01 0.08 0.61 -0.61 -0.69 0.00 0.00 178.15 177.54 3hb9 h GLN 297 N -0.26 0.73 0.26 2.37 4.15 0.08 0.22 115.11 122.67 3hb9 h GLN 297 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3hb9 h GLN 297 Cb 0.22 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3hb9 h GLN 297 CO 0.02 0.48 -0.13 1.25 -1.93 0.00 0.00 178.83 178.52 3hb9 h LEU 298 N 0.75 -0.30 -1.14 -2.39 5.85 -0.99 -2.41 115.31 114.68 3hb9 h LEU 298 Ca 0.55 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 3hb9 h LEU 298 Cb 0.87 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3hb9 h LEU 298 CO -0.33 0.15 -0.27 0.24 -0.34 0.00 0.00 178.44 177.90 3hb9 h MET 299 N -0.86 0.26 -0.38 1.25 2.86 -0.83 -2.17 114.93 115.06 3hb9 h MET 299 Ca -0.04 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 3hb9 h MET 299 Cb 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3hb9 h MET 299 CO 0.06 0.52 -0.36 1.49 1.06 0.00 0.00 176.91 179.68 3hb9 h GLU 300 N 0.24 0.90 -0.52 1.72 4.81 -0.67 0.95 114.58 122.00 3hb9 h GLU 300 Ca 0.04 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 3hb9 h GLU 300 Cb 0.61 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3hb9 h GLU 300 CO 0.04 1.11 0.06 -0.97 -0.73 0.00 0.00 179.01 178.52 3hb9 h ASN 301 N 0.74 0.80 -0.59 1.04 -1.24 -0.87 -2.66 115.58 112.80 3hb9 h ASN 301 Ca 0.07 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.90 3hb9 h ASN 301 Cb 0.95 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.78 3hb9 h ASN 301 CO 0.09 0.83 0.00 2.30 -1.29 0.00 0.00 177.43 179.36 3hb9 n ILE 302 N -4.23 1.77 -3.60 2.57 -6.64 -0.92 -4.99 119.36 103.32 3hb9 n ILE 302 Ca 0.03 -1.24 -0.28 0.00 -1.77 0.00 0.00 62.75 59.49 3hb9 n ILE 302 Cb 0.27 0.14 0.05 0.00 -1.44 0.00 0.00 39.64 38.67 3hb9 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3hb9 n LYS 303 N 0.94 -1.39 -2.40 6.28 5.02 -0.75 -4.91 118.16 120.95 3hb9 n LYS 303 Ca 0.24 0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 56.70 3hb9 n LYS 303 Cb 0.84 -4.41 -0.03 0.00 -0.02 0.00 0.00 35.03 31.41 3hb9 n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hb9 s TYR 304 N -3.43 3.24 0.03 2.13 6.14 0.25 -5.00 117.35 120.71 3hb9 s TYR 304 Ca 0.46 1.61 0.08 0.00 0.64 0.00 0.00 57.07 59.85 3hb9 s TYR 304 Cb -0.15 -3.31 -0.03 0.00 0.42 0.00 0.00 41.96 38.90 3hb9 s TYR 304 CO 0.84 -0.98 -0.23 0.08 0.64 0.00 0.00 175.55 175.90 3hb9 s VAL 305 N -1.41 1.87 0.02 3.14 1.01 -1.26 -4.49 120.40 119.28 3hb9 s VAL 305 Ca 0.54 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3hb9 s VAL 305 Cb -0.29 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3hb9 s VAL 305 CO 0.37 0.33 0.00 -3.20 0.00 0.00 0.00 175.10 172.59 3hb9 n ASN 306 N 1.95 -3.05 -4.73 3.32 2.85 0.30 -3.65 115.26 112.25 3hb9 n ASN 306 Ca -0.17 0.11 -0.41 0.00 -0.11 0.00 0.00 54.58 54.00 3hb9 n ASN 306 Cb 0.53 -0.31 -0.04 0.00 1.24 0.00 0.00 39.78 41.20 3hb9 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hb9 s ALA 307 N -1.49 3.34 0.19 5.20 0.00 -1.26 -2.19 121.76 125.54 3hb9 s ALA 307 Ca 0.00 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3hb9 s ALA 307 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hb9 s ALA 307 CO 0.00 -0.22 0.36 0.20 0.00 0.00 0.00 175.76 176.10 3hb9 s GLY 308 N 0.22 0.40 -0.05 0.00 0.00 0.04 -3.40 107.32 104.53 3hb9 s GLY 308 Ca 0.51 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.48 3hb9 s GLY 308 CO 0.32 -0.70 -0.12 -1.59 0.00 0.00 0.00 173.10 171.01 3hb9 s THR 309 N -3.96 1.07 -0.21 0.90 2.01 -0.27 -1.27 115.64 113.90 3hb9 s THR 309 Ca 0.17 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 3hb9 s THR 309 Cb 0.02 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 3hb9 s THR 309 CO 0.01 0.33 0.04 -0.69 -0.69 0.00 0.00 174.62 173.63 3hb9 s VAL 310 N 0.37 4.32 -0.16 3.82 1.01 -0.83 -0.43 120.40 128.50 3hb9 s VAL 310 Ca -0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3hb9 s VAL 310 Cb -0.12 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 3hb9 s VAL 310 CO 0.02 0.40 0.01 -1.61 0.00 0.00 0.00 175.10 173.92 3hb9 s GLU 311 N 1.06 3.72 0.17 2.72 2.02 -0.02 -0.64 118.70 127.73 3hb9 s GLU 311 Ca 0.03 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.69 3hb9 s GLU 311 Cb -0.14 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 3hb9 s GLU 311 CO 0.03 0.32 -0.19 -0.06 0.02 0.00 0.00 175.26 175.38 3hb9 s PHE 312 N 0.19 1.88 -0.13 1.61 0.40 0.33 -0.59 117.98 121.68 3hb9 s PHE 312 Ca 0.01 -0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 3hb9 s PHE 312 Cb -0.13 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 3hb9 s PHE 312 CO 0.02 0.36 -0.12 -0.51 0.70 0.00 0.00 175.22 175.67 3hb9 s LEU 313 N -2.69 2.80 -0.15 -0.37 1.02 -0.22 -1.97 118.68 117.11 3hb9 s LEU 313 Ca 0.17 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 3hb9 s LEU 313 Cb -0.06 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.50 3hb9 s LEU 313 CO 0.07 0.17 -0.11 -0.69 0.02 0.00 0.00 176.35 175.81 3hb9 s VAL 314 N 0.31 3.14 -0.32 -1.59 1.01 0.39 -0.75 120.40 122.58 3hb9 s VAL 314 Ca -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3hb9 s VAL 314 Cb -0.15 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.00 3hb9 s VAL 314 CO 0.05 0.51 0.14 -0.55 0.00 0.00 0.00 175.10 175.25 3hb9 s SER 315 N 0.55 3.68 0.16 3.32 0.15 -0.95 -1.85 113.70 118.76 3hb9 s SER 315 Ca -0.07 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.88 3hb9 s SER 315 Cb -0.15 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 3hb9 s SER 315 CO 0.03 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3hb9 n GLY 317 N 4.74 1.18 0.20 9.45 0.00 -1.26 -1.13 105.19 118.37 3hb9 n GLY 317 Ca -0.00 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.38 3hb9 n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb9 n ASP 318 N 5.43 1.18 -4.06 1.61 8.00 -1.26 -4.97 116.55 122.47 3hb9 n ASP 318 Ca 0.00 -2.27 -0.35 0.00 0.71 0.00 0.00 54.79 52.88 3hb9 n ASP 318 Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3hb9 n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hb9 s GLU 319 N -1.23 2.58 0.31 -1.24 0.41 -0.28 -5.08 118.70 114.18 3hb9 s GLU 319 Ca 0.12 -2.73 -0.19 0.00 -0.41 0.00 0.00 54.97 51.77 3hb9 s GLU 319 Cb 0.10 -3.68 -0.09 0.00 -1.78 0.00 0.00 34.13 28.68 3hb9 s GLU 319 CO 0.01 -1.19 0.79 -0.59 -0.49 0.00 0.00 175.26 173.80 3hb9 s PHE 320 N -0.41 3.48 0.00 1.61 -0.71 -1.26 -2.23 117.98 118.46 3hb9 s PHE 320 Ca 0.19 1.40 0.02 0.00 -1.04 0.00 0.00 56.93 57.51 3hb9 s PHE 320 Cb -0.18 -2.66 -0.01 0.00 -1.21 0.00 0.00 43.02 38.96 3hb9 s PHE 320 CO -0.05 0.14 -0.07 -0.06 -1.34 0.00 0.00 175.22 173.84 3hb9 s PHE 321 N -1.84 0.67 0.20 3.49 0.40 0.07 -4.72 117.98 116.25 3hb9 s PHE 321 Ca 0.52 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 3hb9 s PHE 321 Cb -0.13 -0.42 -0.09 0.00 0.51 0.00 0.00 43.02 42.89 3hb9 s PHE 321 CO 0.18 -0.02 1.29 0.12 0.70 0.00 0.00 175.22 177.50 3hb9 s PHE 322 N -0.32 3.28 -0.01 0.36 2.19 0.10 -1.05 117.98 122.53 3hb9 s PHE 322 Ca 0.01 1.26 -0.03 0.00 0.33 0.00 0.00 56.93 58.50 3hb9 s PHE 322 Cb -0.04 -3.57 -0.01 0.00 -1.31 0.00 0.00 43.02 38.09 3hb9 s PHE 322 CO -0.00 -1.76 -0.07 -0.89 1.83 0.00 0.00 175.22 174.33 3hb9 n ILE 323 N 2.57 0.61 -3.90 3.12 2.08 0.24 -3.91 119.36 120.18 3hb9 n ILE 323 Ca 0.06 0.25 -0.08 0.00 0.56 0.00 0.00 62.75 63.54 3hb9 n ILE 323 Cb 0.43 -1.52 -0.03 0.00 -0.75 0.00 0.00 39.64 37.77 3hb9 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hb9 s GLU 324 N -1.63 1.68 -0.10 0.38 -1.05 -1.22 -4.92 118.70 111.86 3hb9 s GLU 324 Ca -0.05 -1.07 0.04 0.00 -0.15 0.00 0.00 54.97 53.74 3hb9 s GLU 324 Cb 0.01 0.56 -0.00 0.00 -0.44 0.00 0.00 34.13 34.25 3hb9 s GLU 324 CO 0.08 -0.75 -0.23 0.08 0.95 0.00 0.00 175.26 175.40 3hb9 s VAL 325 N -3.95 2.19 -0.51 1.83 1.01 -1.26 -0.84 120.40 118.87 3hb9 s VAL 325 Ca 0.15 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3hb9 s VAL 325 Cb -0.04 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.56 3hb9 s VAL 325 CO 0.07 0.56 0.62 0.20 0.00 0.00 0.00 175.10 176.55 3hb9 s ASN 326 N 0.24 6.22 0.00 3.32 0.01 0.42 -4.88 114.94 120.27 3hb9 s ASN 326 Ca -0.15 -0.92 -0.03 0.00 -0.71 0.00 0.00 52.86 51.05 3hb9 s ASN 326 Cb -0.17 -2.29 -0.12 0.00 0.41 0.00 0.00 41.25 39.08 3hb9 s ASN 326 CO 0.08 -0.89 2.56 -0.81 -1.51 0.00 0.00 177.10 176.53 3hb9 n PRO 327 N 6.15 1.35 -2.30 -0.60 -0.04 -1.26 -1.11 135.00 137.20 3hb9 n PRO 327 Ca -0.07 -0.45 -0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3hb9 n PRO 327 Cb 0.45 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3hb9 n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hb9 n ARG 328 N 2.04 0.17 -1.53 0.54 -4.01 -1.22 -4.50 116.66 108.16 3hb9 n ARG 328 Ca 0.19 -0.42 -0.31 0.00 -1.04 0.00 0.00 57.85 56.28 3hb9 n ARG 328 Cb 0.64 0.59 0.07 0.00 -3.04 0.00 0.00 32.46 30.72 3hb9 n ARG 328 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3hb9 s VAL 329 N -2.33 3.57 0.13 8.89 1.01 -1.26 -4.29 120.40 126.13 3hb9 s VAL 329 Ca 0.08 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.64 3hb9 s VAL 329 Cb -0.01 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3hb9 s VAL 329 CO 0.01 -0.67 -0.15 -1.10 0.00 0.00 0.00 175.10 173.19 3hb9 s GLN 330 N -5.07 1.09 0.39 2.72 -0.21 -1.26 -4.65 119.66 112.66 3hb9 s GLN 330 Ca 0.59 -1.28 0.14 0.00 0.02 0.00 0.00 55.36 54.83 3hb9 s GLN 330 Cb -0.15 -1.02 0.97 0.00 1.00 0.00 0.00 33.01 33.82 3hb9 s GLN 330 CO 0.55 0.20 1.85 0.28 -2.12 0.00 0.00 175.29 176.04 3hb9 h VAL 331 N 3.45 0.72 -0.45 1.09 2.07 -1.99 -2.20 116.25 118.94 3hb9 h VAL 331 Ca -0.40 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 3hb9 h VAL 331 Cb 1.20 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3hb9 h VAL 331 CO 0.51 0.10 0.15 -1.84 0.02 0.00 0.00 177.57 176.51 3hb9 n GLU 332 N -4.56 2.73 0.16 1.57 0.00 -1.26 -4.37 120.64 114.92 3hb9 n GLU 332 Ca 0.20 -1.87 0.04 0.00 0.00 0.00 0.00 57.16 55.53 3hb9 n GLU 332 Cb 0.63 -1.87 0.20 0.00 0.00 0.00 0.00 31.44 30.40 3hb9 n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hb9 h HIS 333 N 1.71 0.00 -0.74 -1.84 2.07 -1.82 -3.22 115.15 111.30 3hb9 h HIS 333 Ca 0.15 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.75 3hb9 h HIS 333 Cb 1.68 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.61 3hb9 h HIS 333 CO 0.78 0.47 0.49 1.15 -3.07 0.00 0.00 177.93 177.75 3hb9 h THR 334 N 0.00 0.98 -0.29 6.12 2.02 -1.84 -2.64 112.91 117.25 3hb9 h THR 334 Ca -0.00 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3hb9 h THR 334 Cb 1.13 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3hb9 h THR 334 CO 0.06 0.13 -0.08 -0.29 0.37 0.00 0.00 175.52 175.72 3hb9 h ILE 335 N 0.72 1.21 -0.07 3.11 6.09 -1.92 -1.12 117.51 125.54 3hb9 h ILE 335 Ca 0.33 -0.90 -0.05 0.00 -1.37 0.00 0.00 64.86 62.87 3hb9 h ILE 335 Cb 0.36 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.72 3hb9 h ILE 335 CO -0.12 0.30 -0.16 0.74 -3.07 0.00 0.00 178.15 175.84 3hb9 h THR 336 N 0.45 1.42 -1.00 2.19 2.02 -1.67 -3.25 112.91 113.06 3hb9 h THR 336 Ca 0.09 -1.49 0.21 0.00 0.77 0.00 0.00 66.41 66.00 3hb9 h THR 336 Cb 0.42 2.22 -0.11 0.00 -1.74 0.00 0.00 68.15 68.93 3hb9 h THR 336 CO 0.02 0.42 0.61 -0.33 0.37 0.00 0.00 175.52 176.61 3hb9 h GLU 337 N -0.25 0.64 -0.33 6.66 5.08 -1.13 -0.28 114.58 124.96 3hb9 h GLU 337 Ca 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3hb9 h GLU 337 Cb 0.75 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3hb9 h GLU 337 CO 0.04 0.42 -0.37 0.52 -1.00 0.00 0.00 179.01 178.62 3hb9 h MET 338 N 0.66 0.77 0.00 2.33 2.86 -1.27 0.31 114.93 120.58 3hb9 h MET 338 Ca 0.59 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hb9 h MET 338 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3hb9 h MET 338 CO -0.38 1.01 -0.91 -0.39 1.06 0.00 0.00 176.91 177.30 3hb9 h VAL 339 N 0.64 0.03 0.00 -2.22 -1.51 -1.43 -3.38 116.25 108.38 3hb9 h VAL 339 Ca 0.06 -1.06 -0.35 0.00 -1.23 0.00 0.00 66.70 64.12 3hb9 h VAL 339 Cb 0.91 1.59 -0.07 0.00 -2.13 0.00 0.00 31.29 31.60 3hb9 h VAL 339 CO 0.08 0.02 -2.32 0.35 -1.23 0.00 0.00 177.57 174.47 3hb9 n THR 340 N -2.74 1.32 -0.38 7.19 -2.24 -0.18 -0.83 114.28 116.42 3hb9 n THR 340 Ca -0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hb9 n THR 340 Cb 0.56 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3hb9 n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hb9 n GLY 341 N 1.92 0.81 3.72 3.38 0.00 0.10 -4.79 105.19 110.33 3hb9 n GLY 341 Ca -0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3hb9 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 342 N -2.83 5.34 -0.90 -0.61 1.09 -1.24 -5.03 121.20 117.02 3hb9 s ILE 342 Ca 0.00 0.43 -0.24 0.00 -1.10 0.00 0.00 60.65 59.74 3hb9 s ILE 342 Cb 0.00 -3.58 0.05 0.00 -1.06 0.00 0.00 42.46 37.87 3hb9 s ILE 342 CO 0.00 0.39 1.33 -0.62 -0.10 0.00 0.00 174.94 175.95 3hb9 s ASP 343 N 0.50 6.39 0.13 3.58 3.68 -1.26 -4.38 116.67 125.30 3hb9 s ASP 343 Ca 0.13 -1.17 -0.25 0.00 2.13 0.00 0.00 52.55 53.39 3hb9 s ASP 343 Cb -0.12 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.76 3hb9 s ASP 343 CO 0.02 -1.56 1.64 0.40 0.13 0.00 0.00 175.17 175.80 3hb9 h ILE 344 N 6.42 0.43 -0.22 4.11 2.04 -1.96 -0.29 117.51 128.04 3hb9 h ILE 344 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hb9 h ILE 344 Cb 1.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3hb9 h ILE 344 CO 1.34 0.00 0.14 0.58 0.00 0.00 0.00 178.15 180.20 3hb9 h VAL 345 N -0.37 1.07 -0.78 1.67 2.07 -1.98 0.94 116.25 118.88 3hb9 h VAL 345 Ca 0.07 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3hb9 h VAL 345 Cb 0.46 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3hb9 h VAL 345 CO -0.24 0.07 0.50 0.50 0.02 0.00 0.00 177.57 178.43 3hb9 h LYS 346 N 0.28 0.97 -0.33 1.57 3.64 -1.88 -1.20 116.57 119.62 3hb9 h LYS 346 Ca 0.08 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hb9 h LYS 346 Cb -0.01 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3hb9 h LYS 346 CO -0.02 0.64 0.05 1.15 -2.27 0.00 0.00 179.45 179.00 3hb9 h THR 347 N 1.00 1.17 0.19 1.00 2.02 -0.39 -1.77 112.91 116.13 3hb9 h THR 347 Ca 0.31 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hb9 h THR 347 Cb -0.03 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hb9 h THR 347 CO -0.10 0.22 -0.19 1.56 0.37 0.00 0.00 175.52 177.38 3hb9 h GLN 348 N 0.48 -0.40 -0.68 6.66 4.20 0.38 0.06 115.11 125.79 3hb9 h GLN 348 Ca 0.11 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.87 3hb9 h GLN 348 Cb 0.24 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3hb9 h GLN 348 CO 0.00 -0.27 0.44 0.82 -0.67 0.00 0.00 178.83 179.15 3hb9 h ILE 349 N -0.42 1.12 -0.46 2.54 2.04 -1.14 -1.44 117.51 119.75 3hb9 h ILE 349 Ca 0.00 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3hb9 h ILE 349 Cb 0.39 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3hb9 h ILE 349 CO -0.05 0.16 0.10 -0.07 0.00 0.00 0.00 178.15 178.29 3hb9 h LEU 350 N 0.87 0.70 -0.75 1.44 3.38 -1.11 -1.00 115.31 118.84 3hb9 h LEU 350 Ca 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hb9 h LEU 350 Cb -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3hb9 h LEU 350 CO -0.09 0.76 0.41 0.58 0.09 0.00 0.00 178.44 180.19 3hb9 h VAL 351 N 0.61 1.23 0.00 1.22 2.07 -0.79 -0.40 116.25 120.19 3hb9 h VAL 351 Ca 0.14 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3hb9 h VAL 351 Cb 0.34 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hb9 h VAL 351 CO 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 177.57 177.73 3hb9 h ALA 352 N 1.21 1.64 -0.04 1.67 0.00 -0.96 -1.37 119.26 121.41 3hb9 h ALA 352 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hb9 h ALA 352 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hb9 h ALA 352 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3hb9 n ALA 353 N -2.44 2.61 -0.52 0.00 0.00 -0.41 -4.89 120.51 114.86 3hb9 n ALA 353 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3hb9 n ALA 353 Cb 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3hb9 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 354 N 0.98 0.75 3.75 0.00 0.00 -0.52 -4.47 105.19 105.68 3hb9 n GLY 354 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hb9 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb9 s ALA 355 N -2.51 3.57 0.28 4.61 0.00 -0.27 -4.88 121.76 122.55 3hb9 s ALA 355 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3hb9 s ALA 355 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3hb9 s ALA 355 CO 0.00 -0.65 1.03 0.34 0.00 0.00 0.00 175.76 176.49 3hb9 s ASP 356 N 0.17 7.36 0.21 0.00 -1.08 -1.26 -4.40 116.67 117.68 3hb9 s ASP 356 Ca 0.56 2.13 -0.09 0.00 -0.52 0.00 0.00 52.55 54.62 3hb9 s ASP 356 Cb -0.40 -2.62 0.31 0.00 -1.46 0.00 0.00 42.92 38.76 3hb9 s ASP 356 CO 0.43 -0.06 1.70 -0.07 0.52 0.00 0.00 175.17 177.69 3hb9 h LEU 357 N 3.80 -0.04 -2.34 -1.34 3.38 -1.94 -2.39 115.31 114.44 3hb9 h LEU 357 Ca -0.46 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3hb9 h LEU 357 Cb 1.21 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3hb9 h LEU 357 CO 0.67 -0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.67 3hb9 n PHE 357 N -5.15 1.00 0.00 1.13 0.99 -1.26 -0.69 117.46 113.48 3hb9 n PHE 357 Ca 0.09 -0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.11 3hb9 n PHE 357 Cb 0.34 -0.12 0.00 0.00 -1.00 0.00 0.00 39.48 38.70 3hb9 n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 357 N 1.15 -0.99 0.09 1.37 0.00 -0.90 -4.83 105.19 101.07 3hb9 n GLY 357 Ca 0.20 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.71 3hb9 n GLY 357 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hb9 n GLU 358 N 0.00 0.63 -0.07 1.61 -0.58 -1.26 -3.29 120.64 117.67 3hb9 n GLU 358 Ca 0.00 0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 3hb9 n GLU 358 Cb 0.00 -1.76 -0.13 0.00 -0.57 0.00 0.00 31.44 28.98 3hb9 n GLU 358 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3hb9 h GLU 359 N 0.00 0.00 -0.04 3.49 3.07 -1.93 -3.39 114.58 115.79 3hb9 h GLU 359 Ca -0.13 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.66 3hb9 h GLU 359 Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 3hb9 h GLU 359 CO 0.03 0.97 -0.25 0.82 -1.40 0.00 0.00 179.01 179.18 3hb9 h ILE 360 N -1.00 1.47 -5.96 3.13 2.04 -1.78 -3.48 117.51 111.93 3hb9 h ILE 360 Ca -0.01 -1.76 -0.41 0.00 1.00 0.00 0.00 64.86 63.68 3hb9 h ILE 360 Cb 0.98 2.50 0.09 0.00 -0.74 0.00 0.00 36.82 39.64 3hb9 h ILE 360 CO -0.00 0.49 -0.73 0.59 0.00 0.00 0.00 178.15 178.49 3hb9 n ASN 361 N -4.50 -4.63 -4.65 1.72 5.03 -1.11 -4.93 115.26 102.18 3hb9 n ASN 361 Ca -0.09 -0.65 -0.42 0.00 0.87 0.00 0.00 54.58 54.29 3hb9 n ASN 361 Cb 0.48 -4.64 -0.03 0.00 -1.02 0.00 0.00 39.78 34.57 3hb9 n ASN 361 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3hb9 s MET 362 N -6.20 4.03 0.50 3.52 -1.94 0.14 -4.97 119.30 114.38 3hb9 s MET 362 Ca 0.44 2.23 -0.23 0.00 -1.71 0.00 0.00 55.69 56.42 3hb9 s MET 362 Cb -0.20 -4.08 -0.07 0.00 2.01 0.00 0.00 34.83 32.49 3hb9 s MET 362 CO 0.77 -1.04 1.40 -0.35 -0.01 0.00 0.00 175.02 175.79 3hb9 n PRO 362 N 7.46 1.97 -1.14 2.03 -0.04 -1.26 -4.62 135.00 139.40 3hb9 n PRO 362 Ca 0.19 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 64.02 3hb9 n PRO 362 Cb 0.43 -2.61 0.11 0.00 -0.04 0.00 0.00 33.50 31.39 3hb9 n PRO 362 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hb9 n GLN 363 N -0.63 0.21 -0.26 0.54 -0.06 -1.26 -4.62 117.38 111.30 3hb9 n GLN 363 Ca 0.08 0.14 -0.06 0.00 -2.00 0.00 0.00 57.00 55.15 3hb9 n GLN 363 Cb 0.43 -2.27 -0.02 0.00 -4.06 0.00 0.00 30.24 24.32 3hb9 n GLN 363 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 3hb9 h GLN 364 N -0.79 -0.14 0.00 3.69 5.75 -1.94 0.12 115.11 121.80 3hb9 h GLN 364 Ca -0.46 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3hb9 h GLN 364 Cb 1.31 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.89 3hb9 h GLN 364 CO 0.45 -0.09 0.00 1.63 -2.65 0.00 0.00 178.83 178.16 3hb9 n LYS 365 N -5.41 0.12 0.00 1.69 5.02 -1.26 -1.78 118.16 116.54 3hb9 n LYS 365 Ca 0.04 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3hb9 n LYS 365 Cb 0.35 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.13 3hb9 n LYS 365 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hb9 n ASP 366 N -1.42 0.85 -4.72 4.39 8.00 0.39 -4.85 116.55 119.20 3hb9 n ASP 366 Ca 0.07 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.51 3hb9 n ASP 366 Cb 0.23 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 3hb9 n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hb9 s ILE 367 N -2.75 4.88 0.20 0.53 1.01 -0.73 -4.87 121.20 119.47 3hb9 s ILE 367 Ca 0.17 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 3hb9 s ILE 367 Cb 0.18 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3hb9 s ILE 367 CO 0.62 0.23 0.14 0.42 0.00 0.00 0.00 174.94 176.35 3hb9 s THR 368 N 0.72 0.00 -0.33 2.92 -4.23 -1.26 -5.03 115.64 108.42 3hb9 s THR 368 Ca 0.45 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 3hb9 s THR 368 Cb -0.20 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3hb9 s THR 368 CO 0.24 0.00 0.11 0.42 -0.54 0.00 0.00 174.62 174.86 3hb9 s THR 369 N -4.14 3.97 -0.29 3.99 -4.23 -1.26 -4.11 115.64 109.58 3hb9 s THR 369 Ca 0.39 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 59.73 3hb9 s THR 369 Cb 0.07 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 3hb9 s THR 369 CO 0.12 -0.11 0.68 -0.22 -0.54 0.00 0.00 174.62 174.56 3hb9 s LEU 370 N 1.46 4.10 0.00 4.79 2.96 -0.01 -4.95 118.68 127.03 3hb9 s LEU 370 Ca 0.00 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3hb9 s LEU 370 Cb -0.19 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.58 3hb9 s LEU 370 CO 0.03 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 3hb9 n GLY 371 N 4.24 0.92 3.09 7.98 0.00 -1.26 -4.54 105.19 115.63 3hb9 n GLY 371 Ca 0.01 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 3hb9 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hb9 s TYR 372 N 0.00 1.09 -0.05 1.61 1.51 -0.16 -4.53 117.35 116.83 3hb9 s TYR 372 Ca 0.00 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3hb9 s TYR 372 Cb 0.00 -0.68 -0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3hb9 s TYR 372 CO 0.00 -0.00 -0.17 0.00 -1.11 0.00 0.00 175.55 174.27 3hb9 s ALA 373 N -0.53 1.54 -0.05 3.71 0.00 0.11 -2.25 121.76 124.29 3hb9 s ALA 373 Ca 0.03 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.35 3hb9 s ALA 373 Cb -0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3hb9 s ALA 373 CO 0.00 0.26 -0.21 0.42 0.00 0.00 0.00 175.76 176.24 3hb9 s ILE 374 N 0.11 1.74 -0.03 0.00 1.01 -0.38 -1.03 121.20 122.62 3hb9 s ILE 374 Ca -0.06 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3hb9 s ILE 374 Cb -0.12 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3hb9 s ILE 374 CO 0.03 0.49 -0.21 -1.58 0.00 0.00 0.00 174.94 173.67 3hb9 s GLN 375 N -0.02 1.89 0.02 2.79 0.74 -0.41 -1.12 119.66 123.56 3hb9 s GLN 375 Ca -0.05 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.64 3hb9 s GLN 375 Cb -0.13 -1.72 -0.01 0.00 1.10 0.00 0.00 33.01 32.25 3hb9 s GLN 375 CO 0.03 0.37 -0.06 0.00 -0.55 0.00 0.00 175.29 175.08 3hb9 s ARG 377 N -0.75 3.89 -0.36 0.00 0.52 -1.26 -1.25 118.95 119.74 3hb9 s ARG 377 Ca -0.03 0.28 -0.10 0.00 -0.52 0.00 0.00 55.73 55.35 3hb9 s ARG 377 Cb -0.05 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.19 3hb9 s ARG 377 CO 0.00 0.62 0.18 0.42 0.02 0.00 0.00 175.30 176.55 3hb9 s ILE 378 N -0.79 4.45 0.00 1.52 1.01 0.74 -4.96 121.20 123.18 3hb9 s ILE 378 Ca 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hb9 s ILE 378 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3hb9 s ILE 378 CO 0.10 -0.19 0.00 0.35 0.00 0.00 0.00 174.94 175.20 3hb9 n THR 379 N 4.97 0.00 -0.53 2.92 -2.24 -1.26 -1.03 114.28 117.11 3hb9 n THR 379 Ca -0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3hb9 n THR 379 Cb 0.46 -0.53 0.27 0.00 -2.10 0.00 0.00 70.33 68.43 3hb9 n THR 379 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hb9 n THR 380 N -0.31 1.58 -2.06 4.28 -2.24 -1.26 -3.76 114.28 110.50 3hb9 n THR 380 Ca 0.00 -1.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 3hb9 n THR 380 Cb 0.00 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 3hb9 n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hb9 s GLU 381 N -1.68 4.23 -0.47 -0.78 2.02 -1.26 -3.14 118.70 117.61 3hb9 s GLU 381 Ca 0.41 2.15 -0.24 0.00 0.02 0.00 0.00 54.97 57.31 3hb9 s GLU 381 Cb 0.26 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.87 3hb9 s GLU 381 CO 0.20 -0.69 0.85 0.34 0.02 0.00 0.00 175.26 175.98 3hb9 s ASP 382 N 2.32 6.42 0.48 -0.19 2.15 -1.08 -3.19 116.67 123.60 3hb9 s ASP 382 Ca 0.69 -0.09 0.32 0.00 0.43 0.00 0.00 52.55 53.90 3hb9 s ASP 382 Cb -0.35 -2.41 1.38 0.00 -0.30 0.00 0.00 42.92 41.24 3hb9 s ASP 382 CO 0.29 -1.01 1.95 -0.65 -0.17 0.00 0.00 175.17 175.58 3hb9 h PRO 383 N 9.06 0.00 0.00 4.34 0.11 -1.93 -0.78 132.00 142.81 3hb9 h PRO 383 Ca -0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 3hb9 h PRO 383 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hb9 h PRO 383 CO 1.00 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 178.29 3hb9 h LEU 384 N 0.00 0.00 -6.97 2.35 4.07 -1.92 -3.39 115.31 109.45 3hb9 h LEU 384 Ca 0.00 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.34 3hb9 h LEU 384 Cb 0.40 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.73 3hb9 h LEU 384 CO 0.00 0.43 -0.68 0.21 -1.08 0.00 0.00 178.44 177.32 3hb9 s ASN 385 N -6.45 3.92 -0.63 -0.43 2.47 -0.63 -4.95 114.94 108.24 3hb9 s ASN 385 Ca 0.01 -3.40 -0.07 0.00 0.42 0.00 0.00 52.86 49.81 3hb9 s ASN 385 Cb 0.10 -1.31 0.07 0.00 -1.45 0.00 0.00 41.25 38.67 3hb9 s ASN 385 CO 0.71 -0.15 0.18 0.47 -3.72 0.00 0.00 177.10 174.59 3hb9 n ASP 386 N 2.53 -0.53 -3.47 -4.21 8.00 -1.25 -1.89 116.55 115.73 3hb9 n ASP 386 Ca 0.18 -0.42 -0.19 0.00 0.71 0.00 0.00 54.79 55.06 3hb9 n ASP 386 Cb 0.37 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 3hb9 n ASP 386 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hb9 n PHE 387 N -1.75 -2.31 -3.79 1.24 3.72 -0.39 -4.98 117.46 109.20 3hb9 n PHE 387 Ca 0.03 0.76 -0.36 0.00 -0.05 0.00 0.00 57.45 57.83 3hb9 n PHE 387 Cb 0.16 -3.62 -0.11 0.00 -0.94 0.00 0.00 39.48 34.98 3hb9 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hb9 s MET 388 N -4.76 3.91 0.82 -1.08 -1.94 -0.79 -4.67 119.30 110.79 3hb9 s MET 388 Ca 0.27 -0.36 -0.14 0.00 -1.71 0.00 0.00 55.69 53.75 3hb9 s MET 388 Cb -0.08 -3.40 0.02 0.00 2.01 0.00 0.00 34.83 33.38 3hb9 s MET 388 CO 0.82 0.02 0.71 -2.30 -0.01 0.00 0.00 175.02 174.26 3hb9 n PRO 389 N 4.35 0.09 -4.34 2.03 -0.02 -1.26 -2.62 135.00 133.22 3hb9 n PRO 389 Ca -0.16 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.19 3hb9 n PRO 389 Cb 0.52 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3hb9 n PRO 389 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hb9 s ASP 390 N -1.84 2.75 -0.10 2.55 2.15 -1.19 -4.92 116.67 116.07 3hb9 s ASP 390 Ca 0.65 -0.86 0.02 0.00 0.43 0.00 0.00 52.55 52.80 3hb9 s ASP 390 Cb -0.29 -0.17 0.01 0.00 -0.30 0.00 0.00 42.92 42.18 3hb9 s ASP 390 CO 0.58 -0.02 -0.16 -0.89 -0.17 0.00 0.00 175.17 174.51 3hb9 s THR 391 N -1.99 1.56 0.00 1.71 2.01 -1.26 -4.81 115.64 112.86 3hb9 s THR 391 Ca 0.16 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3hb9 s THR 391 Cb -0.06 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3hb9 s THR 391 CO 0.07 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3hb9 n GLY 392 N 4.04 1.02 3.74 4.40 0.00 -1.26 -4.98 105.19 112.15 3hb9 n GLY 392 Ca -0.20 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3hb9 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hb9 s THR 393 N -2.00 4.95 0.00 2.61 2.01 -1.26 -2.45 115.64 119.50 3hb9 s THR 393 Ca 0.00 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 3hb9 s THR 393 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3hb9 s THR 393 CO 0.00 0.36 1.25 -0.63 -0.69 0.00 0.00 174.62 174.91 3hb9 s ILE 394 N 0.16 4.03 -0.23 1.82 -1.09 -1.24 -4.34 121.20 120.30 3hb9 s ILE 394 Ca 0.33 1.41 -0.06 0.00 -2.23 0.00 0.00 60.65 60.09 3hb9 s ILE 394 Cb -0.18 -3.91 -0.12 0.00 -1.58 0.00 0.00 42.46 36.68 3hb9 s ILE 394 CO 0.17 0.04 -0.26 -0.38 -1.23 0.00 0.00 174.94 173.28 3hb9 n ILE 395 N 4.35 1.29 0.00 2.92 2.08 -0.50 -4.35 119.36 125.16 3hb9 n ILE 395 Ca 0.11 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.02 3hb9 n ILE 395 Cb 0.46 -1.61 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3hb9 n ILE 395 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hb9 n ALA 396 N -3.70 1.06 -2.30 -1.39 0.00 -1.26 -4.45 120.51 108.48 3hb9 n ALA 396 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3hb9 n ALA 396 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3hb9 n ALA 396 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3hb9 n TYR 397 N -2.08 -4.94 -3.75 0.00 4.19 -1.14 -4.67 117.16 104.77 3hb9 n TYR 397 Ca 0.00 2.95 -0.13 0.00 3.31 0.00 0.00 57.90 64.03 3hb9 n TYR 397 Cb 0.00 -3.82 -0.14 0.00 0.49 0.00 0.00 39.34 35.88 3hb9 n TYR 397 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3hb9 s ARG 398 N -0.58 0.15 0.00 2.98 6.06 0.84 -4.83 118.95 123.56 3hb9 s ARG 398 Ca 0.00 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.63 3hb9 s ARG 398 Cb 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 34.95 34.90 3hb9 s ARG 398 CO 0.00 -0.14 0.00 -1.13 -2.50 0.00 0.00 175.30 171.53 3hb9 n SER 399 N 4.00 0.55 0.00 -2.12 3.41 -1.26 -1.59 113.62 116.60 3hb9 n SER 399 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3hb9 n SER 399 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3hb9 n SER 399 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hb9 n SER 400 N 0.00 0.73 0.00 4.04 2.88 -1.26 -4.65 113.62 115.36 3hb9 n SER 400 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hb9 n SER 400 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3hb9 n SER 400 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hb9 n GLY 401 N 5.00 -1.64 0.00 0.46 0.00 -1.26 -5.05 105.19 102.70 3hb9 n GLY 401 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3hb9 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 402 N -1.08 1.35 3.69 -0.02 0.00 -1.26 -4.72 105.19 103.14 3hb9 n GLY 402 Ca 0.00 -2.09 -0.52 0.00 0.00 0.00 0.00 46.02 43.41 3hb9 n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hb9 n PHE 403 N 0.64 2.17 0.00 1.61 -0.00 -1.26 -1.58 117.46 119.04 3hb9 n PHE 403 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.73 3hb9 n PHE 403 Cb 0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 36.93 3hb9 n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hb9 n GLY 404 N 4.18 3.25 3.75 7.13 0.00 -1.26 -4.92 105.19 117.31 3hb9 n GLY 404 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3hb9 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb9 s VAL 405 N -2.45 4.18 -0.03 1.61 1.01 -0.61 -1.25 120.40 122.85 3hb9 s VAL 405 Ca 0.00 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 3hb9 s VAL 405 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hb9 s VAL 405 CO 0.00 0.48 0.04 -0.60 0.00 0.00 0.00 175.10 175.02 3hb9 s ARG 406 N -1.01 -0.01 -0.06 2.72 6.06 0.84 -4.71 118.95 122.77 3hb9 s ARG 406 Ca 0.41 0.25 0.05 0.00 -2.50 0.00 0.00 55.73 53.94 3hb9 s ARG 406 Cb -0.25 -0.38 -0.01 0.00 0.06 0.00 0.00 34.95 34.37 3hb9 s ARG 406 CO 0.31 -0.23 -0.23 -0.51 -2.50 0.00 0.00 175.30 172.14 3hb9 s LEU 407 N 1.49 2.19 -0.23 -0.88 1.43 -1.26 -1.01 118.68 120.41 3hb9 s LEU 407 Ca -0.04 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3hb9 s LEU 407 Cb -0.13 -1.41 0.07 0.00 0.03 0.00 0.00 46.19 44.75 3hb9 s LEU 407 CO -0.03 0.25 -0.00 -1.81 0.23 0.00 0.00 176.35 174.99 3hb9 s ASP 408 N -0.20 3.58 0.15 2.29 1.01 -0.61 -5.00 116.67 117.90 3hb9 s ASP 408 Ca -0.02 -1.15 -0.14 0.00 0.71 0.00 0.00 52.55 51.95 3hb9 s ASP 408 Cb -0.13 -0.96 -0.07 0.00 1.01 0.00 0.00 42.92 42.77 3hb9 s ASP 408 CO 0.03 -0.29 0.54 0.00 0.21 0.00 0.00 175.17 175.67 3hb9 s ALA 409 N 1.56 3.58 0.00 5.23 0.00 -1.26 -0.18 121.76 130.69 3hb9 s ALA 409 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3hb9 s ALA 409 Cb -0.18 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3hb9 s ALA 409 CO -0.09 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3hb9 n GLY 410 N 0.76 0.49 0.70 0.00 0.00 -0.76 -3.98 105.19 102.40 3hb9 n GLY 410 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3hb9 n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb9 n ASP 411 N -0.13 2.06 -4.37 1.61 10.43 -0.34 -4.53 116.55 121.28 3hb9 n ASP 411 Ca 0.00 -1.92 -0.38 0.00 2.57 0.00 0.00 54.79 55.06 3hb9 n ASP 411 Cb 0.00 -0.22 -0.12 0.00 1.84 0.00 0.00 41.12 42.61 3hb9 n ASP 411 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hb9 s GLY 412 N -1.17 1.82 0.15 0.44 0.00 -1.03 -4.83 107.32 102.71 3hb9 s GLY 412 Ca 0.29 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.30 3hb9 s GLY 412 CO 0.21 0.68 0.71 -0.11 0.00 0.00 0.00 173.10 174.59 3hb9 s PHE 413 N 1.53 -0.40 0.56 1.90 -0.12 -1.26 -4.92 117.98 115.27 3hb9 s PHE 413 Ca 0.03 0.15 0.30 0.00 -0.05 0.00 0.00 56.93 57.36 3hb9 s PHE 413 Cb -0.17 0.59 1.46 0.00 -0.63 0.00 0.00 43.02 44.27 3hb9 s PHE 413 CO 0.04 -0.86 1.88 1.96 -0.05 0.00 0.00 175.22 178.18 3hb9 h GLN 414 N 2.00 0.00 0.00 1.99 1.08 -1.88 -3.41 115.11 114.89 3hb9 h GLN 414 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3hb9 h GLN 414 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 3hb9 h GLN 414 CO 0.33 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.62 3hb9 n GLY 415 N -1.64 0.18 3.61 3.46 0.00 -1.26 -4.45 105.19 105.08 3hb9 n GLY 415 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hb9 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb9 s ALA 416 N -2.98 0.61 0.73 4.61 0.00 -1.26 -3.65 121.76 119.82 3hb9 s ALA 416 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3hb9 s ALA 416 Cb 0.00 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.98 3hb9 s ALA 416 CO 0.00 -3.12 0.80 -0.85 0.00 0.00 0.00 175.76 172.59 3hb9 n GLU 417 N -4.43 -0.18 -5.17 0.00 0.00 -1.26 -3.95 120.64 105.65 3hb9 n GLU 417 Ca 0.06 -1.91 -0.32 0.00 0.00 0.00 0.00 57.16 55.00 3hb9 n GLU 417 Cb 0.54 -0.62 -0.15 0.00 0.00 0.00 0.00 31.44 31.21 3hb9 n GLU 417 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3hb9 s ILE 418 N -2.46 2.37 0.11 3.84 1.01 -1.03 -4.95 121.20 120.08 3hb9 s ILE 418 Ca 0.51 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3hb9 s ILE 418 Cb -0.02 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 3hb9 s ILE 418 CO 0.34 0.58 0.43 -0.94 0.00 0.00 0.00 174.94 175.35 3hb9 s SER 419 N -0.53 6.65 0.38 3.58 1.04 -1.26 -4.25 113.70 119.31 3hb9 s SER 419 Ca 0.07 0.82 0.24 0.00 0.48 0.00 0.00 55.95 57.56 3hb9 s SER 419 Cb -0.11 -2.19 0.53 0.00 0.10 0.00 0.00 66.02 64.35 3hb9 s SER 419 CO 0.01 0.13 1.68 1.55 0.98 0.00 0.00 173.24 177.58 3hb9 h PRO 420 N 3.50 0.00 -0.00 4.02 0.13 -2.01 -3.37 132.00 134.27 3hb9 h PRO 420 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hb9 h PRO 420 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hb9 h PRO 420 CO 0.67 0.00 0.00 1.88 -0.23 0.00 0.00 178.00 180.32 3hb9 h TYR 421 N 0.00 0.00 -2.63 1.56 -1.99 -2.00 -3.44 116.97 108.47 3hb9 h TYR 421 Ca 0.00 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.15 3hb9 h TYR 421 Cb 0.89 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.47 3hb9 h TYR 421 CO 0.00 0.00 -0.77 0.71 -0.00 0.00 0.00 178.16 178.10 3hb9 s TYR 422 N -4.26 2.14 -0.41 4.88 1.51 -1.26 -4.95 117.35 115.01 3hb9 s TYR 422 Ca -0.05 -0.39 -0.27 0.00 -1.01 0.00 0.00 57.07 55.35 3hb9 s TYR 422 Cb 0.13 -0.98 -0.07 0.00 -0.11 0.00 0.00 41.96 40.94 3hb9 s TYR 422 CO 0.44 0.57 2.36 -0.25 -1.11 0.00 0.00 175.55 177.56 3hb9 n ASP 423 N -0.31 2.60 -4.72 2.29 8.00 -1.26 -4.88 116.55 118.27 3hb9 n ASP 423 Ca -0.08 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.72 3hb9 n ASP 423 Cb 0.59 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 3hb9 n ASP 423 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hb9 s SER 424 N 10.97 6.41 -0.24 -2.24 0.15 -1.26 -5.00 113.70 122.49 3hb9 s SER 424 Ca 0.99 2.84 -0.03 0.00 0.70 0.00 0.00 55.95 60.46 3hb9 s SER 424 Cb -0.24 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.58 3hb9 s SER 424 CO 0.29 -0.95 0.25 -0.22 1.20 0.00 0.00 173.24 173.82 3hb9 s LEU 425 N 1.01 -0.16 -0.09 3.45 2.96 -1.26 -4.50 118.68 120.09 3hb9 s LEU 425 Ca 0.73 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3hb9 s LEU 425 Cb -0.49 0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 3hb9 s LEU 425 CO 0.33 -0.35 0.22 -0.07 -1.32 0.00 0.00 176.35 175.17 3hb9 h LEU 426 N 8.29 -0.10 -7.56 -0.68 3.38 -1.39 -0.89 115.31 116.36 3hb9 h LEU 426 Ca -0.16 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 3hb9 h LEU 426 Cb 1.12 0.03 -0.29 0.00 0.09 0.00 0.00 40.66 41.61 3hb9 h LEU 426 CO 0.31 0.42 -0.60 0.68 0.09 0.00 0.00 178.44 179.34 3hb9 s VAL 427 N -2.04 -0.02 -0.48 1.22 -7.23 -1.07 -1.82 120.40 108.96 3hb9 s VAL 427 Ca -0.04 0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.99 3hb9 s VAL 427 Cb -0.00 -0.18 0.04 0.00 0.56 0.00 0.00 36.38 36.80 3hb9 s VAL 427 CO 0.12 0.03 0.69 -0.75 -0.31 0.00 0.00 175.10 174.88 3hb9 s LYS 428 N 0.42 3.24 -0.15 4.82 2.20 0.74 -0.19 119.74 130.83 3hb9 s LYS 428 Ca -0.03 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 54.97 3hb9 s LYS 428 Cb -0.04 -4.01 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 3hb9 s LYS 428 CO -0.02 -1.16 0.20 -1.17 -0.36 0.00 0.00 175.35 172.85 3hb9 s LEU 429 N 2.97 4.28 -0.02 5.43 2.96 -0.38 -1.57 118.68 132.36 3hb9 s LEU 429 Ca 0.22 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3hb9 s LEU 429 Cb -0.15 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.35 3hb9 s LEU 429 CO 0.17 0.22 0.04 -0.44 -1.32 0.00 0.00 176.35 175.02 3hb9 s SER 430 N -0.05 0.01 0.11 3.68 0.01 -0.18 -1.45 113.70 115.84 3hb9 s SER 430 Ca 0.13 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.54 3hb9 s SER 430 Cb -0.12 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3hb9 s SER 430 CO 0.02 -0.08 -0.20 0.42 0.41 0.00 0.00 173.24 173.82 3hb9 s THR 431 N 0.62 1.67 -0.15 1.44 -4.23 -0.27 -0.12 115.64 114.61 3hb9 s THR 431 Ca -0.05 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3hb9 s THR 431 Cb -0.07 -1.58 0.07 0.00 1.34 0.00 0.00 72.50 72.26 3hb9 s THR 431 CO -0.02 -0.14 0.32 -2.28 -0.54 0.00 0.00 174.62 171.96 3hb9 s HIS 432 N -1.39 -0.54 0.18 3.99 5.04 -0.38 -1.25 115.29 120.94 3hb9 s HIS 432 Ca 0.08 1.14 -0.14 0.00 -1.54 0.00 0.00 55.06 54.60 3hb9 s HIS 432 Cb -0.09 0.09 0.01 0.00 0.04 0.00 0.00 32.58 32.63 3hb9 s HIS 432 CO 0.05 -0.38 0.42 0.00 -2.34 0.00 0.00 174.74 172.48 3hb9 s ALA 433 N 2.35 -0.52 0.49 1.58 0.00 -0.95 -4.27 121.76 120.44 3hb9 s ALA 433 Ca -0.01 -0.52 0.29 0.00 0.00 0.00 0.00 51.96 51.72 3hb9 s ALA 433 Cb -0.12 0.85 1.38 0.00 0.00 0.00 0.00 23.12 25.23 3hb9 s ALA 433 CO -0.10 -0.74 1.80 0.82 0.00 0.00 0.00 175.76 177.54 3hb9 h ILE 434 N 2.35 0.46 -3.20 0.00 2.04 -1.92 -0.39 117.51 116.86 3hb9 h ILE 434 Ca -0.30 -0.05 -0.41 0.00 1.00 0.00 0.00 64.86 65.10 3hb9 h ILE 434 Cb 1.25 0.30 -0.14 0.00 -0.74 0.00 0.00 36.82 37.49 3hb9 h ILE 434 CO 0.42 0.03 -0.64 -0.94 0.00 0.00 0.00 178.15 177.01 3hb9 s SER 435 N -5.25 1.96 0.20 1.72 1.04 -1.26 -4.14 113.70 107.97 3hb9 s SER 435 Ca -0.06 -1.27 -0.08 0.00 0.48 0.00 0.00 55.95 55.02 3hb9 s SER 435 Cb 0.24 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.46 3hb9 s SER 435 CO 0.80 -0.54 1.67 0.15 0.98 0.00 0.00 173.24 176.29 3hb9 h PHE 436 N 2.36 1.13 -0.22 5.02 3.57 -1.88 -1.85 116.94 125.07 3hb9 h PHE 436 Ca -0.39 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 60.81 3hb9 h PHE 436 Cb 1.23 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3hb9 h PHE 436 CO 0.57 0.99 -0.36 1.57 -2.23 0.00 0.00 178.31 178.86 3hb9 h LYS 437 N 0.96 0.48 0.02 1.11 2.10 -1.95 -1.64 116.57 117.64 3hb9 h LYS 437 Ca 0.18 -0.22 -0.22 0.00 -2.00 0.00 0.00 60.65 58.39 3hb9 h LYS 437 Cb 0.53 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 3hb9 h LYS 437 CO 0.03 0.77 -0.95 0.37 -2.00 0.00 0.00 179.45 177.67 3hb9 h GLN 438 N 0.41 0.27 -0.01 0.07 4.15 -1.88 -1.85 115.11 116.26 3hb9 h GLN 438 Ca 0.04 -0.31 -0.15 0.00 0.77 0.00 0.00 58.65 59.00 3hb9 h GLN 438 Cb 0.81 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 3hb9 h GLN 438 CO 0.07 1.04 -0.69 0.00 -1.93 0.00 0.00 178.83 177.31 3hb9 h ALA 439 N 0.85 0.83 -0.22 3.38 0.00 -1.32 -1.83 119.26 120.94 3hb9 h ALA 439 Ca -0.07 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 3hb9 h ALA 439 Cb 1.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hb9 h ALA 439 CO 0.15 0.84 -0.16 1.49 0.00 0.00 0.00 179.25 181.57 3hb9 h GLU 440 N 0.05 0.50 0.00 0.00 4.22 -1.21 0.23 114.58 118.37 3hb9 h GLU 440 Ca -0.01 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.19 3hb9 h GLU 440 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hb9 h GLU 440 CO 0.10 0.80 0.00 1.05 -2.18 0.00 0.00 179.01 178.78 3hb9 h GLU 441 N 0.20 0.00 0.13 1.92 4.11 -1.36 0.25 114.58 119.84 3hb9 h GLU 441 Ca 0.04 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.17 3hb9 h GLU 441 Cb 0.68 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.96 3hb9 h GLU 441 CO 0.04 0.00 -1.27 -0.22 0.07 0.00 0.00 179.01 177.64 3hb9 h LYS 442 N 0.00 0.58 -0.05 1.06 3.64 -1.12 -2.93 116.57 117.74 3hb9 h LYS 442 Ca 0.00 -0.80 -0.01 0.00 -1.27 0.00 0.00 60.65 58.57 3hb9 h LYS 442 Cb 0.58 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hb9 h LYS 442 CO 0.00 1.36 0.01 1.98 -2.27 0.00 0.00 179.45 180.53 3hb9 h MET 443 N 0.24 0.08 -0.76 1.90 4.05 0.06 -1.88 114.93 118.62 3hb9 h MET 443 Ca -0.19 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.33 3hb9 h MET 443 Cb 1.94 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 32.65 3hb9 h MET 443 CO 0.24 0.30 0.36 0.28 0.23 0.00 0.00 176.91 178.32 3hb9 h VAL 444 N -0.15 0.76 -0.44 -5.77 2.07 -0.64 -1.47 116.25 110.60 3hb9 h VAL 444 Ca 0.02 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3hb9 h VAL 444 Cb 0.26 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3hb9 h VAL 444 CO 0.00 0.10 -0.03 -0.09 0.02 0.00 0.00 177.57 177.58 3hb9 h ARG 445 N 0.57 0.80 -0.43 1.57 9.65 -1.38 -2.31 114.38 122.85 3hb9 h ARG 445 Ca 0.40 -0.27 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3hb9 h ARG 445 Cb 0.51 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 3hb9 h ARG 445 CO -0.33 0.88 0.09 0.66 2.80 0.00 0.00 179.97 184.07 3hb9 h SER 446 N 0.64 0.66 -0.74 -3.80 4.64 -0.97 -1.77 113.55 112.22 3hb9 h SER 446 Ca 0.12 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3hb9 h SER 446 Cb 0.53 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3hb9 h SER 446 CO 0.03 0.73 0.41 -0.07 -0.87 0.00 0.00 176.83 177.06 3hb9 h LEU 447 N 0.55 0.93 -0.27 5.97 3.38 -1.23 -1.13 115.31 123.52 3hb9 h LEU 447 Ca 0.13 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3hb9 h LEU 447 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3hb9 h LEU 447 CO 0.00 0.75 -0.68 0.03 0.09 0.00 0.00 178.44 178.64 3hb9 h ARG 448 N 1.05 0.00 -0.08 1.13 3.08 -1.32 -3.14 114.38 115.10 3hb9 h ARG 448 Ca 0.26 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.14 3hb9 h ARG 448 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hb9 h ARG 448 CO -0.04 0.68 -0.69 1.49 -1.07 0.00 0.00 179.97 180.33 3hb9 h GLU 449 N 0.00 0.36 -6.53 0.04 4.81 -0.99 -3.46 114.58 108.81 3hb9 h GLU 449 Ca -0.01 -0.28 -0.60 0.00 -0.13 0.00 0.00 59.36 58.34 3hb9 h GLU 449 Cb 1.40 0.05 0.11 0.00 0.63 0.00 0.00 28.75 30.94 3hb9 h GLU 449 CO 0.09 0.92 0.24 -1.33 -0.73 0.00 0.00 179.01 178.20 3hb9 n MET 450 N -3.85 1.55 -3.45 1.92 2.81 -0.46 -4.85 117.12 110.79 3hb9 n MET 450 Ca -0.04 0.54 -0.20 0.00 -1.81 0.00 0.00 57.70 56.20 3hb9 n MET 450 Cb 0.68 -1.98 -0.11 0.00 -0.71 0.00 0.00 33.22 31.10 3hb9 n MET 450 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3hb9 s ARG 451 N -1.53 0.27 -0.18 0.03 0.52 -0.62 -5.00 118.95 112.44 3hb9 s ARG 451 Ca 0.59 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.63 3hb9 s ARG 451 Cb -0.68 -0.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.92 3hb9 s ARG 451 CO 0.60 -0.96 -0.12 0.42 0.02 0.00 0.00 175.30 175.26 3hb9 s ILE 452 N 2.30 2.86 0.21 1.52 1.01 -1.26 -0.11 121.20 127.71 3hb9 s ILE 452 Ca 0.09 -0.69 0.10 0.00 0.00 0.00 0.00 60.65 60.15 3hb9 s ILE 452 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3hb9 s ILE 452 CO -0.30 0.49 -0.21 -0.13 0.00 0.00 0.00 174.94 174.79 3hb9 s ARG 453 N 1.06 1.47 0.00 2.79 0.52 -1.26 -4.71 118.95 118.81 3hb9 s ARG 453 Ca -0.00 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 3hb9 s ARG 453 Cb -0.15 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.70 3hb9 s ARG 453 CO -0.03 0.33 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3hb9 n GLY 454 N 0.03 2.82 3.25 -3.53 0.00 -1.26 -1.41 105.19 105.09 3hb9 n GLY 454 Ca -0.11 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3hb9 n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hb9 s VAL 455 N -0.76 0.58 -0.08 1.61 -7.23 -1.26 -4.65 120.40 108.60 3hb9 s VAL 455 Ca 0.00 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 3hb9 s VAL 455 Cb 0.00 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 3hb9 s VAL 455 CO 0.00 -0.37 0.35 -1.59 -0.31 0.00 0.00 175.10 173.18 3hb9 s LYS 456 N -3.96 4.02 0.46 4.82 -2.85 -1.26 -4.99 119.74 115.98 3hb9 s LYS 456 Ca 0.27 0.26 0.05 0.00 -1.00 0.00 0.00 55.97 55.54 3hb9 s LYS 456 Cb 0.07 -3.31 -0.04 0.00 -2.06 0.00 0.00 37.83 32.49 3hb9 s LYS 456 CO 0.06 0.50 0.10 0.95 0.10 0.00 0.00 175.35 177.05 3hb9 s THR 457 N -0.38 1.73 -1.66 3.79 -4.23 -1.26 -4.32 115.64 109.30 3hb9 s THR 457 Ca 0.21 -1.87 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 3hb9 s THR 457 Cb -0.15 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.28 3hb9 s THR 457 CO 0.09 0.00 1.06 -0.46 -0.54 0.00 0.00 174.62 174.77 3hb9 n ASN 458 N -1.23 1.41 -0.05 3.99 6.94 -1.19 -4.46 115.26 120.66 3hb9 n ASN 458 Ca -0.09 -2.07 -0.08 0.00 -0.02 0.00 0.00 54.58 52.32 3hb9 n ASN 458 Cb 0.66 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.81 3hb9 n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hb9 h ILE 459 N 1.14 0.81 -0.63 1.53 2.04 -1.90 -0.17 117.51 120.34 3hb9 h ILE 459 Ca 0.00 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3hb9 h ILE 459 Cb 0.44 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3hb9 h ILE 459 CO 0.04 0.01 0.20 -0.65 0.00 0.00 0.00 178.15 177.75 3hb9 h PRO 460 N 0.04 0.95 -0.09 2.37 0.11 -1.95 -1.88 132.00 131.54 3hb9 h PRO 460 Ca 0.10 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3hb9 h PRO 460 Cb 0.15 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3hb9 h PRO 460 CO -0.20 0.81 0.03 0.35 -0.21 0.00 0.00 178.00 178.78 3hb9 h PHE 461 N 0.92 0.15 -0.23 0.65 3.57 -1.77 -2.82 116.94 117.41 3hb9 h PHE 461 Ca 0.21 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3hb9 h PHE 461 Cb 0.25 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3hb9 h PHE 461 CO 0.02 0.29 0.05 -0.07 -2.23 0.00 0.00 178.31 176.37 3hb9 h LEU 462 N -0.03 0.29 0.12 0.59 3.38 -0.89 -2.18 115.31 116.59 3hb9 h LEU 462 Ca 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hb9 h LEU 462 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hb9 h LEU 462 CO -0.00 0.30 -0.09 0.40 0.09 0.00 0.00 178.44 179.14 3hb9 h ILE 463 N 0.32 0.80 -0.57 1.22 2.04 -1.24 -2.77 117.51 117.32 3hb9 h ILE 463 Ca 0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3hb9 h ILE 463 Cb 0.13 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3hb9 h ILE 463 CO -0.00 0.00 0.39 0.78 0.00 0.00 0.00 178.15 179.31 3hb9 h ASN 464 N -0.22 0.29 0.23 1.72 4.21 -1.15 -1.02 115.58 119.64 3hb9 h ASN 464 Ca -0.01 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3hb9 h ASN 464 Cb 0.19 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3hb9 h ASN 464 CO -0.00 0.17 -0.11 0.58 -1.29 0.00 0.00 177.43 176.78 3hb9 h VAL 465 N 0.32 0.82 -0.25 2.81 2.07 -1.28 -2.79 116.25 117.96 3hb9 h VAL 465 Ca 0.27 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3hb9 h VAL 465 Cb 0.62 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3hb9 h VAL 465 CO -0.06 0.15 -0.12 0.24 0.02 0.00 0.00 177.57 177.79 3hb9 h MET 466 N -0.69 0.41 0.00 1.57 2.86 -1.21 -2.64 114.93 115.22 3hb9 h MET 466 Ca -0.03 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3hb9 h MET 466 Cb 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hb9 h MET 466 CO 0.05 0.54 0.00 1.17 1.06 0.00 0.00 176.91 179.73 3hb9 n LYS 467 N -4.22 0.38 -2.93 1.72 0.00 -0.42 -4.64 118.16 108.05 3hb9 n LYS 467 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.92 3hb9 n LYS 467 Cb 0.30 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.78 3hb9 n LYS 467 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3hb9 s ASN 468 N -2.62 7.37 0.40 3.14 3.84 -1.00 -4.98 114.94 121.11 3hb9 s ASN 468 Ca 0.27 1.63 0.16 0.00 0.21 0.00 0.00 52.86 55.13 3hb9 s ASN 468 Cb 0.20 -2.51 0.87 0.00 -0.55 0.00 0.00 41.25 39.26 3hb9 s ASN 468 CO 0.46 0.11 1.87 0.11 -2.79 0.00 0.00 177.10 176.87 3hb9 h LYS 469 N 4.86 0.00 -0.15 0.43 1.79 -1.88 -1.33 116.57 120.28 3hb9 h LYS 469 Ca -0.45 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.92 3hb9 h LYS 469 Cb 1.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3hb9 h LYS 469 CO 0.68 0.31 -0.33 -0.22 -1.08 0.00 0.00 179.45 178.81 3hb9 h LYS 470 N 0.00 0.31 0.04 3.15 3.64 -1.93 -0.96 116.57 120.82 3hb9 h LYS 470 Ca -0.00 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3hb9 h LYS 470 Cb 0.60 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hb9 h LYS 470 CO 0.04 0.61 -0.30 0.35 -2.27 0.00 0.00 179.45 177.88 3hb9 h PHE 471 N 0.27 0.15 -0.51 1.91 3.04 -1.78 -3.32 116.94 116.70 3hb9 h PHE 471 Ca 0.03 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.91 3hb9 h PHE 471 Cb 0.72 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 3hb9 h PHE 471 CO 0.02 1.11 0.34 1.15 -2.02 0.00 0.00 178.31 178.91 3hb9 h THR 472 N -0.82 1.04 -0.07 4.41 2.02 -1.21 -2.47 112.91 115.81 3hb9 h THR 472 Ca -0.06 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3hb9 h THR 472 Cb 1.20 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3hb9 h THR 472 CO 0.03 0.10 0.02 0.77 0.37 0.00 0.00 175.52 176.81 3hb9 h SER 473 N 0.55 0.10 -0.04 4.18 4.64 -1.32 -3.46 113.55 118.19 3hb9 h SER 473 Ca 0.21 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hb9 h SER 473 Cb 0.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hb9 h SER 473 CO -0.05 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3hb9 n GLY 474 N -0.56 1.44 0.24 -0.77 0.00 -0.93 -4.83 105.19 99.78 3hb9 n GLY 474 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3hb9 n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb9 n ASP 475 N 0.13 1.51 -4.80 1.61 8.00 -1.26 -3.72 116.55 118.03 3hb9 n ASP 475 Ca 0.00 -2.71 -0.33 0.00 0.71 0.00 0.00 54.79 52.46 3hb9 n ASP 475 Cb 0.04 -0.35 0.02 0.00 -0.02 0.00 0.00 41.12 40.80 3hb9 n ASP 475 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hb9 s TYR 476 N -1.86 2.96 0.00 1.24 1.13 -1.26 -5.08 117.35 114.48 3hb9 s TYR 476 Ca 0.21 1.51 0.00 0.00 -1.41 0.00 0.00 57.07 57.38 3hb9 s TYR 476 Cb 0.18 -3.01 0.00 0.00 -1.10 0.00 0.00 41.96 38.03 3hb9 s TYR 476 CO 0.02 -1.18 0.00 0.25 -2.51 0.00 0.00 175.55 172.13 3hb9 n THR 477 N -2.16 0.00 0.10 -3.49 -2.24 -1.26 -4.97 114.28 100.26 3hb9 n THR 477 Ca 0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3hb9 n THR 477 Cb 0.53 -0.18 0.11 0.00 -2.10 0.00 0.00 70.33 68.69 3hb9 n THR 477 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hb9 h THR 478 N 0.55 1.44 0.00 4.28 1.35 -1.67 -3.09 112.91 115.77 3hb9 h THR 478 Ca 0.00 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3hb9 h THR 478 Cb 0.00 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3hb9 h THR 478 CO 0.00 0.64 0.00 0.29 -0.25 0.00 0.00 175.52 176.20 3hb9 n LYS 479 N -3.79 0.91 0.10 4.72 4.76 -1.26 -4.32 118.16 119.26 3hb9 n LYS 479 Ca -0.02 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.46 3hb9 n LYS 479 Cb 0.66 -1.41 0.45 0.00 -1.84 0.00 0.00 35.03 32.89 3hb9 n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hb9 h PHE 480 N 0.10 0.32 0.15 2.13 3.57 -1.80 -3.01 116.94 118.40 3hb9 h PHE 480 Ca 0.00 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 3hb9 h PHE 480 Cb 0.50 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 39.15 3hb9 h PHE 480 CO 0.00 0.28 -1.14 0.82 -2.23 0.00 0.00 178.31 176.04 3hb9 h ILE 481 N 0.32 1.30 0.00 1.41 5.03 -1.75 -3.23 117.51 120.59 3hb9 h ILE 481 Ca 0.08 -2.52 0.00 0.00 -0.12 0.00 0.00 64.86 62.30 3hb9 h ILE 481 Cb 0.12 3.01 0.00 0.00 -3.03 0.00 0.00 36.82 36.92 3hb9 h ILE 481 CO -0.00 0.73 0.00 -0.62 -0.68 0.00 0.00 178.15 177.58 3hb9 n GLU 482 N -3.98 0.79 -0.00 2.37 1.02 -1.19 -3.28 120.64 116.36 3hb9 n GLU 482 Ca -0.18 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.98 3hb9 n GLU 482 Cb 0.90 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.82 3hb9 n GLU 482 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hb9 n GLU 483 N -0.95 0.44 -3.82 3.49 1.02 -1.14 -4.90 120.64 114.78 3hb9 n GLU 483 Ca 0.17 -0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 3hb9 n GLU 483 Cb 0.08 -1.13 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 3hb9 n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hb9 s THR 484 N -2.37 3.22 -0.01 2.62 2.01 -1.21 -4.97 115.64 114.94 3hb9 s THR 484 Ca -0.02 -2.97 0.32 0.00 0.31 0.00 0.00 61.69 59.32 3hb9 s THR 484 Cb 0.03 -3.16 0.36 0.00 0.01 0.00 0.00 72.50 69.75 3hb9 s THR 484 CO 0.23 -0.82 1.94 1.55 -0.69 0.00 0.00 174.62 176.83 3hb9 h PRO 485 N 6.97 0.00 0.00 4.92 0.13 -1.90 -3.19 132.00 138.93 3hb9 h PRO 485 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3hb9 h PRO 485 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3hb9 h PRO 485 CO 0.69 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3hb9 n GLU 486 N -2.87 0.01 0.16 0.86 4.71 -1.26 -2.73 120.64 119.51 3hb9 n GLU 486 Ca 0.01 0.23 0.04 0.00 -0.01 0.00 0.00 57.16 57.43 3hb9 n GLU 486 Cb 0.27 -1.51 0.45 0.00 -1.01 0.00 0.00 31.44 29.64 3hb9 n GLU 486 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hb9 h LEU 487 N 0.00 0.15 0.00 -4.62 4.07 -1.91 -2.97 115.31 110.03 3hb9 h LEU 487 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3hb9 h LEU 487 Cb 0.28 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3hb9 h LEU 487 CO 0.00 0.28 -0.52 0.49 -1.08 0.00 0.00 178.44 177.61 3hb9 n PHE 488 N -4.33 0.15 -2.39 1.13 3.72 -1.10 -4.71 117.46 109.92 3hb9 n PHE 488 Ca -0.01 0.04 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 3hb9 n PHE 488 Cb 0.23 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 3hb9 n PHE 488 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hb9 s ASP 489 N -3.34 5.95 -0.04 4.37 -1.08 -1.12 -4.95 116.67 116.46 3hb9 s ASP 489 Ca 0.10 -0.62 -0.01 0.00 -0.52 0.00 0.00 52.55 51.50 3hb9 s ASP 489 Cb 0.16 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 39.10 3hb9 s ASP 489 CO 0.70 -1.97 0.02 0.27 0.52 0.00 0.00 175.17 174.70 3hb9 s ILE 490 N 6.75 0.10 0.11 4.11 -4.36 -1.26 -5.06 121.20 121.59 3hb9 s ILE 490 Ca 0.49 0.20 -0.23 0.00 -0.26 0.00 0.00 60.65 60.85 3hb9 s ILE 490 Cb -0.06 -0.25 -0.07 0.00 1.25 0.00 0.00 42.46 43.33 3hb9 s ILE 490 CO 0.07 0.16 0.69 -1.10 0.24 0.00 0.00 174.94 175.00 3hb9 s GLN 491 N 1.46 4.42 0.33 0.37 1.11 -1.26 -5.04 119.66 121.05 3hb9 s GLN 491 Ca -0.04 0.98 -0.29 0.00 0.01 0.00 0.00 55.36 56.02 3hb9 s GLN 491 Cb -0.13 -3.27 -0.11 0.00 -1.01 0.00 0.00 33.01 28.49 3hb9 s GLN 491 CO -0.03 0.55 1.49 -1.25 0.01 0.00 0.00 175.29 176.06 3hb9 s PRO 492 N -0.95 4.16 0.04 2.91 0.04 -1.26 -4.94 135.00 135.00 3hb9 s PRO 492 Ca 0.33 2.50 -0.31 0.00 0.04 0.00 0.00 61.00 63.57 3hb9 s PRO 492 Cb -0.21 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 3hb9 s PRO 492 CO 0.23 -0.50 1.32 -1.54 0.04 0.00 0.00 177.00 176.55 3hb9 s SER 493 N 0.05 6.93 -0.85 6.66 1.04 -1.26 -4.94 113.70 121.32 3hb9 s SER 493 Ca 0.56 2.11 -0.25 0.00 0.48 0.00 0.00 55.95 58.85 3hb9 s SER 493 Cb -0.45 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.12 3hb9 s SER 493 CO 0.55 -0.62 1.45 -0.76 0.98 0.00 0.00 173.24 174.85 3hb9 s LEU 494 N 1.67 3.31 -1.12 2.42 1.02 -1.26 -4.92 118.68 119.79 3hb9 s LEU 494 Ca 0.62 -0.79 -0.22 0.00 0.02 0.00 0.00 54.13 53.76 3hb9 s LEU 494 Cb -0.32 -2.56 -0.09 0.00 0.02 0.00 0.00 46.19 43.25 3hb9 s LEU 494 CO 0.28 -1.84 1.92 0.47 0.02 0.00 0.00 176.35 177.20 3hb9 n ASP 495 N 9.88 3.14 -0.30 2.29 8.00 -1.26 -4.74 116.55 133.56 3hb9 n ASP 495 Ca 0.19 -2.72 -0.05 0.00 0.71 0.00 0.00 54.79 52.93 3hb9 n ASP 495 Cb 0.50 -1.61 0.07 0.00 -0.02 0.00 0.00 41.12 40.06 3hb9 n ASP 495 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3hb9 h ARG 496 N 9.07 1.12 0.12 -1.24 3.08 -1.97 -1.35 114.38 123.21 3hb9 h ARG 496 Ca 0.29 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3hb9 h ARG 496 Cb 0.87 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hb9 h ARG 496 CO 1.41 0.82 -0.15 0.78 -1.07 0.00 0.00 179.97 181.76 3hb9 h GLY 497 N 1.12 -0.29 1.00 0.04 0.00 -1.97 -0.55 103.07 102.42 3hb9 h GLY 497 Ca 0.29 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 3hb9 h GLY 497 CO -0.05 -0.15 0.35 -0.84 0.00 0.00 0.00 176.54 175.86 3hb9 h THR 498 N -0.31 1.17 -0.42 4.70 2.02 -1.92 -1.04 112.91 117.10 3hb9 h THR 498 Ca 0.01 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3hb9 h THR 498 Cb 0.31 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3hb9 h THR 498 CO -0.06 0.17 0.17 0.11 0.37 0.00 0.00 175.52 176.28 3hb9 h LYS 499 N 0.78 0.60 -0.41 6.66 1.57 -1.05 0.00 116.57 124.72 3hb9 h LYS 499 Ca 0.21 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3hb9 h LYS 499 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3hb9 h LYS 499 CO -0.04 0.50 0.01 1.15 -0.57 0.00 0.00 179.45 180.49 3hb9 h THR 500 N 0.60 1.26 0.00 -0.16 2.02 -0.68 -2.72 112.91 113.23 3hb9 h THR 500 Ca 0.15 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 3hb9 h THR 500 Cb 0.12 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3hb9 h THR 500 CO -0.01 0.34 -0.22 -0.07 0.37 0.00 0.00 175.52 175.93 3hb9 h LEU 501 N 0.55 0.00 0.05 2.58 3.38 -0.01 -2.37 115.31 119.49 3hb9 h LEU 501 Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 3hb9 h LEU 501 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hb9 h LEU 501 CO 0.02 0.22 -1.19 -0.33 0.09 0.00 0.00 178.44 177.24 3hb9 h GLU 502 N 0.00 0.10 0.51 1.13 5.08 -1.00 -2.84 114.58 117.56 3hb9 h GLU 502 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3hb9 h GLU 502 Cb 0.50 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hb9 h GLU 502 CO 0.03 1.03 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.90 3hb9 h TYR 503 N 0.03 -0.64 -0.72 4.33 5.03 -1.16 -1.61 116.97 122.23 3hb9 h TYR 503 Ca -0.10 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.32 3hb9 h TYR 503 Cb 1.88 0.21 -0.13 0.00 1.55 0.00 0.00 36.73 40.24 3hb9 h TYR 503 CO 0.03 -0.31 -0.34 0.82 -1.32 0.00 0.00 178.16 177.03 3hb9 h ILE 504 N -1.03 0.12 -0.30 1.81 1.08 -1.58 -0.93 117.51 116.68 3hb9 h ILE 504 Ca -0.07 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 3hb9 h ILE 504 Cb 0.61 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 3hb9 h ILE 504 CO 0.12 0.00 -0.09 1.23 -0.69 0.00 0.00 178.15 178.72 3hb9 h GLY 505 N -0.11 0.20 0.89 5.37 0.00 -1.51 0.43 103.07 108.34 3hb9 h GLY 505 Ca 0.27 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.74 3hb9 h GLY 505 CO -0.78 -0.13 0.08 -0.57 0.00 0.00 0.00 176.54 175.15 3hb9 h ASN 506 N -0.02 0.11 -0.46 0.19 -0.00 -0.18 -0.53 115.58 114.69 3hb9 h ASN 506 Ca 0.15 0.01 -0.13 0.00 -0.00 0.00 0.00 56.30 56.33 3hb9 h ASN 506 Cb 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 3hb9 h ASN 506 CO -0.32 0.09 -0.23 0.58 -0.00 0.00 0.00 177.43 177.55 3hb9 h VAL 507 N 0.18 1.27 -0.53 2.57 2.07 -1.00 0.29 116.25 121.11 3hb9 h VAL 507 Ca 0.08 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3hb9 h VAL 507 Cb 0.03 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3hb9 h VAL 507 CO -0.07 0.48 0.34 0.74 0.02 0.00 0.00 177.57 179.09 3hb9 h THR 508 N 0.84 1.11 0.08 2.57 2.02 -0.69 0.20 112.91 119.06 3hb9 h THR 508 Ca 0.11 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 3hb9 h THR 508 Cb 0.81 0.35 0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3hb9 h THR 508 CO 0.07 0.13 -0.62 0.40 0.37 0.00 0.00 175.52 175.87 3hb9 h ILE 509 N 0.70 1.54 -0.07 3.11 1.08 -1.02 -3.41 117.51 119.44 3hb9 h ILE 509 Ca 0.20 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 3hb9 h ILE 509 Cb -0.05 3.07 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 3hb9 h ILE 509 CO -0.06 0.67 0.00 0.59 -0.69 0.00 0.00 178.15 178.66 3hb9 n ASN 510 N -4.24 1.93 -0.36 1.72 3.02 0.10 -4.91 115.26 112.52 3hb9 n ASN 510 Ca -0.12 -1.69 0.03 0.00 -0.03 0.00 0.00 54.58 52.77 3hb9 n ASN 510 Cb 0.72 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 3hb9 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hb9 n GLY 511 N -0.03 -1.93 3.22 7.41 0.00 0.71 -4.93 105.19 109.64 3hb9 n GLY 511 Ca 0.03 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 3hb9 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hb9 s PHE 512 N -0.61 1.95 0.20 1.61 5.36 -1.26 -4.44 117.98 120.79 3hb9 s PHE 512 Ca 0.00 -0.42 -0.32 0.00 -0.96 0.00 0.00 56.93 55.23 3hb9 s PHE 512 Cb 0.00 -1.27 -0.13 0.00 -0.34 0.00 0.00 43.02 41.29 3hb9 s PHE 512 CO 0.00 -0.07 1.67 -0.35 -1.46 0.00 0.00 175.22 175.01 3hb9 n PRO 513 N 2.67 2.58 -1.70 10.12 -0.04 -1.26 -2.02 135.00 145.35 3hb9 n PRO 513 Ca -0.16 0.93 -0.18 0.00 -0.04 0.00 0.00 63.50 64.05 3hb9 n PRO 513 Cb 0.53 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 3hb9 n PRO 513 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hb9 n ASN 515 N 3.69 -5.20 -4.23 3.54 3.02 -1.26 -5.01 115.26 109.82 3hb9 n ASN 515 Ca 0.16 0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 54.71 3hb9 n ASN 515 Cb 0.33 -4.28 -0.14 0.00 -0.61 0.00 0.00 39.78 35.08 3hb9 n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hb9 s VAL 516 N -2.72 3.05 -0.33 2.41 1.01 -0.85 -4.85 120.40 118.12 3hb9 s VAL 516 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 61.98 60.70 3hb9 s VAL 516 Cb 0.00 -2.53 -0.12 0.00 0.00 0.00 0.00 36.38 33.72 3hb9 s VAL 516 CO 0.00 0.21 2.12 1.21 0.00 0.00 0.00 175.10 178.64 3hb9 n GLU 517 N 4.71 1.09 -2.09 2.72 0.00 -1.26 -4.65 120.64 121.15 3hb9 n GLU 517 Ca -0.16 0.32 -0.28 0.00 0.00 0.00 0.00 57.16 57.03 3hb9 n GLU 517 Cb 0.48 -2.38 -0.05 0.00 0.00 0.00 0.00 31.44 29.48 3hb9 n GLU 517 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3hb9 s LYS 518 N 5.80 2.61 0.21 5.31 2.36 -1.26 -4.90 119.74 129.86 3hb9 s LYS 518 Ca 1.08 -0.67 0.11 0.00 -2.55 0.00 0.00 55.97 53.94 3hb9 s LYS 518 Cb -0.91 -5.15 -0.05 0.00 -1.05 0.00 0.00 37.83 30.68 3hb9 s LYS 518 CO 0.52 -3.52 -0.22 -0.98 1.55 0.00 0.00 175.35 172.71 3hb9 s ARG 519 N 6.67 1.50 0.66 4.03 1.70 -1.26 -5.13 118.95 127.12 3hb9 s ARG 519 Ca 0.68 -1.56 -0.18 0.00 -0.47 0.00 0.00 55.73 54.20 3hb9 s ARG 519 Cb -0.04 -1.70 -0.00 0.00 -0.57 0.00 0.00 34.95 32.63 3hb9 s ARG 519 CO 0.04 0.35 1.28 -2.30 -1.08 0.00 0.00 175.30 173.59 3hb9 n PRO 520 N 0.05 1.05 -1.52 3.89 -0.02 -1.26 -4.81 135.00 132.37 3hb9 n PRO 520 Ca -0.11 0.42 -0.53 0.00 -2.02 0.00 0.00 63.50 61.26 3hb9 n PRO 520 Cb 0.57 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 3hb9 n PRO 520 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hb9 n LYS 521 N -1.98 1.16 -1.93 -0.52 4.81 -1.26 -4.86 118.16 113.56 3hb9 n LYS 521 Ca 0.16 0.36 -0.33 0.00 -0.87 0.00 0.00 58.31 57.63 3hb9 n LYS 521 Cb 0.48 -2.35 0.02 0.00 0.02 0.00 0.00 35.03 33.21 3hb9 n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hb9 s PRO 522 N 5.35 3.15 -0.17 1.64 0.02 -1.26 -5.00 135.00 138.74 3hb9 s PRO 522 Ca 1.06 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 3hb9 s PRO 522 Cb -0.92 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.58 3hb9 s PRO 522 CO 0.54 -0.95 1.06 0.34 -0.33 0.00 0.00 177.00 177.67 3hb9 s ASP 523 N -2.81 7.13 0.30 2.53 2.15 -1.26 -5.05 116.67 119.66 3hb9 s ASP 523 Ca 0.64 1.50 0.07 0.00 0.43 0.00 0.00 52.55 55.19 3hb9 s ASP 523 Cb -0.17 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3hb9 s ASP 523 CO 0.39 -0.59 0.28 -0.31 -0.17 0.00 0.00 175.17 174.77 3hb9 s TYR 524 N 2.73 3.03 0.20 -5.34 1.51 -1.26 -5.09 117.35 113.15 3hb9 s TYR 524 Ca 0.47 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 3hb9 s TYR 524 Cb -0.18 -1.65 -0.09 0.00 -0.11 0.00 0.00 41.96 39.93 3hb9 s TYR 524 CO 0.12 0.31 1.43 -1.21 -1.11 0.00 0.00 175.55 175.09 3hb9 s GLU 525 N -3.95 4.29 -0.04 -0.62 0.41 -1.26 -4.97 118.70 112.55 3hb9 s GLU 525 Ca 0.38 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 56.87 3hb9 s GLU 525 Cb -0.07 -3.15 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 3hb9 s GLU 525 CO 0.26 -0.43 1.34 -0.51 -0.49 0.00 0.00 175.26 175.43 3hb9 s LEU 526 N 0.20 4.29 -0.26 1.80 2.01 -1.26 -5.00 118.68 120.46 3hb9 s LEU 526 Ca 0.62 1.98 -0.21 0.00 0.01 0.00 0.00 54.13 56.53 3hb9 s LEU 526 Cb -0.40 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.22 3hb9 s LEU 526 CO 0.38 -0.69 0.66 0.00 1.01 0.00 0.00 176.35 177.71 3hb9 s ALA 527 N 2.53 3.61 -0.78 4.21 0.00 -1.26 -5.01 121.76 125.06 3hb9 s ALA 527 Ca 0.61 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 3hb9 s ALA 527 Cb -0.28 -3.08 0.09 0.00 0.00 0.00 0.00 23.12 19.86 3hb9 s ALA 527 CO 0.24 -0.84 1.04 -1.54 0.00 0.00 0.00 175.76 174.65 3hb9 s SER 528 N 1.46 6.37 -0.17 0.00 1.04 -1.26 -5.00 113.70 116.14 3hb9 s SER 528 Ca 0.27 -1.45 -0.29 0.00 0.48 0.00 0.00 55.95 54.97 3hb9 s SER 528 Cb -0.15 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 3hb9 s SER 528 CO 0.08 -1.28 2.03 -0.63 0.98 0.00 0.00 173.24 174.42 3hb9 s ILE 529 N 3.50 3.16 0.31 -1.02 -1.09 -1.26 -4.95 121.20 119.85 3hb9 s ILE 529 Ca 0.27 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.57 3hb9 s ILE 529 Cb -0.12 -3.18 -0.10 0.00 -1.58 0.00 0.00 42.46 37.48 3hb9 s ILE 529 CO 0.01 -0.09 1.43 -2.84 -1.23 0.00 0.00 174.94 172.22 3hb9 s PRO 530 N 5.57 4.24 0.08 2.79 0.02 -1.26 -5.03 135.00 141.42 3hb9 s PRO 530 Ca 0.91 2.37 0.05 0.00 0.02 0.00 0.00 61.00 64.36 3hb9 s PRO 530 Cb -0.33 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3hb9 s PRO 530 CO 0.36 -0.40 -0.14 0.95 -0.33 0.00 0.00 177.00 177.44 3hb9 s THR 531 N -0.62 1.14 -0.12 0.99 -4.23 -1.26 -4.34 115.64 107.20 3hb9 s THR 531 Ca 0.55 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3hb9 s THR 531 Cb -0.43 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.22 3hb9 s THR 531 CO 0.51 -0.30 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.44 3hb9 s VAL 532 N -1.59 1.60 0.10 2.29 1.01 -1.26 -4.87 120.40 117.67 3hb9 s VAL 532 Ca 0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 61.98 60.94 3hb9 s VAL 532 Cb -0.08 -1.45 -0.17 0.00 0.00 0.00 0.00 36.38 34.67 3hb9 s VAL 532 CO 0.02 0.46 1.10 -1.54 0.00 0.00 0.00 175.10 175.14 3hb9 n SER 533 N 4.21 0.67 0.32 3.32 3.41 -1.26 -4.79 113.62 119.50 3hb9 n SER 533 Ca -0.19 1.14 0.21 0.00 -0.26 0.00 0.00 58.87 59.77 3hb9 n SER 533 Cb 0.51 -1.08 1.10 0.00 -0.26 0.00 0.00 64.21 64.47 3hb9 n SER 533 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hb9 h SER 534 N 3.23 0.00 -0.18 4.04 4.64 -1.99 -1.59 113.55 121.70 3hb9 h SER 534 Ca -0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 3hb9 h SER 534 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3hb9 h SER 534 CO 0.69 0.00 -0.13 0.28 -0.87 0.00 0.00 176.83 176.80 3hb9 h SER 535 N 0.00 0.43 -0.86 4.97 0.02 -2.00 -2.56 113.55 113.54 3hb9 h SER 535 Ca 0.00 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3hb9 h SER 535 Cb 0.09 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3hb9 h SER 535 CO 0.00 0.78 0.46 0.50 -1.14 0.00 0.00 176.83 177.43 3hb9 h LYS 536 N 0.08 1.21 -0.75 3.45 3.64 -1.65 -2.89 116.57 119.67 3hb9 h LYS 536 Ca 0.04 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3hb9 h LYS 536 Cb 0.63 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3hb9 h LYS 536 CO 0.03 0.90 0.31 0.82 -2.27 0.00 0.00 179.45 179.24 3hb9 h ILE 537 N 1.22 1.25 0.00 2.00 1.08 -1.47 -2.74 117.51 118.85 3hb9 h ILE 537 Ca 0.30 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3hb9 h ILE 537 Cb 0.05 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3hb9 h ILE 537 CO -0.05 0.31 -0.03 0.00 -0.69 0.00 0.00 178.15 177.69 3hb9 h ALA 538 N 1.26 1.14 0.00 1.87 0.00 -1.23 -1.73 119.26 120.58 3hb9 h ALA 538 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hb9 h ALA 538 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hb9 h ALA 538 CO -0.02 0.04 -0.47 -1.13 0.00 0.00 0.00 179.25 177.67 3hb9 n SER 538 N -3.33 0.55 -4.78 0.00 3.41 -1.03 -4.91 113.62 103.52 3hb9 n SER 538 Ca -0.02 0.05 -0.37 0.00 -0.26 0.00 0.00 58.87 58.27 3hb9 n SER 538 Cb 0.17 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3hb9 n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hb9 s PHE 538 N -3.08 3.15 -0.46 7.33 2.99 -0.65 -5.02 117.98 122.24 3hb9 s PHE 538 Ca 0.09 1.61 0.05 0.00 0.00 0.00 0.00 56.93 58.68 3hb9 s PHE 538 Cb 0.16 -3.21 0.18 0.00 0.00 0.00 0.00 43.02 40.15 3hb9 s PHE 538 CO 0.68 -0.90 0.40 0.45 -0.00 0.00 0.00 175.22 175.85 3hb9 n SER 539 N -0.18 0.23 -0.79 1.36 2.88 -1.26 -4.87 113.62 110.99 3hb9 n SER 539 Ca 0.06 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 3hb9 n SER 539 Cb 0.49 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 3hb9 n SER 539 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hb9 n GLY 540 N 2.46 1.39 0.07 0.46 0.00 -1.23 -4.89 105.19 103.45 3hb9 n GLY 540 Ca 0.27 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.81 3hb9 n GLY 540 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hb9 n THR 541 N 0.00 0.42 -0.09 2.61 -2.24 -0.63 -2.55 114.28 111.80 3hb9 n THR 541 Ca 0.00 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3hb9 n THR 541 Cb 0.00 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 3hb9 n THR 541 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hb9 h LYS 542 N 0.00 0.82 -0.21 -0.78 3.11 -1.33 -2.40 116.57 115.77 3hb9 h LYS 542 Ca 0.00 -0.49 -0.13 0.00 -2.81 0.00 0.00 60.65 57.22 3hb9 h LYS 542 Cb 0.67 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 3hb9 h LYS 542 CO 0.00 1.12 -0.42 1.96 -2.81 0.00 0.00 179.45 179.30 3hb9 h GLN 543 N 0.58 0.51 -0.31 1.90 7.50 -1.71 -2.88 115.11 120.70 3hb9 h GLN 543 Ca 0.03 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 58.91 3hb9 h GLN 543 Cb 1.04 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.56 3hb9 h GLN 543 CO 0.10 0.84 0.19 1.25 -1.50 0.00 0.00 178.83 179.71 3hb9 h LEU 544 N 0.41 0.38 -0.92 1.46 5.85 -1.44 -1.47 115.31 119.59 3hb9 h LEU 544 Ca 0.03 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3hb9 h LEU 544 Cb 0.92 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3hb9 h LEU 544 CO 0.08 0.31 0.58 0.25 -0.34 0.00 0.00 178.44 179.32 3hb9 h LEU 545 N 0.41 0.90 -1.57 2.25 5.85 -1.39 0.95 115.31 122.71 3hb9 h LEU 545 Ca 0.11 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3hb9 h LEU 545 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hb9 h LEU 545 CO -0.02 0.56 -0.20 0.44 -0.34 0.00 0.00 178.44 178.88 3hb9 h ASP 546 N 1.03 0.00 0.03 1.25 3.32 -1.24 -1.09 116.42 119.73 3hb9 h ASP 546 Ca 0.41 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.14 3hb9 h ASP 546 Cb 0.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3hb9 h ASP 546 CO -0.19 0.20 -1.77 -0.62 -1.72 0.00 0.00 179.24 175.15 3hb9 n GLU 547 N -3.68 0.62 0.00 3.56 1.02 -0.54 -4.70 120.64 116.93 3hb9 n GLU 547 Ca -0.01 0.41 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 3hb9 n GLU 547 Cb 0.32 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3hb9 n GLU 547 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3hb9 n VAL 548 N -4.08 0.00 -0.53 2.62 0.24 0.22 -5.10 118.33 111.70 3hb9 n VAL 548 Ca -0.37 -0.48 0.07 0.00 -2.04 0.00 0.00 64.34 61.52 3hb9 n VAL 548 Cb 0.83 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 34.23 3hb9 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hb9 n GLY 549 N 0.49 -2.04 0.33 7.63 0.00 -0.41 -3.06 105.19 108.13 3hb9 n GLY 549 Ca 0.02 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 44.67 3hb9 n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hb9 h PRO 550 N -0.50 1.03 -0.81 1.61 0.13 -1.81 0.63 132.00 132.28 3hb9 h PRO 550 Ca -0.02 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3hb9 h PRO 550 Cb 0.49 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.36 3hb9 h PRO 550 CO 0.01 0.68 0.36 -0.22 -0.23 0.00 0.00 178.00 178.61 3hb9 h LYS 551 N 1.06 1.18 -0.33 0.86 3.11 -1.93 -2.59 116.57 117.93 3hb9 h LYS 551 Ca 0.37 -0.19 -0.08 0.00 -2.81 0.00 0.00 60.65 57.93 3hb9 h LYS 551 Cb 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 3hb9 h LYS 551 CO -0.14 0.93 -0.12 0.78 -2.81 0.00 0.00 179.45 178.09 3hb9 h GLY 552 N 1.16 0.73 0.87 5.01 0.00 -1.15 -2.24 103.07 107.46 3hb9 h GLY 552 Ca 0.27 -0.63 0.06 0.00 0.00 0.00 0.00 47.33 47.04 3hb9 h GLY 552 CO -0.03 0.57 0.58 -2.08 0.00 0.00 0.00 176.54 175.59 3hb9 h VAL 553 N 0.45 1.07 -0.43 4.60 2.07 -0.86 0.02 116.25 123.16 3hb9 h VAL 553 Ca 0.08 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3hb9 h VAL 553 Cb 0.64 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hb9 h VAL 553 CO 0.04 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 3hb9 h ALA 554 N 1.51 0.60 -0.33 1.67 0.00 -1.35 -2.24 119.26 119.14 3hb9 h ALA 554 Ca 0.38 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hb9 h ALA 554 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hb9 h ALA 554 CO -0.14 0.55 -0.01 0.93 0.00 0.00 0.00 179.25 180.58 3hb9 h GLU 555 N 0.71 0.51 -0.36 0.00 4.39 -0.74 -2.69 114.58 116.39 3hb9 h GLU 555 Ca 0.10 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3hb9 h GLU 555 Cb 0.74 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3hb9 h GLU 555 CO 0.06 0.54 -0.14 2.35 -1.16 0.00 0.00 179.01 180.66 3hb9 h TRP 556 N 0.49 0.84 -0.36 4.33 7.01 -0.87 -3.09 115.95 124.29 3hb9 h TRP 556 Ca 0.10 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 3hb9 h TRP 556 Cb 0.33 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3hb9 h TRP 556 CO 0.01 0.92 0.08 0.28 -2.79 0.00 0.00 178.44 176.94 3hb9 h VAL 557 N 0.53 1.17 -0.26 2.65 2.07 -1.18 -2.44 116.25 118.79 3hb9 h VAL 557 Ca 0.08 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3hb9 h VAL 557 Cb 0.68 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3hb9 h VAL 557 CO 0.05 0.22 0.08 0.11 0.02 0.00 0.00 177.57 178.05 3hb9 h LYS 558 N 0.52 0.19 -0.04 1.57 1.57 -1.41 -2.99 116.57 115.99 3hb9 h LYS 558 Ca 0.12 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3hb9 h LYS 558 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hb9 h LYS 558 CO -0.00 0.13 -0.21 0.87 -0.57 0.00 0.00 179.45 179.67 3hb9 h LYS 559 N 0.20 0.07 -6.48 3.15 1.57 -1.39 -3.44 116.57 110.25 3hb9 h LYS 559 Ca 0.11 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.34 3hb9 h LYS 559 Cb 0.09 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.41 3hb9 h LYS 559 CO -0.12 0.28 0.92 -0.65 -0.57 0.00 0.00 179.45 179.30 3hb9 s GLN 560 N -4.58 4.23 -0.00 3.15 -1.52 -1.09 -4.92 119.66 114.94 3hb9 s GLN 560 Ca -0.04 2.25 -0.09 0.00 -1.95 0.00 0.00 55.36 55.52 3hb9 s GLN 560 Cb 0.15 -3.46 -0.31 0.00 -0.22 0.00 0.00 33.01 29.17 3hb9 s GLN 560 CO 0.71 -0.65 0.86 0.22 -0.25 0.00 0.00 175.29 176.18 3hb9 h ASP 561 N 7.75 0.60 -4.09 5.90 1.82 -1.88 -3.46 116.42 123.06 3hb9 h ASP 561 Ca -0.42 -0.77 -0.52 0.00 -0.39 0.00 0.00 57.03 54.93 3hb9 h ASP 561 Cb 1.20 -0.20 0.10 0.00 0.68 0.00 0.00 39.33 41.11 3hb9 h ASP 561 CO 0.91 1.63 0.47 -1.81 -1.61 0.00 0.00 179.24 178.83 3hb9 s ASP 562 N -7.27 5.39 0.02 2.28 1.01 -1.26 -4.77 116.67 112.06 3hb9 s ASP 562 Ca -0.11 2.34 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 3hb9 s ASP 562 Cb 0.06 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 3hb9 s ASP 562 CO 0.88 -1.45 1.33 -0.69 0.21 0.00 0.00 175.17 175.45 3hb9 s VAL 563 N -1.62 3.79 0.04 -1.27 1.01 -0.98 -4.89 120.40 116.47 3hb9 s VAL 563 Ca 0.75 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.87 3hb9 s VAL 563 Cb -0.29 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3hb9 s VAL 563 CO 0.32 0.03 0.31 -0.76 0.00 0.00 0.00 175.10 175.00 3hb9 s LEU 564 N 1.94 4.36 0.14 3.92 1.43 -0.95 -1.32 118.68 128.20 3hb9 s LEU 564 Ca 0.62 0.61 0.10 0.00 -1.03 0.00 0.00 54.13 54.43 3hb9 s LEU 564 Cb -0.31 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3hb9 s LEU 564 CO 0.27 0.22 -0.19 -1.48 0.23 0.00 0.00 176.35 175.39 3hb9 s LEU 565 N -1.88 2.63 -0.18 1.79 0.05 -1.26 -1.56 118.68 118.27 3hb9 s LEU 565 Ca 0.30 -0.64 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 3hb9 s LEU 565 Cb -0.13 -1.45 -0.00 0.00 -2.05 0.00 0.00 46.19 42.56 3hb9 s LEU 565 CO 0.18 0.16 -0.11 -0.89 -0.55 0.00 0.00 176.35 175.13 3hb9 s THR 566 N -1.28 2.88 -0.06 5.48 2.01 0.04 -0.98 115.64 123.74 3hb9 s THR 566 Ca 0.19 -0.68 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 3hb9 s THR 566 Cb -0.10 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3hb9 s THR 566 CO 0.10 0.48 0.84 -0.62 -0.69 0.00 0.00 174.62 174.73 3hb9 s ASP 567 N 1.12 7.14 -0.06 3.53 2.15 -1.07 -0.98 116.67 128.51 3hb9 s ASP 567 Ca 0.01 1.38 0.15 0.00 0.43 0.00 0.00 52.55 54.52 3hb9 s ASP 567 Cb -0.14 -2.48 0.48 0.00 -0.30 0.00 0.00 42.92 40.47 3hb9 s ASP 567 CO -0.03 -0.22 1.40 0.35 -0.17 0.00 0.00 175.17 176.49 3hb9 n THR 568 N 3.98 1.43 -0.29 1.71 -2.24 -0.49 -1.36 114.28 117.02 3hb9 n THR 568 Ca 0.03 -1.21 -0.00 0.00 -2.27 0.00 0.00 64.05 60.59 3hb9 n THR 568 Cb 0.51 0.28 0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3hb9 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hb9 h THR 569 N 2.67 1.03 0.00 4.28 2.02 -1.80 -0.29 112.91 120.83 3hb9 h THR 569 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3hb9 h THR 569 Cb 1.05 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3hb9 h THR 569 CO 0.09 0.16 0.00 -0.26 0.37 0.00 0.00 175.52 175.89 3hb9 h PHE 570 N 0.90 0.00 0.00 3.16 0.04 -1.82 -3.37 116.94 115.85 3hb9 h PHE 570 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 3hb9 h PHE 570 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3hb9 h PHE 570 CO -0.04 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.54 3hb9 n ARG 571 N -2.80 0.00 0.00 1.51 0.00 -0.75 -4.76 116.66 109.86 3hb9 n ARG 571 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3hb9 n ARG 571 Cb 0.31 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.04 3hb9 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hb9 h ASP 572 N 0.00 0.49 -0.26 6.15 -0.00 -1.71 -1.21 116.42 119.88 3hb9 h ASP 572 Ca 0.00 -0.11 0.04 0.00 -0.00 0.00 0.00 57.03 56.96 3hb9 h ASP 572 Cb 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.33 39.16 3hb9 h ASP 572 CO 0.00 0.61 0.01 0.00 -0.00 0.00 0.00 179.24 179.86 3hb9 h ALA 573 N 1.45 0.24 0.00 -0.78 0.00 -1.31 -0.75 119.26 118.10 3hb9 h ALA 573 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hb9 h ALA 573 Cb 0.42 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hb9 h ALA 573 CO 0.02 -0.41 -0.50 1.12 0.00 0.00 0.00 179.25 179.48 3hb9 h HIS 574 N 0.09 0.00 -0.69 0.00 2.07 -1.66 -1.32 115.15 113.65 3hb9 h HIS 574 Ca 0.12 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.61 3hb9 h HIS 574 Cb 0.16 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.10 3hb9 h HIS 574 CO -0.20 0.00 0.30 0.37 -3.07 0.00 0.00 177.93 175.33 3hb9 h GLN 575 N 0.00 1.00 0.03 5.12 4.15 -0.87 -0.75 115.11 123.78 3hb9 h GLN 575 Ca 0.00 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 3hb9 h GLN 575 Cb 0.98 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.50 3hb9 h GLN 575 CO 0.00 0.79 -0.26 0.77 -1.93 0.00 0.00 178.83 178.21 3hb9 h SER 576 N 0.98 0.18 0.67 -0.69 0.02 -1.00 -3.31 113.55 110.40 3hb9 h SER 576 Ca 0.24 -0.88 -0.24 0.00 -0.84 0.00 0.00 61.79 60.06 3hb9 h SER 576 Cb 0.15 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3hb9 h SER 576 CO -0.03 1.05 -1.47 -0.07 -1.14 0.00 0.00 176.83 175.17 3hb9 h LEU 577 N -0.66 0.00 -3.42 5.07 3.38 -1.24 -3.41 115.31 115.03 3hb9 h LEU 577 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3hb9 h LEU 577 Cb 1.11 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.59 3hb9 h LEU 577 CO 0.05 0.88 -0.85 0.18 0.09 0.00 0.00 178.44 178.79 3hb9 n LEU 578 N -3.07 2.05 -2.83 1.67 4.77 -0.38 -2.30 117.00 116.92 3hb9 n LEU 578 Ca -0.12 -3.06 -0.19 0.00 -0.03 0.00 0.00 56.01 52.62 3hb9 n LEU 578 Cb 0.97 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3hb9 n LEU 578 CO 0.45 1.04 -0.10 0.00 -1.33 0.00 0.00 177.39 177.44 3hb9 n ALA 579 N -0.31 -0.88 -2.27 -1.18 0.00 -1.19 -1.46 120.51 113.22 3hb9 n ALA 579 Ca 0.14 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 3hb9 n ALA 579 Cb 0.93 -2.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 3hb9 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hb9 n THR 580 N -3.90 -0.81 0.95 0.00 -1.04 -0.66 -4.91 114.28 103.90 3hb9 n THR 580 Ca -0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.01 3hb9 n THR 580 Cb 0.61 -2.75 0.28 0.00 -1.82 0.00 0.00 70.33 66.65 3hb9 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hb9 n ARG 581 N -2.90 0.04 -1.68 -2.82 5.12 -0.54 -4.84 116.66 109.04 3hb9 n ARG 581 Ca -0.24 0.01 -0.44 0.00 -1.93 0.00 0.00 57.85 55.25 3hb9 n ARG 581 Cb 0.68 -1.52 -0.04 0.00 -1.16 0.00 0.00 32.46 30.42 3hb9 n ARG 581 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3hb9 n VAL 582 N -1.57 0.40 -2.27 1.55 0.31 -1.26 -4.96 118.33 110.53 3hb9 n VAL 582 Ca 0.05 -0.07 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 3hb9 n VAL 582 Cb 0.35 -1.98 0.09 0.00 -0.91 0.00 0.00 33.84 31.38 3hb9 n VAL 582 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hb9 s ARG 583 N 2.93 1.90 0.15 5.55 0.52 -1.26 -5.01 118.95 123.73 3hb9 s ARG 583 Ca 0.85 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.46 3hb9 s ARG 583 Cb -0.56 -2.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.72 3hb9 s ARG 583 CO 0.41 -1.40 1.54 1.15 0.02 0.00 0.00 175.30 177.02 3hb9 h THR 584 N -0.68 1.27 -0.78 0.02 2.02 -1.93 -3.16 112.91 109.68 3hb9 h THR 584 Ca -0.43 -1.35 0.11 0.00 0.77 0.00 0.00 66.41 65.51 3hb9 h THR 584 Cb 1.29 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3hb9 h THR 584 CO 0.53 0.47 0.51 0.50 0.37 0.00 0.00 175.52 177.89 3hb9 h LYS 585 N 0.81 0.62 0.01 6.66 1.63 -1.88 0.25 116.57 124.67 3hb9 h LYS 585 Ca 0.11 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.68 3hb9 h LYS 585 Cb 0.77 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3hb9 h LYS 585 CO 0.06 0.41 -0.88 -0.44 -3.45 0.00 0.00 179.45 175.15 3hb9 h ASP 586 N 0.64 0.11 -0.07 4.20 3.45 -1.94 -2.55 116.42 120.27 3hb9 h ASP 586 Ca 0.37 -0.10 -0.25 0.00 0.43 0.00 0.00 57.03 57.49 3hb9 h ASP 586 Cb 0.56 -0.03 0.02 0.00 -0.56 0.00 0.00 39.33 39.31 3hb9 h ASP 586 CO -0.14 0.94 -0.92 0.24 -1.57 0.00 0.00 179.24 177.79 3hb9 h MET 587 N 0.04 0.74 0.00 3.56 2.86 -1.08 -3.29 114.93 117.76 3hb9 h MET 587 Ca -0.03 -0.71 -0.11 0.00 -2.06 0.00 0.00 59.70 56.79 3hb9 h MET 587 Cb 1.54 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 3hb9 h MET 587 CO 0.12 1.30 -0.52 0.97 1.06 0.00 0.00 176.91 179.84 3hb9 h ILE 588 N 0.45 1.13 -0.83 -1.22 6.09 -0.63 -2.40 117.51 120.09 3hb9 h ILE 588 Ca -0.10 -1.96 -0.02 0.00 -1.37 0.00 0.00 64.86 61.41 3hb9 h ILE 588 Cb 1.57 2.13 -0.04 0.00 0.47 0.00 0.00 36.82 40.95 3hb9 h ILE 588 CO 0.18 0.51 0.43 0.78 -3.07 0.00 0.00 178.15 176.99 3hb9 h ASN 589 N 0.00 1.06 -0.66 2.19 -0.26 -1.52 -2.70 115.58 113.69 3hb9 h ASN 589 Ca -0.01 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3hb9 h ASN 589 Cb 1.09 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3hb9 h ASN 589 CO 0.07 0.88 0.00 2.30 -1.06 0.00 0.00 177.43 179.61 3hb9 n ILE 590 N -4.36 1.37 -0.17 2.81 -6.64 -1.20 -4.58 119.36 106.59 3hb9 n ILE 590 Ca 0.08 -1.10 -0.03 0.00 -1.77 0.00 0.00 62.75 59.93 3hb9 n ILE 590 Cb 0.11 0.33 0.07 0.00 -1.44 0.00 0.00 39.64 38.71 3hb9 n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3hb9 h ALA 591 N 3.99 0.67 -0.52 -1.28 0.00 -1.08 0.33 119.26 121.36 3hb9 h ALA 591 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hb9 h ALA 591 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3hb9 h ALA 591 CO 0.10 -0.15 0.15 0.66 0.00 0.00 0.00 179.25 180.01 3hb9 h SER 592 N 0.43 0.78 -0.26 0.00 4.64 -1.80 -0.53 113.55 116.81 3hb9 h SER 592 Ca 0.25 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3hb9 h SER 592 Cb 0.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hb9 h SER 592 CO -0.22 0.79 -0.00 0.50 -0.87 0.00 0.00 176.83 177.03 3hb9 h LYS 593 N 0.72 0.46 -0.94 4.77 1.63 -1.63 -2.88 116.57 118.70 3hb9 h LYS 593 Ca 0.17 -0.15 0.11 0.00 -0.85 0.00 0.00 60.65 59.93 3hb9 h LYS 593 Cb 0.30 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 3hb9 h LYS 593 CO -0.00 0.63 0.60 1.15 -3.45 0.00 0.00 179.45 178.37 3hb9 h THR 594 N 0.23 0.93 -0.85 1.00 2.02 -0.23 -0.19 112.91 115.83 3hb9 h THR 594 Ca 0.07 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3hb9 h THR 594 Cb 0.42 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 3hb9 h THR 594 CO 0.01 0.16 0.56 0.00 0.37 0.00 0.00 175.52 176.63 3hb9 h ALA 595 N 1.55 1.41 0.06 6.16 0.00 -0.88 -1.77 119.26 125.79 3hb9 h ALA 595 Ca 0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3hb9 h ALA 595 Cb 0.49 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hb9 h ALA 595 CO -0.21 0.54 -0.47 0.22 0.00 0.00 0.00 179.25 179.33 3hb9 h ASP 596 N 1.13 0.31 -0.45 0.00 3.58 -1.11 -3.01 116.42 116.87 3hb9 h ASP 596 Ca 0.31 -0.91 0.04 0.00 0.42 0.00 0.00 57.03 56.89 3hb9 h ASP 596 Cb -0.11 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 3hb9 h ASP 596 CO -0.07 1.19 0.23 0.58 -2.88 0.00 0.00 179.24 178.29 3hb9 h VAL 597 N -0.53 0.97 -0.69 2.25 2.07 -1.02 -2.94 116.25 116.36 3hb9 h VAL 597 Ca -0.08 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 3hb9 h VAL 597 Cb 1.32 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 3hb9 h VAL 597 CO 0.09 0.08 0.22 0.49 0.02 0.00 0.00 177.57 178.47 3hb9 n PHE 598 N -4.90 2.34 0.08 1.57 0.99 -0.67 -3.91 117.46 112.96 3hb9 n PHE 598 Ca 0.03 -1.08 0.21 0.00 -0.00 0.00 0.00 57.45 56.61 3hb9 n PHE 598 Cb 0.11 -0.65 0.74 0.00 -1.00 0.00 0.00 39.48 38.68 3hb9 n PHE 598 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 3hb9 h LYS 599 N 2.85 0.00 -0.20 -1.08 2.10 -1.37 1.00 116.57 119.87 3hb9 h LYS 599 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 3hb9 h LYS 599 Cb 2.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.57 3hb9 h LYS 599 CO 0.68 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.88 3hb9 n ASP 600 N -3.74 2.70 -4.83 7.07 8.00 -1.26 -4.45 116.55 120.04 3hb9 n ASP 600 Ca 0.08 -2.21 -0.32 0.00 0.71 0.00 0.00 54.79 53.05 3hb9 n ASP 600 Cb 0.63 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 3hb9 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hb9 s GLY 601 N -1.26 2.03 0.03 0.44 0.00 0.34 -4.83 107.32 104.07 3hb9 s GLY 601 Ca 0.19 0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 3hb9 s GLY 601 CO 0.09 0.50 1.46 -2.75 0.00 0.00 0.00 173.10 172.40 3hb9 h PHE 602 N 0.62 -0.04 -2.80 1.90 3.57 -1.36 -3.44 116.94 115.39 3hb9 h PHE 602 Ca -0.46 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 3hb9 h PHE 602 Cb 1.20 0.01 -0.13 0.00 2.79 0.00 0.00 35.95 39.82 3hb9 h PHE 602 CO 0.62 0.24 0.26 -1.54 -2.23 0.00 0.00 178.31 175.66 3hb9 s SER 603 N -5.43 -0.54 -0.24 0.41 1.04 -1.24 -3.95 113.70 103.74 3hb9 s SER 603 Ca -0.15 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.27 3hb9 s SER 603 Cb 0.03 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3hb9 s SER 603 CO 0.66 -0.88 0.05 -0.76 0.98 0.00 0.00 173.24 173.29 3hb9 s LEU 604 N -2.58 3.40 -0.34 2.42 1.43 0.97 -2.58 118.68 121.40 3hb9 s LEU 604 Ca 0.01 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 3hb9 s LEU 604 Cb -0.01 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.33 3hb9 s LEU 604 CO -0.11 -0.01 1.10 -0.70 0.23 0.00 0.00 176.35 176.86 3hb9 s GLU 605 N 1.48 4.01 0.00 1.70 2.12 -0.47 -0.30 118.70 127.24 3hb9 s GLU 605 Ca 0.06 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.40 3hb9 s GLU 605 Cb -0.15 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.47 3hb9 s GLU 605 CO 0.03 -0.98 0.71 0.00 -0.54 0.00 0.00 175.26 174.48 3hb9 n MET 606 N 7.03 0.00 -3.83 4.30 0.00 -0.86 -3.02 117.12 120.74 3hb9 n MET 606 Ca 0.12 -0.66 -0.08 0.00 0.00 0.00 0.00 57.70 57.07 3hb9 n MET 606 Cb 0.47 -0.42 -0.03 0.00 0.00 0.00 0.00 33.22 33.24 3hb9 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hb9 s TRP 607 N 0.00 -0.09 0.00 3.17 -0.00 -1.24 -4.81 118.94 115.96 3hb9 s TRP 607 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.80 3hb9 s TRP 607 Cb 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 33.47 34.00 3hb9 s TRP 607 CO 0.00 -1.09 0.00 0.41 -0.00 0.00 0.00 176.95 176.27 3hb9 n GLY 608 N -0.41 -1.84 7.00 5.86 0.00 -1.26 -2.73 105.19 111.80 3hb9 n GLY 608 Ca -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3hb9 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 609 N 0.00 2.84 0.57 -0.02 0.00 -1.20 -2.30 105.19 105.08 3hb9 n GLY 609 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.74 3hb9 n GLY 609 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hb9 n THR 610 N 0.00 0.29 0.04 2.61 -2.24 -1.26 -4.41 114.28 109.30 3hb9 n THR 610 Ca 0.00 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 3hb9 n THR 610 Cb 0.00 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3hb9 n THR 610 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hb9 h THR 611 N 2.11 1.08 -0.31 4.28 1.35 -1.83 -2.02 112.91 117.58 3hb9 h THR 611 Ca 0.00 -0.39 0.06 0.00 -0.55 0.00 0.00 66.41 65.53 3hb9 h THR 611 Cb 0.47 1.34 -0.08 0.00 -1.73 0.00 0.00 68.15 68.15 3hb9 h THR 611 CO 0.00 0.10 -0.45 0.15 -0.25 0.00 0.00 175.52 175.07 3hb9 h PHE 612 N -0.22 -1.30 0.29 4.73 3.57 -1.77 0.16 116.94 122.40 3hb9 h PHE 612 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3hb9 h PHE 612 Cb 0.20 0.61 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3hb9 h PHE 612 CO -0.02 -0.46 -0.14 0.22 -2.23 0.00 0.00 178.31 175.68 3hb9 h ASP 613 N -0.40 -0.33 -0.26 0.41 -0.00 -1.84 -3.03 116.42 110.97 3hb9 h ASP 613 Ca 0.11 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.03 57.03 3hb9 h ASP 613 Cb 0.60 0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 40.00 3hb9 h ASP 613 CO -0.52 -0.15 0.02 0.58 -0.00 0.00 0.00 179.24 179.17 3hb9 h VAL 614 N -0.49 1.20 0.83 2.25 2.07 -1.13 -1.24 116.25 119.75 3hb9 h VAL 614 Ca -0.04 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3hb9 h VAL 614 Cb 0.37 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hb9 h VAL 614 CO 0.07 0.27 -0.50 0.00 0.02 0.00 0.00 177.57 177.43 3hb9 h ALA 615 N 1.48 -1.29 -0.78 1.67 0.00 -0.64 -0.22 119.26 119.48 3hb9 h ALA 615 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hb9 h ALA 615 Cb 0.32 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3hb9 h ALA 615 CO 0.01 -1.24 0.52 1.88 0.00 0.00 0.00 179.25 180.41 3hb9 h TYR 616 N -1.24 0.98 0.00 0.00 0.99 -1.38 0.19 116.97 116.50 3hb9 h TYR 616 Ca -0.11 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3hb9 h TYR 616 Cb 0.99 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 38.39 3hb9 h TYR 616 CO -0.09 0.60 -0.06 -0.97 -0.00 0.00 0.00 178.16 177.64 3hb9 h ASN 617 N 1.04 0.00 0.13 3.88 -0.00 -1.16 -3.27 115.58 116.20 3hb9 h ASN 617 Ca 0.29 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.39 3hb9 h ASN 617 Cb -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.24 3hb9 h ASN 617 CO -0.07 0.22 -0.94 -0.26 -0.00 0.00 0.00 177.43 176.37 3hb9 h PHE 618 N -0.37 0.50 0.00 0.67 -1.00 -1.26 -3.33 116.94 112.15 3hb9 h PHE 618 Ca 0.00 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3hb9 h PHE 618 Cb 0.06 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3hb9 h PHE 618 CO -0.03 1.36 -0.22 -0.07 -1.61 0.00 0.00 178.31 177.75 3hb9 h LEU 619 N -0.38 0.00 -1.52 1.54 3.38 -1.26 -3.48 115.31 113.58 3hb9 h LEU 619 Ca -0.18 -0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.35 3hb9 h LEU 619 Cb 1.65 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.45 3hb9 h LEU 619 CO 0.12 0.01 -0.80 0.29 0.09 0.00 0.00 178.44 178.15 3hb9 n LYS 620 N -2.81 -5.41 -4.02 1.13 4.01 0.44 -4.87 118.16 106.63 3hb9 n LYS 620 Ca 0.04 0.65 -0.11 0.00 -0.51 0.00 0.00 58.31 58.38 3hb9 n LYS 620 Cb 0.51 -5.36 -0.11 0.00 -0.51 0.00 0.00 35.03 29.56 3hb9 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hb9 s GLU 621 N -6.09 0.41 -0.35 1.97 -1.05 0.05 -4.63 118.70 109.01 3hb9 s GLU 621 Ca 0.19 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 3hb9 s GLU 621 Cb -0.09 -0.05 0.01 0.00 -0.44 0.00 0.00 34.13 33.56 3hb9 s GLU 621 CO 0.80 -0.01 1.23 1.21 0.95 0.00 0.00 175.26 179.44 3hb9 s ASN 622 N -1.59 6.68 0.57 0.83 3.04 -1.26 -2.64 114.94 120.57 3hb9 s ASN 622 Ca -0.12 0.98 0.38 0.00 0.04 0.00 0.00 52.86 54.14 3hb9 s ASN 622 Cb -0.09 -2.54 1.90 0.00 -1.54 0.00 0.00 41.25 38.98 3hb9 s ASN 622 CO -0.01 -1.11 2.14 1.55 -3.04 0.00 0.00 177.10 176.63 3hb9 h PRO 623 N 9.19 0.00 -0.03 0.43 0.13 -1.91 -1.08 132.00 138.73 3hb9 h PRO 623 Ca -0.24 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 3hb9 h PRO 623 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3hb9 h PRO 623 CO 1.06 0.00 -0.74 -1.49 -0.23 0.00 0.00 178.00 176.59 3hb9 h TRP 624 N 0.00 0.28 -0.25 1.56 4.06 -1.98 -2.52 115.95 117.11 3hb9 h TRP 624 Ca 0.00 -0.13 -0.11 0.00 2.06 0.00 0.00 58.89 60.71 3hb9 h TRP 624 Cb 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 3hb9 h TRP 624 CO 0.00 0.87 -0.25 0.93 -3.56 0.00 0.00 178.44 176.43 3hb9 h GLU 625 N 0.13 0.61 -0.61 0.49 5.08 -1.61 -1.73 114.58 116.95 3hb9 h GLU 625 Ca -0.02 -0.33 0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3hb9 h GLU 625 Cb 1.31 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.48 3hb9 h GLU 625 CO 0.11 0.93 0.10 -0.09 -1.00 0.00 0.00 179.01 179.05 3hb9 h ARG 626 N 0.33 0.21 0.15 2.33 2.43 -1.40 -0.64 114.38 117.78 3hb9 h ARG 626 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hb9 h ARG 626 Cb 0.82 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hb9 h ARG 626 CO 0.06 0.14 -0.07 1.25 -1.51 0.00 0.00 179.97 179.84 3hb9 h LEU 627 N 0.22 -0.17 -0.72 3.80 5.85 -1.41 -2.25 115.31 120.63 3hb9 h LEU 627 Ca 0.32 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3hb9 h LEU 627 Cb 0.49 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3hb9 h LEU 627 CO -0.44 0.15 0.47 -0.33 -0.34 0.00 0.00 178.44 177.95 3hb9 h GLU 628 N -0.49 0.91 -0.20 1.25 5.08 -1.07 0.53 114.58 120.58 3hb9 h GLU 628 Ca -0.02 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 3hb9 h GLU 628 Cb 0.39 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hb9 h GLU 628 CO 0.03 0.60 -0.62 0.00 -1.00 0.00 0.00 179.01 178.03 3hb9 h ARG 629 N 0.93 0.78 -0.20 2.33 3.08 -1.18 -2.25 114.38 117.87 3hb9 h ARG 629 Ca 0.28 -0.56 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 3hb9 h ARG 629 Cb -0.05 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3hb9 h ARG 629 CO -0.08 1.18 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.70 3hb9 h LEU 630 N 0.51 0.36 -0.50 3.04 3.38 -1.23 -2.74 115.31 118.14 3hb9 h LEU 630 Ca -0.02 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3hb9 h LEU 630 Cb 1.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3hb9 h LEU 630 CO 0.13 0.61 -0.00 -0.09 0.09 0.00 0.00 178.44 179.18 3hb9 h ARG 631 N 0.33 0.89 0.00 1.13 9.65 -0.74 0.10 114.38 125.74 3hb9 h ARG 631 Ca 0.05 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.58 3hb9 h ARG 631 Cb 0.60 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3hb9 h ARG 631 CO 0.04 0.92 -0.31 -0.22 2.80 0.00 0.00 179.97 183.20 3hb9 h LYS 632 N 0.75 0.00 0.00 0.20 3.64 -1.33 -3.18 116.57 116.65 3hb9 h LYS 632 Ca 0.14 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.31 3hb9 h LYS 632 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3hb9 h LYS 632 CO 0.03 0.31 -1.53 0.00 -2.27 0.00 0.00 179.45 175.98 3hb9 n ALA 633 N -2.36 1.77 -3.60 5.00 0.00 -1.04 -4.49 120.51 115.80 3hb9 n ALA 633 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 53.44 52.53 3hb9 n ALA 633 Cb 0.40 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 3hb9 n ALA 633 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hb9 n ILE 634 N -2.94 1.48 1.67 0.00 5.41 0.33 -4.54 119.36 120.76 3hb9 n ILE 634 Ca -0.12 -4.81 0.10 0.00 1.00 0.00 0.00 62.75 58.92 3hb9 n ILE 634 Cb 0.92 -2.08 0.49 0.00 -0.71 0.00 0.00 39.64 38.26 3hb9 n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hb9 n PRO 635 N 1.53 1.32 -0.05 0.38 -0.04 -1.22 -4.19 135.00 132.72 3hb9 n PRO 635 Ca 0.25 -0.48 -0.06 0.00 -0.04 0.00 0.00 63.50 63.17 3hb9 n PRO 635 Cb 0.40 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3hb9 n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hb9 n ASN 636 N -0.31 2.46 -4.87 3.54 6.94 -1.26 -4.68 115.26 117.08 3hb9 n ASN 636 Ca 0.15 -0.01 -0.37 0.00 -0.02 0.00 0.00 54.58 54.33 3hb9 n ASN 636 Cb 0.18 0.66 -0.06 0.00 -2.36 0.00 0.00 39.78 38.21 3hb9 n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hb9 s VAL 637 N -2.26 5.38 0.35 3.53 1.01 -1.26 -1.01 120.40 126.15 3hb9 s VAL 637 Ca -0.07 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 3hb9 s VAL 637 Cb 0.03 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 3hb9 s VAL 637 CO 0.42 0.59 1.53 0.18 0.00 0.00 0.00 175.10 177.82 3hb9 n LEU 638 N 1.89 4.66 -4.71 3.92 4.77 -1.25 -4.64 117.00 121.64 3hb9 n LEU 638 Ca -0.18 1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 56.63 3hb9 n LEU 638 Cb 0.54 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 3hb9 n LEU 638 CO 0.33 0.17 0.05 -0.36 -1.33 0.00 0.00 177.39 176.25 3hb9 s PHE 639 N -0.74 3.44 -0.05 -1.77 0.40 -1.26 -0.02 117.98 117.97 3hb9 s PHE 639 Ca 0.57 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.60 3hb9 s PHE 639 Cb -0.48 -2.44 -0.02 0.00 0.51 0.00 0.00 43.02 40.59 3hb9 s PHE 639 CO 0.59 0.14 -0.20 -1.14 0.70 0.00 0.00 175.22 175.31 3hb9 s GLN 640 N 0.77 2.52 0.13 0.44 0.74 0.58 -0.78 119.66 124.05 3hb9 s GLN 640 Ca 0.19 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.85 3hb9 s GLN 640 Cb -0.14 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.68 3hb9 s GLN 640 CO 0.06 0.49 -0.17 0.00 -0.55 0.00 0.00 175.29 175.13 3hb9 s MET 641 N -0.41 1.09 -0.19 1.67 0.23 -0.41 -2.02 119.30 119.27 3hb9 s MET 641 Ca 0.04 -1.24 -0.18 0.00 -1.03 0.00 0.00 55.69 53.28 3hb9 s MET 641 Cb -0.12 -1.11 -0.03 0.00 -1.53 0.00 0.00 34.83 32.03 3hb9 s MET 641 CO 0.02 0.23 0.50 -1.17 -2.03 0.00 0.00 175.02 172.57 3hb9 s LEU 642 N -2.33 4.17 -0.17 0.18 2.96 -1.10 -1.65 118.68 120.73 3hb9 s LEU 642 Ca 0.09 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 3hb9 s LEU 642 Cb -0.07 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.95 3hb9 s LEU 642 CO 0.04 -0.14 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.53 3hb9 s LEU 643 N 1.43 2.02 0.13 -0.68 2.96 -0.12 -3.25 118.68 121.18 3hb9 s LEU 643 Ca 0.24 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 3hb9 s LEU 643 Cb -0.15 -1.39 -0.07 0.00 0.50 0.00 0.00 46.19 45.08 3hb9 s LEU 643 CO 0.10 -0.02 1.11 -0.60 -1.32 0.00 0.00 176.35 175.62 3hb9 s ARG 644 N 1.35 4.55 0.36 1.98 3.52 -0.23 -2.13 118.95 128.35 3hb9 s ARG 644 Ca 0.05 1.70 0.09 0.00 -0.13 0.00 0.00 55.73 57.44 3hb9 s ARG 644 Cb -0.13 -3.31 0.82 0.00 -1.56 0.00 0.00 34.95 30.77 3hb9 s ARG 644 CO -0.12 -0.01 1.88 0.00 -0.81 0.00 0.00 175.30 176.24 3hb9 h ALA 645 N 5.66 1.83 0.03 6.12 0.00 -0.95 -1.86 119.26 130.09 3hb9 h ALA 645 Ca -0.43 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 3hb9 h ALA 645 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hb9 h ALA 645 CO 0.75 -0.05 -1.28 0.66 0.00 0.00 0.00 179.25 179.32 3hb9 h SER 646 N 0.69 0.11 0.00 0.00 4.64 -1.84 -3.41 113.55 113.74 3hb9 h SER 646 Ca 0.43 -0.66 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 3hb9 h SER 646 Cb 0.67 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 62.58 3hb9 h SER 646 CO -0.19 1.52 -0.62 -0.46 -0.87 0.00 0.00 176.83 176.22 3hb9 n ASN 647 N -4.24 1.25 0.00 4.97 6.94 -1.23 -4.57 115.26 118.38 3hb9 n ASN 647 Ca -0.29 -2.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 3hb9 n ASN 647 Cb 0.75 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 3hb9 n ASN 647 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hb9 n ALA 648 N -0.39 0.00 -1.29 -2.53 0.00 -0.70 0.07 120.51 115.67 3hb9 n ALA 648 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hb9 n ALA 648 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3hb9 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hb9 n VAL 649 N 0.00 0.00 -0.80 0.00 3.14 -1.26 -1.07 118.33 118.34 3hb9 n VAL 649 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hb9 n VAL 649 Cb 0.00 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.99 3hb9 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hb9 n GLY 650 N 0.00 0.25 0.00 7.55 0.00 0.11 -4.72 105.19 108.38 3hb9 n GLY 650 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3hb9 n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hb9 n TYR 651 N -0.07 0.00 -2.18 1.61 0.18 -1.26 -4.99 117.16 110.46 3hb9 n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3hb9 n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3hb9 n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hb9 n LYS 652 N -1.51 3.91 -3.98 -3.48 2.85 -1.26 -5.14 118.16 109.55 3hb9 n LYS 652 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3hb9 n LYS 652 Cb 0.21 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.54 3hb9 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hb9 s ASN 653 N 0.56 6.06 0.05 -5.58 0.01 -1.26 -4.67 114.94 110.11 3hb9 s ASN 653 Ca 0.00 0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.39 3hb9 s ASN 653 Cb 0.00 -1.82 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 3hb9 s ASN 653 CO 0.00 0.23 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.44 3hb9 s TYR 654 N -1.35 0.69 0.87 2.20 1.51 -1.26 -5.09 117.35 114.92 3hb9 s TYR 654 Ca 0.28 -0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 55.62 3hb9 s TYR 654 Cb -0.12 -0.42 0.11 0.00 -0.11 0.00 0.00 41.96 41.42 3hb9 s TYR 654 CO 0.20 -0.11 1.10 -1.25 -1.11 0.00 0.00 175.55 174.37 3hb9 s PRO 655 N -2.14 1.47 0.22 -1.71 0.04 -1.26 -4.58 135.00 127.02 3hb9 s PRO 655 Ca -0.05 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 3hb9 s PRO 655 Cb -0.06 -1.82 0.31 0.00 0.04 0.00 0.00 34.50 32.97 3hb9 s PRO 655 CO -0.01 -2.16 1.75 -0.44 0.04 0.00 0.00 177.00 176.18 3hb9 h ASP 656 N -1.50 0.31 0.08 6.66 3.32 -1.88 -2.02 116.42 121.39 3hb9 h ASP 656 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hb9 h ASP 656 Cb 1.26 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3hb9 h ASP 656 CO 0.51 0.18 0.00 -0.46 -1.72 0.00 0.00 179.24 177.75 3hb9 n ASN 657 N -4.95 0.29 -0.00 6.45 6.94 -1.26 -0.55 115.26 122.18 3hb9 n ASN 657 Ca 0.10 0.63 -0.17 0.00 -0.02 0.00 0.00 54.58 55.12 3hb9 n ASN 657 Cb 0.28 -0.67 -0.12 0.00 -2.36 0.00 0.00 39.78 36.91 3hb9 n ASN 657 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3hb9 h VAL 658 N 0.00 1.54 0.05 3.53 2.07 -1.72 -2.37 116.25 119.34 3hb9 h VAL 658 Ca 0.00 -2.18 -0.00 0.00 0.82 0.00 0.00 66.70 65.33 3hb9 h VAL 658 Cb 0.04 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3hb9 h VAL 658 CO 0.00 0.61 -0.03 0.40 0.02 0.00 0.00 177.57 178.57 3hb9 h ILE 659 N -0.42 0.97 -0.09 4.57 1.08 -0.89 -1.68 117.51 121.05 3hb9 h ILE 659 Ca -0.07 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3hb9 h ILE 659 Cb 1.25 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 3hb9 h ILE 659 CO 0.09 0.02 -0.11 0.45 -0.69 0.00 0.00 178.15 177.91 3hb9 h HIS 660 N -0.11 -0.27 -0.58 1.37 3.86 -1.35 -0.38 115.15 117.69 3hb9 h HIS 660 Ca -0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3hb9 h HIS 660 Cb 0.09 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3hb9 h HIS 660 CO -0.06 -0.16 0.33 -0.22 0.86 0.00 0.00 177.93 178.67 3hb9 h LYS 661 N -0.14 0.63 -0.31 2.45 1.63 -1.36 0.15 116.57 119.61 3hb9 h LYS 661 Ca 0.07 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 3hb9 h LYS 661 Cb 0.24 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3hb9 h LYS 661 CO -0.18 0.42 -0.26 0.35 -3.45 0.00 0.00 179.45 176.33 3hb9 h PHE 662 N 0.65 0.72 -0.31 1.91 3.57 -1.08 -0.83 116.94 121.55 3hb9 h PHE 662 Ca 0.24 -0.16 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 3hb9 h PHE 662 Cb 0.08 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3hb9 h PHE 662 CO -0.07 0.83 -0.38 0.28 -2.23 0.00 0.00 178.31 176.73 3hb9 h VAL 663 N 0.55 1.29 -0.63 1.41 2.07 -0.58 -1.10 116.25 119.26 3hb9 h VAL 663 Ca 0.07 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3hb9 h VAL 663 Cb 0.73 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3hb9 h VAL 663 CO 0.06 0.51 0.38 1.56 0.02 0.00 0.00 177.57 180.10 3hb9 h GLN 664 N 0.59 0.85 -0.20 1.57 1.08 -0.59 -1.90 115.11 116.51 3hb9 h GLN 664 Ca 0.04 -0.07 -0.19 0.00 -1.45 0.00 0.00 58.65 56.98 3hb9 h GLN 664 Cb 0.97 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3hb9 h GLN 664 CO 0.09 0.60 -0.62 0.93 -0.95 0.00 0.00 178.83 178.88 3hb9 h GLU 665 N 0.85 0.69 -0.31 1.46 4.39 -1.10 -2.61 114.58 117.95 3hb9 h GLU 665 Ca 0.23 -0.48 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 3hb9 h GLU 665 Cb -0.03 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hb9 h GLU 665 CO -0.04 1.10 -0.16 0.77 -1.16 0.00 0.00 179.01 179.52 3hb9 h SER 666 N 0.51 0.68 -0.93 1.42 0.02 -1.13 -1.92 113.55 112.21 3hb9 h SER 666 Ca -0.01 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3hb9 h SER 666 Cb 1.21 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 3hb9 h SER 666 CO 0.13 0.94 0.55 0.00 -1.14 0.00 0.00 176.83 177.30 3hb9 h ALA 667 N 0.76 1.21 -0.48 3.77 0.00 -1.39 -1.59 119.26 121.55 3hb9 h ALA 667 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hb9 h ALA 667 Cb 0.69 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hb9 h ALA 667 CO 0.05 0.66 0.22 -0.22 0.00 0.00 0.00 179.25 179.96 3hb9 h LYS 668 N 1.29 0.69 0.00 0.00 3.64 -1.32 -2.72 116.57 118.15 3hb9 h LYS 668 Ca 0.33 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3hb9 h LYS 668 Cb -0.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3hb9 h LYS 668 CO -0.06 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 3hb9 h ALA 669 N 1.06 1.00 0.00 5.00 0.00 -1.05 -3.46 119.26 121.81 3hb9 h ALA 669 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hb9 h ALA 669 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hb9 h ALA 669 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3hb9 n GLY 670 N 0.35 -0.57 3.73 0.00 0.00 -0.90 -4.45 105.19 103.34 3hb9 n GLY 670 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3hb9 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb9 s ILE 671 N -0.17 3.39 -0.07 -0.61 -1.09 -0.65 -4.48 121.20 117.52 3hb9 s ILE 671 Ca 0.00 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.51 3hb9 s ILE 671 Cb 0.00 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3hb9 s ILE 671 CO 0.00 0.13 -0.05 0.47 -1.23 0.00 0.00 174.94 174.26 3hb9 n ASP 672 N 3.20 3.45 -4.16 3.58 10.43 0.04 -4.33 116.55 128.76 3hb9 n ASP 672 Ca 0.08 -0.03 -0.34 0.00 2.57 0.00 0.00 54.79 57.06 3hb9 n ASP 672 Cb 0.43 0.02 -0.14 0.00 1.84 0.00 0.00 41.12 43.27 3hb9 n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hb9 s VAL 673 N -2.15 2.81 -0.42 2.53 1.01 -0.22 -0.53 120.40 123.42 3hb9 s VAL 673 Ca -0.09 -1.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 3hb9 s VAL 673 Cb 0.02 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3hb9 s VAL 673 CO 0.18 -0.02 0.31 -0.36 0.00 0.00 0.00 175.10 175.21 3hb9 s PHE 674 N 1.24 3.24 -0.61 5.22 0.08 0.12 -1.28 117.98 125.99 3hb9 s PHE 674 Ca -0.05 -0.65 -0.23 0.00 0.12 0.00 0.00 56.93 56.12 3hb9 s PHE 674 Cb -0.19 -2.66 0.06 0.00 -0.57 0.00 0.00 43.02 39.65 3hb9 s PHE 674 CO -0.03 -0.62 0.92 0.50 -0.10 0.00 0.00 175.22 175.90 3hb9 s ARG 675 N 1.67 3.18 -0.24 0.44 3.52 -0.66 -0.38 118.95 126.48 3hb9 s ARG 675 Ca 0.05 -0.66 -0.21 0.00 -0.13 0.00 0.00 55.73 54.78 3hb9 s ARG 675 Cb -0.20 -4.16 -0.02 0.00 -1.56 0.00 0.00 34.95 29.02 3hb9 s ARG 675 CO 0.09 -1.65 0.66 0.42 -0.81 0.00 0.00 175.30 174.01 3hb9 s ILE 676 N 3.89 4.96 0.09 4.11 -1.09 0.53 -0.94 121.20 132.74 3hb9 s ILE 676 Ca 0.24 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.95 3hb9 s ILE 676 Cb -0.16 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3hb9 s ILE 676 CO 0.13 0.02 -0.19 0.72 -1.23 0.00 0.00 174.94 174.39 3hb9 s PHE 677 N 2.49 1.62 -0.08 3.97 -0.71 -0.90 -1.29 117.98 123.09 3hb9 s PHE 677 Ca 0.28 -0.42 0.04 0.00 -1.04 0.00 0.00 56.93 55.78 3hb9 s PHE 677 Cb -0.15 -0.90 -0.02 0.00 -1.21 0.00 0.00 43.02 40.74 3hb9 s PHE 677 CO 0.08 0.15 -0.19 0.34 -1.34 0.00 0.00 175.22 174.27 3hb9 s ASP 678 N -1.78 3.60 0.59 1.98 -1.08 -1.26 -0.31 116.67 118.40 3hb9 s ASP 678 Ca 0.04 -0.38 0.29 0.00 -0.52 0.00 0.00 52.55 51.98 3hb9 s ASP 678 Cb -0.10 -1.09 1.58 0.00 -1.46 0.00 0.00 42.92 41.85 3hb9 s ASP 678 CO 0.03 0.25 2.01 0.28 0.52 0.00 0.00 175.17 178.26 3hb9 h SER 679 N 6.08 0.00 0.00 -0.34 0.02 -1.90 -0.84 113.55 116.58 3hb9 h SER 679 Ca -0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3hb9 h SER 679 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3hb9 h SER 679 CO 0.50 0.00 -0.32 0.18 -1.14 0.00 0.00 176.83 176.05 3hb9 n LEU 680 N -3.75 2.24 -2.33 5.07 4.77 -1.26 -4.33 117.00 117.40 3hb9 n LEU 680 Ca 0.04 -3.21 -0.13 0.00 -0.03 0.00 0.00 56.01 52.68 3hb9 n LEU 680 Cb 0.47 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3hb9 n LEU 680 CO 0.27 0.96 -0.17 0.59 -1.33 0.00 0.00 177.39 177.72 3hb9 n ASN 681 N -1.06 -4.08 -4.49 -1.43 3.02 -0.32 -4.48 115.26 102.42 3hb9 n ASN 681 Ca 0.15 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.46 3hb9 n ASN 681 Cb 0.70 -3.49 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 3hb9 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hb9 s TRP 682 N -2.61 2.76 0.19 3.10 -0.00 -1.26 -4.93 118.94 116.19 3hb9 s TRP 682 Ca 0.00 -0.29 -0.12 0.00 -0.00 0.00 0.00 56.10 55.69 3hb9 s TRP 682 Cb 0.00 -4.12 0.17 0.00 -0.00 0.00 0.00 33.47 29.53 3hb9 s TRP 682 CO 0.00 -1.45 1.78 0.28 -0.00 0.00 0.00 176.95 177.56 3hb9 h VAL 683 N 5.98 0.93 -1.05 5.86 2.07 -1.96 -2.28 116.25 125.80 3hb9 h VAL 683 Ca -0.27 -0.18 0.28 0.00 0.82 0.00 0.00 66.70 67.35 3hb9 h VAL 683 Cb 1.07 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3hb9 h VAL 683 CO 1.12 0.09 0.69 0.44 0.02 0.00 0.00 177.57 179.93 3hb9 h ASP 684 N 0.51 0.36 0.76 0.57 3.32 -2.02 0.27 116.42 120.19 3hb9 h ASP 684 Ca 0.25 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3hb9 h ASP 684 Cb 0.18 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hb9 h ASP 684 CO -0.18 0.07 0.00 1.67 -1.72 0.00 0.00 179.24 179.07 3hb9 n GLN 685 N -4.54 0.19 0.00 3.56 7.27 -0.86 -3.22 117.38 119.77 3hb9 n GLN 685 Ca 0.25 0.02 0.12 0.00 0.07 0.00 0.00 57.00 57.46 3hb9 n GLN 685 Cb 0.93 -1.50 0.20 0.00 2.41 0.00 0.00 30.24 32.29 3hb9 n GLN 685 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3hb9 n MET 686 N -1.40 0.00 -0.12 3.69 2.81 0.94 -4.26 117.12 118.78 3hb9 n MET 686 Ca 0.10 -0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 3hb9 n MET 686 Cb 0.28 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3hb9 n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hb9 h LYS 687 N 0.00 0.89 0.18 0.03 1.57 -1.60 -1.68 116.57 115.97 3hb9 h LYS 687 Ca 0.00 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3hb9 h LYS 687 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hb9 h LYS 687 CO 0.00 1.10 -0.09 0.28 -0.57 0.00 0.00 179.45 180.18 3hb9 h VAL 688 N 0.70 0.86 -0.71 0.50 2.07 -1.82 -1.03 116.25 116.82 3hb9 h VAL 688 Ca 0.06 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3hb9 h VAL 688 Cb 0.92 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3hb9 h VAL 688 CO 0.09 0.05 0.45 0.00 0.02 0.00 0.00 177.57 178.17 3hb9 h ALA 689 N 0.46 0.93 0.29 1.67 0.00 -1.79 -2.08 119.26 118.73 3hb9 h ALA 689 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hb9 h ALA 689 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hb9 h ALA 689 CO 0.04 0.23 -0.39 -0.97 0.00 0.00 0.00 179.25 178.16 3hb9 h ASN 690 N 0.87 -1.10 -0.76 0.00 -1.24 -1.09 -2.02 115.58 110.26 3hb9 h ASN 690 Ca 0.29 0.10 0.15 0.00 0.71 0.00 0.00 56.30 57.55 3hb9 h ASN 690 Cb 0.02 0.38 -0.10 0.00 0.73 0.00 0.00 38.32 39.34 3hb9 h ASN 690 CO -0.11 -0.48 0.28 -0.33 -1.29 0.00 0.00 177.43 175.50 3hb9 h GLU 691 N -0.70 0.39 -0.74 6.67 5.08 -1.12 0.22 114.58 124.38 3hb9 h GLU 691 Ca -0.03 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3hb9 h GLU 691 Cb 0.63 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3hb9 h GLU 691 CO -0.10 0.26 0.44 0.00 -1.00 0.00 0.00 179.01 178.60 3hb9 h ALA 692 N 1.57 1.01 -0.18 3.43 0.00 -1.15 -1.03 119.26 122.91 3hb9 h ALA 692 Ca 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3hb9 h ALA 692 Cb 0.68 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hb9 h ALA 692 CO -0.44 0.14 -0.11 0.28 0.00 0.00 0.00 179.25 179.12 3hb9 h VAL 693 N 0.80 1.32 -0.85 0.00 2.07 -0.39 -2.08 116.25 117.11 3hb9 h VAL 693 Ca 0.33 -1.20 0.15 0.00 0.82 0.00 0.00 66.70 66.80 3hb9 h VAL 693 Cb 0.17 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 3hb9 h VAL 693 CO -0.17 0.36 0.43 1.56 0.02 0.00 0.00 177.57 179.76 3hb9 h GLN 694 N 0.06 0.57 0.00 1.57 1.08 -0.59 -0.22 115.11 117.58 3hb9 h GLN 694 Ca 0.04 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3hb9 h GLN 694 Cb 0.61 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3hb9 h GLN 694 CO 0.03 0.38 -0.59 0.93 -0.95 0.00 0.00 178.83 178.63 3hb9 h GLU 695 N 0.59 0.00 0.00 1.46 5.08 -1.16 -2.78 114.58 117.77 3hb9 h GLU 695 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3hb9 h GLU 695 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3hb9 h GLU 695 CO -0.38 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 3hb9 n ALA 696 N -2.42 1.89 -1.05 3.43 0.00 -0.15 -4.89 120.51 117.32 3hb9 n ALA 696 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 3hb9 n ALA 696 Cb 0.59 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3hb9 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 697 N 0.51 0.53 2.50 0.00 0.00 -0.86 -5.01 105.19 102.87 3hb9 n GLY 697 Ca 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 3hb9 n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hb9 n LYS 698 N -2.89 0.88 -3.39 1.61 4.76 -1.13 -4.53 118.16 113.47 3hb9 n LYS 698 Ca -0.02 -2.16 -0.38 0.00 -2.87 0.00 0.00 58.31 52.89 3hb9 n LYS 698 Cb 0.07 0.09 -0.07 0.00 -1.84 0.00 0.00 35.03 33.28 3hb9 n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hb9 s ILE 699 N -1.61 5.22 -0.20 -0.18 1.01 0.31 -4.68 121.20 121.06 3hb9 s ILE 699 Ca 0.28 0.77 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 3hb9 s ILE 699 Cb -0.02 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3hb9 s ILE 699 CO 0.18 0.31 -0.10 -0.55 0.00 0.00 0.00 174.94 174.77 3hb9 s SER 700 N 0.75 3.90 -0.33 3.58 0.15 -1.26 0.12 113.70 120.62 3hb9 s SER 700 Ca 0.21 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 3hb9 s SER 700 Cb -0.14 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 3hb9 s SER 700 CO 0.08 -0.00 0.20 -1.61 1.20 0.00 0.00 173.24 173.11 3hb9 s GLU 701 N 1.34 3.42 -0.32 5.44 2.02 0.49 -1.08 118.70 130.02 3hb9 s GLU 701 Ca 0.04 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 3hb9 s GLU 701 Cb -0.14 -3.71 0.02 0.00 0.10 0.00 0.00 34.13 30.40 3hb9 s GLU 701 CO -0.06 -0.44 1.07 0.20 0.02 0.00 0.00 175.26 176.05 3hb9 s GLY 702 N 1.68 1.55 -0.13 -1.39 0.00 -0.13 -0.35 107.32 108.54 3hb9 s GLY 702 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.63 3hb9 s GLY 702 CO 0.09 2.26 0.08 -1.59 0.00 0.00 0.00 173.10 173.93 3hb9 s THR 703 N 3.65 4.96 -0.23 0.90 2.01 -0.41 -0.41 115.64 126.12 3hb9 s THR 703 Ca 0.45 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.40 3hb9 s THR 703 Cb -0.12 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3hb9 s THR 703 CO 0.16 0.56 0.03 -0.63 -0.69 0.00 0.00 174.62 174.04 3hb9 s ILE 704 N -0.48 4.01 -0.16 1.82 1.01 0.13 -4.62 121.20 122.91 3hb9 s ILE 704 Ca 0.10 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3hb9 s ILE 704 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3hb9 s ILE 704 CO 0.02 0.38 0.98 0.00 0.00 0.00 0.00 174.94 176.33 3hb9 s TYR 706 N 2.41 3.69 0.15 0.00 5.04 -0.28 -4.96 117.35 123.39 3hb9 s TYR 706 Ca 0.45 1.61 -0.04 0.00 -2.44 0.00 0.00 57.07 56.66 3hb9 s TYR 706 Cb -0.17 -3.01 -0.03 0.00 0.35 0.00 0.00 41.96 39.10 3hb9 s TYR 706 CO 0.13 0.09 0.14 -0.08 -1.34 0.00 0.00 175.55 174.50 3hb9 s THR 707 N 0.62 0.08 0.00 4.34 -1.32 -1.26 -4.60 115.64 113.50 3hb9 s THR 707 Ca 0.47 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 3hb9 s THR 707 Cb -0.21 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 3hb9 s THR 707 CO 0.26 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 3hb9 n GLY 708 N -0.16 -0.58 2.78 6.08 0.00 -1.26 -4.78 105.19 107.27 3hb9 n GLY 708 Ca -0.05 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 3hb9 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hb9 s ASP 709 N -4.00 1.16 0.41 1.61 3.68 -1.26 -4.88 116.67 113.39 3hb9 s ASP 709 Ca 0.00 -1.28 0.21 0.00 2.13 0.00 0.00 52.55 53.61 3hb9 s ASP 709 Cb 0.00 0.62 1.15 0.00 -1.45 0.00 0.00 42.92 43.24 3hb9 s ASP 709 CO 0.00 -0.29 1.60 0.16 0.13 0.00 0.00 175.17 176.76 3hb9 h ILE 710 N 5.42 0.00 0.00 4.11 3.07 -1.86 0.25 117.51 128.49 3hb9 h ILE 710 Ca -0.00 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.37 3hb9 h ILE 710 Cb 1.07 0.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 3hb9 h ILE 710 CO 0.23 0.00 -0.17 -0.07 -1.05 0.00 0.00 178.15 177.10 3hb9 h LEU 711 N 0.00 0.00 -7.97 0.16 3.38 -1.96 -3.42 115.31 105.49 3hb9 h LEU 711 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3hb9 h LEU 711 Cb 0.39 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.81 3hb9 h LEU 711 CO 0.00 0.17 -0.62 0.21 0.09 0.00 0.00 178.44 178.29 3hb9 s ASN 712 N -6.10 5.13 0.35 -0.43 3.84 0.88 -4.95 114.94 113.67 3hb9 s ASN 712 Ca 0.02 -1.58 0.26 0.00 0.21 0.00 0.00 52.86 51.77 3hb9 s ASN 712 Cb 0.09 -1.79 1.17 0.00 -0.55 0.00 0.00 41.25 40.17 3hb9 s ASN 712 CO 0.63 -0.40 1.79 -0.65 -2.79 0.00 0.00 177.10 175.68 3hb9 h PRO 713 N 8.06 0.00 0.00 0.43 0.11 -1.82 -2.22 132.00 136.56 3hb9 h PRO 713 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3hb9 h PRO 713 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hb9 h PRO 713 CO 0.62 0.00 -0.78 -1.91 -0.21 0.00 0.00 178.00 175.72 3hb9 n GLU 714 N -2.45 0.21 0.10 1.05 2.13 -1.26 -4.45 120.64 115.97 3hb9 n GLU 714 Ca 0.01 0.02 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 3hb9 n GLU 714 Cb 0.20 -1.59 -0.05 0.00 0.27 0.00 0.00 31.44 30.27 3hb9 n GLU 714 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3hb9 h ARG 715 N 0.00 -0.33 -4.05 5.31 9.65 -1.71 -3.46 114.38 119.79 3hb9 h ARG 715 Ca 0.00 0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 3hb9 h ARG 715 Cb 0.67 0.07 -0.22 0.00 -1.39 0.00 0.00 29.97 29.10 3hb9 h ARG 715 CO 0.00 -0.08 -0.71 0.45 2.80 0.00 0.00 179.97 182.43 3hb9 s SER 716 N -5.23 0.32 0.00 -3.80 0.15 -1.26 -5.01 113.70 98.86 3hb9 s SER 716 Ca -0.09 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.39 3hb9 s SER 716 Cb 0.00 0.07 0.59 0.00 -1.71 0.00 0.00 66.02 64.97 3hb9 s SER 716 CO 0.29 -0.24 1.46 -3.20 1.20 0.00 0.00 173.24 172.76 3hb9 n ASN 717 N 1.81 1.53 -0.06 5.45 5.15 -1.26 -4.56 115.26 123.32 3hb9 n ASN 717 Ca -0.22 -1.26 -0.13 0.00 -0.60 0.00 0.00 54.58 52.38 3hb9 n ASN 717 Cb 0.56 0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.94 3hb9 n ASN 717 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3hb9 n ILE 717 N -0.16 0.79 -1.92 -1.44 -0.00 -1.26 -4.74 119.36 110.62 3hb9 n ILE 717 Ca 0.13 -0.13 -0.41 0.00 -0.00 0.00 0.00 62.75 62.34 3hb9 n ILE 717 Cb 0.40 -1.71 -0.01 0.00 -0.00 0.00 0.00 39.64 38.33 3hb9 n ILE 717 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3hb9 n TYR 718 N -3.62 2.81 -2.52 1.39 4.02 -1.26 -4.65 117.16 113.32 3hb9 n TYR 718 Ca -0.23 -2.89 -0.26 0.00 -0.01 0.00 0.00 57.90 54.50 3hb9 n TYR 718 Cb 0.63 -2.11 0.02 0.00 -0.02 0.00 0.00 39.34 37.86 3hb9 n TYR 718 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3hb9 s THR 719 N 0.65 3.99 0.34 -0.72 2.01 -1.26 -4.55 115.64 116.10 3hb9 s THR 719 Ca 0.52 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.61 3hb9 s THR 719 Cb 0.15 -3.55 0.33 0.00 0.01 0.00 0.00 72.50 69.44 3hb9 s THR 719 CO -0.06 -0.54 1.79 0.25 -0.69 0.00 0.00 174.62 175.37 3hb9 h LEU 720 N -0.01 0.66 0.00 4.42 5.85 -1.92 -1.26 115.31 123.05 3hb9 h LEU 720 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3hb9 h LEU 720 Cb 1.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3hb9 h LEU 720 CO 0.60 0.21 -0.23 -1.84 -0.34 0.00 0.00 178.44 176.85 3hb9 n GLU 721 N -4.71 0.05 -0.09 1.25 0.28 -1.26 -2.15 120.64 114.01 3hb9 n GLU 721 Ca 0.23 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 57.12 3hb9 n GLU 721 Cb 0.66 -1.55 -0.04 0.00 1.43 0.00 0.00 31.44 31.95 3hb9 n GLU 721 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3hb9 h TYR 722 N 0.00 1.10 -0.21 -1.84 3.20 -1.50 -2.50 116.97 115.22 3hb9 h TYR 722 Ca 0.00 -0.37 -0.21 0.00 3.14 0.00 0.00 58.73 61.29 3hb9 h TYR 722 Cb 0.55 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.61 3hb9 h TYR 722 CO 0.00 1.20 -0.69 1.88 -1.64 0.00 0.00 178.16 178.90 3hb9 h TYR 723 N 0.69 1.08 -0.10 -3.82 -1.99 -1.34 -1.78 116.97 109.71 3hb9 h TYR 723 Ca 0.03 -0.44 0.01 0.00 2.00 0.00 0.00 58.73 60.33 3hb9 h TYR 723 Cb 1.08 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 3hb9 h TYR 723 CO 0.07 1.27 0.04 0.28 -0.00 0.00 0.00 178.16 179.82 3hb9 h VAL 724 N 0.59 0.98 -0.94 -2.88 2.07 -1.53 -0.26 116.25 114.28 3hb9 h VAL 724 Ca -0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hb9 h VAL 724 Cb 1.31 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3hb9 h VAL 724 CO 0.15 0.02 0.60 0.50 0.02 0.00 0.00 177.57 178.85 3hb9 h LYS 725 N 0.09 1.26 -0.22 1.57 3.64 -1.45 -1.18 116.57 120.28 3hb9 h LYS 725 Ca 0.04 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3hb9 h LYS 725 Cb 0.02 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3hb9 h LYS 725 CO -0.04 0.85 -0.19 1.25 -2.27 0.00 0.00 179.45 179.05 3hb9 h LEU 726 N 1.29 0.55 -0.36 5.20 5.85 -1.11 -2.09 115.31 124.63 3hb9 h LEU 726 Ca 0.34 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3hb9 h LEU 726 Cb -0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3hb9 h LEU 726 CO -0.07 0.89 0.18 0.00 -0.34 0.00 0.00 178.44 179.10 3hb9 h ALA 727 N 0.67 0.46 -0.57 1.25 0.00 -0.83 -0.59 119.26 119.66 3hb9 h ALA 727 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hb9 h ALA 727 Cb 0.72 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hb9 h ALA 727 CO 0.05 0.02 0.34 0.87 0.00 0.00 0.00 179.25 180.53 3hb9 h LYS 728 N 0.45 0.77 -0.41 0.00 1.57 -1.24 0.15 116.57 117.85 3hb9 h LYS 728 Ca 0.12 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3hb9 h LYS 728 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3hb9 h LYS 728 CO -0.02 0.54 -0.08 1.49 -0.57 0.00 0.00 179.45 180.82 3hb9 h GLU 729 N 0.78 0.79 0.00 3.15 4.81 -0.92 -2.76 114.58 120.43 3hb9 h GLU 729 Ca 0.21 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 3hb9 h GLU 729 Cb -0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hb9 h GLU 729 CO -0.04 0.90 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.63 3hb9 h LEU 730 N 0.61 0.00 -0.13 1.64 3.38 -0.60 -2.98 115.31 117.23 3hb9 h LEU 730 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hb9 h LEU 730 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hb9 h LEU 730 CO 0.04 0.45 0.04 -0.08 0.09 0.00 0.00 178.44 178.97 3hb9 h GLU 731 N 0.00 0.21 0.00 1.13 4.81 -0.85 -2.96 114.58 116.92 3hb9 h GLU 731 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3hb9 h GLU 731 Cb 0.82 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 3hb9 h GLU 731 CO 0.06 0.36 -0.09 0.00 -0.73 0.00 0.00 179.01 178.61 3hb9 h ARG 732 N 0.02 0.00 0.00 1.92 3.08 -1.43 0.35 114.38 118.32 3hb9 h ARG 732 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3hb9 h ARG 732 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3hb9 h ARG 732 CO -0.00 0.09 -0.11 0.93 -1.07 0.00 0.00 179.97 179.81 3hb9 h GLU 733 N 0.00 0.00 -0.04 0.04 4.39 -1.37 -3.47 114.58 114.13 3hb9 h GLU 733 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hb9 h GLU 733 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hb9 h GLU 733 CO 0.01 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 3hb9 n GLY 734 N -0.42 1.20 3.76 -3.84 0.00 0.11 -5.04 105.19 100.95 3hb9 n GLY 734 Ca -0.01 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3hb9 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 735 N -2.04 3.23 0.13 1.61 0.40 -1.21 -4.95 117.98 115.15 3hb9 s PHE 735 Ca 0.00 1.46 -0.03 0.00 -0.60 0.00 0.00 56.93 57.76 3hb9 s PHE 735 Cb 0.00 -3.56 -0.10 0.00 0.51 0.00 0.00 43.02 39.87 3hb9 s PHE 735 CO 0.00 -1.49 1.30 0.45 0.70 0.00 0.00 175.22 176.18 3hb9 h HIS 736 N 3.83 0.54 -4.13 0.36 3.86 -1.47 -3.45 115.15 114.68 3hb9 h HIS 736 Ca -0.48 -0.30 -0.47 0.00 -1.16 0.00 0.00 60.37 57.96 3hb9 h HIS 736 Cb 1.22 -0.06 -0.29 0.00 1.06 0.00 0.00 27.41 29.34 3hb9 h HIS 736 CO 0.58 1.14 -0.80 0.42 0.86 0.00 0.00 177.93 180.12 3hb9 s ILE 737 N -3.18 1.02 -0.13 2.45 1.01 -1.12 -4.47 121.20 116.78 3hb9 s ILE 737 Ca -0.05 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3hb9 s ILE 737 Cb 0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3hb9 s ILE 737 CO 0.86 0.29 0.42 -0.22 0.00 0.00 0.00 174.94 176.29 3hb9 s LEU 738 N -0.25 4.26 0.03 2.97 2.96 -0.82 -0.96 118.68 126.87 3hb9 s LEU 738 Ca 0.04 0.71 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 3hb9 s LEU 738 Cb -0.06 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3hb9 s LEU 738 CO -0.00 0.02 -0.26 0.00 -1.32 0.00 0.00 176.35 174.79 3hb9 s ALA 739 N 0.61 2.21 -0.40 5.97 0.00 0.46 -0.90 121.76 129.71 3hb9 s ALA 739 Ca 0.23 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3hb9 s ALA 739 Cb -0.14 -0.49 0.10 0.00 0.00 0.00 0.00 23.12 22.59 3hb9 s ALA 739 CO 0.08 0.53 0.19 0.42 0.00 0.00 0.00 175.76 176.98 3hb9 s ILE 740 N -0.76 3.25 -0.42 0.00 -1.09 -0.63 0.19 121.20 121.75 3hb9 s ILE 740 Ca 0.11 -2.00 -0.25 0.00 -2.23 0.00 0.00 60.65 56.28 3hb9 s ILE 740 Cb -0.10 -3.21 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 3hb9 s ILE 740 CO 0.01 -0.64 0.87 -0.75 -1.23 0.00 0.00 174.94 173.20 3hb9 s LYS 741 N 1.15 3.62 -1.03 2.79 2.20 -0.15 -0.47 119.74 127.85 3hb9 s LYS 741 Ca 0.07 0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.87 3hb9 s LYS 741 Cb -0.22 -3.88 0.28 0.00 -1.51 0.00 0.00 37.83 32.50 3hb9 s LYS 741 CO -0.04 -1.07 1.16 -3.47 -0.36 0.00 0.00 175.35 171.57 3hb9 n ASP 742 N 6.85 5.49 0.12 1.43 2.03 0.21 -1.13 116.55 131.55 3hb9 n ASP 742 Ca 0.05 -3.22 0.04 0.00 0.52 0.00 0.00 54.79 52.18 3hb9 n ASP 742 Cb 0.48 -1.23 0.44 0.00 -0.72 0.00 0.00 41.12 40.09 3hb9 n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hb9 h MET 743 N 5.91 0.25 -0.62 -0.67 -0.00 -1.81 -1.72 114.93 116.27 3hb9 h MET 743 Ca 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 3hb9 h MET 743 Cb 0.75 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 3hb9 h MET 743 CO 1.09 0.31 0.00 0.00 -0.00 0.00 0.00 176.91 178.31 3hb9 n ALA 744 N -2.50 2.39 -3.68 -3.00 0.00 -1.26 -2.86 120.51 109.61 3hb9 n ALA 744 Ca -0.00 -1.20 -0.23 0.00 0.00 0.00 0.00 53.44 52.01 3hb9 n ALA 744 Cb 0.20 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.79 3hb9 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 745 N 1.61 -0.38 0.02 0.00 0.00 -0.65 -4.84 105.19 100.95 3hb9 n GLY 745 Ca 0.23 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.51 3hb9 n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 746 N -4.42 0.64 -4.56 0.99 4.77 -1.26 -4.57 117.00 108.58 3hb9 n LEU 746 Ca -0.19 -0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 3hb9 n LEU 746 Cb 0.63 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3hb9 n LEU 746 CO 0.68 0.08 1.40 -0.22 -1.33 0.00 0.00 177.39 178.00 3hb9 s LEU 747 N -3.68 3.29 0.65 2.23 2.96 -1.26 -4.95 118.68 117.92 3hb9 s LEU 747 Ca 0.05 -0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 52.88 3hb9 s LEU 747 Cb 0.15 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 3hb9 s LEU 747 CO 0.79 -2.25 1.29 0.29 -1.32 0.00 0.00 176.35 175.15 3hb9 n LYS 748 N 8.90 1.12 -0.31 1.98 5.02 -1.26 -4.65 118.16 128.97 3hb9 n LYS 748 Ca 0.35 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 57.01 3hb9 n LYS 748 Cb 0.49 -2.53 -0.03 0.00 -0.02 0.00 0.00 35.03 32.94 3hb9 n LYS 748 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hb9 h PRO 749 N 0.55 -0.11 -0.71 1.97 0.11 -1.88 -0.00 132.00 131.92 3hb9 h PRO 749 Ca -0.51 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3hb9 h PRO 749 Cb 1.34 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.44 3hb9 h PRO 749 CO 0.53 -0.07 0.28 -0.22 -0.21 0.00 0.00 178.00 178.31 3hb9 h LYS 750 N -0.11 1.05 -0.91 1.05 3.11 -1.93 -2.41 116.57 116.41 3hb9 h LYS 750 Ca 0.21 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 3hb9 h LYS 750 Cb 0.53 -0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 3hb9 h LYS 750 CO -0.83 0.85 0.54 0.00 -2.81 0.00 0.00 179.45 177.20 3hb9 h ALA 751 N 1.28 1.16 -0.39 5.00 0.00 -1.52 -0.94 119.26 123.84 3hb9 h ALA 751 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hb9 h ALA 751 Cb 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hb9 h ALA 751 CO -0.02 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.09 3hb9 h ALA 752 N 1.30 0.49 -0.31 0.00 0.00 -0.58 0.22 119.26 120.38 3hb9 h ALA 752 Ca 0.32 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hb9 h ALA 752 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hb9 h ALA 752 CO -0.06 -0.09 0.16 -0.92 0.00 0.00 0.00 179.25 178.34 3hb9 h TYR 753 N 0.49 0.29 -0.07 0.00 3.20 -1.10 -1.33 116.97 118.45 3hb9 h TYR 753 Ca 0.15 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hb9 h TYR 753 Cb -0.01 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3hb9 h TYR 753 CO -0.07 0.16 0.03 0.93 -1.64 0.00 0.00 178.16 177.58 3hb9 h GLU 754 N 0.33 0.10 -0.05 1.82 5.08 -0.82 -1.87 114.58 119.15 3hb9 h GLU 754 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3hb9 h GLU 754 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hb9 h GLU 754 CO -0.09 0.17 0.00 1.25 -1.00 0.00 0.00 179.01 179.34 3hb9 h LEU 755 N -0.00 0.09 -0.65 1.33 5.85 -0.46 -2.12 115.31 119.35 3hb9 h LEU 755 Ca 0.02 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 3hb9 h LEU 755 Cb 0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hb9 h LEU 755 CO -0.00 0.37 -0.29 0.40 -0.34 0.00 0.00 178.44 178.57 3hb9 h ILE 756 N -0.19 1.28 -0.49 4.05 5.03 -1.34 -0.40 117.51 125.45 3hb9 h ILE 756 Ca 0.02 -1.42 0.07 0.00 -0.12 0.00 0.00 64.86 63.41 3hb9 h ILE 756 Cb 0.32 1.32 -0.06 0.00 -3.03 0.00 0.00 36.82 35.37 3hb9 h ILE 756 CO 0.00 0.47 0.14 1.23 -0.68 0.00 0.00 178.15 179.31 3hb9 h GLY 757 N 0.96 0.63 0.91 5.37 0.00 -1.30 -1.40 103.07 108.24 3hb9 h GLY 757 Ca 0.08 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 3hb9 h GLY 757 CO 0.07 -0.03 -0.63 0.83 0.00 0.00 0.00 176.54 176.78 3hb9 h GLU 758 N 0.29 0.53 -0.12 4.80 4.39 -1.22 -3.17 114.58 120.10 3hb9 h GLU 758 Ca 0.24 -0.49 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 3hb9 h GLU 758 Cb 0.29 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3hb9 h GLU 758 CO -0.28 1.12 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.40 3hb9 h LEU 759 N 0.12 0.19 -1.01 1.33 3.38 -0.98 0.69 115.31 119.02 3hb9 h LEU 759 Ca -0.06 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hb9 h LEU 759 Cb 1.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hb9 h LEU 759 CO 0.13 0.43 -0.41 0.11 0.09 0.00 0.00 178.44 178.79 3hb9 h LYS 760 N 0.18 0.00 0.00 1.13 1.57 -1.33 -0.07 116.57 118.05 3hb9 h LYS 760 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 3hb9 h LYS 760 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3hb9 h LYS 760 CO 0.03 0.41 -0.72 0.77 -0.57 0.00 0.00 179.45 179.37 3hb9 h SER 761 N 0.00 0.00 0.01 0.86 0.02 -1.29 -3.37 113.55 109.78 3hb9 h SER 761 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hb9 h SER 761 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3hb9 h SER 761 CO 0.05 0.72 -0.01 0.00 -1.14 0.00 0.00 176.83 176.46 3hb9 h ALA 762 N 1.28 -0.02 -2.25 3.77 0.00 -0.43 -3.47 119.26 118.13 3hb9 h ALA 762 Ca -0.01 -0.38 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 3hb9 h ALA 762 Cb 1.44 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 3hb9 h ALA 762 CO 0.09 -0.05 -0.71 0.14 0.00 0.00 0.00 179.25 178.72 3hb9 s VAL 763 N -2.40 2.89 -1.83 0.00 -7.23 -0.08 -4.94 120.40 106.81 3hb9 s VAL 763 Ca -0.15 -2.18 0.27 0.00 -1.81 0.00 0.00 61.98 58.10 3hb9 s VAL 763 Cb -0.02 -2.52 0.29 0.00 0.56 0.00 0.00 36.38 34.69 3hb9 s VAL 763 CO 0.57 -0.37 1.58 0.47 -0.31 0.00 0.00 175.10 177.03 3hb9 n ASP 765 N -0.69 1.09 -4.77 4.85 10.43 -1.26 -4.58 116.55 121.62 3hb9 n ASP 765 Ca -0.06 -0.96 -0.39 0.00 2.57 0.00 0.00 54.79 55.95 3hb9 n ASP 765 Cb 0.59 0.13 -0.03 0.00 1.84 0.00 0.00 41.12 43.65 3hb9 n ASP 765 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hb9 s LEU 766 N -2.45 4.29 0.43 0.64 1.02 -1.26 -5.01 118.68 116.33 3hb9 s LEU 766 Ca 0.26 2.33 -0.25 0.00 0.02 0.00 0.00 54.13 56.48 3hb9 s LEU 766 Cb 0.19 -3.92 -0.08 0.00 0.02 0.00 0.00 46.19 42.40 3hb9 s LEU 766 CO 0.50 -0.52 1.34 -2.16 0.02 0.00 0.00 176.35 175.53 3hb9 s PRO 767 N -2.09 3.84 -0.23 1.29 0.04 -1.26 -4.79 135.00 131.80 3hb9 s PRO 767 Ca 0.54 2.23 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 3hb9 s PRO 767 Cb -0.31 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3hb9 s PRO 767 CO 0.39 -0.63 0.09 0.42 0.04 0.00 0.00 177.00 177.32 3hb9 s ILE 768 N -1.25 4.75 -0.36 0.56 1.01 -1.26 -1.94 121.20 122.70 3hb9 s ILE 768 Ca 0.59 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 3hb9 s ILE 768 Cb -0.40 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 38.94 3hb9 s ILE 768 CO 0.51 0.37 0.14 -2.28 0.00 0.00 0.00 174.94 173.68 3hb9 s HIS 769 N 1.11 3.33 -0.16 3.97 2.46 -0.08 -2.03 115.29 123.90 3hb9 s HIS 769 Ca 0.05 -1.69 -0.14 0.00 0.47 0.00 0.00 55.06 53.75 3hb9 s HIS 769 Cb -0.14 -2.58 -0.05 0.00 -0.13 0.00 0.00 32.58 29.68 3hb9 s HIS 769 CO 0.04 -0.81 0.30 -1.17 -2.47 0.00 0.00 174.74 170.63 3hb9 s LEU 770 N 1.34 4.25 -0.22 8.88 2.96 0.12 -1.60 118.68 134.41 3hb9 s LEU 770 Ca 0.01 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3hb9 s LEU 770 Cb -0.21 -2.39 0.05 0.00 0.50 0.00 0.00 46.19 44.15 3hb9 s LEU 770 CO 0.01 0.10 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.78 3hb9 s HIS 771 N 0.46 2.42 0.36 5.38 5.65 0.38 -1.64 115.29 128.31 3hb9 s HIS 771 Ca 0.17 -1.69 0.07 0.00 0.25 0.00 0.00 55.06 53.85 3hb9 s HIS 771 Cb -0.13 -1.61 -0.07 0.00 -1.18 0.00 0.00 32.58 29.59 3hb9 s HIS 771 CO 0.04 -0.76 -0.02 -0.08 -0.65 0.00 0.00 174.74 173.27 3hb9 s THR 772 N 1.39 1.86 0.16 0.89 -1.32 -1.26 0.65 115.64 118.00 3hb9 s THR 772 Ca -0.04 -2.07 0.08 0.00 -1.21 0.00 0.00 61.69 58.45 3hb9 s THR 772 Cb -0.18 -2.80 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 3hb9 s THR 772 CO -0.07 -0.09 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.16 3hb9 s HIS 773 N -2.83 2.68 -0.33 9.09 3.76 -1.23 -4.53 115.29 121.91 3hb9 s HIS 773 Ca 0.34 -0.19 0.10 0.00 -0.15 0.00 0.00 55.06 55.15 3hb9 s HIS 773 Cb 0.07 -1.34 0.75 0.00 1.11 0.00 0.00 32.58 33.17 3hb9 s HIS 773 CO 0.16 0.48 1.78 -3.47 -0.85 0.00 0.00 174.74 172.85 3hb9 n ASP 774 N 0.23 4.94 -0.08 1.40 4.64 0.15 -4.48 116.55 123.36 3hb9 n ASP 774 Ca -0.12 -3.15 0.03 0.00 -1.38 0.00 0.00 54.79 50.18 3hb9 n ASP 774 Cb 0.54 -0.74 0.36 0.00 -1.04 0.00 0.00 41.12 40.25 3hb9 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hb9 h THR 775 N 2.84 1.13 -0.05 5.18 1.03 -0.65 -1.16 112.91 121.23 3hb9 h THR 775 Ca 0.22 -0.24 -0.11 0.00 -0.01 0.00 0.00 66.41 66.27 3hb9 h THR 775 Cb 2.27 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 3hb9 h THR 775 CO 0.70 0.13 -0.47 0.77 -0.01 0.00 0.00 175.52 176.63 3hb9 h SER 776 N 0.71 0.12 0.00 0.00 4.64 -1.81 -1.30 113.55 115.92 3hb9 h SER 776 Ca 0.20 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hb9 h SER 776 Cb -0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hb9 h SER 776 CO -0.04 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 3hb9 n GLY 777 N -0.11 0.47 1.06 -0.77 0.00 -0.44 -4.18 105.19 101.23 3hb9 n GLY 777 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3hb9 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hb9 n ASN 778 N 0.00 3.79 -0.05 1.61 5.03 -1.26 -4.72 115.26 119.66 3hb9 n ASN 778 Ca 0.00 -2.32 -0.09 0.00 0.87 0.00 0.00 54.58 53.04 3hb9 n ASN 778 Cb 0.00 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.31 3hb9 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hb9 h GLY 779 N 2.90 0.26 0.91 7.41 0.00 -1.83 0.78 103.07 113.49 3hb9 h GLY 779 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3hb9 h GLY 779 CO 0.11 0.01 0.09 1.41 0.00 0.00 0.00 176.54 178.17 3hb9 h LEU 780 N 0.15 0.50 -0.41 3.11 3.38 -1.95 -0.32 115.31 119.77 3hb9 h LEU 780 Ca 0.10 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hb9 h LEU 780 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hb9 h LEU 780 CO -0.11 0.59 0.16 0.25 0.09 0.00 0.00 178.44 179.42 3hb9 h LEU 781 N 0.39 0.19 -0.09 1.67 6.46 -1.86 0.13 115.31 122.20 3hb9 h LEU 781 Ca 0.11 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3hb9 h LEU 781 Cb 0.28 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 3hb9 h LEU 781 CO -0.00 0.15 -0.20 0.74 -0.62 0.00 0.00 178.44 178.51 3hb9 h THR 782 N 0.34 0.50 -0.48 1.05 2.02 -0.57 -0.53 112.91 115.25 3hb9 h THR 782 Ca 0.19 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.40 3hb9 h THR 782 Cb 0.15 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3hb9 h THR 782 CO -0.17 0.00 0.27 1.88 0.37 0.00 0.00 175.52 177.86 3hb9 h TYR 783 N -0.27 0.50 -0.12 3.16 0.99 -0.53 -0.58 116.97 120.11 3hb9 h TYR 783 Ca 0.09 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.88 3hb9 h TYR 783 Cb 0.40 -0.15 -0.06 0.00 1.00 0.00 0.00 36.73 37.92 3hb9 h TYR 783 CO -0.29 0.27 -0.26 -0.22 -0.00 0.00 0.00 178.16 177.66 3hb9 h LYS 784 N 0.53 -0.32 -0.97 4.88 3.11 -0.40 0.54 116.57 123.94 3hb9 h LYS 784 Ca 0.20 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.10 3hb9 h LYS 784 Cb 0.06 0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.30 3hb9 h LYS 784 CO -0.11 -0.21 0.63 1.96 -2.81 0.00 0.00 179.45 178.91 3hb9 h GLN 785 N -0.33 1.19 -0.58 1.90 1.08 -0.62 -0.79 115.11 116.95 3hb9 h GLN 785 Ca 0.10 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 3hb9 h GLN 785 Cb 0.48 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3hb9 h GLN 785 CO -0.31 0.79 0.08 0.00 -0.95 0.00 0.00 178.83 178.43 3hb9 h ALA 786 N 1.40 1.04 -0.73 3.87 0.00 -0.61 -2.26 119.26 121.97 3hb9 h ALA 786 Ca 0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hb9 h ALA 786 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hb9 h ALA 786 CO -0.13 0.61 0.32 0.82 0.00 0.00 0.00 179.25 180.87 3hb9 h ILE 787 N 0.89 1.24 -0.17 0.00 2.04 -0.01 -1.28 117.51 120.22 3hb9 h ILE 787 Ca 0.18 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3hb9 h ILE 787 Cb 0.41 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3hb9 h ILE 787 CO 0.01 0.30 0.12 0.44 0.00 0.00 0.00 178.15 179.02 3hb9 h ASP 788 N 1.03 0.09 -0.22 1.72 3.45 -0.77 -1.33 116.42 120.39 3hb9 h ASP 788 Ca 0.25 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3hb9 h ASP 788 Cb 0.17 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3hb9 h ASP 788 CO -0.03 0.06 0.00 0.00 -1.57 0.00 0.00 179.24 177.71 3hb9 n ALA 789 N -2.54 2.49 -1.01 3.45 0.00 -0.81 -4.93 120.51 117.15 3hb9 n ALA 789 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3hb9 n ALA 789 Cb 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hb9 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hb9 n GLY 790 N 1.24 1.16 3.77 0.00 0.00 -0.50 -4.25 105.19 106.61 3hb9 n GLY 790 Ca 0.17 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3hb9 n GLY 790 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb9 s VAL 791 N -2.13 2.48 -0.15 1.61 0.11 -0.55 -4.92 120.40 116.85 3hb9 s VAL 791 Ca 0.00 0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 59.33 3hb9 s VAL 791 Cb 0.00 -3.26 -0.24 0.00 -1.53 0.00 0.00 36.38 31.35 3hb9 s VAL 791 CO 0.00 0.07 0.38 0.44 -3.33 0.00 0.00 175.10 172.66 3hb9 h ASP 792 N 2.71 0.23 -3.70 3.54 3.32 -1.82 -3.46 116.42 117.24 3hb9 h ASP 792 Ca -0.50 -0.75 -0.34 0.00 0.02 0.00 0.00 57.03 55.46 3hb9 h ASP 792 Cb 1.25 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 3hb9 h ASP 792 CO 0.63 1.62 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.38 3hb9 s ILE 793 N -2.45 0.34 0.13 0.35 1.01 -0.86 -2.25 121.20 117.48 3hb9 s ILE 793 Ca -0.24 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3hb9 s ILE 793 Cb 0.05 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 3hb9 s ILE 793 CO 0.70 0.14 -0.22 0.27 0.00 0.00 0.00 174.94 175.83 3hb9 s ILE 794 N 0.39 1.91 -0.38 2.92 -4.36 -0.60 0.13 121.20 121.21 3hb9 s ILE 794 Ca -0.04 -1.73 -0.18 0.00 -0.26 0.00 0.00 60.65 58.43 3hb9 s ILE 794 Cb -0.07 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.87 3hb9 s ILE 794 CO -0.00 -0.11 0.52 -1.81 0.24 0.00 0.00 174.94 173.78 3hb9 s ASP 795 N -2.22 6.29 0.42 4.36 1.11 -0.65 -0.78 116.67 125.20 3hb9 s ASP 795 Ca 0.12 -0.20 0.06 0.00 0.18 0.00 0.00 52.55 52.71 3hb9 s ASP 795 Cb -0.09 -2.27 -0.07 0.00 1.07 0.00 0.00 42.92 41.57 3hb9 s ASP 795 CO 0.06 -0.55 0.03 0.42 1.18 0.00 0.00 175.17 176.31 3hb9 s THR 796 N 2.42 1.95 0.13 -1.27 -4.23 -0.15 -4.51 115.64 109.98 3hb9 s THR 796 Ca 0.18 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 3hb9 s THR 796 Cb -0.15 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 3hb9 s THR 796 CO 0.14 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 174.11 3hb9 s ALA 797 N -2.72 1.38 0.38 3.99 0.00 -0.79 -1.40 121.76 122.61 3hb9 s ALA 797 Ca 0.33 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 3hb9 s ALA 797 Cb 0.09 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.11 3hb9 s ALA 797 CO 0.17 -0.04 1.25 0.28 0.00 0.00 0.00 175.76 177.42 3hb9 n VAL 798 N 0.14 2.29 -0.20 0.00 0.31 -1.26 -0.27 118.33 119.33 3hb9 n VAL 798 Ca -0.13 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.67 3hb9 n VAL 798 Cb 0.59 -1.53 0.03 0.00 -0.91 0.00 0.00 33.84 32.03 3hb9 n VAL 798 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hb9 h ALA 799 N 2.25 0.18 0.00 3.52 0.00 -1.92 0.01 119.26 123.30 3hb9 h ALA 799 Ca -0.47 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hb9 h ALA 799 Cb 1.29 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3hb9 h ALA 799 CO 0.61 -0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 3hb9 n SER 800 N -5.44 0.00 -0.18 0.00 3.41 -1.26 -1.95 113.62 108.20 3hb9 n SER 800 Ca 0.06 -0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.41 3hb9 n SER 800 Cb 0.34 -0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.27 3hb9 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hb9 n MET 801 N -1.13 0.96 -4.68 4.33 2.00 -0.06 -4.76 117.12 113.79 3hb9 n MET 801 Ca 0.12 -2.14 -0.30 0.00 0.00 0.00 0.00 57.70 55.38 3hb9 n MET 801 Cb 0.10 -1.22 -0.08 0.00 0.00 0.00 0.00 33.22 32.02 3hb9 n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hb9 s SER 802 N -2.34 3.71 0.00 7.83 1.04 -0.83 -4.66 113.70 118.46 3hb9 s SER 802 Ca 0.23 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3hb9 s SER 802 Cb 0.20 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3hb9 s SER 802 CO 0.02 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3hb9 n GLY 803 N -1.13 -0.44 7.00 7.32 0.00 0.29 -4.87 105.19 113.36 3hb9 n GLY 803 Ca -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3hb9 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 804 N -1.26 0.00 0.00 0.99 4.77 -1.23 -1.09 117.00 119.17 3hb9 n LEU 804 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3hb9 n LEU 804 Cb 0.00 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 3hb9 n LEU 804 CO 0.00 0.00 0.65 0.35 -1.33 0.00 0.00 177.39 177.06 3hb9 n THR 805 N 0.00 1.18 -2.16 -5.08 -2.24 -1.26 0.01 114.28 104.73 3hb9 n THR 805 Ca 0.00 0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3hb9 n THR 805 Cb 0.00 -1.12 0.07 0.00 -2.10 0.00 0.00 70.33 67.18 3hb9 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hb9 n SER 806 N -1.45 0.50 -4.75 3.42 2.88 -0.25 -4.63 113.62 109.34 3hb9 n SER 806 Ca 0.03 -1.48 -0.32 0.00 -1.33 0.00 0.00 58.87 55.77 3hb9 n SER 806 Cb 0.11 -0.37 0.09 0.00 -0.75 0.00 0.00 64.21 63.29 3hb9 n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hb9 s GLN 807 N -3.93 2.24 0.64 -1.46 1.11 -1.26 -0.68 119.66 116.33 3hb9 s GLN 807 Ca 0.34 1.35 -0.18 0.00 0.01 0.00 0.00 55.36 56.88 3hb9 s GLN 807 Cb -0.02 -1.88 -0.02 0.00 -1.01 0.00 0.00 33.01 30.09 3hb9 s GLN 807 CO 0.23 -1.68 1.29 -2.14 0.01 0.00 0.00 175.29 173.00 3hb9 s PRO 808 N -4.51 2.61 0.03 2.91 0.02 -1.26 -0.55 135.00 134.25 3hb9 s PRO 808 Ca 0.65 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3hb9 s PRO 808 Cb -0.20 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 3hb9 s PRO 808 CO 0.51 -1.55 1.44 0.45 -0.33 0.00 0.00 177.00 177.52 3hb9 s SER 809 N -1.39 6.81 0.16 2.53 0.15 -1.26 -1.88 113.70 118.83 3hb9 s SER 809 Ca 0.82 2.21 -0.12 0.00 0.70 0.00 0.00 55.95 59.56 3hb9 s SER 809 Cb -0.37 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.43 3hb9 s SER 809 CO 0.39 -0.73 1.67 0.00 1.20 0.00 0.00 173.24 175.77 3hb9 h ALA 810 N 7.74 0.74 -0.24 5.45 0.00 -0.96 -1.89 119.26 130.11 3hb9 h ALA 810 Ca -0.39 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.31 3hb9 h ALA 810 Cb 1.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hb9 h ALA 810 CO 0.90 0.45 0.09 -0.91 0.00 0.00 0.00 179.25 179.78 3hb9 h ASN 811 N 0.81 0.12 -0.27 0.00 -0.26 -1.92 0.16 115.58 114.21 3hb9 h ASN 811 Ca 0.18 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3hb9 h ASN 811 Cb 0.35 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 3hb9 h ASN 811 CO 0.00 0.10 0.07 0.28 -1.06 0.00 0.00 177.43 176.82 3hb9 h SER 812 N 0.21 0.41 -0.73 5.81 0.02 -1.93 -3.04 113.55 114.29 3hb9 h SER 812 Ca 0.10 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3hb9 h SER 812 Cb 0.06 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3hb9 h SER 812 CO -0.10 0.52 0.43 0.25 -1.14 0.00 0.00 176.83 176.79 3hb9 h LEU 813 N 0.27 0.90 -0.31 5.07 5.85 -1.08 0.07 115.31 126.08 3hb9 h LEU 813 Ca 0.09 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3hb9 h LEU 813 Cb 0.27 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3hb9 h LEU 813 CO -0.00 0.71 -0.16 0.22 -0.34 0.00 0.00 178.44 178.86 3hb9 h TYR 814 N 1.02 -0.41 0.00 1.25 3.20 -0.85 -2.45 116.97 118.73 3hb9 h TYR 814 Ca 0.26 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 62.02 3hb9 h TYR 814 Cb -0.01 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3hb9 h TYR 814 CO 0.01 -0.24 -0.73 1.88 -1.64 0.00 0.00 178.16 177.44 3hb9 h TYR 815 N -0.12 0.00 -0.64 -3.82 -1.99 -1.46 -3.23 116.97 105.70 3hb9 h TYR 815 Ca 0.16 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.94 3hb9 h TYR 815 Cb 0.37 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.06 3hb9 h TYR 815 CO -0.36 0.73 0.43 0.00 -0.00 0.00 0.00 178.16 178.95 3hb9 h ALA 816 N 1.27 1.71 -0.00 3.88 0.00 -0.53 -2.23 119.26 123.36 3hb9 h ALA 816 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hb9 h ALA 816 Cb 1.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hb9 h ALA 816 CO 0.09 0.20 -0.05 1.28 0.00 0.00 0.00 179.25 180.77 3hb9 n LEU 817 N -4.47 0.10 -4.64 0.00 4.77 -1.01 -4.86 117.00 106.89 3hb9 n LEU 817 Ca 0.09 0.31 -0.48 0.00 -0.03 0.00 0.00 56.01 55.89 3hb9 n LEU 817 Cb 0.18 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3hb9 n LEU 817 CO 0.34 0.02 1.10 0.59 -1.33 0.00 0.00 177.39 178.11 3hb9 n ASN 818 N -1.34 2.59 0.00 -1.43 5.03 -0.84 -0.98 115.26 118.28 3hb9 n ASN 818 Ca 0.11 1.09 0.00 0.00 0.87 0.00 0.00 54.58 56.65 3hb9 n ASN 818 Cb 0.29 -1.34 0.00 0.00 -1.02 0.00 0.00 39.78 37.71 3hb9 n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hb9 n GLY 819 N 3.13 2.06 3.97 7.41 0.00 -1.26 -5.04 105.19 115.46 3hb9 n GLY 819 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3hb9 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 820 N -2.37 3.31 0.32 1.61 0.40 -0.15 -5.03 117.98 116.06 3hb9 s PHE 820 Ca 0.00 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 3hb9 s PHE 820 Cb 0.00 -1.95 0.54 0.00 0.51 0.00 0.00 43.02 42.12 3hb9 s PHE 820 CO 0.00 0.04 1.78 -1.35 0.70 0.00 0.00 175.22 176.39 3hb9 h PRO 821 N 0.80 0.34 -6.02 0.24 0.11 -1.97 -3.43 132.00 122.07 3hb9 h PRO 821 Ca -0.48 -0.12 -0.68 0.00 0.11 0.00 0.00 66.00 64.83 3hb9 h PRO 821 Cb 1.24 -0.03 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 3hb9 h PRO 821 CO 0.58 0.57 -0.64 1.03 -0.21 0.00 0.00 178.00 179.33 3hb9 s ARG 822 N -4.48 2.92 -0.04 1.05 0.52 -1.26 -5.07 118.95 112.58 3hb9 s ARG 822 Ca -0.06 -0.45 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 3hb9 s ARG 822 Cb 0.14 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 3hb9 s ARG 822 CO 0.77 0.69 -0.24 -1.58 0.02 0.00 0.00 175.30 174.96 3hb9 s HIS 823 N -0.88 2.23 -0.05 -0.53 5.65 -1.26 -4.89 115.29 115.56 3hb9 s HIS 823 Ca 0.13 -0.56 -0.30 0.00 0.25 0.00 0.00 55.06 54.59 3hb9 s HIS 823 Cb -0.11 -1.46 -0.04 0.00 -1.18 0.00 0.00 32.58 29.79 3hb9 s HIS 823 CO 0.02 -0.13 1.33 -1.17 -0.65 0.00 0.00 174.74 174.15 3hb9 s LEU 824 N -0.32 4.28 -0.88 8.88 2.96 -1.26 -2.33 118.68 130.01 3hb9 s LEU 824 Ca 0.02 1.95 -0.22 0.00 -0.22 0.00 0.00 54.13 55.65 3hb9 s LEU 824 Cb -0.11 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.10 3hb9 s LEU 824 CO 0.01 -0.70 1.23 -0.60 -1.32 0.00 0.00 176.35 174.97 3hb9 s ARG 825 N 2.69 3.43 0.22 1.98 3.52 -0.43 -4.90 118.95 125.47 3hb9 s ARG 825 Ca 0.60 -1.11 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 3hb9 s ARG 825 Cb -0.27 -4.82 0.06 0.00 -1.56 0.00 0.00 34.95 28.36 3hb9 s ARG 825 CO 0.23 -1.99 0.78 -2.37 -0.81 0.00 0.00 175.30 171.14 3hb9 n THR 826 N 6.20 0.00 -3.84 4.11 5.66 -1.26 -4.46 114.28 120.69 3hb9 n THR 826 Ca 0.18 -0.61 -0.35 0.00 -3.05 0.00 0.00 64.05 60.22 3hb9 n THR 826 Cb 0.49 0.72 -0.12 0.00 -1.55 0.00 0.00 70.33 69.87 3hb9 n THR 826 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3hb9 s ASP 827 N -2.92 5.13 0.06 1.09 3.68 -1.25 -5.01 116.67 117.45 3hb9 s ASP 827 Ca 0.17 -2.04 -0.29 0.00 2.13 0.00 0.00 52.55 52.51 3hb9 s ASP 827 Cb -0.03 -1.78 -0.18 0.00 -1.45 0.00 0.00 42.92 39.49 3hb9 s ASP 827 CO 0.07 -0.50 1.55 0.16 0.13 0.00 0.00 175.17 176.58 3hb9 h ILE 828 N 6.43 0.51 -0.93 4.11 -0.00 -1.97 0.35 117.51 126.01 3hb9 h ILE 828 Ca -0.11 -0.13 0.23 0.00 -0.00 0.00 0.00 64.86 64.85 3hb9 h ILE 828 Cb 1.04 0.58 -0.13 0.00 -0.00 0.00 0.00 36.82 38.31 3hb9 h ILE 828 CO 0.65 0.02 0.45 -0.33 -0.00 0.00 0.00 178.15 178.94 3hb9 h GLU 829 N -0.73 0.42 -0.24 0.16 3.07 -1.99 0.43 114.58 115.70 3hb9 h GLU 829 Ca -0.07 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3hb9 h GLU 829 Cb 0.54 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3hb9 h GLU 829 CO 0.11 0.28 0.11 0.78 -1.40 0.00 0.00 179.01 178.89 3hb9 h GLY 830 N 0.43 0.37 2.00 -3.84 0.00 -1.82 -2.92 103.07 97.29 3hb9 h GLY 830 Ca 0.59 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 3hb9 h GLY 830 CO -0.52 0.17 -0.45 -0.33 0.00 0.00 0.00 176.54 175.41 3hb9 h MET 831 N 0.25 0.00 -0.67 4.80 2.86 0.23 -1.65 114.93 120.76 3hb9 h MET 831 Ca 0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3hb9 h MET 831 Cb 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3hb9 h MET 831 CO -0.01 0.45 0.18 0.93 1.06 0.00 0.00 176.91 179.51 3hb9 h GLU 832 N 0.00 1.06 -0.15 1.72 4.39 -0.25 0.79 114.58 122.14 3hb9 h GLU 832 Ca -0.00 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 3hb9 h GLU 832 Cb 0.94 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3hb9 h GLU 832 CO 0.06 0.94 0.04 1.03 -1.16 0.00 0.00 179.01 179.92 3hb9 h SER 833 N 0.99 0.22 -0.77 1.42 0.87 -1.26 -1.09 113.55 113.92 3hb9 h SER 833 Ca 0.21 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3hb9 h SER 833 Cb 0.35 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 3hb9 h SER 833 CO -0.00 0.38 0.48 -0.07 -0.53 0.00 0.00 176.83 177.09 3hb9 h LEU 834 N 0.04 0.78 -0.64 2.23 3.38 -1.18 -1.56 115.31 118.37 3hb9 h LEU 834 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hb9 h LEU 834 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hb9 h LEU 834 CO -0.00 0.53 0.42 -1.28 0.09 0.00 0.00 178.44 178.20 3hb9 h SER 835 N 0.93 0.71 -0.67 -0.43 0.87 -0.61 -1.60 113.55 112.75 3hb9 h SER 835 Ca 0.31 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3hb9 h SER 835 Cb 0.05 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3hb9 h SER 835 CO -0.13 0.51 0.35 0.45 -0.53 0.00 0.00 176.83 177.48 3hb9 h HIS 836 N 0.84 0.94 0.49 2.24 3.86 -0.79 -1.68 115.15 121.05 3hb9 h HIS 836 Ca 0.24 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3hb9 h HIS 836 Cb -0.07 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 3hb9 h HIS 836 CO -0.04 0.68 -0.36 -0.92 0.86 0.00 0.00 177.93 178.16 3hb9 h TYR 837 N 0.92 -0.95 0.00 2.45 3.20 -0.87 -3.00 116.97 118.73 3hb9 h TYR 837 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3hb9 h TYR 837 Cb 0.07 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3hb9 h TYR 837 CO -0.00 -0.52 -0.25 -1.49 -1.64 0.00 0.00 178.16 174.25 3hb9 h TRP 838 N -0.83 0.00 -0.79 -3.82 4.06 -1.25 -0.77 115.95 112.54 3hb9 h TRP 838 Ca -0.05 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.00 3hb9 h TRP 838 Cb 0.70 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.80 3hb9 h TRP 838 CO -0.14 0.25 0.52 1.03 -3.56 0.00 0.00 178.44 176.54 3hb9 h SER 839 N 0.00 0.63 0.10 -3.49 0.87 -1.17 0.14 113.55 110.63 3hb9 h SER 839 Ca -0.00 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 3hb9 h SER 839 Cb 0.46 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3hb9 h SER 839 CO 0.03 0.37 -0.58 0.74 -0.53 0.00 0.00 176.83 176.86 3hb9 h THR 840 N 0.70 1.59 -0.78 2.23 2.02 -1.06 -3.32 112.91 114.29 3hb9 h THR 840 Ca 0.37 -2.47 0.06 0.00 0.77 0.00 0.00 66.41 65.13 3hb9 h THR 840 Cb 0.49 3.24 -0.06 0.00 -1.74 0.00 0.00 68.15 70.09 3hb9 h THR 840 CO -0.14 0.69 0.47 0.58 0.37 0.00 0.00 175.52 177.48 3hb9 h VAL 841 N -0.54 1.02 -0.78 3.16 2.07 -1.14 -1.46 116.25 118.58 3hb9 h VAL 841 Ca -0.10 -0.30 0.22 0.00 0.82 0.00 0.00 66.70 67.34 3hb9 h VAL 841 Cb 1.46 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3hb9 h VAL 841 CO 0.11 0.16 0.55 -0.09 0.02 0.00 0.00 177.57 178.32 3hb9 h ARG 842 N 0.86 0.07 -0.93 1.57 2.43 -0.84 0.99 114.38 118.53 3hb9 h ARG 842 Ca 0.34 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.58 3hb9 h ARG 842 Cb 0.16 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3hb9 h ARG 842 CO -0.17 0.04 0.58 1.15 -1.51 0.00 0.00 179.97 180.06 3hb9 h THR 843 N 0.07 1.02 0.00 0.20 2.02 -1.36 -0.87 112.91 113.99 3hb9 h THR 843 Ca 0.38 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 3hb9 h THR 843 Cb 1.40 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3hb9 h THR 843 CO -0.03 0.19 -0.02 1.88 0.37 0.00 0.00 175.52 177.91 3hb9 h TYR 844 N 1.02 0.00 -0.58 3.16 0.99 -0.90 -3.01 116.97 117.66 3hb9 h TYR 844 Ca 0.42 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.89 3hb9 h TYR 844 Cb 0.25 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 37.82 3hb9 h TYR 844 CO -0.02 0.02 0.18 0.66 -0.00 0.00 0.00 178.16 179.00 3hb9 n TYR 845 N -3.61 1.82 0.27 4.88 4.02 -0.34 -4.68 117.16 119.51 3hb9 n TYR 845 Ca -0.03 -1.54 0.15 0.00 -0.01 0.00 0.00 57.90 56.47 3hb9 n TYR 845 Cb 0.11 -0.63 0.71 0.00 -0.02 0.00 0.00 39.34 39.51 3hb9 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hb9 h SER 846 N 1.31 0.00 0.92 7.72 4.64 -1.54 -2.24 113.55 124.36 3hb9 h SER 846 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3hb9 h SER 846 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3hb9 h SER 846 CO 0.62 0.09 0.00 0.47 -0.87 0.00 0.00 176.83 177.14 3hb9 n ASP 847 N -3.32 0.30 -0.26 4.97 8.00 -1.26 -3.25 116.55 121.73 3hb9 n ASP 847 Ca -0.01 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.07 3hb9 n ASP 847 Cb 0.29 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 40.83 3hb9 n ASP 847 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hb9 n PHE 848 N -1.80 0.20 -1.76 1.24 3.01 -0.85 -4.97 117.46 112.53 3hb9 n PHE 848 Ca 0.05 -0.52 -0.40 0.00 1.01 0.00 0.00 57.45 57.59 3hb9 n PHE 848 Cb 0.29 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.73 3hb9 n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hb9 n GLU 849 N -0.13 2.32 -0.96 -1.08 -0.58 -1.20 -3.70 120.64 115.30 3hb9 n GLU 849 Ca 0.05 0.82 -0.30 0.00 -0.42 0.00 0.00 57.16 57.31 3hb9 n GLU 849 Cb 0.34 -2.63 0.15 0.00 -0.57 0.00 0.00 31.44 28.73 3hb9 n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hb9 s SER 852 N -0.41 3.31 0.23 1.62 0.15 -0.97 -4.96 113.70 112.68 3hb9 s SER 852 Ca 0.60 1.86 0.09 0.00 0.70 0.00 0.00 55.95 59.20 3hb9 s SER 852 Cb -0.46 -2.44 0.20 0.00 -1.71 0.00 0.00 66.02 61.61 3hb9 s SER 852 CO 0.59 -2.80 1.52 -0.78 1.20 0.00 0.00 173.24 172.97 3hb9 h ASP 853 N -1.66 0.01 -2.98 5.45 1.82 -1.93 -3.46 116.42 113.67 3hb9 h ASP 853 Ca -0.47 -0.01 -0.53 0.00 -0.39 0.00 0.00 57.03 55.64 3hb9 h ASP 853 Cb 1.27 -0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.30 3hb9 h ASP 853 CO 0.48 0.73 0.74 -0.63 -1.61 0.00 0.00 179.24 178.95 3hb9 s ILE 854 N -3.38 3.32 0.00 2.25 -1.09 -1.26 -4.89 121.20 116.15 3hb9 s ILE 854 Ca -0.01 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 3hb9 s ILE 854 Cb 0.12 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 3hb9 s ILE 854 CO 0.78 0.06 0.02 2.29 -1.23 0.00 0.00 174.94 176.86 3hb9 n LYS 855 N 4.09 2.73 -4.32 2.79 2.85 -1.26 -5.03 118.16 120.01 3hb9 n LYS 855 Ca 0.12 -0.02 -0.21 0.00 -1.05 0.00 0.00 58.31 57.15 3hb9 n LYS 855 Cb 0.42 -0.25 -0.11 0.00 -0.65 0.00 0.00 35.03 34.44 3hb9 n LYS 855 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3hb9 s SER 856 N -0.39 2.59 0.79 -5.58 0.01 -1.26 -5.10 113.70 104.77 3hb9 s SER 856 Ca 0.00 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 3hb9 s SER 856 Cb 0.00 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.16 3hb9 s SER 856 CO 0.00 -0.05 1.14 -2.16 0.41 0.00 0.00 173.24 172.58 3hb9 s PRO 857 N -2.76 1.91 -0.11 12.44 0.04 -1.26 -5.00 135.00 140.26 3hb9 s PRO 857 Ca 0.15 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 3hb9 s PRO 857 Cb -0.06 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.69 3hb9 s PRO 857 CO 0.06 -1.95 0.07 1.21 0.04 0.00 0.00 177.00 176.43 3hb9 s ASN 858 N -2.76 1.82 0.06 6.66 3.04 -0.49 -5.01 114.94 118.26 3hb9 s ASN 858 Ca 0.66 -0.30 0.24 0.00 0.04 0.00 0.00 52.86 53.50 3hb9 s ASN 858 Cb -0.22 -0.23 0.19 0.00 -1.54 0.00 0.00 41.25 39.45 3hb9 s ASN 858 CO 0.52 -0.30 1.16 0.35 -3.04 0.00 0.00 177.10 175.80 3hb9 n THR 859 N 5.27 0.20 0.07 -5.21 -2.24 -1.26 -3.81 114.28 107.29 3hb9 n THR 859 Ca -0.05 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.56 3hb9 n THR 859 Cb 0.49 0.13 0.25 0.00 -2.10 0.00 0.00 70.33 69.10 3hb9 n THR 859 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hb9 n GLU 860 N -1.94 0.06 0.25 -0.78 1.02 -1.26 -1.03 120.64 116.96 3hb9 n GLU 860 Ca 0.03 0.55 0.09 0.00 -0.02 0.00 0.00 57.16 57.81 3hb9 n GLU 860 Cb 0.42 -1.70 0.65 0.00 -0.02 0.00 0.00 31.44 30.79 3hb9 n GLU 860 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hb9 h ILE 861 N 0.00 0.88 0.00 -3.67 2.10 -1.96 -1.92 117.51 112.93 3hb9 h ILE 861 Ca 0.00 -0.40 -0.01 0.00 1.08 0.00 0.00 64.86 65.53 3hb9 h ILE 861 Cb 0.02 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3hb9 h ILE 861 CO 0.00 0.11 -0.03 1.88 -1.08 0.00 0.00 178.15 179.03 3hb9 h TYR 862 N 0.00 0.00 0.00 2.19 0.99 -1.38 -0.13 116.97 118.64 3hb9 h TYR 862 Ca -0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.40 3hb9 h TYR 862 Cb 0.22 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 37.90 3hb9 h TYR 862 CO 0.00 0.03 -1.80 0.00 -0.00 0.00 0.00 178.16 176.39 3hb9 n GLN 863 N -3.16 0.57 0.01 4.88 0.00 -0.75 -4.72 117.38 114.21 3hb9 n GLN 863 Ca -0.01 0.43 -0.07 0.00 0.00 0.00 0.00 57.00 57.36 3hb9 n GLN 863 Cb 0.25 -1.63 -0.12 0.00 0.00 0.00 0.00 30.24 28.74 3hb9 n GLN 863 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 3hb9 h HIS 864 N -1.00 0.00 -1.03 2.61 2.07 -1.54 -3.46 115.15 112.80 3hb9 h HIS 864 Ca -0.49 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 56.82 3hb9 h HIS 864 Cb 1.42 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.35 3hb9 h HIS 864 CO 0.00 0.94 -0.23 0.39 -3.07 0.00 0.00 177.93 175.95 3hb9 n GLU 865 N -3.11 -0.77 -2.20 5.12 1.02 -0.06 -4.58 120.64 116.06 3hb9 n GLU 865 Ca -0.11 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 3hb9 n GLU 865 Cb 0.99 -4.67 -0.03 0.00 -0.02 0.00 0.00 31.44 27.71 3hb9 n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3hb9 s MET 866 N -3.79 4.30 0.85 3.49 -1.94 -1.26 -4.87 119.30 116.09 3hb9 s MET 866 Ca 0.00 2.01 -0.13 0.00 -1.71 0.00 0.00 55.69 55.87 3hb9 s MET 866 Cb 0.00 -3.45 0.11 0.00 2.01 0.00 0.00 34.83 33.50 3hb9 s MET 866 CO 0.00 -0.52 1.19 -1.25 -0.01 0.00 0.00 175.02 174.43 3hb9 s PRO 867 N 1.88 1.59 0.00 2.03 0.04 -1.26 -4.76 135.00 134.51 3hb9 s PRO 867 Ca 0.64 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.77 3hb9 s PRO 867 Cb -0.34 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3hb9 s PRO 867 CO 0.28 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.88 3hb9 n GLY 868 N -3.11 2.33 0.54 0.56 0.00 -1.13 -1.84 105.19 102.53 3hb9 n GLY 868 Ca 0.09 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3hb9 n GLY 868 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 869 N 0.00 0.10 0.34 -0.02 0.00 -1.26 -4.58 105.19 99.77 3hb9 n GLY 869 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.58 3hb9 n GLY 869 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hb9 h GLN 870 N 2.65 0.00 0.00 1.61 4.15 -1.69 0.54 115.11 122.37 3hb9 h GLN 870 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hb9 h GLN 870 Cb 0.64 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3hb9 h GLN 870 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 178.83 177.00 3hb9 h TYR 871 N 0.00 0.00 0.00 3.99 -0.00 -1.81 0.65 116.97 119.80 3hb9 h TYR 871 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 59.08 3hb9 h TYR 871 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.54 3hb9 h TYR 871 CO -0.68 0.00 -0.92 1.03 -0.00 0.00 0.00 178.16 177.59 3hb9 h SER 872 N 0.00 0.00 -0.34 0.10 0.87 -0.30 -3.34 113.55 110.54 3hb9 h SER 872 Ca 0.00 -0.38 0.06 0.00 -1.23 0.00 0.00 61.79 60.24 3hb9 h SER 872 Cb 0.01 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 3hb9 h SER 872 CO 0.00 1.21 0.04 0.78 -0.53 0.00 0.00 176.83 178.33 3hb9 h ASN 873 N -1.00 -0.06 0.52 6.23 2.35 -0.12 -1.27 115.58 122.24 3hb9 h ASN 873 Ca -0.22 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3hb9 h ASN 873 Cb 1.01 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3hb9 h ASN 873 CO -0.13 0.01 -0.05 0.25 -1.65 0.00 0.00 177.43 175.85 3hb9 h LEU 874 N 0.14 0.00 0.00 1.61 5.85 -0.02 0.13 115.31 123.02 3hb9 h LEU 874 Ca 0.16 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.61 3hb9 h LEU 874 Cb 0.20 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3hb9 h LEU 874 CO -0.24 0.05 -1.09 -1.28 -0.34 0.00 0.00 178.44 175.54 3hb9 h SER 875 N 0.00 0.83 -0.08 1.25 0.87 -1.43 0.32 113.55 115.31 3hb9 h SER 875 Ca -0.00 -0.70 0.01 0.00 -1.23 0.00 0.00 61.79 59.87 3hb9 h SER 875 Cb 0.33 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3hb9 h SER 875 CO 0.01 1.50 -0.00 -0.61 -0.53 0.00 0.00 176.83 177.20 3hb9 h GLN 876 N 0.33 0.02 -0.74 2.24 4.15 -0.12 -1.55 115.11 119.45 3hb9 h GLN 876 Ca -0.14 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.38 3hb9 h GLN 876 Cb 1.74 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 29.35 3hb9 h GLN 876 CO 0.21 0.02 0.37 1.96 -1.93 0.00 0.00 178.83 179.46 3hb9 h GLN 877 N 0.02 0.60 -0.35 1.69 4.20 -0.80 -2.23 115.11 118.25 3hb9 h GLN 877 Ca 0.03 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3hb9 h GLN 877 Cb 0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3hb9 h GLN 877 CO -0.06 0.40 0.06 0.00 -0.67 0.00 0.00 178.83 178.56 3hb9 h ALA 878 N 1.45 1.46 -0.43 3.87 0.00 -0.44 -2.36 119.26 122.81 3hb9 h ALA 878 Ca 0.37 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hb9 h ALA 878 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hb9 h ALA 878 CO -0.28 0.39 -0.06 0.87 0.00 0.00 0.00 179.25 180.17 3hb9 h LYS 879 N 0.50 0.79 0.00 0.00 1.79 -0.72 0.46 116.57 119.39 3hb9 h LYS 879 Ca 0.12 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 3hb9 h LYS 879 Cb 0.23 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3hb9 h LYS 879 CO -0.00 0.89 -0.07 0.77 -1.08 0.00 0.00 179.45 179.96 3hb9 h SER 880 N 0.62 0.00 0.02 0.86 0.02 -0.97 -2.10 113.55 112.00 3hb9 h SER 880 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3hb9 h SER 880 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3hb9 h SER 880 CO 0.03 0.07 -0.28 0.18 -1.14 0.00 0.00 176.83 175.69 3hb9 n LEU 881 N -3.41 2.06 0.00 5.07 4.77 -1.00 -4.96 117.00 119.54 3hb9 n LEU 881 Ca -0.01 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3hb9 n LEU 881 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hb9 n LEU 881 CO 0.28 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3hb9 n GLY 882 N 1.37 0.59 0.62 -0.72 0.00 -0.79 -4.97 105.19 101.29 3hb9 n GLY 882 Ca 0.12 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3hb9 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hb9 n LEU 883 N 0.00 3.34 -0.14 0.99 4.77 0.16 -4.73 117.00 121.38 3hb9 n LEU 883 Ca 0.00 -2.94 0.05 0.00 -0.03 0.00 0.00 56.01 53.10 3hb9 n LEU 883 Cb 0.29 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.27 3hb9 n LEU 883 CO 0.00 0.68 1.21 1.23 -1.33 0.00 0.00 177.39 179.18 3hb9 h GLY 884 N 1.26 0.86 0.44 -0.72 0.00 -1.81 -0.47 103.07 102.62 3hb9 h GLY 884 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hb9 h GLY 884 CO 0.14 0.24 -0.01 1.18 0.00 0.00 0.00 176.54 178.09 3hb9 n GLU 885 N -4.47 1.23 -1.13 4.80 -0.58 -1.26 -3.88 120.64 115.36 3hb9 n GLU 885 Ca 0.09 -0.38 0.02 0.00 -0.42 0.00 0.00 57.16 56.47 3hb9 n GLU 885 Cb 0.17 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.67 3hb9 n GLU 885 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hb9 n ARG 886 N -0.55 1.25 0.22 3.49 1.74 -0.20 -4.84 116.66 117.76 3hb9 n ARG 886 Ca 0.21 -2.96 0.08 0.00 -0.77 0.00 0.00 57.85 54.42 3hb9 n ARG 886 Cb 0.21 -1.14 0.52 0.00 -1.02 0.00 0.00 32.46 31.03 3hb9 n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3hb9 h PHE 887 N 1.18 0.00 -0.93 -1.55 3.57 -1.62 -1.94 116.94 115.65 3hb9 h PHE 887 Ca -0.05 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hb9 h PHE 887 Cb 1.36 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3hb9 h PHE 887 CO 0.56 0.24 0.61 0.38 -2.23 0.00 0.00 178.31 177.88 3hb9 h ASP 888 N 0.00 1.03 -0.92 0.41 -0.00 -1.90 0.09 116.42 115.12 3hb9 h ASP 888 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3hb9 h ASP 888 Cb 0.58 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.33 39.62 3hb9 h ASP 888 CO 0.03 0.72 0.59 -0.33 -0.00 0.00 0.00 179.24 180.26 3hb9 h GLU 889 N 1.20 1.23 0.11 4.15 5.08 -1.75 -1.12 114.58 123.48 3hb9 h GLU 889 Ca 0.36 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3hb9 h GLU 889 Cb -0.05 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.93 3hb9 h GLU 889 CO -0.10 0.83 -0.05 0.28 -1.00 0.00 0.00 179.01 178.96 3hb9 h VAL 890 N 1.26 1.06 -0.77 3.13 2.07 -1.20 -0.36 116.25 121.44 3hb9 h VAL 890 Ca 0.34 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.25 3hb9 h VAL 890 Cb -0.12 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 3hb9 h VAL 890 CO -0.07 0.17 0.38 0.11 0.02 0.00 0.00 177.57 178.18 3hb9 h LYS 891 N -0.49 0.58 -0.07 1.57 1.57 -0.95 0.18 116.57 118.96 3hb9 h LYS 891 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hb9 h LYS 891 Cb 0.40 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hb9 h LYS 891 CO 0.03 0.38 0.01 0.22 -0.57 0.00 0.00 179.45 179.52 3hb9 h ASP 892 N 0.60 0.11 -0.80 0.86 3.58 -1.14 -2.82 116.42 116.81 3hb9 h ASP 892 Ca 0.40 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3hb9 h ASP 892 Cb 0.49 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.48 3hb9 h ASP 892 CO -0.32 0.33 0.48 -0.03 -2.88 0.00 0.00 179.24 176.82 3hb9 h MET 893 N -0.11 1.09 -0.66 0.28 4.05 -0.50 -1.41 114.93 117.67 3hb9 h MET 893 Ca 0.02 -0.10 0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3hb9 h MET 893 Cb 0.27 -0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 3hb9 h MET 893 CO 0.00 0.77 0.30 -0.92 0.23 0.00 0.00 176.91 177.29 3hb9 h TYR 894 N 1.11 0.53 -0.56 1.39 3.20 -0.54 0.59 116.97 122.69 3hb9 h TYR 894 Ca 0.29 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 3hb9 h TYR 894 Cb -0.04 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3hb9 h TYR 894 CO 0.00 0.17 0.01 -0.09 -1.64 0.00 0.00 178.16 176.62 3hb9 h ARG 895 N 0.52 0.95 -0.22 1.82 2.43 -1.10 -2.49 114.38 116.29 3hb9 h ARG 895 Ca 0.33 -0.28 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 3hb9 h ARG 895 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3hb9 h ARG 895 CO -0.28 0.94 -0.62 0.00 -1.51 0.00 0.00 179.97 178.50 3hb9 h ARG 896 N 0.88 0.75 0.00 0.20 3.08 -0.19 -2.83 114.38 116.27 3hb9 h ARG 896 Ca 0.16 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 3hb9 h ARG 896 Cb 0.51 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3hb9 h ARG 896 CO 0.02 1.14 -0.19 0.28 -1.07 0.00 0.00 179.97 180.16 3hb9 h VAL 897 N 0.56 1.13 0.35 2.04 2.07 0.19 0.39 116.25 122.98 3hb9 h VAL 897 Ca -0.01 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3hb9 h VAL 897 Cb 1.21 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3hb9 h VAL 897 CO 0.13 0.18 -0.19 -1.13 0.02 0.00 0.00 177.57 176.58 3hb9 h ASN 898 N 0.00 -0.46 0.32 0.57 -0.73 -1.19 -1.01 115.58 113.08 3hb9 h ASN 898 Ca -0.00 0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.04 3hb9 h ASN 898 Cb 0.33 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 3hb9 h ASN 898 CO 0.02 -0.31 -0.59 -0.26 -0.37 0.00 0.00 177.43 175.92 3hb9 h PHE 899 N -0.50 0.36 -0.47 0.67 -1.00 -1.45 0.29 116.94 114.84 3hb9 h PHE 899 Ca -0.04 -0.13 0.09 0.00 2.81 0.00 0.00 57.97 60.69 3hb9 h PHE 899 Cb 0.40 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3hb9 h PHE 899 CO -0.07 0.80 0.32 1.25 -1.61 0.00 0.00 178.31 179.00 3hb9 h LEU 900 N 0.21 0.24 -2.01 1.54 5.85 -0.84 -0.89 115.31 119.41 3hb9 h LEU 900 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hb9 h LEU 900 Cb 1.10 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3hb9 h LEU 900 CO 0.09 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 178.84 3hb9 n PHE 901 N -4.46 0.59 0.00 1.25 3.01 -0.39 -4.92 117.46 112.54 3hb9 n PHE 901 Ca 0.07 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.23 3hb9 n PHE 901 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3hb9 n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 902 N 1.40 0.88 2.13 1.37 0.00 -0.34 -4.58 105.19 106.05 3hb9 n GLY 902 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3hb9 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb9 n ASP 903 N 0.00 -4.93 -4.81 1.61 4.64 0.98 -4.77 116.55 109.27 3hb9 n ASP 903 Ca 0.00 0.46 -0.22 0.00 -1.38 0.00 0.00 54.79 53.65 3hb9 n ASP 903 Cb 0.00 -3.14 -0.04 0.00 -1.04 0.00 0.00 41.12 36.90 3hb9 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hb9 s ILE 904 N -1.35 4.16 -0.01 5.18 -4.36 -1.25 -4.88 121.20 118.69 3hb9 s ILE 904 Ca 0.07 -1.45 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 3hb9 s ILE 904 Cb -0.02 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 3hb9 s ILE 904 CO 0.38 -0.32 1.24 -0.69 0.24 0.00 0.00 174.94 175.79 3hb9 s VAL 905 N -2.19 4.09 -0.63 8.37 1.01 -1.26 -4.99 120.40 124.80 3hb9 s VAL 905 Ca 0.34 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.71 3hb9 s VAL 905 Cb -0.07 -3.93 0.16 0.00 0.00 0.00 0.00 36.38 32.54 3hb9 s VAL 905 CO 0.25 0.03 0.49 -0.54 0.00 0.00 0.00 175.10 175.33 3hb9 s LYS 906 N 1.92 2.77 0.28 2.72 1.02 -1.26 -4.66 119.74 122.52 3hb9 s LYS 906 Ca 0.58 -2.32 0.02 0.00 0.02 0.00 0.00 55.97 54.27 3hb9 s LYS 906 Cb -0.27 -3.93 -0.05 0.00 -0.52 0.00 0.00 37.83 33.06 3hb9 s LYS 906 CO 0.25 -1.20 0.11 0.08 -0.92 0.00 0.00 175.35 173.67 3hb9 s VAL 907 N 0.35 0.54 0.24 3.17 1.01 -1.26 -4.53 120.40 119.91 3hb9 s VAL 907 Ca 0.14 -2.00 -0.31 0.00 0.00 0.00 0.00 61.98 59.81 3hb9 s VAL 907 Cb -0.19 -2.60 -0.12 0.00 0.00 0.00 0.00 36.38 33.47 3hb9 s VAL 907 CO -0.04 0.00 1.67 1.07 0.00 0.00 0.00 175.10 177.80 3hb9 n THR 908 N -0.53 0.40 1.07 3.92 5.66 -1.26 0.39 114.28 123.93 3hb9 n THR 908 Ca -0.00 -0.10 0.12 0.00 -3.05 0.00 0.00 64.05 61.02 3hb9 n THR 908 Cb 0.66 -1.97 0.24 0.00 -1.55 0.00 0.00 70.33 67.70 3hb9 n THR 908 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3hb9 n PRO 909 N 3.25 2.14 -0.08 1.09 -0.04 -1.26 -4.69 135.00 135.41 3hb9 n PRO 909 Ca 0.13 -1.67 0.13 0.00 -0.04 0.00 0.00 63.50 62.05 3hb9 n PRO 909 Cb 0.35 -1.47 0.52 0.00 -0.04 0.00 0.00 33.50 32.87 3hb9 n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hb9 h SER 910 N 3.94 0.33 0.29 3.54 4.64 -0.38 0.07 113.55 125.98 3hb9 h SER 910 Ca 0.00 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3hb9 h SER 910 Cb 0.84 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3hb9 h SER 910 CO 0.00 0.20 -0.45 0.77 -0.87 0.00 0.00 176.83 176.48 3hb9 h SER 911 N 0.37 0.21 -0.30 4.97 4.64 -0.72 -2.44 113.55 120.28 3hb9 h SER 911 Ca 0.28 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 3hb9 h SER 911 Cb 0.62 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3hb9 h SER 911 CO -0.07 0.63 -0.20 0.50 -0.87 0.00 0.00 176.83 176.82 3hb9 h LYS 912 N 0.17 0.77 -0.12 4.77 3.64 -1.25 -2.50 116.57 122.04 3hb9 h LYS 912 Ca 0.01 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3hb9 h LYS 912 Cb 0.86 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3hb9 h LYS 912 CO 0.07 0.91 -0.04 0.28 -2.27 0.00 0.00 179.45 178.39 3hb9 h VAL 913 N 0.68 0.86 -0.29 2.00 2.07 -1.04 0.25 116.25 120.78 3hb9 h VAL 913 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3hb9 h VAL 913 Cb 0.70 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3hb9 h VAL 913 CO 0.05 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.36 3hb9 h VAL 914 N -0.02 1.15 -0.67 2.57 2.07 -1.39 -2.72 116.25 117.24 3hb9 h VAL 914 Ca 0.06 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3hb9 h VAL 914 Cb 0.11 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3hb9 h VAL 914 CO -0.13 0.15 0.28 1.23 0.02 0.00 0.00 177.57 179.12 3hb9 h GLY 915 N 0.33 1.07 1.17 2.17 0.00 -1.27 -0.60 103.07 105.94 3hb9 h GLY 915 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3hb9 h GLY 915 CO -0.01 0.54 0.39 -0.55 0.00 0.00 0.00 176.54 176.90 3hb9 h ASP 916 N 0.95 0.97 -0.25 0.19 3.45 -0.85 -0.64 116.42 120.23 3hb9 h ASP 916 Ca 0.23 -0.10 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 3hb9 h ASP 916 Cb 0.19 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3hb9 h ASP 916 CO -0.02 0.81 -0.19 0.24 -1.57 0.00 0.00 179.24 178.51 3hb9 h MET 917 N 1.08 0.57 -0.38 3.56 2.86 -1.25 -1.59 114.93 119.78 3hb9 h MET 917 Ca 0.27 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3hb9 h MET 917 Cb 0.08 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 3hb9 h MET 917 CO -0.04 0.86 0.00 0.00 1.06 0.00 0.00 176.91 178.79 3hb9 h ALA 918 N 0.70 0.35 -0.09 6.32 0.00 -0.69 0.26 119.26 126.12 3hb9 h ALA 918 Ca 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hb9 h ALA 918 Cb 0.72 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hb9 h ALA 918 CO 0.05 -0.39 0.05 -0.07 0.00 0.00 0.00 179.25 178.89 3hb9 h LEU 919 N 0.11 0.11 -0.65 0.00 4.07 -1.15 -2.79 115.31 115.01 3hb9 h LEU 919 Ca 0.19 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.18 3hb9 h LEU 919 Cb 0.26 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 3hb9 h LEU 919 CO -0.31 0.14 0.29 0.22 -1.08 0.00 0.00 178.44 177.70 3hb9 h TYR 920 N 0.08 0.51 -0.09 1.13 3.20 -0.44 -1.51 116.97 119.84 3hb9 h TYR 920 Ca 0.03 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 3hb9 h TYR 920 Cb 0.05 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.20 3hb9 h TYR 920 CO -0.05 0.17 -0.74 0.52 -1.64 0.00 0.00 178.16 176.42 3hb9 h MET 921 N 0.50 0.66 -0.47 1.82 2.86 -0.95 -1.84 114.93 117.52 3hb9 h MET 921 Ca 0.32 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 3hb9 h MET 921 Cb 0.36 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3hb9 h MET 921 CO -0.28 1.20 0.17 0.28 1.06 0.00 0.00 176.91 179.34 3hb9 h VAL 922 N 0.33 1.22 -0.82 -2.22 2.07 -1.36 0.18 116.25 115.64 3hb9 h VAL 922 Ca -0.07 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hb9 h VAL 922 Cb 1.39 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 3hb9 h VAL 922 CO 0.15 0.25 0.42 -0.61 0.02 0.00 0.00 177.57 177.81 3hb9 h GLN 923 N 0.61 1.16 -0.55 1.57 4.15 -1.27 -3.06 115.11 117.72 3hb9 h GLN 923 Ca 0.15 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hb9 h GLN 923 Cb 0.23 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3hb9 h GLN 923 CO -0.01 0.86 0.00 0.09 -1.93 0.00 0.00 178.83 177.85 3hb9 n ASN 924 N -4.33 3.32 -3.69 -0.69 3.02 -0.69 -4.95 115.26 107.25 3hb9 n ASN 924 Ca 0.08 -1.98 -0.21 0.00 -0.03 0.00 0.00 54.58 52.44 3hb9 n ASN 924 Cb 0.12 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3hb9 n ASN 924 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hb9 n ASP 925 N 1.34 -1.38 -4.85 6.41 8.00 -0.49 -5.00 116.55 120.59 3hb9 n ASP 925 Ca 0.21 -0.82 -0.28 0.00 0.71 0.00 0.00 54.79 54.61 3hb9 n ASP 925 Cb 0.54 -4.08 -0.05 0.00 -0.02 0.00 0.00 41.12 37.52 3hb9 n ASP 925 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hb9 s LEU 926 N -6.64 4.02 0.00 0.64 1.02 0.50 -5.04 118.68 113.18 3hb9 s LEU 926 Ca 0.02 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.21 3hb9 s LEU 926 Cb -0.01 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.57 3hb9 s LEU 926 CO 0.81 0.11 0.00 -0.90 0.02 0.00 0.00 176.35 176.39 3hb9 n ASP 927 N -0.10 1.12 -0.02 2.29 3.85 -1.26 -4.67 116.55 117.75 3hb9 n ASP 927 Ca -0.08 -0.94 -0.02 0.00 -0.71 0.00 0.00 54.79 53.05 3hb9 n ASP 927 Cb 0.53 0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.53 3hb9 n ASP 927 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3hb9 h GLU 928 N 0.00 0.58 0.15 0.11 3.07 -2.00 -2.55 114.58 113.94 3hb9 h GLU 928 Ca 0.00 -0.16 -0.28 0.00 -0.50 0.00 0.00 59.36 58.43 3hb9 h GLU 928 Cb 0.00 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3hb9 h GLU 928 CO 0.00 0.66 -1.17 1.96 -1.40 0.00 0.00 179.01 179.06 3hb9 h GLN 929 N 0.54 0.52 -0.00 2.33 7.50 -2.02 -3.34 115.11 120.64 3hb9 h GLN 929 Ca 0.10 -0.77 0.00 0.00 0.50 0.00 0.00 58.65 58.49 3hb9 h GLN 929 Cb 0.46 0.27 0.00 0.00 0.05 0.00 0.00 27.48 28.26 3hb9 h GLN 929 CO 0.02 1.35 -0.21 -1.13 -1.50 0.00 0.00 178.83 177.36 3hb9 n SER 930 N -3.88 0.29 0.22 1.46 3.41 -1.21 -2.72 113.62 111.19 3hb9 n SER 930 Ca -0.14 -0.01 0.10 0.00 -0.26 0.00 0.00 58.87 58.55 3hb9 n SER 930 Cb 0.96 -0.12 0.44 0.00 -0.26 0.00 0.00 64.21 65.23 3hb9 n SER 930 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hb9 h VAL 931 N 0.13 0.57 0.09 -3.33 3.04 -1.58 -1.60 116.25 113.57 3hb9 h VAL 931 Ca 0.00 -1.15 -0.36 0.00 -1.01 0.00 0.00 66.70 64.18 3hb9 h VAL 931 Cb 0.47 1.78 -0.03 0.00 -2.01 0.00 0.00 31.29 31.51 3hb9 h VAL 931 CO 0.00 0.23 -1.99 -0.38 -1.01 0.00 0.00 177.57 174.42 3hb9 n ILE 932 N -3.39 1.71 0.01 3.17 5.41 -1.15 -3.11 119.36 122.01 3hb9 n ILE 932 Ca 0.00 -0.56 -0.12 0.00 1.00 0.00 0.00 62.75 63.08 3hb9 n ILE 932 Cb 0.44 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.57 3hb9 n ILE 932 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3hb9 h THR 933 N -0.10 1.03 -0.02 1.39 2.02 -1.50 -3.18 112.91 112.55 3hb9 h THR 933 Ca -0.44 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3hb9 h THR 933 Cb 1.91 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3hb9 h THR 933 CO 0.01 0.03 -0.25 0.47 0.37 0.00 0.00 175.52 176.15 3hb9 n ASP 934 N -5.04 2.08 0.26 4.18 10.43 -0.61 -4.56 116.55 123.30 3hb9 n ASP 934 Ca -0.06 -1.55 0.18 0.00 2.57 0.00 0.00 54.79 55.93 3hb9 n ASP 934 Cb 0.04 0.23 0.91 0.00 1.84 0.00 0.00 41.12 44.14 3hb9 n ASP 934 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hb9 h GLY 935 N 4.82 0.00 2.00 0.44 0.00 -1.52 -0.27 103.07 108.54 3hb9 h GLY 935 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hb9 h GLY 935 CO 0.00 0.00 -0.20 0.10 0.00 0.00 0.00 176.54 176.44 3hb9 h TYR 936 N 0.00 0.00 -0.03 5.60 -0.00 -1.80 -3.11 116.97 117.63 3hb9 h TYR 936 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.77 3hb9 h TYR 936 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.17 3hb9 h TYR 936 CO 0.00 0.20 -0.42 0.36 -0.00 0.00 0.00 178.16 178.29 3hb9 n LYS 937 N -3.71 1.59 -5.13 0.10 2.85 -0.12 -5.01 118.16 108.74 3hb9 n LYS 937 Ca -0.01 -3.23 -0.32 0.00 -1.05 0.00 0.00 58.31 53.69 3hb9 n LYS 937 Cb 0.31 -1.63 -0.15 0.00 -0.65 0.00 0.00 35.03 32.91 3hb9 n LYS 937 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hb9 s LEU 938 N -3.21 2.30 -0.79 -5.58 1.43 -1.16 -5.08 118.68 106.59 3hb9 s LEU 938 Ca 0.38 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 3hb9 s LEU 938 Cb 0.36 -1.44 0.19 0.00 0.03 0.00 0.00 46.19 45.33 3hb9 s LEU 938 CO -0.06 0.27 0.78 -0.62 0.23 0.00 0.00 176.35 176.96 3hb9 s ASP 939 N -0.30 6.64 0.32 2.29 3.68 -1.26 -4.97 116.67 123.07 3hb9 s ASP 939 Ca 0.01 -2.41 -0.29 0.00 2.13 0.00 0.00 52.55 51.99 3hb9 s ASP 939 Cb -0.13 -2.24 -0.10 0.00 -1.45 0.00 0.00 42.92 39.00 3hb9 s ASP 939 CO 0.02 -0.71 1.26 -0.36 0.13 0.00 0.00 175.17 175.51 3hb9 s PHE 940 N 0.86 3.18 0.31 -5.34 0.40 -1.26 -4.94 117.98 111.19 3hb9 s PHE 940 Ca 0.18 1.48 -0.27 0.00 -0.60 0.00 0.00 56.93 57.72 3hb9 s PHE 940 Cb -0.13 -3.58 -0.13 0.00 0.51 0.00 0.00 43.02 39.68 3hb9 s PHE 940 CO -0.07 -1.54 0.98 -2.30 0.70 0.00 0.00 175.22 172.99 3hb9 n PRO 941 N 0.91 1.30 -0.04 0.24 -0.02 -1.26 -4.68 135.00 131.45 3hb9 n PRO 941 Ca -0.00 0.46 0.24 0.00 -2.02 0.00 0.00 63.50 62.17 3hb9 n PRO 941 Cb 0.42 -1.85 0.72 0.00 -0.02 0.00 0.00 33.50 32.78 3hb9 n PRO 941 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hb9 h GLU 942 N 1.85 0.00 -0.20 -0.52 4.39 -2.00 0.15 114.58 118.25 3hb9 h GLU 942 Ca -0.40 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.20 3hb9 h GLU 942 Cb 1.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3hb9 h GLU 942 CO 0.59 0.00 -0.29 0.66 -1.16 0.00 0.00 179.01 178.81 3hb9 h SER 943 N 0.00 0.40 0.49 1.42 4.64 -1.97 -1.63 113.55 116.90 3hb9 h SER 943 Ca 0.30 -0.14 -0.30 0.00 -0.47 0.00 0.00 61.79 61.18 3hb9 h SER 943 Cb 1.34 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3hb9 h SER 943 CO -0.00 0.69 -1.53 1.62 -0.87 0.00 0.00 176.83 176.73 3hb9 h VAL 944 N 0.35 1.13 -0.54 0.95 3.04 -1.27 -2.56 116.25 117.35 3hb9 h VAL 944 Ca 0.05 -2.82 -0.11 0.00 -1.01 0.00 0.00 66.70 62.81 3hb9 h VAL 944 Cb 0.70 2.71 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 3hb9 h VAL 944 CO 0.05 0.79 -0.09 -0.37 -1.01 0.00 0.00 177.57 176.94 3hb9 h VAL 945 N 0.05 1.27 -0.66 1.51 -1.51 -1.52 -0.69 116.25 114.70 3hb9 h VAL 945 Ca -0.24 -1.24 0.06 0.00 -1.23 0.00 0.00 66.70 64.05 3hb9 h VAL 945 Cb 1.99 0.94 -0.05 0.00 -2.13 0.00 0.00 31.29 32.04 3hb9 h VAL 945 CO 0.14 0.44 0.36 -1.28 -1.23 0.00 0.00 177.57 176.00 3hb9 h SER 946 N 0.90 0.53 -0.18 4.19 0.87 -1.39 -0.26 113.55 118.21 3hb9 h SER 946 Ca 0.14 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3hb9 h SER 946 Cb 0.65 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3hb9 h SER 946 CO 0.05 0.34 0.08 0.15 -0.53 0.00 0.00 176.83 176.92 3hb9 h PHE 947 N 0.67 0.27 0.00 2.24 3.04 -1.04 -2.11 116.94 120.00 3hb9 h PHE 947 Ca 0.29 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3hb9 h PHE 947 Cb 0.19 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3hb9 h PHE 947 CO -0.08 0.30 0.00 1.19 -2.02 0.00 0.00 178.31 177.70 3hb9 n PHE 948 N -4.87 0.00 0.89 0.41 3.01 -0.30 -1.90 117.46 114.70 3hb9 n PHE 948 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.53 3hb9 n PHE 948 Cb 0.10 -0.14 0.11 0.00 -0.01 0.00 0.00 39.48 39.54 3hb9 n PHE 948 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hb9 n LYS 949 N -1.14 0.07 -1.04 -1.08 4.81 -0.13 -4.82 118.16 114.82 3hb9 n LYS 949 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3hb9 n LYS 949 Cb 0.14 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.67 3hb9 n LYS 949 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hb9 n GLY 950 N 1.47 0.59 0.12 3.14 0.00 -0.80 -0.29 105.19 109.41 3hb9 n GLY 950 Ca 0.04 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.39 3hb9 n GLY 950 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hb9 h GLU 951 N 0.00 0.00 0.00 1.61 5.08 -1.58 -2.91 114.58 116.78 3hb9 h GLU 951 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hb9 h GLU 951 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hb9 h GLU 951 CO 0.00 0.00 -1.53 -0.89 -1.00 0.00 0.00 179.01 175.59 3hb9 n ILE 952 N -2.40 0.02 0.00 3.13 -0.00 -1.26 -4.83 119.36 114.02 3hb9 n ILE 952 Ca 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 3hb9 n ILE 952 Cb 0.45 0.39 0.00 0.00 -0.00 0.00 0.00 39.64 40.48 3hb9 n ILE 952 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hb9 n GLY 953 N 1.36 0.32 3.54 7.39 0.00 -1.10 -4.85 105.19 111.85 3hb9 n GLY 953 Ca -0.00 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 3hb9 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hb9 s GLN 954 N 0.00 3.84 0.61 1.61 -1.52 -1.26 -4.60 119.66 118.34 3hb9 s GLN 954 Ca 0.00 -0.39 -0.17 0.00 -1.95 0.00 0.00 55.36 52.85 3hb9 s GLN 954 Cb 0.00 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 3hb9 s GLN 954 CO 0.00 -0.09 1.14 -1.25 -0.25 0.00 0.00 175.29 174.85 3hb9 s PRO 955 N 1.41 2.99 0.13 2.91 0.04 -1.26 -4.66 135.00 136.56 3hb9 s PRO 955 Ca 0.06 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 3hb9 s PRO 955 Cb -0.15 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3hb9 s PRO 955 CO 0.06 -1.14 1.68 0.28 0.04 0.00 0.00 177.00 177.91 3hb9 h VAL 956 N 0.61 0.64 -0.00 -0.36 2.07 -1.91 -0.61 116.25 116.70 3hb9 h VAL 956 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hb9 h VAL 956 Cb 1.27 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hb9 h VAL 956 CO 0.55 0.00 -0.02 0.59 0.02 0.00 0.00 177.57 178.71 3hb9 n ASN 957 N -5.27 0.23 0.00 0.57 4.13 -1.26 -5.03 115.26 108.63 3hb9 n ASN 957 Ca -0.02 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.43 3hb9 n ASN 957 Cb 0.19 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 3hb9 n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb9 n GLY 958 N 1.12 -1.26 3.60 7.41 0.00 -0.24 -4.90 105.19 110.92 3hb9 n GLY 958 Ca 0.20 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3hb9 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hb9 s PHE 959 N 0.00 2.86 -0.16 1.61 0.40 -1.26 -4.71 117.98 116.72 3hb9 s PHE 959 Ca 0.00 -0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 3hb9 s PHE 959 Cb 0.00 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 3hb9 s PHE 959 CO 0.00 0.39 1.42 1.21 0.70 0.00 0.00 175.22 178.94 3hb9 s ASN 960 N -1.63 6.76 0.17 1.36 3.84 -1.26 -4.93 114.94 119.25 3hb9 s ASN 960 Ca 0.18 1.76 -0.15 0.00 0.21 0.00 0.00 52.86 54.87 3hb9 s ASN 960 Cb -0.11 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.17 3hb9 s ASN 960 CO 0.09 -0.91 1.74 0.11 -2.79 0.00 0.00 177.10 175.34 3hb9 h LYS 961 N 9.04 0.25 -0.58 0.43 1.57 -1.99 0.23 116.57 125.52 3hb9 h LYS 961 Ca -0.31 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 3hb9 h LYS 961 Cb 1.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3hb9 h LYS 961 CO 0.98 0.17 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.57 3hb9 h ASP 962 N 0.26 1.00 -0.31 0.86 3.32 -1.99 -1.14 116.42 118.42 3hb9 h ASP 962 Ca 0.20 -0.28 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 3hb9 h ASP 962 Cb 0.22 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3hb9 h ASP 962 CO -0.24 1.06 -0.50 0.25 -1.72 0.00 0.00 179.24 178.09 3hb9 h LEU 963 N 0.94 0.99 -0.66 1.55 5.85 -1.88 -2.49 115.31 119.60 3hb9 h LEU 963 Ca 0.17 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.40 3hb9 h LEU 963 Cb 0.56 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3hb9 h LEU 963 CO 0.03 1.31 0.42 -0.61 -0.34 0.00 0.00 178.44 179.25 3hb9 h GLN 964 N 0.70 0.82 0.07 1.25 4.15 -0.83 -2.73 115.11 118.53 3hb9 h GLN 964 Ca 0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hb9 h GLN 964 Cb 1.11 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 3hb9 h GLN 964 CO 0.12 0.54 -0.06 0.00 -1.93 0.00 0.00 178.83 177.50 3hb9 h ALA 965 N 1.26 -0.11 -0.35 3.38 0.00 -1.10 -1.31 119.26 121.04 3hb9 h ALA 965 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hb9 h ALA 965 Cb -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hb9 h ALA 965 CO -0.08 -0.57 0.20 0.28 0.00 0.00 0.00 179.25 179.08 3hb9 h VAL 966 N -0.13 1.10 0.06 0.00 2.07 -1.33 -2.21 116.25 115.80 3hb9 h VAL 966 Ca 0.00 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 3hb9 h VAL 966 Cb 0.12 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3hb9 h VAL 966 CO -0.01 0.11 -0.78 0.40 0.02 0.00 0.00 177.57 177.31 3hb9 h ILE 967 N 0.48 1.37 0.00 4.57 2.04 -1.31 -3.37 117.51 121.28 3hb9 h ILE 967 Ca 0.13 -2.36 -0.06 0.00 1.00 0.00 0.00 64.86 63.56 3hb9 h ILE 967 Cb -0.01 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3hb9 h ILE 967 CO -0.02 0.59 -0.29 -0.07 0.00 0.00 0.00 178.15 178.36 3hb9 h LEU 968 N -0.70 0.00 -1.67 1.44 3.38 -1.17 -3.47 115.31 113.12 3hb9 h LEU 968 Ca -0.18 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.34 3hb9 h LEU 968 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3hb9 h LEU 968 CO 0.00 0.29 -0.84 0.29 0.09 0.00 0.00 178.44 178.27 3hb9 n LYS 969 N -3.61 -4.47 0.00 1.13 5.02 -0.84 -1.92 118.16 113.47 3hb9 n LYS 969 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3hb9 n LYS 969 Cb 0.42 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3hb9 n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hb9 n GLY 970 N -1.70 1.07 3.73 0.72 0.00 -1.26 -5.05 105.19 102.69 3hb9 n GLY 970 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3hb9 n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hb9 s GLN 971 N -0.73 4.42 0.28 1.61 -0.21 -0.81 -4.99 119.66 119.23 3hb9 s GLN 971 Ca 0.00 1.92 -0.29 0.00 0.02 0.00 0.00 55.36 57.01 3hb9 s GLN 971 Cb 0.00 -3.26 -0.10 0.00 1.00 0.00 0.00 33.01 30.65 3hb9 s GLN 971 CO 0.00 -0.23 1.35 -1.21 -2.12 0.00 0.00 175.29 173.07 3hb9 s GLU 972 N 0.39 4.34 0.34 2.91 2.02 -1.26 -4.89 118.70 122.55 3hb9 s GLU 972 Ca 0.57 2.20 -0.06 0.00 0.02 0.00 0.00 54.97 57.71 3hb9 s GLU 972 Cb -0.33 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 3hb9 s GLU 972 CO 0.34 -0.27 0.64 0.00 0.02 0.00 0.00 175.26 175.99 3hb9 s ALA 973 N -0.51 3.53 0.42 5.21 0.00 -1.26 -4.95 121.76 124.19 3hb9 s ALA 973 Ca 0.54 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 3hb9 s ALA 973 Cb -0.40 -2.43 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 3hb9 s ALA 973 CO 0.47 0.10 1.18 -0.51 0.00 0.00 0.00 175.76 177.00 3hb9 s LEU 974 N -3.79 4.13 0.00 0.00 1.43 0.60 -4.95 118.68 116.10 3hb9 s LEU 974 Ca 0.46 2.37 0.13 0.00 -1.03 0.00 0.00 54.13 56.06 3hb9 s LEU 974 Cb -0.10 -4.09 0.29 0.00 0.03 0.00 0.00 46.19 42.31 3hb9 s LEU 974 CO 0.32 -0.79 1.19 0.35 0.23 0.00 0.00 176.35 177.64 3hb9 n THR 975 N -0.13 0.68 -3.98 5.49 -2.24 -1.26 -4.84 114.28 108.00 3hb9 n THR 975 Ca 0.05 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 3hb9 n THR 975 Cb 0.47 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3hb9 n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hb9 s ALA 976 N -1.04 -0.06 0.38 6.98 0.00 -1.26 -5.14 121.76 121.62 3hb9 s ALA 976 Ca 0.24 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 3hb9 s ALA 976 Cb 0.13 1.01 -0.10 0.00 0.00 0.00 0.00 23.12 24.16 3hb9 s ALA 976 CO 0.18 -0.87 1.39 -0.98 0.00 0.00 0.00 175.76 175.49 3hb9 s ARG 977 N -3.35 4.08 0.39 0.00 1.70 -1.26 -4.89 118.95 115.62 3hb9 s ARG 977 Ca 0.23 2.37 0.18 0.00 -0.47 0.00 0.00 55.73 58.04 3hb9 s ARG 977 Cb -0.02 -2.90 1.08 0.00 -0.57 0.00 0.00 34.95 32.54 3hb9 s ARG 977 CO 0.13 -0.48 1.77 -1.35 -1.08 0.00 0.00 175.30 174.29 3hb9 h PRO 978 N 2.93 0.40 0.00 3.89 0.11 -1.88 -2.79 132.00 134.65 3hb9 h PRO 978 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hb9 h PRO 978 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hb9 h PRO 978 CO 0.64 0.26 -0.06 0.78 -0.21 0.00 0.00 178.00 179.41 3hb9 h GLY 979 N 0.41 0.00 -1.26 -0.55 0.00 -1.90 -2.88 103.07 96.89 3hb9 h GLY 979 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3hb9 h GLY 979 CO -0.31 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.39 3hb9 n GLU 980 N -4.35 1.96 0.09 4.80 0.28 -1.05 -3.56 120.64 118.81 3hb9 n GLU 980 Ca -0.03 -1.45 0.11 0.00 -0.16 0.00 0.00 57.16 55.64 3hb9 n GLU 980 Cb 0.14 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.58 3hb9 n GLU 980 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hb9 n TYR 981 N 0.68 0.84 -3.49 -1.84 4.02 -1.09 -4.92 117.16 111.36 3hb9 n TYR 981 Ca 0.17 0.25 -0.38 0.00 -0.01 0.00 0.00 57.90 57.92 3hb9 n TYR 981 Cb 0.42 -0.88 -0.06 0.00 -0.02 0.00 0.00 39.34 38.79 3hb9 n TYR 981 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hb9 s LEU 982 N -5.14 4.46 0.25 7.72 1.43 -1.23 -5.08 118.68 121.10 3hb9 s LEU 982 Ca -0.00 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 3hb9 s LEU 982 Cb 0.10 -2.59 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 3hb9 s LEU 982 CO 0.79 0.31 0.98 -1.61 0.23 0.00 0.00 176.35 177.05 3hb9 s GLU 983 N -0.96 4.79 0.27 1.70 2.02 -1.26 -4.74 118.70 120.52 3hb9 s GLU 983 Ca 0.24 1.57 -0.30 0.00 0.02 0.00 0.00 54.97 56.49 3hb9 s GLU 983 Cb -0.17 -3.24 -0.13 0.00 0.10 0.00 0.00 34.13 30.70 3hb9 s GLU 983 CO 0.13 0.43 1.45 -0.35 0.02 0.00 0.00 175.26 176.94 3hb9 n PRO 984 N 1.38 2.26 -2.17 0.39 -0.04 -1.26 -4.74 135.00 130.82 3hb9 n PRO 984 Ca -0.02 0.80 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 3hb9 n PRO 984 Cb 0.47 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 3hb9 n PRO 984 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hb9 s VAL 985 N -0.21 3.07 -0.47 0.52 1.01 -1.26 -4.99 120.40 118.07 3hb9 s VAL 985 Ca 0.65 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.27 3hb9 s VAL 985 Cb -0.59 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3hb9 s VAL 985 CO 0.51 0.14 0.94 -0.62 0.00 0.00 0.00 175.10 176.07 3hb9 s ASP 986 N 0.30 6.49 0.35 3.32 -1.08 -1.26 -4.91 116.67 119.88 3hb9 s ASP 986 Ca 0.57 0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.87 3hb9 s ASP 986 Cb -0.38 -2.45 0.49 0.00 -1.46 0.00 0.00 42.92 39.12 3hb9 s ASP 986 CO 0.40 -1.08 1.64 -0.26 0.52 0.00 0.00 175.17 176.39 3hb9 h PHE 987 N 9.11 0.00 -0.16 -5.34 -1.00 -1.99 -2.98 116.94 114.58 3hb9 h PHE 987 Ca -0.24 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.44 3hb9 h PHE 987 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3hb9 h PHE 987 CO 0.88 0.40 -0.35 0.93 -1.61 0.00 0.00 178.31 178.56 3hb9 h GLU 988 N 0.00 0.32 -0.18 1.51 4.39 -1.99 0.17 114.58 118.81 3hb9 h GLU 988 Ca -0.00 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 3hb9 h GLU 988 Cb 1.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3hb9 h GLU 988 CO 0.05 0.63 -0.55 0.87 -1.16 0.00 0.00 179.01 178.86 3hb9 h LYS 989 N 0.28 0.53 -0.32 2.33 1.79 -1.95 -2.24 116.57 116.98 3hb9 h LYS 989 Ca 0.03 -0.34 -0.11 0.00 -2.18 0.00 0.00 60.65 58.06 3hb9 h LYS 989 Cb 0.75 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3hb9 h LYS 989 CO 0.06 0.94 -0.23 0.28 -1.08 0.00 0.00 179.45 179.42 3hb9 h VAL 990 N 0.41 1.29 -0.47 0.50 2.07 -1.34 -2.09 116.25 116.63 3hb9 h VAL 990 Ca 0.01 -1.38 0.10 0.00 0.82 0.00 0.00 66.70 66.25 3hb9 h VAL 990 Cb 1.09 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.23 3hb9 h VAL 990 CO 0.10 0.45 -0.20 -0.09 0.02 0.00 0.00 177.57 177.85 3hb9 h ARG 991 N 0.50 -0.09 -0.57 1.57 9.65 -0.65 -2.04 114.38 122.73 3hb9 h ARG 991 Ca 0.06 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3hb9 h ARG 991 Cb 0.79 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 3hb9 h ARG 991 CO 0.06 -0.06 0.36 1.49 2.80 0.00 0.00 179.97 184.62 3hb9 h GLU 992 N -0.10 0.76 0.00 0.20 4.81 -1.16 -2.73 114.58 116.37 3hb9 h GLU 992 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3hb9 h GLU 992 Cb 0.44 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3hb9 h GLU 992 CO -0.53 0.52 -0.00 1.25 -0.73 0.00 0.00 179.01 179.52 3hb9 h LEU 993 N 0.78 -0.01 -0.62 1.64 5.85 -0.74 -3.09 115.31 119.12 3hb9 h LEU 993 Ca 0.21 -0.53 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 3hb9 h LEU 993 Cb -0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3hb9 h LEU 993 CO -0.04 0.53 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.33 3hb9 h LEU 994 N -0.55 0.90 -0.98 2.25 3.38 -1.30 -2.55 115.31 116.46 3hb9 h LEU 994 Ca -0.00 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 3hb9 h LEU 994 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hb9 h LEU 994 CO 0.00 1.07 -0.42 -0.33 0.09 0.00 0.00 178.44 178.85 3hb9 h GLU 995 N 0.78 0.19 -0.32 1.13 5.08 -1.61 -0.23 114.58 119.60 3hb9 h GLU 995 Ca 0.11 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hb9 h GLU 995 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hb9 h GLU 995 CO 0.06 0.58 0.08 1.49 -1.00 0.00 0.00 179.01 180.21 3hb9 h GLU 996 N 0.16 0.51 0.38 2.33 4.57 -1.42 -3.33 114.58 117.78 3hb9 h GLU 996 Ca 0.01 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3hb9 h GLU 996 Cb 0.81 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3hb9 h GLU 996 CO 0.06 0.58 -0.18 0.93 -1.18 0.00 0.00 179.01 179.21 3hb9 h GLU 997 N 0.35 -0.49 0.00 1.92 5.08 -1.16 -3.46 114.58 116.82 3hb9 h GLU 997 Ca 0.10 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hb9 h GLU 997 Cb 0.30 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hb9 h GLU 997 CO 0.00 -0.18 0.00 1.04 -1.00 0.00 0.00 179.01 178.87 3hb9 n GLN 998 N -5.15 -0.51 -0.01 2.33 6.02 -0.12 -5.00 117.38 114.94 3hb9 n GLN 998 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 3hb9 n GLN 998 Cb 0.28 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.44 3hb9 n GLN 998 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3hb9 h GLN 999 N 0.00 0.01 0.00 -1.09 -0.00 -1.86 -3.46 115.11 108.71 3hb9 h GLN 999 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hb9 h GLN 999 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3hb9 h GLN 999 CO 0.00 0.42 0.00 0.41 -0.00 0.00 0.00 178.83 179.66 3hb9 n GLY 1000N 0.03 -2.15 3.66 0.06 0.00 -1.26 -4.96 105.19 100.57 3hb9 n GLY 1000Ca -0.08 0.70 -0.44 0.00 0.00 0.00 0.00 46.02 46.20 3hb9 n GLY 1000CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hb9 n PRO 1001N 0.00 2.58 -4.16 1.61 -0.04 -1.26 -4.67 135.00 129.06 3hb9 n PRO 1001Ca 0.00 0.93 -0.18 0.00 -0.04 0.00 0.00 63.50 64.21 3hb9 n PRO 1001Cb 0.00 -2.90 -0.16 0.00 -0.04 0.00 0.00 33.50 30.40 3hb9 n PRO 1001CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hb9 s VAL 1002N 4.61 0.48 0.48 0.52 1.01 -1.26 -5.02 120.40 121.21 3hb9 s VAL 1002Ca 0.91 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.81 3hb9 s VAL 1002Cb -0.52 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.41 3hb9 s VAL 1002CO 0.45 0.19 0.65 0.42 0.00 0.00 0.00 175.10 176.81 3hb9 s THR 1003N 0.59 2.82 0.36 3.92 -4.23 -1.26 -4.99 115.64 112.85 3hb9 s THR 1003Ca -0.07 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 3hb9 s THR 1003Cb -0.11 -2.92 0.18 0.00 1.34 0.00 0.00 72.50 71.00 3hb9 s THR 1003CO -0.00 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.68 3hb9 h GLU 1004N 0.42 0.49 -0.07 3.99 4.39 -2.02 -2.33 114.58 119.45 3hb9 h GLU 1004Ca -0.40 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 3hb9 h GLU 1004Cb 1.28 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3hb9 h GLU 1004CO 0.46 0.48 -0.24 1.96 -1.16 0.00 0.00 179.01 180.52 3hb9 h GLN 1005N 0.48 0.12 -0.57 2.33 4.20 -1.97 -2.38 115.11 117.32 3hb9 h GLN 1005Ca 0.11 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3hb9 h GLN 1005Cb 0.24 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3hb9 h GLN 1005CO 0.00 0.36 0.07 -0.44 -0.67 0.00 0.00 178.83 178.15 3hb9 h ASP 1006N 0.11 0.92 0.18 1.46 3.32 -1.81 -2.94 116.42 117.65 3hb9 h ASP 1006Ca 0.02 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3hb9 h ASP 1006Cb 0.49 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hb9 h ASP 1006CO 0.03 0.96 -0.08 0.40 -1.72 0.00 0.00 179.24 178.83 3hb9 h ILE 1007N 0.84 0.93 0.00 0.35 2.04 -1.21 -1.28 117.51 119.18 3hb9 h ILE 1007Ca 0.17 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3hb9 h ILE 1007Cb 0.45 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3hb9 h ILE 1007CO 0.02 0.13 -0.39 0.16 0.00 0.00 0.00 178.15 178.07 3hb9 h ILE 1008N -0.53 1.00 -0.93 -0.67 -0.00 -1.67 -1.52 117.51 113.19 3hb9 h ILE 1008Ca -0.02 -1.47 -0.00 0.00 -0.00 0.00 0.00 64.86 63.36 3hb9 h ILE 1008Cb 0.40 1.86 -0.05 0.00 -0.00 0.00 0.00 36.82 39.04 3hb9 h ILE 1008CO 0.04 0.38 0.58 0.28 -0.00 0.00 0.00 178.15 179.43 3hb9 h SER 1009N 0.00 1.11 0.30 2.16 0.02 -1.30 0.10 113.55 115.94 3hb9 h SER 1009Ca -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3hb9 h SER 1009Cb 0.83 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3hb9 h SER 1009CO 0.05 0.84 -0.14 0.22 -1.14 0.00 0.00 176.83 176.66 3hb9 h TYR 1010N 1.28 -0.37 -0.89 3.45 3.20 -0.93 -1.89 116.97 120.82 3hb9 h TYR 1010Ca 0.34 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.33 3hb9 h TYR 1010Cb -0.08 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 38.17 3hb9 h TYR 1010CO 0.00 -0.23 -0.35 0.28 -1.64 0.00 0.00 178.16 176.22 3hb9 n VAL 1011N -3.46 -0.47 0.09 1.81 0.31 -0.60 -0.80 118.33 115.21 3hb9 n VAL 1011Ca -0.05 2.08 -0.13 0.00 -0.01 0.00 0.00 64.34 66.23 3hb9 n VAL 1011Cb 0.16 -2.74 -0.08 0.00 -0.91 0.00 0.00 33.84 30.26 3hb9 n VAL 1011CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hb9 h LEU 1012N 0.00 -0.16 -6.47 7.52 3.38 -0.87 -3.37 115.31 115.34 3hb9 h LEU 1012Ca 0.31 -0.13 -0.60 0.00 0.09 0.00 0.00 57.88 57.55 3hb9 h LEU 1012Cb 0.53 0.04 -0.41 0.00 0.09 0.00 0.00 40.66 40.91 3hb9 h LEU 1012CO -0.88 0.03 -0.75 -1.22 0.09 0.00 0.00 178.44 175.71 3hb9 n TYR 1013N -5.10 1.99 0.18 1.13 4.02 -0.30 -4.65 117.16 114.42 3hb9 n TYR 1013Ca -0.09 -3.95 -0.15 0.00 -0.01 0.00 0.00 57.90 53.70 3hb9 n TYR 1013Cb 0.16 -0.40 -0.09 0.00 -0.02 0.00 0.00 39.34 39.00 3hb9 n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hb9 h PRO 1014N 4.78 -0.75 -0.62 -0.72 0.11 -1.14 0.42 132.00 134.07 3hb9 h PRO 1014Ca 0.17 0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.27 3hb9 h PRO 1014Cb 0.77 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3hb9 h PRO 1014CO 0.65 -0.50 0.16 -0.22 -0.21 0.00 0.00 178.00 177.88 3hb9 h LYS 1015N -0.78 0.99 -0.48 1.05 3.64 -1.95 -1.63 116.57 117.42 3hb9 h LYS 1015Ca -0.03 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3hb9 h LYS 1015Cb 0.73 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3hb9 h LYS 1015CO -0.16 0.90 0.07 0.28 -2.27 0.00 0.00 179.45 178.27 3hb9 h VAL 1016N 0.91 1.25 -0.40 2.00 2.07 -1.91 -0.54 116.25 119.63 3hb9 h VAL 1016Ca 0.20 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hb9 h VAL 1016Cb 0.35 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3hb9 h VAL 1016CO 0.00 0.33 0.17 0.22 0.02 0.00 0.00 177.57 178.31 3hb9 h TYR 1017N 0.67 0.60 -0.39 1.57 3.20 -0.05 0.13 116.97 122.69 3hb9 h TYR 1017Ca 0.14 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3hb9 h TYR 1017Cb 0.40 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3hb9 h TYR 1017CO 0.03 0.52 0.20 0.93 -1.64 0.00 0.00 178.16 178.19 3hb9 h GLU 1018N 0.50 0.53 -0.24 1.82 4.39 -1.13 -1.82 114.58 118.65 3hb9 h GLU 1018Ca 0.13 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 3hb9 h GLU 1018Cb 0.16 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hb9 h GLU 1018CO -0.01 0.41 -0.24 1.96 -1.16 0.00 0.00 179.01 179.97 3hb9 h GLN 1019N 0.54 0.58 -0.94 2.33 7.50 -0.77 -2.61 115.11 121.74 3hb9 h GLN 1019Ca 0.14 -0.30 0.15 0.00 0.50 0.00 0.00 58.65 59.13 3hb9 h GLN 1019Cb 0.04 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.49 3hb9 h GLN 1019CO -0.02 0.90 0.54 -0.92 -1.50 0.00 0.00 178.83 177.83 3hb9 h TYR 1020N 0.28 0.97 -0.37 2.96 3.20 -0.41 -1.22 116.97 122.37 3hb9 h TYR 1020Ca 0.04 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3hb9 h TYR 1020Cb 0.79 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3hb9 h TYR 1020CO 0.08 0.28 -0.07 0.82 -1.64 0.00 0.00 178.16 177.63 3hb9 h ILE 1021N 0.78 1.27 -0.66 1.81 1.08 -1.31 0.72 117.51 121.20 3hb9 h ILE 1021Ca 0.50 -1.12 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3hb9 h ILE 1021Cb 0.67 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.63 3hb9 h ILE 1021CO -0.34 0.37 0.43 1.56 -0.69 0.00 0.00 178.15 179.48 3hb9 h GLN 1022N 0.50 0.83 -0.26 2.37 1.08 -0.95 0.16 115.11 118.84 3hb9 h GLN 1022Ca 0.10 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3hb9 h GLN 1022Cb 0.57 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3hb9 h GLN 1022CO 0.03 0.55 -0.12 1.15 -0.95 0.00 0.00 178.83 179.49 3hb9 h THR 1023N 0.85 1.30 -0.76 -0.54 2.02 -1.19 -2.23 112.91 112.36 3hb9 h THR 1023Ca 0.25 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.30 3hb9 h THR 1023Cb -0.05 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3hb9 h THR 1023CO -0.08 0.37 0.50 -0.09 0.37 0.00 0.00 175.52 176.60 3hb9 h ARG 1024N 0.27 0.79 0.00 6.66 2.43 -0.37 0.15 114.38 124.30 3hb9 h ARG 1024Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3hb9 h ARG 1024Cb 0.62 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3hb9 h ARG 1024CO 0.04 0.52 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.66 3hb9 h ASN 1025N 0.81 0.00 0.11 -3.80 -0.26 -0.61 -2.09 115.58 109.74 3hb9 h ASN 1025Ca 0.33 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.80 3hb9 h ASN 1025Cb 0.24 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3hb9 h ASN 1025CO -0.11 0.45 -1.37 -0.61 -1.06 0.00 0.00 177.43 174.73 3hb9 h GLN 1026N 0.00 0.23 0.00 0.81 4.15 -0.56 -3.42 115.11 116.32 3hb9 h GLN 1026Ca -0.00 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.02 3hb9 h GLN 1026Cb 1.10 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3hb9 h GLN 1026CO 0.06 1.19 -0.41 0.66 -1.93 0.00 0.00 178.83 178.40 3hb9 n TYR 1027N -3.95 0.00 -2.52 3.99 0.53 0.40 -4.77 117.16 110.83 3hb9 n TYR 1027Ca -0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.63 3hb9 n TYR 1027Cb 0.88 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 39.18 3hb9 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hb9 n GLY 1028N 1.43 -0.55 3.45 2.72 0.00 -0.79 -3.89 105.19 107.57 3hb9 n GLY 1028Ca 0.00 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 3hb9 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hb9 s ASN 1029N -4.00 6.19 0.34 1.61 3.04 -1.26 -4.52 114.94 116.34 3hb9 s ASN 1029Ca 0.00 -1.04 0.18 0.00 0.04 0.00 0.00 52.86 52.04 3hb9 s ASN 1029Cb 0.00 -2.41 0.47 0.00 -1.54 0.00 0.00 41.25 37.76 3hb9 s ASN 1029CO 0.00 -1.42 1.63 -0.07 -3.04 0.00 0.00 177.10 174.20 3hb9 h LEU 1030N 11.28 0.00 -0.55 3.21 3.38 -1.85 -3.12 115.31 127.65 3hb9 h LEU 1030Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hb9 h LEU 1030Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hb9 h LEU 1030CO 1.18 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 178.58 3hb9 n SER 1031N -3.39 0.27 0.06 -0.43 3.41 -1.26 -1.36 113.62 110.91 3hb9 n SER 1031Ca 0.01 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3hb9 n SER 1031Cb 0.59 -0.65 0.28 0.00 -0.26 0.00 0.00 64.21 64.17 3hb9 n SER 1031CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hb9 n LEU 1032N -1.84 0.64 -4.76 1.04 4.77 -1.18 -4.21 117.00 111.46 3hb9 n LEU 1032Ca 0.00 0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 3hb9 n LEU 1032Cb 0.07 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 3hb9 n LEU 1032CO 0.08 -0.06 0.70 -0.76 -1.33 0.00 0.00 177.39 176.01 3hb9 s LEU 1033N -4.05 4.51 0.51 2.23 1.43 -0.47 -4.33 118.68 118.53 3hb9 s LEU 1033Ca 0.09 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.99 3hb9 s LEU 1033Cb 0.14 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3hb9 s LEU 1033CO 0.67 -0.03 1.24 1.51 0.23 0.00 0.00 176.35 179.97 3hb9 s ASP 1034N -1.22 5.69 0.14 2.29 1.47 -1.26 -4.81 116.67 118.97 3hb9 s ASP 1034Ca 0.45 2.48 -0.18 0.00 1.18 0.00 0.00 52.55 56.49 3hb9 s ASP 1034Cb -0.26 -2.61 -0.00 0.00 -0.34 0.00 0.00 42.92 39.71 3hb9 s ASP 1034CO 0.33 -1.26 1.76 0.74 0.68 0.00 0.00 175.17 177.42 3hb9 h THR 1035N 1.56 0.97 -0.91 2.11 2.02 -1.97 -0.97 112.91 115.72 3hb9 h THR 1035Ca -0.50 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 66.71 3hb9 h THR 1035Cb 1.27 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 68.27 3hb9 h THR 1035CO 0.58 0.05 0.53 -0.65 0.37 0.00 0.00 175.52 176.41 3hb9 h PRO 1036N 0.28 0.79 -0.52 6.66 0.11 -1.93 -1.10 132.00 136.29 3hb9 h PRO 1036Ca 0.12 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 3hb9 h PRO 1036Cb 0.06 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3hb9 h PRO 1036CO -0.10 0.52 -0.10 1.15 -0.21 0.00 0.00 178.00 179.27 3hb9 h THR 1037N 0.81 1.27 -0.82 -1.15 2.02 -1.64 -1.31 112.91 112.08 3hb9 h THR 1037Ca 0.47 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3hb9 h THR 1037Cb 0.55 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3hb9 h THR 1037CO -0.30 0.43 0.53 0.15 0.37 0.00 0.00 175.52 176.71 3hb9 h PHE 1038N 0.86 1.05 0.00 3.16 3.57 0.01 0.37 116.94 125.96 3hb9 h PHE 1038Ca 0.14 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.46 3hb9 h PHE 1038Cb 0.64 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3hb9 h PHE 1038CO 0.04 0.67 -1.53 1.19 -2.23 0.00 0.00 178.31 176.45 3hb9 n PHE 1039N -4.40 0.90 0.00 0.41 0.99 -0.66 -4.67 117.46 110.04 3hb9 n PHE 1039Ca 0.09 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 3hb9 n PHE 1039Cb 0.03 -1.08 0.00 0.00 -1.00 0.00 0.00 39.48 37.43 3hb9 n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hb9 n PHE 1040N -2.88 0.00 -2.21 1.38 3.01 -0.50 -4.33 117.46 111.93 3hb9 n PHE 1040Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3hb9 n PHE 1040Cb 0.88 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.35 3hb9 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 1041N 1.71 1.10 3.08 1.37 0.00 0.11 -4.13 105.19 108.43 3hb9 n GLY 1041Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 3hb9 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hb9 s MET 1042N 0.00 0.58 0.33 1.61 -1.94 -1.26 -4.50 119.30 114.12 3hb9 s MET 1042Ca 0.00 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 3hb9 s MET 1042Cb 0.00 -0.41 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 3hb9 s MET 1042CO 0.00 0.08 0.51 -0.98 -0.01 0.00 0.00 175.02 174.62 3hb9 s ARG 1043N -1.54 3.43 0.13 2.03 1.70 -1.26 -4.88 118.95 118.56 3hb9 s ARG 1043Ca -0.08 -0.46 -0.34 0.00 -0.47 0.00 0.00 55.73 54.38 3hb9 s ARG 1043Cb -0.10 -2.71 -0.13 0.00 -0.57 0.00 0.00 34.95 31.44 3hb9 s ARG 1043CO 0.01 0.18 1.63 0.09 -1.08 0.00 0.00 175.30 176.13 3hb9 n ASN 1044N -1.72 3.24 0.00 -2.89 5.03 -1.26 -1.72 115.26 115.94 3hb9 n ASN 1044Ca -0.05 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.46 3hb9 n ASN 1044Cb 0.57 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 3hb9 n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hb9 n GLY 1045N 3.60 1.21 3.75 7.41 0.00 0.11 -5.03 105.19 116.25 3hb9 n GLY 1045Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hb9 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hb9 s GLU 1046N -0.32 4.72 -0.10 1.61 2.12 -0.70 -4.82 118.70 121.21 3hb9 s GLU 1046Ca 0.00 1.67 -0.01 0.00 0.36 0.00 0.00 54.97 56.99 3hb9 s GLU 1046Cb 0.00 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 3hb9 s GLU 1046CO 0.00 0.32 -0.07 0.99 -0.54 0.00 0.00 175.26 175.96 3hb9 s THR 1047N -1.07 3.67 0.07 -1.70 2.01 -1.26 -1.96 115.64 115.40 3hb9 s THR 1047Ca 0.44 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.00 3hb9 s THR 1047Cb -0.29 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3hb9 s THR 1047CO 0.37 0.56 -0.11 0.54 -0.69 0.00 0.00 174.62 175.28 3hb9 s VAL 1048N -0.29 0.89 -0.06 3.82 0.11 0.16 -4.99 120.40 120.03 3hb9 s VAL 1048Ca 0.04 -1.35 0.04 0.00 -2.93 0.00 0.00 61.98 57.78 3hb9 s VAL 1048Cb -0.13 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 3hb9 s VAL 1048CO 0.02 -0.38 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.61 3hb9 s GLU 1049N -2.04 2.59 -0.26 1.54 2.02 -1.26 -1.50 118.70 119.79 3hb9 s GLU 1049Ca -0.02 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3hb9 s GLU 1049Cb -0.08 -2.30 0.06 0.00 0.10 0.00 0.00 34.13 31.92 3hb9 s GLU 1049CO 0.01 0.48 -0.10 0.42 0.02 0.00 0.00 175.26 176.09 3hb9 s ILE 1050N -0.38 2.10 -0.49 -1.63 -1.09 -0.42 -4.79 121.20 114.49 3hb9 s ILE 1050Ca 0.03 -1.62 -0.27 0.00 -2.23 0.00 0.00 60.65 56.56 3hb9 s ILE 1050Cb -0.12 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 3hb9 s ILE 1050CO 0.02 -0.06 1.78 -0.70 -1.23 0.00 0.00 174.94 174.75 3hb9 s GLU 1051N 1.13 2.99 0.00 2.79 2.56 -1.26 -1.19 118.70 125.72 3hb9 s GLU 1051Ca -0.08 0.92 -0.10 0.00 0.00 0.00 0.00 54.97 55.71 3hb9 s GLU 1051Cb -0.20 -4.28 -0.31 0.00 2.00 0.00 0.00 34.13 31.34 3hb9 s GLU 1051CO -0.05 -2.28 0.87 0.82 -0.56 0.00 0.00 175.26 174.05 3hb9 h ILE 1052N 6.80 1.16 -1.93 -3.70 1.08 -1.00 -3.47 117.51 116.45 3hb9 h ILE 1052Ca -0.29 -2.70 0.37 0.00 -0.39 0.00 0.00 64.86 61.85 3hb9 h ILE 1052Cb 1.16 2.88 -0.08 0.00 -3.07 0.00 0.00 36.82 37.70 3hb9 h ILE 1052CO 1.14 0.84 0.94 -0.62 -0.69 0.00 0.00 178.15 179.76 3hb9 s ASP 1053N -7.31 -0.00 -0.30 1.72 3.68 -0.58 -4.99 116.67 108.89 3hb9 s ASP 1053Ca -0.11 -0.12 -0.37 0.00 2.13 0.00 0.00 52.55 54.08 3hb9 s ASP 1053Cb 0.05 0.09 -0.13 0.00 -1.45 0.00 0.00 42.92 41.49 3hb9 s ASP 1053CO 0.89 -0.18 1.99 0.29 0.13 0.00 0.00 175.17 178.28 3hb9 n LYS 1054N -0.86 1.20 -0.87 4.34 5.02 -1.26 -0.88 118.16 124.86 3hb9 n LYS 1054Ca 0.02 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3hb9 n LYS 1054Cb 0.59 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3hb9 n LYS 1054CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hb9 n GLY 1055N 5.47 0.73 3.13 0.72 0.00 -1.26 -4.98 105.19 109.01 3hb9 n GLY 1055Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 3hb9 n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb9 s LYS 1056N -0.27 2.53 0.04 1.61 1.02 -0.06 -5.10 119.74 119.52 3hb9 s LYS 1056Ca 0.00 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 54.75 3hb9 s LYS 1056Cb 0.00 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3hb9 s LYS 1056CO 0.00 -0.49 0.12 -0.98 -0.92 0.00 0.00 175.35 173.08 3hb9 s ARG 1057N 1.21 0.63 -0.32 1.68 1.70 -1.26 -0.28 118.95 122.32 3hb9 s ARG 1057Ca -0.04 -0.75 -0.10 0.00 -0.47 0.00 0.00 55.73 54.36 3hb9 s ARG 1057Cb -0.18 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 3hb9 s ARG 1057CO -0.05 -0.17 0.17 -0.51 -1.08 0.00 0.00 175.30 173.67 3hb9 s LEU 1058N -2.20 4.21 -0.47 -1.89 1.43 -0.33 -4.91 118.68 114.53 3hb9 s LEU 1058Ca -0.04 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 3hb9 s LEU 1058Cb -0.00 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.23 3hb9 s LEU 1058CO -0.05 -0.20 0.49 -0.63 0.23 0.00 0.00 176.35 176.19 3hb9 s ILE 1059N 1.64 5.07 -0.13 -0.59 1.09 -1.26 -1.30 121.20 125.72 3hb9 s ILE 1059Ca 0.05 -0.67 -0.00 0.00 -1.10 0.00 0.00 60.65 58.93 3hb9 s ILE 1059Cb -0.17 -4.16 -0.02 0.00 -1.06 0.00 0.00 42.46 37.05 3hb9 s ILE 1059CO 0.07 -0.62 -0.13 -0.63 -0.10 0.00 0.00 174.94 173.54 3hb9 s ILE 1060N 2.13 3.09 -0.08 2.92 1.01 -0.56 -1.11 121.20 128.60 3hb9 s ILE 1060Ca 0.10 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3hb9 s ILE 1060Cb -0.20 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3hb9 s ILE 1060CO 0.10 0.52 -0.18 -0.75 0.00 0.00 0.00 174.94 174.63 3hb9 s LYS 1061N 0.36 2.86 -0.41 2.79 2.20 0.42 -0.67 119.74 127.28 3hb9 s LYS 1061Ca -0.11 -0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 54.54 3hb9 s LYS 1061Cb -0.16 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 3hb9 s LYS 1061CO 0.05 0.37 0.53 -1.17 -0.36 0.00 0.00 175.35 174.77 3hb9 s LEU 1062N -0.10 4.61 -0.10 5.43 0.20 -0.83 -0.96 118.68 126.94 3hb9 s LEU 1062Ca -0.03 -0.41 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 3hb9 s LEU 1062Cb -0.14 -2.55 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 3hb9 s LEU 1062CO 0.04 -0.63 -0.03 -0.33 -0.29 0.00 0.00 176.35 175.11 3hb9 h GLU 1063N 8.72 0.00 -2.70 1.98 5.08 -0.91 0.33 114.58 127.07 3hb9 h GLU 1063Ca -0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3hb9 h GLU 1063Cb 1.11 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 3hb9 h GLU 1063CO 0.82 0.00 -0.10 0.99 -1.00 0.00 0.00 179.01 179.73 3hb9 s THR 1064N -1.62 0.04 -0.21 1.13 2.01 -1.20 -4.20 115.64 111.59 3hb9 s THR 1064Ca -0.03 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 3hb9 s THR 1064Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3hb9 s THR 1064CO 0.04 -0.18 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.11 3hb9 s ILE 1065N -1.50 3.30 0.84 1.82 1.01 -1.26 -0.49 121.20 124.93 3hb9 s ILE 1065Ca -0.11 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3hb9 s ILE 1065Cb -0.03 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 40.05 3hb9 s ILE 1065CO 0.05 0.44 1.10 -0.94 0.00 0.00 0.00 174.94 175.59 3hb9 s SER 1066N 1.33 4.04 0.49 3.58 1.04 -0.56 -4.98 113.70 118.65 3hb9 s SER 1066Ca 0.04 1.29 -0.21 0.00 0.48 0.00 0.00 55.95 57.55 3hb9 s SER 1066Cb -0.14 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 63.92 3hb9 s SER 1066CO -0.03 -2.25 1.09 -1.61 0.98 0.00 0.00 173.24 171.42 3hb9 s GLU 1067N -5.12 3.68 0.41 4.02 0.41 -1.26 -4.41 118.70 116.44 3hb9 s GLU 1067Ca 0.62 1.53 -0.25 0.00 -0.41 0.00 0.00 54.97 56.46 3hb9 s GLU 1067Cb -0.15 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 29.95 3hb9 s GLU 1067CO 0.55 -0.56 1.26 -2.14 -0.49 0.00 0.00 175.26 173.88 3hb9 s PRO 1068N -3.08 3.94 0.27 0.39 0.02 -1.26 -4.63 135.00 130.64 3hb9 s PRO 1068Ca 0.68 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 3hb9 s PRO 1068Cb -0.22 -2.70 0.06 0.00 0.02 0.00 0.00 34.50 31.67 3hb9 s PRO 1068CO 0.25 -0.49 0.30 -0.40 -0.33 0.00 0.00 177.00 176.33 3hb9 n ASP 1069N 0.03 -0.60 0.25 2.53 3.85 -0.85 -0.99 116.55 120.77 3hb9 n ASP 1069Ca 0.04 -0.90 0.15 0.00 -0.71 0.00 0.00 54.79 53.38 3hb9 n ASP 1069Cb 0.45 -0.25 0.85 0.00 -1.35 0.00 0.00 41.12 40.82 3hb9 n ASP 1069CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3hb9 h GLU 1070N 0.00 0.00 -0.01 0.11 9.09 -1.84 -0.01 114.58 121.92 3hb9 h GLU 1070Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.31 3hb9 h GLU 1070Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3hb9 h GLU 1070CO 0.07 0.00 -0.24 0.09 0.05 0.00 0.00 179.01 178.98 3hb9 n ASN 1071N -3.92 0.84 -0.06 3.06 5.03 -1.26 -4.92 115.26 114.02 3hb9 n ASN 1071Ca -0.01 -0.74 -0.01 0.00 0.87 0.00 0.00 54.58 54.69 3hb9 n ASN 1071Cb 0.19 0.09 -0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3hb9 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hb9 n GLY 1072N 1.34 0.39 3.61 7.41 0.00 -0.02 -4.88 105.19 113.04 3hb9 n GLY 1072Ca 0.12 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 3hb9 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hb9 s ASN 1073N -2.98 6.27 0.17 1.61 0.01 -1.26 -0.67 114.94 118.08 3hb9 s ASN 1073Ca 0.00 0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 52.33 3hb9 s ASN 1073Cb 0.00 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.38 3hb9 s ASN 1073CO 0.00 -0.18 0.54 -0.13 -1.51 0.00 0.00 177.10 175.82 3hb9 s ARG 1074N 2.05 3.92 -0.33 -0.60 0.52 -0.04 -2.01 118.95 122.47 3hb9 s ARG 1074Ca 0.15 0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 3hb9 s ARG 1074Cb -0.16 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 3hb9 s ARG 1074CO 0.10 0.44 0.20 0.99 0.02 0.00 0.00 175.30 177.05 3hb9 s THR 1075N -1.56 5.00 -0.09 0.02 2.01 -1.26 -1.67 115.64 118.09 3hb9 s THR 1075Ca 0.40 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.88 3hb9 s THR 1075Cb -0.14 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3hb9 s THR 1075CO 0.20 0.03 0.69 -0.63 -0.69 0.00 0.00 174.62 174.21 3hb9 s ILE 1076N 1.68 5.04 -0.31 1.82 -1.09 0.83 -1.49 121.20 127.68 3hb9 s ILE 1076Ca 0.05 1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 59.72 3hb9 s ILE 1076Cb -0.17 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3hb9 s ILE 1076CO 0.09 0.23 0.40 -0.31 -1.23 0.00 0.00 174.94 174.11 3hb9 s TYR 1077N 0.99 3.22 0.29 3.97 1.51 0.36 -1.54 117.35 126.15 3hb9 s TYR 1077Ca 0.36 0.22 0.11 0.00 -1.01 0.00 0.00 57.07 56.75 3hb9 s TYR 1077Cb -0.17 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 3hb9 s TYR 1077CO 0.16 -0.36 -0.14 0.71 -1.11 0.00 0.00 175.55 174.81 3hb9 s TYR 1078N 2.12 2.38 -0.21 2.71 1.51 0.26 -0.18 117.35 125.94 3hb9 s TYR 1078Ca 0.15 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3hb9 s TYR 1078Cb -0.16 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.63 3hb9 s TYR 1078CO 0.11 0.67 -0.02 0.00 -1.11 0.00 0.00 175.55 175.20 3hb9 s ALA 1079N -2.50 1.48 -0.20 3.71 0.00 -0.14 -1.11 121.76 123.00 3hb9 s ALA 1079Ca 0.31 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3hb9 s ALA 1079Cb -0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3hb9 s ALA 1079CO 0.16 -1.11 -0.06 -1.64 0.00 0.00 0.00 175.76 173.11 3hb9 s MET 1080N 1.63 3.40 -1.54 0.00 -1.94 -0.44 -0.44 119.30 119.97 3hb9 s MET 1080Ca -0.03 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 3hb9 s MET 1080Cb -0.17 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.76 3hb9 s MET 1080CO -0.07 -0.08 0.11 0.09 -0.01 0.00 0.00 175.02 175.06 3hb9 n ASN 1081N 4.44 0.56 -0.22 3.03 4.13 -0.27 -0.05 115.26 126.87 3hb9 n ASN 1081Ca -0.18 -1.23 -0.03 0.00 1.68 0.00 0.00 54.58 54.82 3hb9 n ASN 1081Cb 0.51 -1.85 -0.01 0.00 -1.54 0.00 0.00 39.78 36.89 3hb9 n ASN 1081CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb9 n GLY 1082N -2.40 0.58 3.24 7.41 0.00 -1.26 -5.01 105.19 107.75 3hb9 n GLY 1082Ca -0.30 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3hb9 n GLY 1082CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hb9 s GLN 1083N -1.47 3.15 0.41 1.61 -0.21 0.92 -5.11 119.66 118.95 3hb9 s GLN 1083Ca 0.00 -0.80 -0.27 0.00 0.02 0.00 0.00 55.36 54.31 3hb9 s GLN 1083Cb 0.00 -2.49 -0.10 0.00 1.00 0.00 0.00 33.01 31.42 3hb9 s GLN 1083CO 0.00 0.08 1.40 0.00 -2.12 0.00 0.00 175.29 174.65 3hb9 n ALA 1084N 3.84 1.91 -3.46 6.09 0.00 -1.26 -1.33 120.51 126.29 3hb9 n ALA 1084Ca -0.19 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 3hb9 n ALA 1084Cb 0.52 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.52 3hb9 n ALA 1084CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hb9 s ARG 1085N -2.20 0.57 -0.07 0.00 6.06 -0.27 -4.86 118.95 118.17 3hb9 s ARG 1085Ca 0.58 0.75 0.02 0.00 -2.50 0.00 0.00 55.73 54.58 3hb9 s ARG 1085Cb -0.49 0.23 0.01 0.00 0.06 0.00 0.00 34.95 34.76 3hb9 s ARG 1085CO 0.60 -0.09 -0.14 1.03 -2.50 0.00 0.00 175.30 174.21 3hb9 s ARG 1086N 0.54 1.89 -0.01 5.12 0.52 -1.26 0.90 118.95 126.64 3hb9 s ARG 1086Ca -0.02 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.76 3hb9 s ARG 1086Cb -0.04 -1.53 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 3hb9 s ARG 1086CO -0.03 0.05 -0.15 0.42 0.02 0.00 0.00 175.30 175.61 3hb9 s ILE 1087N 0.62 1.22 -0.21 1.52 -1.09 -0.59 -4.94 121.20 117.73 3hb9 s ILE 1087Ca -0.15 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 3hb9 s ILE 1087Cb -0.16 -1.02 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 3hb9 s ILE 1087CO 0.04 0.35 0.02 -0.31 -1.23 0.00 0.00 174.94 173.81 3hb9 s TYR 1088N -0.32 3.08 -0.07 3.97 1.51 -1.26 -0.12 117.35 124.14 3hb9 s TYR 1088Ca 0.05 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3hb9 s TYR 1088Cb -0.06 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 3hb9 s TYR 1088CO -0.00 -0.20 -0.18 0.42 -1.11 0.00 0.00 175.55 174.47 3hb9 s ILE 1089N 1.03 1.55 -0.03 2.71 -1.09 -0.67 -4.98 121.20 119.72 3hb9 s ILE 1089Ca 0.03 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.41 3hb9 s ILE 1089Cb -0.14 -1.36 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 3hb9 s ILE 1089CO 0.02 0.44 1.21 -0.75 -1.23 0.00 0.00 174.94 174.64 3hb9 s LYS 1090N 0.37 4.36 -0.14 2.79 2.47 -1.26 -0.86 119.74 127.48 3hb9 s LYS 1090Ca -0.13 1.70 -0.21 0.00 -1.56 0.00 0.00 55.97 55.77 3hb9 s LYS 1090Cb -0.15 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.66 3hb9 s LYS 1090CO 0.05 -0.42 0.64 0.34 0.16 0.00 0.00 175.35 176.12 3hb9 s ASP 1091N 1.44 6.80 -1.13 1.43 -1.08 0.15 -4.93 116.67 119.35 3hb9 s ASP 1091Ca 0.57 0.97 -0.19 0.00 -0.52 0.00 0.00 52.55 53.37 3hb9 s ASP 1091Cb -0.26 -2.36 0.09 0.00 -1.46 0.00 0.00 42.92 38.93 3hb9 s ASP 1091CO 0.23 -0.18 1.50 -1.61 0.52 0.00 0.00 175.17 175.63 3hb9 s GLU 1092N 1.33 3.80 0.00 4.34 8.01 -1.26 -4.90 118.70 130.01 3hb9 s GLU 1092Ca 0.32 -1.72 0.00 0.00 0.01 0.00 0.00 54.97 53.58 3hb9 s GLU 1092Cb -0.16 -5.31 0.00 0.00 -4.31 0.00 0.00 34.13 24.35 3hb9 s GLU 1092CO 0.13 -2.10 0.16 0.09 0.01 0.00 0.00 175.26 173.55 3hb9 n ASN 1093N 7.91 0.00 0.00 -0.19 3.02 -1.26 -5.02 115.26 119.72 3hb9 n ASN 1093Ca 0.38 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 3hb9 n ASN 1093Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3hb9 n ASN 1093CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hb9 n VAL 1094N -0.21 0.00 -4.97 2.41 0.31 -1.26 -5.04 118.33 109.57 3hb9 n VAL 1094Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 3hb9 n VAL 1094Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 3hb9 n VAL 1094CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3hb9 s HIS 1095N 0.00 2.04 -0.15 3.52 0.09 -1.26 -5.05 115.29 114.48 3hb9 s HIS 1095Ca 0.00 -0.72 -0.02 0.00 -0.00 0.00 0.00 55.06 54.32 3hb9 s HIS 1095Cb 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 32.58 31.20 3hb9 s HIS 1095CO 0.00 -0.28 2.49 0.25 -0.00 0.00 0.00 174.74 177.20 3hb9 n THR 1096N 3.39 2.63 1.37 1.30 -2.24 -1.26 -4.31 114.28 115.16 3hb9 n THR 1096Ca -0.19 -1.40 0.11 0.00 -2.27 0.00 0.00 64.05 60.29 3hb9 n THR 1096Cb 0.52 -1.58 0.43 0.00 -2.10 0.00 0.00 70.33 67.60 3hb9 n THR 1096CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3hb9 n ASN 1097N 1.33 1.42 -0.29 3.42 2.04 -1.26 -3.57 115.26 118.34 3hb9 n ASN 1097Ca 0.25 -1.63 0.11 0.00 -0.44 0.00 0.00 54.58 52.87 3hb9 n ASN 1097Cb 0.62 -0.07 -0.01 0.00 -2.53 0.00 0.00 39.78 37.79 3hb9 n ASN 1097CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hb9 n ALA 1098N 0.15 3.96 -2.33 -2.53 0.00 -1.26 -4.83 120.51 113.67 3hb9 n ALA 1098Ca 0.17 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3hb9 n ALA 1098Cb 0.30 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3hb9 n ALA 1098CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hb9 s ASN 1099N -2.68 7.01 -0.33 0.00 0.02 -1.23 -4.39 114.94 113.34 3hb9 s ASN 1099Ca 0.15 2.12 -0.12 0.00 -1.02 0.00 0.00 52.86 53.98 3hb9 s ASN 1099Cb 0.17 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.84 3hb9 s ASN 1099CO 0.68 -0.52 0.22 -0.69 0.02 0.00 0.00 177.10 176.81 3hb9 s VAL 1100N 1.01 5.22 0.11 1.60 1.01 -0.16 -4.87 120.40 124.33 3hb9 s VAL 1100Ca 0.60 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 3hb9 s VAL 1100Cb -0.32 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3hb9 s VAL 1100CO 0.30 0.05 0.62 -0.54 0.00 0.00 0.00 175.10 175.52 3hb9 s LYS 1101N 1.72 4.24 0.53 2.72 -0.14 -1.26 -2.64 119.74 124.90 3hb9 s LYS 1101Ca 0.06 0.79 -0.21 0.00 -1.36 0.00 0.00 55.97 55.25 3hb9 s LYS 1101Cb -0.17 -3.16 -0.06 0.00 -1.68 0.00 0.00 37.83 32.76 3hb9 s LYS 1101CO 0.10 0.58 1.20 -1.25 -0.76 0.00 0.00 175.35 175.22 3hb9 s PRO 1102N -1.32 3.36 0.36 -1.68 0.04 -1.26 -4.79 135.00 129.71 3hb9 s PRO 1102Ca 0.33 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 3hb9 s PRO 1102Cb -0.19 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3hb9 s PRO 1102CO 0.20 -0.89 1.15 0.15 0.04 0.00 0.00 177.00 177.65 3hb9 s LYS 1103N -3.02 4.24 0.50 4.56 -0.14 -1.26 -1.42 119.74 123.20 3hb9 s LYS 1103Ca 0.70 1.81 -0.21 0.00 -1.36 0.00 0.00 55.97 56.92 3hb9 s LYS 1103Cb -0.30 -2.81 -0.07 0.00 -1.68 0.00 0.00 37.83 32.96 3hb9 s LYS 1103CO 0.35 -0.15 1.11 0.00 -0.76 0.00 0.00 175.35 175.90 3hb9 s ALA 1104N -1.37 2.82 -0.40 5.17 0.00 -0.25 -4.64 121.76 123.09 3hb9 s ALA 1104Ca 0.53 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 53.05 3hb9 s ALA 1104Cb -0.30 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3hb9 s ALA 1104CO 0.39 -0.61 0.85 0.34 0.00 0.00 0.00 175.76 176.73 3hb9 s ASP 1105N -1.71 6.55 0.53 0.00 2.15 -1.26 -4.93 116.67 117.99 3hb9 s ASP 1105Ca 0.69 0.27 0.32 0.00 0.43 0.00 0.00 52.55 54.26 3hb9 s ASP 1105Cb -0.23 -2.42 1.23 0.00 -0.30 0.00 0.00 42.92 41.19 3hb9 s ASP 1105CO 0.27 -0.87 1.93 0.11 -0.17 0.00 0.00 175.17 176.44 3hb9 h LYS 1106N 8.71 0.00 0.00 4.34 1.57 -1.94 -2.63 116.57 126.62 3hb9 h LYS 1106Ca -0.24 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3hb9 h LYS 1106Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3hb9 h LYS 1106CO 0.97 0.00 -0.80 0.66 -0.57 0.00 0.00 179.45 179.71 3hb9 h SER 1107N 0.00 0.00 -3.24 0.86 4.64 -1.97 -3.44 113.55 110.40 3hb9 h SER 1107Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3hb9 h SER 1107Cb 0.57 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 3hb9 h SER 1107CO 0.00 0.23 0.84 0.21 -0.87 0.00 0.00 176.83 177.25 3hb9 s ASN 1108N -5.84 6.96 0.52 4.97 3.84 -0.99 -4.93 114.94 119.46 3hb9 s ASN 1108Ca 0.01 1.15 0.31 0.00 0.21 0.00 0.00 52.86 54.54 3hb9 s ASN 1108Cb 0.08 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 39.43 3hb9 s ASN 1108CO 0.76 -0.84 1.92 1.55 -2.79 0.00 0.00 177.10 177.70 3hb9 h PRO 1109N 8.02 0.00 -0.00 0.43 0.13 -1.86 -2.84 132.00 135.87 3hb9 h PRO 1109Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 3hb9 h PRO 1109Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3hb9 h PRO 1109CO 1.02 0.03 -0.39 0.77 -0.23 0.00 0.00 178.00 179.21 3hb9 h SER 1110N 0.00 0.01 -3.28 1.44 0.02 -1.91 -3.44 113.55 106.39 3hb9 h SER 1110Ca -0.00 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 3hb9 h SER 1110Cb 0.60 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3hb9 h SER 1110CO 0.00 0.39 0.45 -1.00 -1.14 0.00 0.00 176.83 175.54 3hb9 s HIS 1111N -4.16 3.44 -0.25 3.45 3.76 -1.08 -1.77 115.29 118.68 3hb9 s HIS 1111Ca -0.03 1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 56.14 3hb9 s HIS 1111Cb 0.14 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 3hb9 s HIS 1111CO 0.73 -0.24 0.14 0.42 -0.85 0.00 0.00 174.74 174.94 3hb9 s ILE 1112N 2.16 5.08 0.15 0.60 1.01 -0.21 -4.93 121.20 125.06 3hb9 s ILE 1112Ca 0.41 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.20 3hb9 s ILE 1112Cb -0.17 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3hb9 s ILE 1112CO 0.13 0.32 0.11 -0.83 0.00 0.00 0.00 174.94 174.68 3hb9 s GLY 1113N 1.32 1.76 -0.00 6.18 0.00 -1.26 -1.26 107.32 114.06 3hb9 s GLY 1113Ca 0.07 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 3hb9 s GLY 1113CO 0.06 -1.21 1.43 0.00 0.00 0.00 0.00 173.10 173.37 3hb9 s ALA 1114N -1.69 3.59 0.17 3.20 0.00 0.34 -4.89 121.76 122.48 3hb9 s ALA 1114Ca 0.30 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 3hb9 s ALA 1114Cb -0.10 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.44 3hb9 s ALA 1114CO 0.23 -0.96 1.58 1.96 0.00 0.00 0.00 175.76 178.57 3hb9 h GLN 1115N 7.95 1.04 -3.25 0.00 7.50 -1.91 -0.18 115.11 126.26 3hb9 h GLN 1115Ca -0.38 -0.40 0.02 0.00 0.50 0.00 0.00 58.65 58.39 3hb9 h GLN 1115Cb 1.18 -0.06 -0.06 0.00 0.05 0.00 0.00 27.48 28.58 3hb9 h GLN 1115CO 0.91 1.09 0.10 0.00 -1.50 0.00 0.00 178.83 179.43 3hb9 s MET 1116N -4.81 1.71 0.42 1.46 0.23 -1.26 -4.77 119.30 112.28 3hb9 s MET 1116Ca -0.12 -1.10 -0.25 0.00 -1.03 0.00 0.00 55.69 53.19 3hb9 s MET 1116Cb 0.13 0.56 -0.08 0.00 -1.53 0.00 0.00 34.83 33.90 3hb9 s MET 1116CO 0.87 -0.76 1.28 -2.14 -2.03 0.00 0.00 175.02 172.24 3hb9 s PRO 1117N -3.92 3.90 0.00 3.16 0.02 -1.26 -4.52 135.00 132.39 3hb9 s PRO 1117Ca 0.16 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3hb9 s PRO 1117Cb -0.04 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.80 3hb9 s PRO 1117CO 0.08 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3hb9 n GLY 1118N 0.65 1.47 3.10 0.52 0.00 -0.87 -4.62 105.19 105.44 3hb9 n GLY 1118Ca 0.05 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 3hb9 n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hb9 s SER 1119N 2.00 1.45 -0.16 1.61 0.01 -0.27 -0.98 113.70 117.36 3hb9 s SER 1119Ca 0.00 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 3hb9 s SER 1119Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3hb9 s SER 1119CO 0.00 0.06 1.20 -0.69 0.41 0.00 0.00 173.24 174.22 3hb9 s VAL 1120N -0.64 4.37 -0.19 3.43 1.01 0.34 -0.48 120.40 128.24 3hb9 s VAL 1120Ca 0.02 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.49 3hb9 s VAL 1120Cb -0.06 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 3hb9 s VAL 1120CO 0.00 -0.13 0.06 0.41 0.00 0.00 0.00 175.10 175.45 3hb9 n THR 1121N 5.25 1.50 -3.71 3.92 -1.04 0.97 -0.13 114.28 121.04 3hb9 n THR 1121Ca 0.13 0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 62.02 3hb9 n THR 1121Cb 0.45 -2.14 -0.15 0.00 -1.82 0.00 0.00 70.33 66.67 3hb9 n THR 1121CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hb9 s GLU 1122N -2.34 0.07 -0.15 -2.82 2.12 -0.58 -4.61 118.70 110.38 3hb9 s GLU 1122Ca -0.25 0.47 -0.20 0.00 0.36 0.00 0.00 54.97 55.36 3hb9 s GLU 1122Cb 0.05 -0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.19 3hb9 s GLU 1122CO 0.47 -0.23 0.55 0.54 -0.54 0.00 0.00 175.26 176.06 3hb9 s VAL 1123N 1.71 5.11 -0.11 3.70 0.11 -1.26 0.08 120.40 129.73 3hb9 s VAL 1123Ca -0.03 1.08 0.15 0.00 -2.93 0.00 0.00 61.98 60.24 3hb9 s VAL 1123Cb -0.12 -3.88 -0.22 0.00 -1.53 0.00 0.00 36.38 30.63 3hb9 s VAL 1123CO -0.06 0.22 0.37 0.29 -3.33 0.00 0.00 175.10 172.59 3hb9 n LYS 1124N 4.31 0.69 -4.42 1.54 5.02 -1.22 -4.99 118.16 119.10 3hb9 n LYS 1124Ca -0.04 -0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 55.92 3hb9 n LYS 1124Cb 0.51 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 3hb9 n LYS 1124CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hb9 s VAL 1125N -2.94 1.78 0.41 -0.18 -7.23 -1.25 -4.98 120.40 106.01 3hb9 s VAL 1125Ca -0.04 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 57.99 3hb9 s VAL 1125Cb 0.10 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3hb9 s VAL 1125CO 0.62 -0.37 0.07 -0.55 -0.31 0.00 0.00 175.10 174.56 3hb9 s SER 1126N -3.43 3.08 0.03 4.85 0.15 -1.26 -5.02 113.70 112.10 3hb9 s SER 1126Ca 0.28 -1.57 -0.30 0.00 0.70 0.00 0.00 55.95 55.05 3hb9 s SER 1126Cb 0.02 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 3hb9 s SER 1126CO 0.11 -0.79 1.42 -0.69 1.20 0.00 0.00 173.24 174.49 3hb9 s VAL 1127N -3.12 3.57 0.00 4.45 1.01 -1.26 -3.59 120.40 121.46 3hb9 s VAL 1127Ca 0.24 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3hb9 s VAL 1127Cb 0.04 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3hb9 s VAL 1127CO 0.12 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3hb9 n GLY 1128N 3.63 1.02 3.03 4.51 0.00 -0.25 -5.02 105.19 112.13 3hb9 n GLY 1128Ca 0.13 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3hb9 n GLY 1128CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hb9 s GLU 1129N -2.25 2.11 0.10 1.61 2.12 -1.24 -4.92 118.70 116.23 3hb9 s GLU 1129Ca 0.00 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 3hb9 s GLU 1129Cb 0.00 -1.83 -0.06 0.00 0.26 0.00 0.00 34.13 32.50 3hb9 s GLU 1129CO 0.00 -0.09 1.15 0.99 -0.54 0.00 0.00 175.26 176.77 3hb9 s THR 1130N 1.08 4.01 0.06 -1.70 2.01 -1.26 -2.83 115.64 117.00 3hb9 s THR 1130Ca -0.05 1.54 0.05 0.00 0.31 0.00 0.00 61.69 63.54 3hb9 s THR 1130Cb -0.15 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3hb9 s THR 1130CO -0.03 0.17 -0.14 0.68 -0.69 0.00 0.00 174.62 174.61 3hb9 s VAL 1131N 0.59 1.13 0.68 3.82 -7.23 -0.23 -5.01 120.40 114.15 3hb9 s VAL 1131Ca 0.55 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 3hb9 s VAL 1131Cb -0.29 -1.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 3hb9 s VAL 1131CO 0.31 -0.10 1.07 -0.54 -0.31 0.00 0.00 175.10 175.53 3hb9 s LYS 1132N -1.44 3.05 0.30 4.82 3.01 -1.26 -2.52 119.74 125.70 3hb9 s LYS 1132Ca 0.00 0.59 -0.29 0.00 -1.01 0.00 0.00 55.97 55.26 3hb9 s LYS 1132Cb -0.09 -2.03 -0.10 0.00 -1.01 0.00 0.00 37.83 34.60 3hb9 s LYS 1132CO 0.02 -0.92 1.35 0.00 0.51 0.00 0.00 175.35 176.30 3hb9 s ALA 1133N -3.27 3.54 0.00 5.17 0.00 -1.25 -2.75 121.76 123.20 3hb9 s ALA 1133Ca 0.57 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3hb9 s ALA 1133Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hb9 s ALA 1133CO 0.53 -0.67 0.00 0.09 0.00 0.00 0.00 175.76 175.70 3hb9 n ASN 1134N 1.34 -0.97 -4.67 0.00 3.02 0.43 -4.97 115.26 109.44 3hb9 n ASN 1134Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 3hb9 n ASN 1134Cb 0.41 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3hb9 n ASN 1134CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hb9 s GLN 1135N -0.13 4.28 0.16 3.52 0.74 -1.11 -4.65 119.66 122.47 3hb9 s GLN 1135Ca 0.00 1.76 -0.32 0.00 0.05 0.00 0.00 55.36 56.85 3hb9 s GLN 1135Cb 0.00 -3.68 -0.12 0.00 1.10 0.00 0.00 33.01 30.31 3hb9 s GLN 1135CO 0.00 -0.61 1.77 -0.35 -0.55 0.00 0.00 175.29 175.55 3hb9 n PRO 1136N 5.96 2.71 0.00 1.67 -0.04 -1.26 -1.40 135.00 142.64 3hb9 n PRO 1136Ca 0.13 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 3hb9 n PRO 1136Cb 0.45 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 3hb9 n PRO 1136CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3hb9 n LEU 1137N 4.73 0.59 -3.52 1.53 -0.00 0.16 -4.82 117.00 115.66 3hb9 n LEU 1137Ca 0.17 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.60 3hb9 n LEU 1137Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.72 3hb9 n LEU 1137CO 0.65 0.15 0.73 -0.22 -0.00 0.00 0.00 177.39 178.70 3hb9 s LEU 1138N -0.21 -0.41 -0.24 1.47 2.96 -1.14 -3.37 118.68 117.75 3hb9 s LEU 1138Ca 0.00 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 3hb9 s LEU 1138Cb 0.00 1.54 -0.02 0.00 0.50 0.00 0.00 46.19 48.21 3hb9 s LEU 1138CO 0.00 -0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.32 3hb9 s ILE 1139N 1.71 3.77 0.13 6.68 1.01 0.11 0.87 121.20 135.48 3hb9 s ILE 1139Ca -0.06 -0.38 0.11 0.00 0.00 0.00 0.00 60.65 60.32 3hb9 s ILE 1139Cb -0.04 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3hb9 s ILE 1139CO -0.15 0.37 -0.27 0.42 0.00 0.00 0.00 174.94 175.32 3hb9 s THR 1140N 1.53 2.24 -0.15 2.92 -4.23 -1.18 -0.02 115.64 116.75 3hb9 s THR 1140Ca 0.06 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3hb9 s THR 1140Cb -0.15 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 3hb9 s THR 1140CO -0.00 0.10 -0.05 -0.70 -0.54 0.00 0.00 174.62 173.43 3hb9 s GLU 1141N -2.02 3.64 0.00 3.99 2.12 0.37 -1.31 118.70 125.49 3hb9 s GLU 1141Ca 0.14 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.93 3hb9 s GLU 1141Cb -0.10 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.40 3hb9 s GLU 1141CO 0.06 0.25 0.00 0.00 -0.54 0.00 0.00 175.26 175.03 3hb9 n ALA 1142N 3.51 0.00 -3.31 6.30 0.00 0.37 -1.12 120.51 126.26 3hb9 n ALA 1142Ca -0.17 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 3hb9 n ALA 1142Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 3hb9 n ALA 1142CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hb9 n MET 1143N -1.32 1.11 -1.37 0.00 2.81 -1.26 -4.74 117.12 112.35 3hb9 n MET 1143Ca 0.00 -3.61 -0.13 0.00 -1.81 0.00 0.00 57.70 52.15 3hb9 n MET 1143Cb 0.00 -1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 30.89 3hb9 n MET 1143CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hb9 n LYS 1144N 1.51 -0.99 -4.57 0.03 5.02 -1.26 -5.00 118.16 112.90 3hb9 n LYS 1144Ca 0.24 0.94 -0.28 0.00 -2.02 0.00 0.00 58.31 57.20 3hb9 n LYS 1144Cb 0.49 -5.02 -0.17 0.00 -0.02 0.00 0.00 35.03 30.31 3hb9 n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hb9 s MET 1145N -3.04 2.14 -0.07 1.97 -1.94 -1.26 -5.13 119.30 111.96 3hb9 s MET 1145Ca 0.00 -0.54 -0.16 0.00 -1.71 0.00 0.00 55.69 53.28 3hb9 s MET 1145Cb 0.00 -1.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.01 3hb9 s MET 1145CO 0.00 -0.02 0.41 -1.21 -0.01 0.00 0.00 175.02 174.20 3hb9 s GLU 1146N 0.84 4.13 -0.17 2.03 2.02 -1.26 -0.48 118.70 125.82 3hb9 s GLU 1146Ca -0.10 0.37 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 3hb9 s GLU 1146Cb -0.15 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.80 3hb9 s GLU 1146CO 0.01 0.42 0.07 0.95 0.02 0.00 0.00 175.26 176.73 3hb9 s THR 1147N -0.18 0.06 0.35 3.63 -4.23 -0.43 -5.00 115.64 109.84 3hb9 s THR 1147Ca 0.23 -0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 3hb9 s THR 1147Cb -0.15 -0.67 -0.09 0.00 1.34 0.00 0.00 72.50 72.93 3hb9 s THR 1147CO 0.11 -0.24 1.06 0.42 -0.54 0.00 0.00 174.62 175.42 3hb9 s THR 1148N 2.07 3.67 -0.18 3.99 -4.23 -1.26 -3.07 115.64 116.62 3hb9 s THR 1148Ca 0.01 1.44 -0.08 0.00 -1.18 0.00 0.00 61.69 61.88 3hb9 s THR 1148Cb -0.16 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 3hb9 s THR 1148CO -0.08 0.16 0.09 -0.63 -0.54 0.00 0.00 174.62 173.62 3hb9 s ILE 1149N -1.45 5.01 0.21 2.99 1.01 0.25 -4.98 121.20 124.24 3hb9 s ILE 1149Ca 0.52 0.04 0.11 0.00 0.00 0.00 0.00 60.65 61.32 3hb9 s ILE 1149Cb -0.26 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 3hb9 s ILE 1149CO 0.33 0.47 -0.22 0.00 0.00 0.00 0.00 174.94 175.52 3hb9 s GLN 1150N 0.21 1.50 0.22 2.79 -2.07 -1.26 -0.66 119.66 120.39 3hb9 s GLN 1150Ca 0.06 -1.56 -0.30 0.00 -1.82 0.00 0.00 55.36 51.73 3hb9 s GLN 1150Cb -0.12 -1.70 -0.10 0.00 -1.09 0.00 0.00 33.01 30.00 3hb9 s GLN 1150CO -0.00 0.35 1.45 0.00 -1.32 0.00 0.00 175.29 175.77 3hb9 s ALA 1151N -1.97 3.65 -0.10 2.60 0.00 -0.49 -4.87 121.76 120.58 3hb9 s ALA 1151Ca 0.22 1.31 0.23 0.00 0.00 0.00 0.00 51.96 53.72 3hb9 s ALA 1151Cb -0.07 -3.56 0.65 0.00 0.00 0.00 0.00 23.12 20.14 3hb9 s ALA 1151CO 0.10 -0.73 1.71 -1.00 0.00 0.00 0.00 175.76 175.85 3hb9 h PRO 1152N 5.53 0.00 0.00 0.00 0.13 -1.93 0.12 132.00 135.86 3hb9 h PRO 1152Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 3hb9 h PRO 1152Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3hb9 h PRO 1152CO 0.81 0.18 0.06 1.97 -0.23 0.00 0.00 178.00 180.79 3hb9 n PHE 1153N -3.22 -1.87 -2.58 1.56 1.16 -1.26 -4.73 117.46 106.52 3hb9 n PHE 1153Ca 0.02 -2.01 -0.41 0.00 -1.87 0.00 0.00 57.45 53.18 3hb9 n PHE 1153Cb 0.50 0.71 -0.04 0.00 -1.61 0.00 0.00 39.48 39.04 3hb9 n PHE 1153CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3hb9 s ASP 1154N -3.02 7.32 0.00 5.98 1.01 -1.26 -3.77 116.67 122.93 3hb9 s ASP 1154Ca 0.21 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.44 3hb9 s ASP 1154Cb -0.03 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3hb9 s ASP 1154CO 0.16 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.94 3hb9 n GLY 1155N 2.28 -1.39 3.44 0.21 0.00 -1.05 -4.84 105.19 103.85 3hb9 n GLY 1155Ca 0.03 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3hb9 n GLY 1155CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hb9 s VAL 1156N -2.47 2.81 -0.12 1.61 -7.23 -1.26 -1.07 120.40 112.67 3hb9 s VAL 1156Ca 0.00 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 3hb9 s VAL 1156Cb 0.00 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 3hb9 s VAL 1156CO 0.00 0.49 1.27 -0.63 -0.31 0.00 0.00 175.10 175.91 3hb9 s ILE 1157N -0.79 4.21 -0.11 -0.62 1.09 -1.13 -1.89 121.20 121.96 3hb9 s ILE 1157Ca 0.13 1.50 -0.04 0.00 -1.10 0.00 0.00 60.65 61.13 3hb9 s ILE 1157Cb -0.10 -3.97 -0.26 0.00 -1.06 0.00 0.00 42.46 37.07 3hb9 s ILE 1157CO 0.02 -0.08 0.42 1.17 -0.10 0.00 0.00 174.94 176.37 3hb9 n LYS 1158N 6.10 0.74 -3.71 2.79 3.00 0.40 -1.09 118.16 126.40 3hb9 n LYS 1158Ca 0.13 0.27 -0.14 0.00 -0.00 0.00 0.00 58.31 58.57 3hb9 n LYS 1158Cb 0.45 -1.72 -0.09 0.00 0.00 0.00 0.00 35.03 33.67 3hb9 n LYS 1158CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3hb9 s GLN 1159N -2.56 0.66 -0.22 1.64 -2.07 -1.25 -4.83 119.66 111.02 3hb9 s GLN 1159Ca -0.20 0.19 0.01 0.00 -1.82 0.00 0.00 55.36 53.54 3hb9 s GLN 1159Cb 0.07 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 32.35 3hb9 s GLN 1159CO 0.78 -0.16 -0.07 0.08 -1.32 0.00 0.00 175.29 174.60 3hb9 s VAL 1160N -0.70 1.59 -1.77 3.63 1.01 -1.26 -2.36 120.40 120.55 3hb9 s VAL 1160Ca -0.08 -1.15 0.28 0.00 0.00 0.00 0.00 61.98 61.03 3hb9 s VAL 1160Cb -0.04 -1.78 0.43 0.00 0.00 0.00 0.00 36.38 34.99 3hb9 s VAL 1160CO 0.04 0.00 1.77 0.35 0.00 0.00 0.00 175.10 177.27 3hb9 n THR 1161N 4.67 0.00 -4.37 3.92 -2.24 -1.07 -4.90 114.28 110.29 3hb9 n THR 1161Ca -0.13 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 3hb9 n THR 1161Cb 0.45 0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 3hb9 n THR 1161CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hb9 s VAL 1162N -2.42 1.69 0.45 2.28 -7.23 -1.26 -4.83 120.40 109.08 3hb9 s VAL 1162Ca 0.29 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3hb9 s VAL 1162Cb 0.20 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 3hb9 s VAL 1162CO 0.47 0.00 0.01 0.20 -0.31 0.00 0.00 175.10 175.48 3hb9 s ASN 1163N -1.73 3.86 0.20 4.85 0.01 -1.26 -4.97 114.94 115.90 3hb9 s ASN 1163Ca 0.07 -1.50 -0.33 0.00 -0.71 0.00 0.00 52.86 50.39 3hb9 s ASN 1163Cb -0.10 0.03 -0.13 0.00 0.41 0.00 0.00 41.25 41.46 3hb9 s ASN 1163CO 0.04 -0.64 1.66 0.59 -1.51 0.00 0.00 177.10 177.24 3hb9 n ASN 1164N -1.09 3.67 0.00 -1.22 4.13 -1.26 -2.65 115.26 116.84 3hb9 n ASN 1164Ca -0.11 1.07 0.00 0.00 1.68 0.00 0.00 54.58 57.23 3hb9 n ASN 1164Cb 0.67 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.38 3hb9 n ASN 1164CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hb9 n GLY 1165N 3.66 0.74 3.79 7.41 0.00 0.81 -4.99 105.19 116.61 3hb9 n GLY 1165Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3hb9 n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hb9 s ASP 1166N -2.83 7.31 0.23 1.61 1.11 -1.09 -4.73 116.67 118.28 3hb9 s ASP 1166Ca 0.00 1.70 -0.28 0.00 0.18 0.00 0.00 52.55 54.16 3hb9 s ASP 1166Cb 0.00 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.38 3hb9 s ASP 1166CO 0.00 0.04 0.89 -0.89 1.18 0.00 0.00 175.17 176.38 3hb9 s THR 1167N -1.45 4.19 0.07 -1.27 2.01 -1.26 -0.50 115.64 117.42 3hb9 s THR 1167Ca 0.45 1.92 0.07 0.00 0.31 0.00 0.00 61.69 64.43 3hb9 s THR 1167Cb -0.20 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 3hb9 s THR 1167CO 0.24 0.45 -0.18 0.27 -0.69 0.00 0.00 174.62 174.72 3hb9 s ILE 1168N -1.24 1.47 0.18 1.82 -4.36 -0.15 -4.94 121.20 113.99 3hb9 s ILE 1168Ca 0.41 -1.28 0.11 0.00 -0.26 0.00 0.00 60.65 59.62 3hb9 s ILE 1168Cb -0.24 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 3hb9 s ILE 1168CO 0.29 0.01 -0.23 0.00 0.24 0.00 0.00 174.94 175.24 3hb9 s ALA 1169N -1.00 2.54 -0.25 2.27 0.00 -1.26 -2.05 121.76 122.01 3hb9 s ALA 1169Ca 0.04 -1.59 -0.38 0.00 0.00 0.00 0.00 51.96 50.03 3hb9 s ALA 1169Cb -0.09 -0.38 -0.14 0.00 0.00 0.00 0.00 23.12 22.51 3hb9 s ALA 1169CO 0.03 0.46 1.86 2.41 0.00 0.00 0.00 175.76 180.51 3hb9 n THR 1170N 0.37 0.36 -0.09 0.00 -1.04 -1.26 -0.89 114.28 111.72 3hb9 n THR 1170Ca -0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 3hb9 n THR 1170Cb 0.55 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 3hb9 n THR 1170CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hb9 n GLY 1171N 4.67 0.53 3.73 3.41 0.00 -0.08 -4.97 105.19 112.48 3hb9 n GLY 1171Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3hb9 n GLY 1171CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hb9 s ASP 1172N -2.94 6.83 0.20 1.61 -0.00 -0.07 -1.09 116.67 121.21 3hb9 s ASP 1172Ca 0.00 2.41 -0.30 0.00 -0.00 0.00 0.00 52.55 54.66 3hb9 s ASP 1172Cb 0.00 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.23 3hb9 s ASP 1172CO 0.00 -0.60 1.40 -0.22 -0.00 0.00 0.00 175.17 175.74 3hb9 s LEU 1173N 0.33 4.39 0.00 1.23 2.96 -0.51 -0.50 118.68 126.58 3hb9 s LEU 1173Ca 0.60 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 57.02 3hb9 s LEU 1173Cb -0.37 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.71 3hb9 s LEU 1173CO 0.36 -0.64 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 3hb9 n LEU 1174N 2.88 2.08 -3.94 -0.68 4.77 -0.39 -4.70 117.00 117.02 3hb9 n LEU 1174Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3hb9 n LEU 1174Cb 0.41 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 3hb9 n LEU 1174CO 0.59 0.34 -0.28 -0.63 -1.33 0.00 0.00 177.39 176.08 3hb9 s ILE 1175N -1.78 0.11 -0.03 -0.08 -1.09 -1.22 -2.60 121.20 114.50 3hb9 s ILE 1175Ca 0.00 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 3hb9 s ILE 1175Cb 0.00 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.45 3hb9 s ILE 1175CO 0.00 -0.49 -0.12 -0.70 -1.23 0.00 0.00 174.94 172.41 3hb9 s GLU 1176N -1.64 1.28 0.11 2.79 2.12 -0.99 -1.04 118.70 121.32 3hb9 s GLU 1176Ca -0.14 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 54.82 3hb9 s GLU 1176Cb -0.08 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 3hb9 s GLU 1176CO -0.01 0.15 -0.11 0.42 -0.54 0.00 0.00 175.26 175.17 3hb9 s ILE 1177N 0.17 1.08 -2.19 -3.70 1.09 -0.73 -0.45 121.20 116.46 3hb9 s ILE 1177Ca -0.04 -1.69 0.30 0.00 -1.10 0.00 0.00 60.65 58.13 3hb9 s ILE 1177Cb -0.10 -1.44 0.77 0.00 -1.06 0.00 0.00 42.46 40.63 3hb9 s ILE 1177CO 0.01 -0.52 2.04 -0.62 -0.10 0.00 0.00 174.94 175.75