#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 -0.01 -0.39 1.01 -1.26 -4.92 121.20 120.63 3hb9 s ILE 37 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.81 3hb9 s ILE 37 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3hb9 s ILE 37 CO 0.00 0.06 -0.00 0.29 0.00 0.00 0.00 174.94 175.29 3hb9 n LYS 38 N 5.45 0.87 -3.99 2.79 5.02 -1.26 -4.81 118.16 122.22 3hb9 n LYS 38 Ca -0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3hb9 n LYS 38 Cb 0.49 -1.02 -0.16 0.00 -0.02 0.00 0.00 35.03 34.33 3hb9 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hb9 s LYS 39 N -2.02 1.95 -0.13 1.97 -0.14 -1.26 -0.70 119.74 119.42 3hb9 s LYS 39 Ca -0.01 -1.02 -0.03 0.00 -1.36 0.00 0.00 55.97 53.56 3hb9 s LYS 39 Cb 0.00 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 3hb9 s LYS 39 CO 0.02 -0.52 -0.03 -1.17 -0.76 0.00 0.00 175.35 172.89 3hb9 s LEU 40 N 1.32 3.31 -0.09 3.17 0.20 0.75 -0.16 118.68 127.18 3hb9 s LEU 40 Ca -0.05 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.74 3hb9 s LEU 40 Cb -0.18 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 3hb9 s LEU 40 CO -0.07 0.24 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.89 3hb9 s LEU 41 N -0.08 2.79 -0.34 -0.68 0.20 -0.45 0.35 118.68 120.47 3hb9 s LEU 41 Ca 0.02 -0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.49 3hb9 s LEU 41 Cb -0.13 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 3hb9 s LEU 41 CO 0.02 0.26 0.21 -0.69 -0.29 0.00 0.00 176.35 175.86 3hb9 s VAL 42 N -0.23 4.87 -1.40 1.68 1.01 -0.89 -0.87 120.40 124.57 3hb9 s VAL 42 Ca 0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3hb9 s VAL 42 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3hb9 s VAL 42 CO 0.03 -0.06 2.86 0.00 0.00 0.00 0.00 175.10 177.93 3hb9 n ALA 43 N 5.04 7.27 -3.34 5.51 0.00 -0.62 -4.20 120.51 130.17 3hb9 n ALA 43 Ca -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 53.44 49.77 3hb9 n ALA 43 Cb 0.48 -3.11 0.01 0.00 0.00 0.00 0.00 19.45 16.84 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 2.93 -0.89 -3.32 0.00 5.15 -1.26 -4.69 115.26 113.18 3hb9 n ASN 44 Ca 0.71 -1.59 -0.18 0.00 -0.60 0.00 0.00 54.58 52.93 3hb9 n ASN 44 Cb 0.29 1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 40.96 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 -2.03 1.81 3.25 1.20 1.70 -1.26 -4.61 118.95 119.01 3hb9 s ARG 45 Ca 0.07 -1.92 0.00 0.00 -0.47 0.00 0.00 55.73 53.41 3hb9 s ARG 45 Cb -0.02 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 3hb9 s ARG 45 CO 0.04 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 173.97 3hb9 n GLY 46 N -0.60 0.17 0.34 3.88 0.00 -1.26 -3.56 105.19 104.17 3hb9 n GLY 46 Ca 0.05 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 0.92 -0.10 1.61 -0.00 -1.88 -2.73 114.58 112.40 3hb9 h GLU 47 Ca 0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 59.36 59.16 3hb9 h GLU 47 Cb 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 28.53 3hb9 h GLU 47 CO 0.00 0.62 -0.56 0.97 -0.00 0.00 0.00 179.01 180.04 3hb9 h ILE 48 N 0.95 1.36 0.26 -1.06 6.09 -1.89 -1.61 117.51 121.62 3hb9 h ILE 48 Ca 0.25 -1.88 -0.00 0.00 -1.37 0.00 0.00 64.86 61.86 3hb9 h ILE 48 Cb -0.09 1.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 3hb9 h ILE 48 CO -0.05 0.56 -0.19 0.00 -3.07 0.00 0.00 178.15 175.40 3hb9 h ALA 49 N 1.17 -0.43 -0.58 0.18 0.00 -1.54 -0.91 119.26 117.15 3hb9 h ALA 49 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hb9 h ALA 49 Cb 1.06 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3hb9 h ALA 49 CO 0.09 -0.76 0.10 0.82 0.00 0.00 0.00 179.25 179.51 3hb9 h ILE 50 N -0.45 0.63 -0.50 0.00 1.08 -1.42 -1.37 117.51 115.50 3hb9 h ILE 50 Ca -0.02 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3hb9 h ILE 50 Cb 0.39 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 3hb9 h ILE 50 CO 0.00 0.04 0.23 -0.09 -0.69 0.00 0.00 178.15 177.64 3hb9 h ARG 51 N 0.23 0.43 -0.41 2.37 9.65 -0.91 -1.25 114.38 124.49 3hb9 h ARG 51 Ca 0.30 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 59.05 3hb9 h ARG 51 Cb 0.45 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3hb9 h ARG 51 CO -0.41 0.29 -0.18 0.82 2.80 0.00 0.00 179.97 183.29 3hb9 h ILE 52 N 0.44 1.27 -0.35 1.20 1.08 -0.60 -2.58 117.51 117.96 3hb9 h ILE 52 Ca 0.23 -1.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.42 3hb9 h ILE 52 Cb 0.17 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3hb9 h ILE 52 CO -0.18 0.43 0.21 -0.26 -0.69 0.00 0.00 178.15 177.65 3hb9 h PHE 53 N 0.69 0.47 -0.20 1.37 0.05 -0.73 -1.04 116.94 117.56 3hb9 h PHE 53 Ca 0.10 -0.01 0.04 0.00 3.82 0.00 0.00 57.97 61.93 3hb9 h PHE 53 Cb 0.68 -0.15 -0.04 0.00 2.00 0.00 0.00 35.95 38.43 3hb9 h PHE 53 CO 0.04 0.35 -0.08 0.00 -0.18 0.00 0.00 178.31 178.44 3hb9 h ARG 54 N 0.45 -0.05 -0.53 1.51 2.47 -1.14 0.14 114.38 117.24 3hb9 h ARG 54 Ca 0.13 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3hb9 h ARG 54 Cb 0.03 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3hb9 h ARG 54 CO -0.02 -0.03 0.08 0.00 0.56 0.00 0.00 179.97 180.56 3hb9 h ALA 55 N 1.14 1.14 -0.19 0.04 0.00 -1.26 -1.61 119.26 118.52 3hb9 h ALA 55 Ca 0.11 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 3hb9 h ALA 55 Cb 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hb9 h ALA 55 CO -0.24 0.57 -0.70 0.00 0.00 0.00 0.00 179.25 178.88 3hb9 h ALA 56 N 1.28 0.34 -0.40 0.00 0.00 -0.83 -2.88 119.26 116.77 3hb9 h ALA 56 Ca 0.17 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3hb9 h ALA 56 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hb9 h ALA 56 CO 0.01 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.84 3hb9 h ALA 57 N 0.58 1.11 0.00 0.00 0.00 -0.50 0.10 119.26 120.56 3hb9 h ALA 57 Ca -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3hb9 h ALA 57 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hb9 h ALA 57 CO 0.15 0.56 -0.17 0.93 0.00 0.00 0.00 179.25 180.71 3hb9 h GLU 58 N 0.64 0.00 -0.53 0.00 5.08 -1.32 -1.68 114.58 116.76 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 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hb9 h GLU 58 CO 0.03 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 3hb9 n LEU 59 N -3.50 2.87 -1.17 1.33 4.77 -0.52 -4.91 117.00 115.87 3hb9 n LEU 59 Ca -0.01 -1.44 -0.15 0.00 -0.03 0.00 0.00 56.01 54.38 3hb9 n LEU 59 Cb 0.33 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3hb9 n LEU 59 CO 0.31 0.60 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.15 3hb9 n ASP 60 N 0.76 -5.32 -4.75 -1.43 -0.08 -0.63 -4.97 116.55 100.13 3hb9 n ASP 60 Ca 0.16 0.38 -0.38 0.00 -1.51 0.00 0.00 54.79 53.43 3hb9 n ASP 60 Cb 0.50 -4.16 -0.06 0.00 2.34 0.00 0.00 41.12 39.74 3hb9 n ASP 60 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hb9 s ILE 61 N -2.41 5.03 0.42 5.18 1.01 0.24 -4.99 121.20 125.68 3hb9 s ILE 61 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 60.65 61.54 3hb9 s ILE 61 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 3hb9 s ILE 61 CO 0.00 0.38 1.14 -0.55 0.00 0.00 0.00 174.94 175.92 3hb9 s SER 62 N 0.11 6.47 0.22 3.58 0.15 0.13 -3.80 113.70 120.55 3hb9 s SER 62 Ca 0.29 2.27 0.10 0.00 0.70 0.00 0.00 55.95 59.31 3hb9 s SER 62 Cb -0.17 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 3hb9 s SER 62 CO 0.15 -0.71 -0.10 0.42 1.20 0.00 0.00 173.24 174.20 3hb9 s THR 63 N -1.50 3.06 -0.02 6.45 -4.23 -1.26 -0.18 115.64 117.96 3hb9 s THR 63 Ca 0.59 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 3hb9 s THR 63 Cb -0.28 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.02 3hb9 s THR 63 CO 0.35 -0.23 0.01 -0.69 -0.54 0.00 0.00 174.62 173.52 3hb9 s VAL 64 N -2.00 0.06 0.26 2.29 1.01 0.16 -2.26 120.40 119.91 3hb9 s VAL 64 Ca 0.27 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.44 3hb9 s VAL 64 Cb -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3hb9 s VAL 64 CO 0.16 0.09 0.02 0.00 0.00 0.00 0.00 175.10 175.37 3hb9 s ALA 65 N 0.74 3.22 0.07 5.51 0.00 -0.62 -2.10 121.76 128.57 3hb9 s ALA 65 Ca -0.07 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.32 3hb9 s ALA 65 Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3hb9 s ALA 65 CO -0.02 0.26 -0.15 0.96 0.00 0.00 0.00 175.76 176.81 3hb9 s ILE 66 N -2.30 1.22 0.21 0.00 -4.36 -1.26 -1.88 121.20 112.83 3hb9 s ILE 66 Ca 0.32 -1.26 -0.09 0.00 -0.26 0.00 0.00 60.65 59.36 3hb9 s ILE 66 Cb -0.07 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.49 3hb9 s ILE 66 CO 0.21 -0.13 0.35 -0.72 0.24 0.00 0.00 174.94 174.89 3hb9 s TYR 67 N -1.13 0.55 0.08 1.37 1.13 -0.82 -4.84 117.35 113.69 3hb9 s TYR 67 Ca 0.00 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.79 3hb9 s TYR 67 Cb -0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.73 3hb9 s TYR 67 CO 0.02 -0.84 0.03 -1.13 -2.51 0.00 0.00 175.55 171.12 3hb9 n SER 68 N -0.31 1.68 -0.07 -0.18 3.41 -1.26 -2.49 113.62 114.39 3hb9 n SER 68 Ca -0.02 -1.29 -0.05 0.00 -0.26 0.00 0.00 58.87 57.25 3hb9 n SER 68 Cb 0.63 0.02 0.15 0.00 -0.26 0.00 0.00 64.21 64.76 3hb9 n SER 68 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hb9 h ASN 69 N 0.13 0.70 1.51 4.04 4.21 -1.79 -2.78 115.58 121.60 3hb9 h ASN 69 Ca -0.05 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.25 3hb9 h ASN 69 Cb 0.18 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 3hb9 h ASN 69 CO 0.09 0.84 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.54 3hb9 h GLU 70 N 0.65 0.00 -0.49 0.81 5.08 -1.94 -3.31 114.58 115.39 3hb9 h GLU 70 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hb9 h GLU 70 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hb9 h GLU 70 CO 0.04 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.80 3hb9 n ASP 71 N -2.57 5.09 0.23 1.42 8.00 -1.07 -4.44 116.55 123.22 3hb9 n ASP 71 Ca 0.04 -2.91 0.09 0.00 0.71 0.00 0.00 54.79 52.72 3hb9 n ASP 71 Cb 0.48 -0.63 0.56 0.00 -0.02 0.00 0.00 41.12 41.51 3hb9 n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hb9 h LYS 72 N 3.34 0.00 -0.55 -1.24 1.57 -1.60 -2.95 116.57 115.15 3hb9 h LYS 72 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3hb9 h LYS 72 Cb 1.77 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.81 3hb9 h LYS 72 CO 0.39 0.21 -0.43 -1.13 -0.57 0.00 0.00 179.45 177.92 3hb9 n SER 73 N -3.78 4.10 -4.89 0.86 3.41 -1.26 -5.01 113.62 107.05 3hb9 n SER 73 Ca -0.02 -3.80 -0.35 0.00 -0.26 0.00 0.00 58.87 54.45 3hb9 n SER 73 Cb 0.32 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 3hb9 n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hb9 s SER 74 N -3.13 6.43 0.48 4.04 0.15 -1.11 -4.77 113.70 115.78 3hb9 s SER 74 Ca 0.49 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.80 3hb9 s SER 74 Cb 0.41 -2.06 1.19 0.00 -1.71 0.00 0.00 66.02 63.85 3hb9 s SER 74 CO 0.00 0.30 2.02 -0.07 1.20 0.00 0.00 173.24 176.69 3hb9 h LEU 75 N 4.19 0.00 -1.93 3.45 3.38 -1.91 -2.43 115.31 120.07 3hb9 h LEU 75 Ca -0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3hb9 h LEU 75 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hb9 h LEU 75 CO 0.65 0.17 -0.08 1.12 0.09 0.00 0.00 178.44 180.38 3hb9 h HIS 76 N 0.00 0.00 -0.50 1.13 2.07 -1.86 -2.87 115.15 113.12 3hb9 h HIS 76 Ca -0.00 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 3hb9 h HIS 76 Cb 0.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 3hb9 h HIS 76 CO 0.00 0.08 -0.20 -0.09 -3.07 0.00 0.00 177.93 174.65 3hb9 h ARG 77 N 0.00 1.02 -0.00 5.12 2.43 -1.75 -3.19 114.38 118.00 3hb9 h ARG 77 Ca -0.00 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3hb9 h ARG 77 Cb 0.35 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3hb9 h ARG 77 CO 0.01 1.11 -0.24 0.66 -1.51 0.00 0.00 179.97 180.00 3hb9 n TYR 78 N -4.11 0.00 0.78 2.20 4.02 -1.09 -4.13 117.16 114.82 3hb9 n TYR 78 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 3hb9 n TYR 78 Cb 0.45 -0.20 0.06 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.01 0.15 -3.10 -0.72 4.76 -1.19 -4.90 118.16 112.15 3hb9 n LYS 79 Ca 0.11 -0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.34 3hb9 n LYS 79 Cb 0.32 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 31.97 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 -3.10 4.00 0.01 7.82 0.00 -1.25 -4.97 121.76 124.26 3hb9 s ALA 80 Ca 0.07 -1.28 -0.25 0.00 0.00 0.00 0.00 51.96 50.50 3hb9 s ALA 80 Cb 0.16 -1.93 -0.18 0.00 0.00 0.00 0.00 23.12 21.16 3hb9 s ALA 80 CO 0.78 -0.30 1.38 -0.44 0.00 0.00 0.00 175.76 177.18 3hb9 h ASP 81 N 0.54 -0.07 -2.09 0.00 3.45 -1.90 -3.45 116.42 112.90 3hb9 h ASP 81 Ca -0.45 -0.30 -0.53 0.00 0.43 0.00 0.00 57.03 56.18 3hb9 h ASP 81 Cb 1.26 0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.98 3hb9 h ASP 81 CO 0.54 0.27 -0.56 -1.61 -1.57 0.00 0.00 179.24 176.31 3hb9 s GLU 82 N -4.82 2.57 -0.17 3.56 2.02 -0.96 -5.03 118.70 115.87 3hb9 s GLU 82 Ca -0.15 -1.31 -0.07 0.00 0.02 0.00 0.00 54.97 53.46 3hb9 s GLU 82 Cb 0.03 -2.34 0.07 0.00 0.10 0.00 0.00 34.13 31.99 3hb9 s GLU 82 CO 0.64 0.29 0.38 0.45 0.02 0.00 0.00 175.26 177.04 3hb9 s SER 83 N -3.81 -0.23 -0.03 -0.19 0.15 -1.26 -1.60 113.70 106.74 3hb9 s SER 83 Ca 0.34 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.87 3hb9 s SER 83 Cb -0.06 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 65.26 3hb9 s SER 83 CO 0.23 -0.22 -0.04 -0.31 1.20 0.00 0.00 173.24 174.10 3hb9 s TYR 84 N 2.12 0.60 0.07 3.44 1.51 -0.79 -4.98 117.35 119.32 3hb9 s TYR 84 Ca -0.04 -0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 3hb9 s TYR 84 Cb -0.11 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.20 3hb9 s TYR 84 CO -0.12 -0.11 1.03 -1.17 -1.11 0.00 0.00 175.55 174.07 3hb9 s LEU 85 N 0.50 4.43 -1.35 -1.29 2.96 -1.26 -1.94 118.68 120.73 3hb9 s LEU 85 Ca -0.06 1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 3hb9 s LEU 85 Cb -0.10 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.12 3hb9 s LEU 85 CO -0.00 -0.23 2.01 1.33 -1.32 0.00 0.00 176.35 178.14 3hb9 n VAL 86 N 3.33 3.97 -0.13 1.68 0.24 -1.04 -4.85 118.33 121.54 3hb9 n VAL 86 Ca 0.05 -3.83 0.00 0.00 -2.04 0.00 0.00 64.34 58.51 3hb9 n VAL 86 Cb 0.49 -2.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.40 3hb9 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hb9 n GLY 87 N 3.42 -3.09 0.00 7.63 0.00 -1.26 -4.44 105.19 107.44 3hb9 n GLY 87 Ca 0.45 -1.14 0.10 0.00 0.00 0.00 0.00 46.02 45.42 3hb9 n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hb9 n SER 88 N -1.05 0.00 -0.07 1.61 2.88 -1.26 -3.80 113.62 111.93 3hb9 n SER 88 Ca 0.00 -0.65 -0.22 0.00 -1.33 0.00 0.00 58.87 56.67 3hb9 n SER 88 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3hb9 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hb9 n ASP 89 N -0.98 1.96 -4.49 -3.46 8.00 -1.26 -4.87 116.55 111.45 3hb9 n ASP 89 Ca 0.14 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.54 3hb9 n ASP 89 Cb 0.07 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 3hb9 n ASP 89 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hb9 s LEU 90 N -7.52 4.65 0.00 0.64 1.02 -1.25 -4.98 118.68 111.24 3hb9 s LEU 90 Ca -0.27 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 53.27 3hb9 s LEU 90 Cb 0.07 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3hb9 s LEU 90 CO 0.65 -0.90 0.14 0.61 0.02 0.00 0.00 176.35 176.87 3hb9 n GLY 91 N 5.11 0.19 0.00 -3.19 0.00 -1.26 -4.50 105.19 101.55 3hb9 n GLY 91 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hb9 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hb9 n PRO 92 N -1.02 1.55 0.10 1.61 -0.04 -1.26 -3.71 135.00 132.23 3hb9 n PRO 92 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 3hb9 n PRO 92 Cb 0.00 0.00 0.45 0.00 -0.04 0.00 0.00 33.50 33.91 3hb9 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hb9 n ALA 93 N -3.00 1.94 0.29 0.55 0.00 -1.26 -3.05 120.51 115.97 3hb9 n ALA 93 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3hb9 n ALA 93 Cb 0.00 -1.41 0.67 0.00 0.00 0.00 0.00 19.45 18.71 3hb9 n ALA 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hb9 h GLU 94 N 0.00 0.00 0.00 0.00 4.11 -1.93 -3.15 114.58 113.60 3hb9 h GLU 94 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 3hb9 h GLU 94 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hb9 h GLU 94 CO 0.00 0.00 -0.22 1.03 0.07 0.00 0.00 179.01 179.89 3hb9 h SER 95 N 0.00 0.00 -0.01 3.06 0.87 -1.79 -2.59 113.55 113.09 3hb9 h SER 95 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hb9 h SER 95 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3hb9 h SER 95 CO 0.00 0.22 -0.03 -1.22 -0.53 0.00 0.00 176.83 175.27 3hb9 n TYR 96 N -3.26 0.00 0.35 2.24 4.02 -1.19 -4.11 117.16 115.22 3hb9 n TYR 96 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 3hb9 n TYR 96 Cb 0.51 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.58 0.35 -4.56 7.72 4.77 -0.99 -4.56 117.00 120.31 3hb9 n LEU 97 Ca 0.16 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 3hb9 n LEU 97 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3hb9 n LEU 97 CO 0.17 0.09 1.51 0.21 -1.33 0.00 0.00 177.39 178.04 3hb9 s ASN 98 N -3.57 4.79 0.15 -1.43 3.04 -1.14 -4.85 114.94 111.93 3hb9 s ASN 98 Ca -0.01 0.06 -0.25 0.00 0.04 0.00 0.00 52.86 52.70 3hb9 s ASN 98 Cb 0.13 -2.54 0.01 0.00 -1.54 0.00 0.00 41.25 37.31 3hb9 s ASN 98 CO 0.77 -2.90 1.60 0.40 -3.04 0.00 0.00 177.10 173.92 3hb9 h ILE 99 N 7.32 0.23 -0.16 -5.21 2.04 -1.93 -2.33 117.51 117.47 3hb9 h ILE 99 Ca -0.08 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 3hb9 h ILE 99 Cb 1.09 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3hb9 h ILE 99 CO 1.16 0.00 -0.53 -0.33 0.00 0.00 0.00 178.15 178.45 3hb9 h GLU 100 N -0.34 0.46 -0.02 2.37 4.39 -2.00 -3.07 114.58 116.36 3hb9 h GLU 100 Ca 0.13 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 3hb9 h GLU 100 Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3hb9 h GLU 100 CO -0.46 0.88 -0.66 -0.09 -1.16 0.00 0.00 179.01 177.52 3hb9 h ARG 101 N 0.36 0.11 -0.41 2.33 9.65 -1.93 -2.56 114.38 121.93 3hb9 h ARG 101 Ca 0.01 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 58.67 3hb9 h ARG 101 Cb 1.05 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3hb9 h ARG 101 CO 0.10 0.73 -0.25 0.82 2.80 0.00 0.00 179.97 184.16 3hb9 h ILE 102 N 0.08 1.28 -0.30 1.20 1.08 -1.43 -3.09 117.51 116.32 3hb9 h ILE 102 Ca -0.01 -1.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.01 3hb9 h ILE 102 Cb 1.18 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 3hb9 h ILE 102 CO 0.09 0.48 0.02 0.40 -0.69 0.00 0.00 178.15 178.45 3hb9 h ILE 103 N 0.73 1.17 -0.10 -0.67 1.08 -1.44 -1.75 117.51 116.53 3hb9 h ILE 103 Ca 0.09 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 3hb9 h ILE 103 Cb 0.83 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 3hb9 h ILE 103 CO 0.07 0.22 -0.12 0.44 -0.69 0.00 0.00 178.15 178.08 3hb9 h ASP 104 N 0.43 -0.36 -0.66 1.72 3.45 -1.38 0.10 116.42 119.72 3hb9 h ASP 104 Ca 0.10 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 3hb9 h ASP 104 Cb 0.26 0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 3hb9 h ASP 104 CO 0.00 -0.16 0.29 0.58 -1.57 0.00 0.00 179.24 178.39 3hb9 h VAL 105 N -0.15 1.23 -0.39 -1.35 2.07 -1.43 -0.29 116.25 115.94 3hb9 h VAL 105 Ca 0.08 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hb9 h VAL 105 Cb 0.26 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3hb9 h VAL 105 CO -0.19 0.28 0.23 0.00 0.02 0.00 0.00 177.57 177.91 3hb9 h ALA 106 N 1.13 0.50 -0.31 1.67 0.00 -1.08 -2.58 119.26 118.59 3hb9 h ALA 106 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hb9 h ALA 106 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hb9 h ALA 106 CO -0.02 -0.01 0.13 0.87 0.00 0.00 0.00 179.25 180.22 3hb9 h LYS 107 N 0.51 0.45 0.00 0.00 1.57 -0.56 -1.27 116.57 117.28 3hb9 h LYS 107 Ca 0.14 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hb9 h LYS 107 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hb9 h LYS 107 CO -0.03 0.46 -0.01 0.37 -0.57 0.00 0.00 179.45 179.67 3hb9 h GLN 108 N 0.35 0.00 -0.28 3.15 5.75 -0.92 -3.04 115.11 120.12 3hb9 h GLN 108 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3hb9 h GLN 108 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3hb9 h GLN 108 CO -0.01 0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 3hb9 n ALA 109 N -2.10 2.33 -3.21 3.38 0.00 -0.98 -4.98 120.51 114.94 3hb9 n ALA 109 Ca -0.01 -1.41 -0.22 0.00 0.00 0.00 0.00 53.44 51.80 3hb9 n ALA 109 Cb 0.20 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.26 3hb9 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hb9 n ASN 110 N 0.14 -5.98 -4.74 0.00 3.02 -1.15 -4.97 115.26 101.58 3hb9 n ASN 110 Ca 0.12 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.89 3hb9 n ASN 110 Cb 0.51 -4.71 -0.04 0.00 -0.61 0.00 0.00 39.78 34.93 3hb9 n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hb9 s VAL 111 N -3.21 3.66 -0.16 2.41 1.01 -0.48 -4.56 120.40 119.07 3hb9 s VAL 111 Ca 0.40 1.41 0.14 0.00 0.00 0.00 0.00 61.98 63.92 3hb9 s VAL 111 Cb -0.18 -3.90 -0.24 0.00 0.00 0.00 0.00 36.38 32.07 3hb9 s VAL 111 CO 0.49 0.23 0.21 0.47 0.00 0.00 0.00 175.10 176.51 3hb9 n ASP 112 N 2.47 0.56 -3.86 3.32 10.43 0.77 -4.79 116.55 125.45 3hb9 n ASP 112 Ca 0.04 0.11 -0.11 0.00 2.57 0.00 0.00 54.79 57.39 3hb9 n ASP 112 Cb 0.45 0.47 -0.10 0.00 1.84 0.00 0.00 41.12 43.78 3hb9 n ASP 112 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hb9 s ALA 113 N -2.53 -0.38 -0.15 2.24 0.00 -1.20 -0.17 121.76 119.58 3hb9 s ALA 113 Ca -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3hb9 s ALA 113 Cb 0.07 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3hb9 s ALA 113 CO 0.80 -0.22 -0.20 0.42 0.00 0.00 0.00 175.76 176.57 3hb9 s ILE 114 N -1.39 1.96 -0.33 0.00 1.01 -0.63 -1.34 121.20 120.47 3hb9 s ILE 114 Ca -0.15 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 3hb9 s ILE 114 Cb -0.07 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3hb9 s ILE 114 CO 0.02 0.53 0.41 -2.28 0.00 0.00 0.00 174.94 173.62 3hb9 s HIS 115 N 1.03 3.21 -0.45 3.97 2.46 -0.05 -1.23 115.29 124.23 3hb9 s HIS 115 Ca -0.02 0.10 0.25 0.00 0.47 0.00 0.00 55.06 55.86 3hb9 s HIS 115 Cb -0.14 -2.73 0.60 0.00 -0.13 0.00 0.00 32.58 30.17 3hb9 s HIS 115 CO -0.06 -0.43 1.70 -1.00 -2.47 0.00 0.00 174.74 172.47 3hb9 h PRO 116 N 8.42 0.00 0.00 2.88 0.13 -1.86 -1.65 132.00 139.92 3hb9 h PRO 116 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hb9 h PRO 116 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hb9 h PRO 116 CO 0.71 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 3hb9 n GLY 117 N 0.98 1.84 3.08 1.56 0.00 -1.26 -4.44 105.19 106.95 3hb9 n GLY 117 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.20 -1.03 1.61 -0.85 -1.26 -4.39 117.35 111.63 3hb9 s TYR 118 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3hb9 s TYR 118 Cb 0.00 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.19 3hb9 s TYR 118 CO 0.00 -0.31 0.00 0.41 -1.52 0.00 0.00 175.55 174.13 3hb9 n GLY 119 N 1.07 0.21 0.00 5.49 0.00 -1.26 -4.87 105.19 105.83 3hb9 n GLY 119 Ca -0.21 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.70 0.00 -0.54 1.61 3.72 -1.26 -4.94 117.46 112.34 3hb9 n PHE 120 Ca -0.13 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3hb9 n PHE 120 Cb 0.55 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.42 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 0.00 4.41 0.25 4.37 4.77 -1.26 -4.57 117.00 124.97 3hb9 n LEU 121 Ca 0.00 -2.31 0.12 0.00 -0.03 0.00 0.00 56.01 53.80 3hb9 n LEU 121 Cb 0.00 -0.53 0.62 0.00 -2.33 0.00 0.00 43.42 41.18 3hb9 n LEU 121 CO 0.00 0.86 0.91 0.77 -1.33 0.00 0.00 177.39 178.60 3hb9 h SER 122 N 3.95 0.00 -0.27 -1.43 4.64 -1.87 -2.32 113.55 116.26 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 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3hb9 h SER 122 CO 0.15 0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.64 3hb9 n GLU 123 N -3.43 2.29 -2.65 4.77 1.02 -1.26 -4.82 120.64 116.55 3hb9 n GLU 123 Ca -0.01 -1.84 -0.42 0.00 -0.02 0.00 0.00 57.16 54.87 3hb9 n GLU 123 Cb 0.33 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.99 7.23 0.05 1.62 3.84 -0.87 -4.85 114.94 120.96 3hb9 s ASN 124 Ca 0.21 1.59 -0.28 0.00 0.21 0.00 0.00 52.86 54.59 3hb9 s ASN 124 Cb 0.12 -2.56 -0.17 0.00 -0.55 0.00 0.00 41.25 38.09 3hb9 s ASN 124 CO 0.16 -0.45 1.47 -0.08 -2.79 0.00 0.00 177.10 175.40 3hb9 h GLU 125 N 7.12 -0.60 -0.29 0.43 4.57 -1.89 -3.27 114.58 120.65 3hb9 h GLU 125 Ca -0.32 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3hb9 h GLU 125 Cb 1.16 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3hb9 h GLU 125 CO 0.85 -0.33 0.10 0.37 -1.18 0.00 0.00 179.01 178.82 3hb9 h GLN 126 N -0.76 0.44 -0.75 1.92 4.15 -1.97 -3.04 115.11 115.10 3hb9 h GLN 126 Ca -0.06 -0.09 0.14 0.00 0.77 0.00 0.00 58.65 59.41 3hb9 h GLN 126 Cb 0.54 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.07 3hb9 h GLN 126 CO 0.10 0.48 0.30 0.35 -1.93 0.00 0.00 178.83 178.13 3hb9 h PHE 127 N 0.31 0.52 -0.17 3.99 3.57 -1.92 -0.83 116.94 122.42 3hb9 h PHE 127 Ca 0.09 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3hb9 h PHE 127 Cb 0.21 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3hb9 h PHE 127 CO -0.00 0.07 -0.37 0.00 -2.23 0.00 0.00 178.31 175.79 3hb9 h ALA 128 N 1.54 1.06 0.37 2.41 0.00 -1.60 -2.39 119.26 120.66 3hb9 h ALA 128 Ca 0.41 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hb9 h ALA 128 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hb9 h ALA 128 CO -0.39 0.59 -0.18 -0.09 0.00 0.00 0.00 179.25 179.18 3hb9 h ARG 129 N 0.30 -0.48 -0.50 0.00 2.43 -1.07 -2.39 114.38 112.67 3hb9 h ARG 129 Ca 0.03 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3hb9 h ARG 129 Cb 0.79 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 3hb9 h ARG 129 CO 0.06 -0.20 0.34 0.00 -1.51 0.00 0.00 179.97 178.66 3hb9 h ARG 130 N -0.74 0.39 -0.19 0.20 2.47 -1.34 -0.28 114.38 114.89 3hb9 h ARG 130 Ca -0.05 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3hb9 h ARG 130 Cb 0.51 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3hb9 h ARG 130 CO 0.08 0.26 0.12 0.00 0.56 0.00 0.00 179.97 180.99 3hb9 h ALA 132 N 1.07 0.61 -0.60 0.00 0.00 -0.58 0.13 119.26 119.89 3hb9 h ALA 132 Ca 0.07 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hb9 h ALA 132 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3hb9 h ALA 132 CO -0.02 0.20 0.40 0.93 0.00 0.00 0.00 179.25 180.77 3hb9 h GLU 133 N 0.62 0.51 -0.09 0.00 5.08 -1.11 -1.78 114.58 117.81 3hb9 h GLU 133 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hb9 h GLU 133 Cb 0.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hb9 h GLU 133 CO -0.02 0.34 0.00 0.39 -1.00 0.00 0.00 179.01 178.72 3hb9 n GLU 134 N -4.48 1.78 -0.79 2.33 -0.58 -1.00 -4.92 120.64 112.99 3hb9 n GLU 134 Ca 0.09 -1.16 0.00 0.00 -0.42 0.00 0.00 57.16 55.67 3hb9 n GLU 134 Cb 0.28 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.19 0.59 3.71 0.62 0.00 -0.67 -5.04 105.19 105.59 3hb9 n GLY 135 Ca 0.18 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 5.14 -0.45 -0.61 -1.09 0.42 -4.89 121.20 117.72 3hb9 s ILE 136 Ca 0.00 1.07 -0.28 0.00 -2.23 0.00 0.00 60.65 59.21 3hb9 s ILE 136 Cb 0.00 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 3hb9 s ILE 136 CO 0.00 0.28 1.04 -0.75 -1.23 0.00 0.00 174.94 174.28 3hb9 s LYS 137 N 0.89 3.71 -0.20 2.79 2.47 0.76 -3.20 119.74 126.96 3hb9 s LYS 137 Ca 0.28 0.49 -0.29 0.00 -1.56 0.00 0.00 55.97 54.89 3hb9 s LYS 137 Cb -0.16 -3.89 -0.03 0.00 -1.46 0.00 0.00 37.83 32.30 3hb9 s LYS 137 CO 0.12 -1.24 1.64 0.12 0.16 0.00 0.00 175.35 176.15 3hb9 s PHE 138 N 4.06 2.05 -0.86 4.03 2.19 -1.26 -1.60 117.98 126.59 3hb9 s PHE 138 Ca 0.43 0.50 -0.25 0.00 0.33 0.00 0.00 56.93 57.94 3hb9 s PHE 138 Cb -0.09 -3.97 0.02 0.00 -1.31 0.00 0.00 43.02 37.67 3hb9 s PHE 138 CO 0.27 -3.10 1.49 0.42 1.83 0.00 0.00 175.22 176.13 3hb9 s ILE 139 N 5.16 3.74 -3.36 3.12 1.01 -0.37 -4.75 121.20 125.74 3hb9 s ILE 139 Ca 0.73 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.18 3hb9 s ILE 139 Cb -0.26 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.43 3hb9 s ILE 139 CO 0.29 -1.70 0.00 0.61 0.00 0.00 0.00 174.94 174.15 3hb9 n GLY 140 N 6.22 -0.53 3.85 6.18 0.00 -1.26 -4.51 105.19 115.14 3hb9 n GLY 140 Ca 0.22 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.35 2.33 0.93 1.61 0.04 -1.24 -4.58 135.00 132.75 3hb9 s PRO 141 Ca 0.00 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 3hb9 s PRO 141 Cb 0.00 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.72 3hb9 s PRO 141 CO 0.00 -1.40 1.10 0.72 0.04 0.00 0.00 177.00 177.45 3hb9 n HIS 142 N -3.25 0.65 -0.22 0.56 8.25 -1.26 -4.85 115.22 115.08 3hb9 n HIS 142 Ca 0.07 0.37 0.03 0.00 -0.26 0.00 0.00 57.72 57.93 3hb9 n HIS 142 Cb 0.58 -1.98 0.12 0.00 1.12 0.00 0.00 29.99 29.83 3hb9 n HIS 142 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hb9 h LEU 143 N -1.91 -0.27 0.00 2.41 3.38 -1.96 -1.76 115.31 115.20 3hb9 h LEU 143 Ca -0.44 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hb9 h LEU 143 Cb 1.27 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3hb9 h LEU 143 CO 0.41 -0.13 0.00 -1.84 0.09 0.00 0.00 178.44 176.97 3hb9 n GLU 144 N -5.29 0.04 0.07 1.13 0.00 -1.26 -2.30 120.64 113.03 3hb9 n GLU 144 Ca 0.11 0.22 -0.22 0.00 0.00 0.00 0.00 57.16 57.27 3hb9 n GLU 144 Cb 0.40 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.19 3hb9 n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hb9 h HIS 145 N 0.00 0.67 0.00 -1.84 3.86 -1.66 -2.50 115.15 113.68 3hb9 h HIS 145 Ca 0.00 -0.49 -0.07 0.00 -1.16 0.00 0.00 60.37 58.65 3hb9 h HIS 145 Cb 0.24 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3hb9 h HIS 145 CO 0.00 1.50 -0.32 -0.07 0.86 0.00 0.00 177.93 179.90 3hb9 h LEU 146 N -0.14 0.00 -0.45 2.43 3.38 -1.44 0.36 115.31 119.45 3hb9 h LEU 146 Ca -0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 3hb9 h LEU 146 Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 3hb9 h LEU 146 CO 0.17 0.32 -0.68 -0.78 0.09 0.00 0.00 178.44 177.56 3hb9 h ASP 147 N 0.00 0.49 -0.06 -0.43 1.82 -1.58 -1.46 116.42 115.20 3hb9 h ASP 147 Ca -0.00 -0.30 -0.14 0.00 -0.39 0.00 0.00 57.03 56.20 3hb9 h ASP 147 Cb 0.57 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.45 3hb9 h ASP 147 CO 0.04 1.03 -0.49 -0.03 -1.61 0.00 0.00 179.24 178.18 3hb9 h MET 148 N 0.29 0.43 -0.00 0.28 4.05 -0.78 -3.36 114.93 115.84 3hb9 h MET 148 Ca -0.02 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3hb9 h MET 148 Cb 1.24 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3hb9 h MET 148 CO 0.12 1.04 -0.46 1.19 0.23 0.00 0.00 176.91 179.02 3hb9 n PHE 149 N -4.27 0.00 1.00 1.39 3.01 0.01 -2.66 117.46 115.94 3hb9 n PHE 149 Ca -0.09 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.38 3hb9 n PHE 149 Cb 0.60 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.15 3hb9 n PHE 149 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 150 N 1.19 -0.50 2.83 1.37 0.00 -0.55 -4.38 105.19 105.15 3hb9 n GLY 150 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3hb9 n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hb9 s ASP 151 N -1.58 0.08 0.36 1.61 -1.08 -1.26 -4.67 116.67 110.13 3hb9 s ASP 151 Ca 0.04 0.17 0.14 0.00 -0.52 0.00 0.00 52.55 52.38 3hb9 s ASP 151 Cb 0.02 0.06 0.70 0.00 -1.46 0.00 0.00 42.92 42.23 3hb9 s ASP 151 CO 0.03 -0.15 1.79 0.11 0.52 0.00 0.00 175.17 177.47 3hb9 h LYS 152 N 7.39 0.00 -0.05 4.34 1.57 -1.90 0.16 116.57 128.08 3hb9 h LYS 152 Ca -0.41 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.12 3hb9 h LYS 152 Cb 1.13 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.45 3hb9 h LYS 152 CO 0.42 0.40 -0.95 0.28 -0.57 0.00 0.00 179.45 179.04 3hb9 h VAL 153 N 0.00 1.29 -0.30 0.50 2.07 -1.95 -2.27 116.25 115.59 3hb9 h VAL 153 Ca -0.00 -2.18 -0.17 0.00 0.82 0.00 0.00 66.70 65.17 3hb9 h VAL 153 Cb 0.75 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3hb9 h VAL 153 CO 0.05 0.68 -0.48 0.50 0.02 0.00 0.00 177.57 178.34 3hb9 h LYS 154 N 0.42 0.82 -0.74 1.57 3.64 -1.77 -0.52 116.57 119.99 3hb9 h LYS 154 Ca -0.10 -0.48 0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3hb9 h LYS 154 Cb 1.59 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 3hb9 h LYS 154 CO 0.19 1.12 0.47 0.00 -2.27 0.00 0.00 179.45 178.95 3hb9 h ALA 155 N 0.80 0.96 -0.55 5.00 0.00 -0.45 0.19 119.26 125.21 3hb9 h ALA 155 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hb9 h ALA 155 Cb 1.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3hb9 h ALA 155 CO 0.11 0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.64 3hb9 h ARG 156 N 0.92 0.97 -0.72 0.00 3.08 -1.27 0.47 114.38 117.82 3hb9 h ARG 156 Ca 0.29 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hb9 h ARG 156 Cb -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hb9 h ARG 156 CO -0.10 0.97 0.41 1.15 -1.07 0.00 0.00 179.97 181.33 3hb9 h THR 157 N 0.85 1.21 -0.33 2.04 2.02 -0.61 -1.13 112.91 116.96 3hb9 h THR 157 Ca 0.16 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 3hb9 h THR 157 Cb 0.52 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3hb9 h THR 157 CO 0.03 0.23 -0.11 0.74 0.37 0.00 0.00 175.52 176.77 3hb9 h THR 158 N 0.98 1.24 -0.19 3.16 2.02 -0.43 -2.68 112.91 117.01 3hb9 h THR 158 Ca 0.26 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 3hb9 h THR 158 Cb 0.00 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3hb9 h THR 158 CO -0.04 0.35 0.01 0.00 0.37 0.00 0.00 175.52 176.20 3hb9 h ALA 159 N 1.35 0.25 -0.77 6.16 0.00 -0.32 -2.01 119.26 123.92 3hb9 h ALA 159 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3hb9 h ALA 159 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3hb9 h ALA 159 CO 0.03 -0.05 0.30 0.82 0.00 0.00 0.00 179.25 180.35 3hb9 h ILE 160 N 0.09 1.26 -0.63 0.00 2.04 -1.18 -0.94 117.51 118.14 3hb9 h ILE 160 Ca 0.05 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 3hb9 h ILE 160 Cb 0.36 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3hb9 h ILE 160 CO 0.01 0.34 0.19 0.50 0.00 0.00 0.00 178.15 179.18 3hb9 h LYS 161 N 1.13 0.97 0.00 2.37 1.63 -1.46 -1.51 116.57 119.70 3hb9 h LYS 161 Ca 0.26 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 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 0.84 0.00 0.00 -3.45 0.00 0.00 179.45 176.82 3hb9 n ALA 162 N -2.45 2.42 -2.61 5.00 0.00 -0.76 -4.90 120.51 117.21 3hb9 n ALA 162 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 3hb9 n ALA 162 Cb 0.22 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.13 -2.66 -4.79 0.00 2.03 -0.57 -4.67 116.55 104.77 3hb9 n ASP 163 Ca 0.17 -0.11 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 3hb9 n ASP 163 Cb 0.14 -1.43 -0.07 0.00 -0.72 0.00 0.00 41.12 39.05 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 -2.45 3.91 0.09 -2.67 1.02 -0.42 -5.02 118.68 113.15 3hb9 s LEU 164 Ca 0.09 0.14 -0.31 0.00 0.02 0.00 0.00 54.13 54.07 3hb9 s LEU 164 Cb -0.04 -2.31 -0.07 0.00 0.02 0.00 0.00 46.19 43.80 3hb9 s LEU 164 CO 0.15 0.26 1.29 -2.16 0.02 0.00 0.00 176.35 175.91 3hb9 s PRO 165 N -1.80 4.38 0.08 1.29 0.04 -1.26 -4.35 135.00 133.37 3hb9 s PRO 165 Ca 0.24 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.22 3hb9 s PRO 165 Cb -0.12 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3hb9 s PRO 165 CO 0.15 -0.34 -0.10 0.08 0.04 0.00 0.00 177.00 176.83 3hb9 s VAL 166 N 1.07 0.88 0.18 -0.36 1.01 -1.26 0.03 120.40 121.94 3hb9 s VAL 166 Ca 0.61 -1.48 -0.32 0.00 0.00 0.00 0.00 61.98 60.80 3hb9 s VAL 166 Cb -0.33 -1.17 -0.11 0.00 0.00 0.00 0.00 36.38 34.77 3hb9 s VAL 166 CO 0.30 -0.48 1.66 -0.63 0.00 0.00 0.00 175.10 175.95 3hb9 s ILE 167 N -2.08 2.38 0.00 2.22 1.09 -1.26 -4.92 121.20 118.63 3hb9 s ILE 167 Ca 0.01 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 3hb9 s ILE 167 Cb -0.05 -3.15 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 3hb9 s ILE 167 CO 0.00 0.02 0.11 -2.65 -0.10 0.00 0.00 174.94 172.32 3hb9 n PRO 168 N 4.19 0.00 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.87 3hb9 n PRO 168 Ca 0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hb9 n PRO 168 Cb 0.37 -0.33 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 3hb9 n PRO 168 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hb9 n GLY 169 N -0.37 -0.49 3.95 -1.23 0.00 -1.26 -4.88 105.19 100.90 3hb9 n GLY 169 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3hb9 n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hb9 s THR 170 N 0.00 4.90 0.38 2.61 2.01 -0.78 -4.95 115.64 119.81 3hb9 s THR 170 Ca 0.00 -0.51 0.23 0.00 0.31 0.00 0.00 61.69 61.72 3hb9 s THR 170 Cb 0.00 -3.79 0.24 0.00 0.01 0.00 0.00 72.50 68.96 3hb9 s THR 170 CO 0.00 -0.50 1.99 0.44 -0.69 0.00 0.00 174.62 175.86 3hb9 h ASP 171 N 0.72 0.00 -0.65 3.53 3.32 -1.93 -3.48 116.42 117.93 3hb9 h ASP 171 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hb9 h ASP 171 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3hb9 h ASP 171 CO 0.60 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.92 3hb9 n GLY 172 N -0.59 2.24 3.78 2.75 0.00 -1.26 -5.06 105.19 107.05 3hb9 n GLY 172 Ca -0.02 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 3hb9 n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hb9 s PRO 173 N -1.04 3.10 -0.15 1.61 0.04 -1.26 -4.68 135.00 132.62 3hb9 s PRO 173 Ca 0.00 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 3hb9 s PRO 173 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3hb9 s PRO 173 CO 0.00 -1.01 -0.01 0.42 0.04 0.00 0.00 177.00 176.45 3hb9 s ILE 174 N -2.29 4.20 -0.07 0.56 1.09 -0.96 -4.95 121.20 118.78 3hb9 s ILE 174 Ca 0.66 -0.26 -0.20 0.00 -1.10 0.00 0.00 60.65 59.76 3hb9 s ILE 174 Cb -0.19 -2.83 -0.15 0.00 -1.06 0.00 0.00 42.46 38.22 3hb9 s ILE 174 CO 0.37 0.51 0.78 0.50 -0.10 0.00 0.00 174.94 177.00 3hb9 h LYS 175 N 6.34 -0.16 -4.24 2.79 1.63 -1.97 -3.40 116.57 117.56 3hb9 h LYS 175 Ca -0.37 0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.26 3hb9 h LYS 175 Cb 1.18 0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 32.73 3hb9 h LYS 175 CO 0.63 0.29 -0.42 -1.12 -3.45 0.00 0.00 179.45 175.38 3hb9 s SER 176 N -5.57 0.11 0.21 4.20 0.01 -1.26 -5.02 113.70 106.38 3hb9 s SER 176 Ca -0.12 -1.23 0.12 0.00 1.31 0.00 0.00 55.95 56.03 3hb9 s SER 176 Cb -0.00 0.47 0.74 0.00 0.21 0.00 0.00 66.02 67.44 3hb9 s SER 176 CO 0.46 -0.97 0.85 0.00 0.41 0.00 0.00 173.24 173.99 3hb9 n TYR 177 N -0.33 0.60 -0.04 2.43 4.19 -1.26 -1.70 117.16 121.06 3hb9 n TYR 177 Ca 0.01 0.60 -0.14 0.00 3.31 0.00 0.00 57.90 61.68 3hb9 n TYR 177 Cb 0.64 -1.04 -0.09 0.00 0.49 0.00 0.00 39.34 39.34 3hb9 n TYR 177 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3hb9 h GLU 178 N 0.00 0.26 -0.47 2.98 4.57 -2.00 -2.97 114.58 116.95 3hb9 h GLU 178 Ca 0.46 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 3hb9 h GLU 178 Cb 1.26 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3hb9 h GLU 178 CO -0.39 0.80 -0.07 1.25 -1.18 0.00 0.00 179.01 179.41 3hb9 h LEU 179 N -0.24 0.80 -1.24 1.64 6.46 -1.74 -2.56 115.31 118.43 3hb9 h LEU 179 Ca -0.00 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.45 3hb9 h LEU 179 Cb 0.81 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3hb9 h LEU 179 CO 0.04 0.91 -0.36 0.00 -0.62 0.00 0.00 178.44 178.41 3hb9 h ALA 180 N 1.17 1.37 -0.45 1.25 0.00 -1.63 -3.21 119.26 117.77 3hb9 h ALA 180 Ca 0.13 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3hb9 h ALA 180 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3hb9 h ALA 180 CO 0.03 0.47 0.11 0.87 0.00 0.00 0.00 179.25 180.73 3hb9 h LYS 181 N 0.03 0.25 0.56 0.00 1.79 -1.28 -3.10 116.57 114.82 3hb9 h LYS 181 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3hb9 h LYS 181 Cb 0.66 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 3hb9 h LYS 181 CO 0.05 0.17 -0.49 0.93 -1.08 0.00 0.00 179.45 179.02 3hb9 h GLU 182 N 0.26 -1.00 -0.97 3.15 5.08 -1.62 -3.00 114.58 116.48 3hb9 h GLU 182 Ca 0.22 0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.37 3hb9 h GLU 182 Cb 0.25 0.23 -0.16 0.00 0.50 0.00 0.00 28.75 29.57 3hb9 h GLU 182 CO -0.26 -0.67 0.34 1.19 -1.00 0.00 0.00 179.01 178.62 3hb9 n PHE 183 N -5.57 1.73 0.02 4.33 3.01 -1.23 -2.93 117.46 116.81 3hb9 n PHE 183 Ca -0.13 -1.19 0.01 0.00 1.01 0.00 0.00 57.45 57.15 3hb9 n PHE 183 Cb 0.47 -0.62 -0.01 0.00 -0.01 0.00 0.00 39.48 39.30 3hb9 n PHE 183 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hb9 n ALA 184 N -0.37 2.10 0.03 4.37 0.00 -1.14 -4.22 120.51 121.28 3hb9 n ALA 184 Ca 0.33 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 3hb9 n ALA 184 Cb 1.14 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.56 3hb9 n ALA 184 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hb9 h GLU 185 N 0.00 0.48 0.00 0.00 5.08 -1.47 -3.39 114.58 115.28 3hb9 h GLU 185 Ca 0.00 -0.39 -0.21 0.00 -1.00 0.00 0.00 59.36 57.76 3hb9 h GLU 185 Cb 0.06 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3hb9 h GLU 185 CO 0.00 1.02 -1.80 -0.85 -1.00 0.00 0.00 179.01 176.38 3hb9 n GLU 186 N -3.86 1.67 -2.82 2.33 -0.00 -1.26 -4.83 120.64 111.86 3hb9 n GLU 186 Ca -0.05 0.02 -0.43 0.00 -0.00 0.00 0.00 57.16 56.70 3hb9 n GLU 186 Cb 0.71 -1.29 -0.02 0.00 -0.00 0.00 0.00 31.44 30.83 3hb9 n GLU 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hb9 s ALA 187 N -2.28 3.30 0.00 -1.84 0.00 -1.26 -4.97 121.76 114.72 3hb9 s ALA 187 Ca -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.12 3hb9 s ALA 187 Cb 0.04 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.94 3hb9 s ALA 187 CO 0.43 -3.12 0.00 0.41 0.00 0.00 0.00 175.76 173.48 3hb9 n GLY 188 N 5.61 1.20 2.08 0.00 0.00 -1.26 -4.77 105.19 108.06 3hb9 n GLY 188 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hb9 n GLY 188 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hb9 n PHE 189 N 3.21 -2.96 -1.55 1.61 -0.00 -1.26 -4.77 117.46 111.73 3hb9 n PHE 189 Ca 0.00 0.75 -0.27 0.00 -0.00 0.00 0.00 57.45 57.92 3hb9 n PHE 189 Cb 0.00 1.71 -0.06 0.00 -0.00 0.00 0.00 39.48 41.13 3hb9 n PHE 189 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3hb9 n PRO 190 N -3.26 0.79 -4.48 -7.13 -0.02 -1.26 -4.63 135.00 115.01 3hb9 n PRO 190 Ca 0.00 -0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 60.93 3hb9 n PRO 190 Cb 0.00 -3.41 -0.11 0.00 -0.02 0.00 0.00 33.50 29.97 3hb9 n PRO 190 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hb9 s LEU 191 N 12.82 2.38 -0.06 2.45 1.43 0.91 -2.14 118.68 136.47 3hb9 s LEU 191 Ca 0.99 -1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3hb9 s LEU 191 Cb -0.22 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.49 3hb9 s LEU 191 CO 0.21 -0.52 -0.02 -0.32 0.23 0.00 0.00 176.35 175.93 3hb9 s MET 192 N -3.82 0.68 -0.22 1.70 -2.45 0.12 0.02 119.30 115.32 3hb9 s MET 192 Ca 0.35 0.02 -0.18 0.00 -1.25 0.00 0.00 55.69 54.62 3hb9 s MET 192 Cb 0.08 -0.89 -0.03 0.00 1.25 0.00 0.00 34.83 35.24 3hb9 s MET 192 CO 0.15 -0.20 0.51 -1.50 1.05 0.00 0.00 175.02 175.03 3hb9 s ILE 193 N 1.48 5.09 0.00 10.11 -1.16 -0.24 -0.79 121.20 135.70 3hb9 s ILE 193 Ca -0.02 0.91 0.01 0.00 -0.51 0.00 0.00 60.65 61.04 3hb9 s ILE 193 Cb -0.13 -3.83 -0.00 0.00 0.61 0.00 0.00 42.46 39.10 3hb9 s ILE 193 CO -0.03 0.14 -0.02 -1.59 -2.81 0.00 0.00 174.94 170.63 3hb9 s LYS 194 N 1.90 0.19 0.09 3.50 -2.85 0.13 -0.67 119.74 122.03 3hb9 s LYS 194 Ca 0.23 -0.16 -0.02 0.00 -1.00 0.00 0.00 55.97 55.02 3hb9 s LYS 194 Cb -0.15 -0.12 0.02 0.00 -2.06 0.00 0.00 37.83 35.51 3hb9 s LYS 194 CO 0.09 0.03 0.11 0.00 0.10 0.00 0.00 175.35 175.69 3hb9 n ALA 195 N 2.79 -0.18 -2.65 0.59 0.00 -1.03 -1.42 120.51 118.61 3hb9 n ALA 195 Ca -0.14 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 3hb9 n ALA 195 Cb 0.59 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3hb9 n ALA 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hb9 s THR 196 N -1.24 4.08 -1.48 0.00 2.01 -1.20 -4.62 115.64 113.18 3hb9 s THR 196 Ca 0.07 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 3hb9 s THR 196 Cb -0.00 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.84 3hb9 s THR 196 CO 0.05 0.59 0.51 -1.54 -0.69 0.00 0.00 174.62 173.54 3hb9 n SER 197 N 2.12 -1.13 -4.76 3.53 3.41 -1.26 -4.92 113.62 110.61 3hb9 n SER 197 Ca -0.18 -1.01 -0.38 0.00 -0.26 0.00 0.00 58.87 57.04 3hb9 n SER 197 Cb 0.53 -2.98 0.01 0.00 -0.26 0.00 0.00 64.21 61.52 3hb9 n SER 197 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hb9 s GLY 198 N -4.08 2.86 0.00 5.00 0.00 -1.26 -5.01 107.32 104.83 3hb9 s GLY 198 Ca 0.20 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.10 3hb9 s GLY 198 CO 0.90 1.70 0.00 0.61 0.00 0.00 0.00 173.10 176.31 3hb9 n GLY 199 N 0.61 0.30 0.00 0.20 0.00 -1.26 -5.04 105.19 100.00 3hb9 n GLY 199 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hb9 n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 200 N 2.22 1.92 1.28 -0.02 0.00 -1.26 -4.95 105.19 104.39 3hb9 n GLY 200 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3hb9 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb9 n GLY 201 N 5.00 1.45 0.11 -0.02 0.00 -1.25 -4.31 105.19 106.17 3hb9 n GLY 201 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3hb9 n GLY 201 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hb9 h LYS 202 N 1.32 -0.19 0.00 1.61 6.56 -1.93 -3.36 116.57 120.58 3hb9 h LYS 202 Ca 0.00 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 3hb9 h LYS 202 Cb 0.62 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 3hb9 h LYS 202 CO 0.00 -0.13 -0.08 0.78 -2.06 0.00 0.00 179.45 177.97 3hb9 h GLY 203 N -0.88 0.00 -2.05 3.86 0.00 -1.88 -3.44 103.07 98.68 3hb9 h GLY 203 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.85 3hb9 h GLY 203 CO 0.03 0.00 0.37 1.06 0.00 0.00 0.00 176.54 178.01 3hb9 s MET 204 N -4.36 3.91 -0.29 4.80 -1.94 -1.26 -2.47 119.30 117.70 3hb9 s MET 204 Ca -0.04 1.28 -0.15 0.00 -1.71 0.00 0.00 55.69 55.07 3hb9 s MET 204 Cb 0.14 -2.12 0.12 0.00 2.01 0.00 0.00 34.83 34.98 3hb9 s MET 204 CO 0.57 -0.33 0.85 0.50 -0.01 0.00 0.00 175.02 176.60 3hb9 s ARG 205 N -3.26 0.50 0.06 2.03 3.52 0.16 -4.94 118.95 117.01 3hb9 s ARG 205 Ca 0.65 0.92 -0.19 0.00 -0.13 0.00 0.00 55.73 56.99 3hb9 s ARG 205 Cb -0.14 0.19 -0.07 0.00 -1.56 0.00 0.00 34.95 33.38 3hb9 s ARG 205 CO 0.19 -0.12 0.55 0.96 -0.81 0.00 0.00 175.30 176.08 3hb9 s ILE 206 N 1.66 4.77 -0.14 4.11 -0.00 -1.26 -1.08 121.20 129.26 3hb9 s ILE 206 Ca -0.09 1.18 0.01 0.00 -0.00 0.00 0.00 60.65 61.75 3hb9 s ILE 206 Cb -0.05 -3.88 0.02 0.00 -0.00 0.00 0.00 42.46 38.55 3hb9 s ILE 206 CO -0.17 0.55 -0.15 -0.69 -0.00 0.00 0.00 174.94 174.48 3hb9 s VAL 207 N -1.07 1.59 0.00 8.37 1.01 0.10 -4.95 120.40 125.46 3hb9 s VAL 207 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3hb9 s VAL 207 Cb -0.19 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3hb9 s VAL 207 CO 0.18 0.46 0.00 0.54 0.00 0.00 0.00 175.10 176.29 3hb9 n ARG 208 N 4.65 0.00 -2.34 2.72 1.74 -1.26 -0.06 116.66 122.10 3hb9 n ARG 208 Ca -0.18 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.66 3hb9 n ARG 208 Cb 0.50 -0.10 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 3hb9 n ARG 208 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hb9 s GLU 209 N -0.96 2.27 0.84 5.56 2.56 -1.26 -4.22 118.70 123.49 3hb9 s GLU 209 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 54.97 54.41 3hb9 s GLU 209 Cb 0.00 -2.27 0.10 0.00 2.00 0.00 0.00 34.13 33.96 3hb9 s GLU 209 CO 0.00 -1.10 1.09 -2.00 -0.56 0.00 0.00 175.26 172.69 3hb9 s GLU 210 N -5.10 1.72 0.00 4.30 2.12 -1.26 -3.51 118.70 116.97 3hb9 s GLU 210 Ca 0.60 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.92 3hb9 s GLU 210 Cb -0.10 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.44 3hb9 s GLU 210 CO 0.43 -1.97 0.00 0.43 -0.54 0.00 0.00 175.26 173.61 3hb9 n SER 211 N -3.72 0.00 0.01 -1.70 7.64 -1.26 -4.73 113.62 109.86 3hb9 n SER 211 Ca 0.08 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.07 3hb9 n SER 211 Cb 0.54 -1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 62.16 3hb9 n SER 211 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hb9 n GLU 212 N -2.00 0.50 0.28 1.43 1.02 -1.23 -3.97 120.64 116.68 3hb9 n GLU 212 Ca 0.00 -0.11 0.18 0.00 -0.02 0.00 0.00 57.16 57.21 3hb9 n GLU 212 Cb 0.00 -1.56 0.84 0.00 -0.02 0.00 0.00 31.44 30.70 3hb9 n GLU 212 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hb9 h LEU 213 N 0.00 0.00 0.50 -4.62 5.85 -1.85 -3.08 115.31 112.10 3hb9 h LEU 213 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hb9 h LEU 213 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3hb9 h LEU 213 CO 0.00 0.00 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.53 3hb9 h GLU 214 N 0.00 -0.64 0.03 1.25 5.08 -1.97 -3.29 114.58 115.04 3hb9 h GLU 214 Ca 0.00 0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3hb9 h GLU 214 Cb 0.31 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3hb9 h GLU 214 CO 0.00 -0.43 -1.00 -0.44 -1.00 0.00 0.00 179.01 176.14 3hb9 h ASP 215 N -0.89 0.16 -0.34 1.42 3.32 -1.79 -3.34 116.42 114.96 3hb9 h ASP 215 Ca -0.07 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3hb9 h ASP 215 Cb 0.51 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3hb9 h ASP 215 CO 0.11 1.06 0.20 0.00 -1.72 0.00 0.00 179.24 178.89 3hb9 h ALA 216 N 0.92 0.44 -0.34 3.45 0.00 -1.70 -2.53 119.26 119.50 3hb9 h ALA 216 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hb9 h ALA 216 Cb 1.70 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 3hb9 h ALA 216 CO 0.14 -0.06 -0.09 0.35 0.00 0.00 0.00 179.25 179.60 3hb9 h PHE 217 N 0.44 -0.20 -0.19 0.00 3.57 -1.68 -0.71 116.94 118.16 3hb9 h PHE 217 Ca 0.12 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 3hb9 h PHE 217 Cb 0.03 0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.92 3hb9 h PHE 217 CO -0.04 -0.16 -0.70 0.45 -2.23 0.00 0.00 178.31 175.63 3hb9 h HIS 218 N -0.01 1.08 -0.85 0.41 3.86 -1.74 -2.05 115.15 115.83 3hb9 h HIS 218 Ca 0.16 -0.45 0.10 0.00 -1.16 0.00 0.00 60.37 59.02 3hb9 h HIS 218 Cb 0.26 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 3hb9 h HIS 218 CO -0.32 1.28 0.49 0.00 0.86 0.00 0.00 177.93 180.25 3hb9 h ARG 219 N 0.57 0.79 -0.22 2.45 2.47 -1.12 0.31 114.38 119.63 3hb9 h ARG 219 Ca -0.03 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.44 3hb9 h ARG 219 Cb 1.33 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3hb9 h ARG 219 CO 0.15 0.52 -0.64 0.00 0.56 0.00 0.00 179.97 180.56 3hb9 h ALA 220 N 1.47 0.44 -0.20 0.04 0.00 -1.12 -2.19 119.26 117.70 3hb9 h ALA 220 Ca 0.42 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3hb9 h ALA 220 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hb9 h ALA 220 CO -0.26 0.69 -0.46 -0.22 0.00 0.00 0.00 179.25 179.00 3hb9 h LYS 221 N 0.59 0.66 -0.02 0.00 3.64 -0.73 -0.46 116.57 120.25 3hb9 h LYS 221 Ca -0.01 -0.45 -0.17 0.00 -1.27 0.00 0.00 60.65 58.76 3hb9 h LYS 221 Cb 1.25 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3hb9 h LYS 221 CO 0.14 1.07 -0.74 0.66 -2.27 0.00 0.00 179.45 178.31 3hb9 h SER 222 N 0.35 0.18 0.60 4.20 4.64 -0.51 -2.91 113.55 120.10 3hb9 h SER 222 Ca -0.00 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.04 3hb9 h SER 222 Cb 1.07 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3hb9 h SER 222 CO 0.10 0.85 -0.68 -0.08 -0.87 0.00 0.00 176.83 176.16 3hb9 h GLU 223 N 0.10 0.07 -0.57 4.77 4.81 -1.39 -2.90 114.58 119.47 3hb9 h GLU 223 Ca -0.02 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3hb9 h GLU 223 Cb 1.30 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3hb9 h GLU 223 CO 0.11 0.72 0.09 0.00 -0.73 0.00 0.00 179.01 179.19 3hb9 h ALA 224 N 1.27 0.76 -0.49 2.92 0.00 -0.98 -1.45 119.26 121.28 3hb9 h ALA 224 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3hb9 h ALA 224 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hb9 h ALA 224 CO 0.09 0.51 0.20 1.49 0.00 0.00 0.00 179.25 181.55 3hb9 h GLU 225 N 0.84 0.74 -0.02 0.00 4.57 -1.52 0.24 114.58 119.43 3hb9 h GLU 225 Ca 0.17 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3hb9 h GLU 225 Cb 0.43 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3hb9 h GLU 225 CO 0.01 0.65 0.00 1.63 -1.18 0.00 0.00 179.01 180.12 3hb9 n LYS 226 N -4.57 1.18 -0.01 1.92 5.02 -1.10 -4.01 118.16 116.60 3hb9 n LYS 226 Ca 0.02 -0.27 -0.05 0.00 -2.02 0.00 0.00 58.31 55.99 3hb9 n LYS 226 Cb 0.15 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3hb9 n LYS 226 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hb9 n SER 227 N -0.61 1.08 0.00 4.39 7.64 -0.56 -5.06 113.62 120.51 3hb9 n SER 227 Ca 0.19 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3hb9 n SER 227 Cb 0.16 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3hb9 n SER 227 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hb9 n PHE 228 N -3.64 0.00 0.00 1.43 3.01 0.82 -5.09 117.46 113.99 3hb9 n PHE 228 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3hb9 n PHE 228 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3hb9 n PHE 228 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 229 N 5.00 1.27 1.23 1.37 0.00 -1.26 -4.69 105.19 108.11 3hb9 n GLY 229 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3hb9 n GLY 229 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hb9 n ASN 230 N -0.24 -0.18 -1.25 1.61 6.94 -1.26 -4.55 115.26 116.32 3hb9 n ASN 230 Ca 0.00 -1.09 0.04 0.00 -0.02 0.00 0.00 54.58 53.52 3hb9 n ASN 230 Cb 0.00 -0.33 0.06 0.00 -2.36 0.00 0.00 39.78 37.16 3hb9 n ASN 230 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3hb9 n SER 231 N -3.33 1.14 -4.56 0.53 3.41 -1.26 -3.81 113.62 105.74 3hb9 n SER 231 Ca 0.05 -2.44 -0.39 0.00 -0.26 0.00 0.00 58.87 55.83 3hb9 n SER 231 Cb 0.19 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3hb9 n SER 231 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hb9 s GLU 232 N -0.76 2.70 -0.17 4.33 0.41 -1.26 -4.89 118.70 119.06 3hb9 s GLU 232 Ca 0.34 0.97 0.01 0.00 -0.41 0.00 0.00 54.97 55.88 3hb9 s GLU 232 Cb 0.37 -4.38 0.02 0.00 -1.78 0.00 0.00 34.13 28.36 3hb9 s GLU 232 CO -0.14 -2.62 -0.18 0.14 -0.49 0.00 0.00 175.26 171.97 3hb9 s VAL 233 N 9.13 1.90 0.55 2.63 -7.23 -1.26 -3.25 120.40 122.88 3hb9 s VAL 233 Ca 0.76 -0.86 0.08 0.00 -1.81 0.00 0.00 61.98 60.15 3hb9 s VAL 233 Cb -0.16 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 35.09 3hb9 s VAL 233 CO 0.25 0.49 0.59 -0.72 -0.31 0.00 0.00 175.10 175.40 3hb9 s TYR 234 N 1.35 1.57 -0.04 2.82 -0.85 -0.50 -2.27 117.35 119.43 3hb9 s TYR 234 Ca 0.05 -0.77 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 3hb9 s TYR 234 Cb -0.13 -2.07 0.02 0.00 0.38 0.00 0.00 41.96 40.16 3hb9 s TYR 234 CO -0.12 -0.79 -0.06 -1.50 -1.52 0.00 0.00 175.55 171.57 3hb9 s ILE 235 N -2.71 0.60 0.26 -3.49 2.07 -1.26 0.18 121.20 116.85 3hb9 s ILE 235 Ca 0.48 -0.18 0.03 0.00 -1.41 0.00 0.00 60.65 59.57 3hb9 s ILE 235 Cb -0.04 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 3hb9 s ILE 235 CO 0.30 0.23 0.04 -1.83 -1.91 0.00 0.00 174.94 171.77 3hb9 s GLU 236 N 0.77 1.43 0.07 3.50 -1.05 0.03 -1.86 118.70 121.59 3hb9 s GLU 236 Ca -0.11 -1.76 -0.31 0.00 -0.15 0.00 0.00 54.97 52.64 3hb9 s GLU 236 Cb -0.14 -0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 32.92 3hb9 s GLU 236 CO 0.01 -0.18 1.46 0.50 0.95 0.00 0.00 175.26 178.00 3hb9 s ARG 237 N -3.92 4.27 -0.22 -4.83 3.52 -1.26 0.12 118.95 116.63 3hb9 s ARG 237 Ca 0.33 2.11 -0.28 0.00 -0.13 0.00 0.00 55.73 57.76 3hb9 s ARG 237 Cb 0.07 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3hb9 s ARG 237 CO 0.12 -0.56 0.99 -0.47 -0.81 0.00 0.00 175.30 174.57 3hb9 s TYR 238 N 1.87 3.36 -0.25 5.12 5.04 -0.91 -4.72 117.35 126.85 3hb9 s TYR 238 Ca 0.67 1.42 -0.10 0.00 -2.44 0.00 0.00 57.07 56.61 3hb9 s TYR 238 Cb -0.36 -3.22 -0.05 0.00 0.35 0.00 0.00 41.96 38.68 3hb9 s TYR 238 CO 0.29 -0.43 0.16 0.42 -1.34 0.00 0.00 175.55 174.65 3hb9 s ILE 239 N 2.98 5.30 0.50 3.14 1.09 -1.26 -4.70 121.20 128.24 3hb9 s ILE 239 Ca 0.43 0.16 -0.21 0.00 -1.10 0.00 0.00 60.65 59.93 3hb9 s ILE 239 Cb -0.15 -3.48 -0.07 0.00 -1.06 0.00 0.00 42.46 37.69 3hb9 s ILE 239 CO 0.08 0.32 1.11 -0.62 -0.10 0.00 0.00 174.94 175.73 3hb9 s ASP 240 N 1.25 6.05 -1.28 3.58 2.15 -1.26 -4.08 116.67 123.09 3hb9 s ASP 240 Ca 0.07 2.13 -0.26 0.00 0.43 0.00 0.00 52.55 54.92 3hb9 s ASP 240 Cb -0.14 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.93 3hb9 s ASP 240 CO 0.06 -0.99 0.55 0.59 -0.17 0.00 0.00 175.17 175.22 3hb9 n ASN 241 N -0.95 -3.10 -4.92 -0.34 3.02 -1.26 -4.96 115.26 102.75 3hb9 n ASN 241 Ca 0.10 -1.27 -0.26 0.00 -0.03 0.00 0.00 54.58 53.12 3hb9 n ASN 241 Cb 0.51 -1.85 0.01 0.00 -0.61 0.00 0.00 39.78 37.84 3hb9 n ASN 241 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hb9 s PRO 242 N -7.29 3.28 -0.17 3.52 0.04 -1.26 -4.82 135.00 128.30 3hb9 s PRO 242 Ca 0.38 -0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 3hb9 s PRO 242 Cb -0.20 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 3hb9 s PRO 242 CO 0.97 -0.33 0.03 0.15 0.04 0.00 0.00 177.00 177.86 3hb9 s LYS 243 N -4.75 3.84 -0.38 4.56 1.02 -0.23 -1.13 119.74 122.67 3hb9 s LYS 243 Ca 0.49 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.86 3hb9 s LYS 243 Cb -0.10 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3hb9 s LYS 243 CO 0.43 0.30 0.78 -1.58 -0.92 0.00 0.00 175.35 174.36 3hb9 s HIS 244 N 0.27 3.09 -0.11 3.18 5.65 -1.26 0.18 115.29 126.30 3hb9 s HIS 244 Ca 0.02 0.50 0.02 0.00 0.25 0.00 0.00 55.06 55.85 3hb9 s HIS 244 Cb -0.13 -3.44 0.01 0.00 -1.18 0.00 0.00 32.58 27.84 3hb9 s HIS 244 CO 0.01 -0.77 -0.18 0.42 -0.65 0.00 0.00 174.74 173.57 3hb9 s ILE 245 N 3.13 1.64 0.10 0.89 -1.09 -0.45 -0.97 121.20 124.45 3hb9 s ILE 245 Ca 0.31 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 58.07 3hb9 s ILE 245 Cb -0.13 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 3hb9 s ILE 245 CO 0.18 0.47 -0.21 -1.83 -1.23 0.00 0.00 174.94 172.31 3hb9 s GLU 246 N 0.79 1.14 -0.11 2.79 -1.05 -0.78 0.19 118.70 121.67 3hb9 s GLU 246 Ca -0.10 -1.18 0.01 0.00 -0.15 0.00 0.00 54.97 53.55 3hb9 s GLU 246 Cb -0.16 -1.42 -0.02 0.00 -0.44 0.00 0.00 34.13 32.10 3hb9 s GLU 246 CO 0.01 0.33 -0.14 0.08 0.95 0.00 0.00 175.26 176.49 3hb9 s VAL 247 N -1.17 2.95 0.11 1.83 1.01 0.19 -0.21 120.40 125.11 3hb9 s VAL 247 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3hb9 s VAL 247 Cb -0.10 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 3hb9 s VAL 247 CO 0.04 0.54 0.99 -1.58 0.00 0.00 0.00 175.10 175.09 3hb9 s GLN 248 N 0.15 4.66 -0.03 2.72 2.00 -0.41 -1.90 119.66 126.85 3hb9 s GLN 248 Ca -0.08 1.49 0.01 0.00 -2.00 0.00 0.00 55.36 54.79 3hb9 s GLN 248 Cb -0.15 -3.37 0.02 0.00 0.80 0.00 0.00 33.01 30.31 3hb9 s GLN 248 CO 0.05 0.15 -0.03 0.08 -0.50 0.00 0.00 175.29 175.05 3hb9 s VAL 249 N 0.11 0.36 -0.09 1.34 1.01 -0.46 -0.58 120.40 122.10 3hb9 s VAL 249 Ca 0.48 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3hb9 s VAL 249 Cb -0.24 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3hb9 s VAL 249 CO 0.30 0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 3hb9 s ILE 250 N 0.87 1.17 0.30 2.22 1.09 -0.38 -0.74 121.20 125.73 3hb9 s ILE 250 Ca -0.10 -0.44 0.10 0.00 -1.10 0.00 0.00 60.65 59.11 3hb9 s ILE 250 Cb -0.13 -1.10 -0.05 0.00 -1.06 0.00 0.00 42.46 40.11 3hb9 s ILE 250 CO -0.01 0.38 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.29 3hb9 s GLY 251 N 1.10 1.93 0.50 6.18 0.00 -0.19 -1.77 107.32 115.07 3hb9 s GLY 251 Ca -0.06 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.83 3hb9 s GLY 251 CO -0.02 -1.91 0.30 0.51 0.00 0.00 0.00 173.10 171.98 3hb9 s ASP 252 N -3.61 4.56 0.39 1.64 3.84 -0.44 -0.24 116.67 122.81 3hb9 s ASP 252 Ca 0.32 -1.22 0.14 0.00 -0.00 0.00 0.00 52.55 51.78 3hb9 s ASP 252 Cb -0.03 0.16 0.81 0.00 -1.38 0.00 0.00 42.92 42.48 3hb9 s ASP 252 CO 0.17 -0.92 1.87 -0.33 -0.00 0.00 0.00 175.17 175.96 3hb9 h GLU 253 N 0.99 0.00 -0.60 2.11 4.39 -1.81 -3.26 114.58 116.40 3hb9 h GLU 253 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3hb9 h GLU 253 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3hb9 h GLU 253 CO 0.62 0.32 0.00 0.72 -1.16 0.00 0.00 179.01 179.51 3hb9 n HIS 254 N -4.10 0.37 -1.80 4.33 8.25 -1.26 -4.85 115.22 116.17 3hb9 n HIS 254 Ca -0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3hb9 n HIS 254 Cb 0.37 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 0.40 0.54 3.11 -1.41 0.00 -1.23 -5.06 105.19 101.54 3hb9 n GLY 255 Ca 0.06 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.90 2.78 -0.05 1.61 -0.87 -1.26 -5.01 114.94 109.24 3hb9 s ASN 256 Ca 0.00 -0.52 0.03 0.00 -1.57 0.00 0.00 52.86 50.81 3hb9 s ASN 256 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.96 3hb9 s ASN 256 CO 0.00 0.04 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.80 3hb9 s ILE 257 N 0.93 1.24 0.06 0.60 -1.09 -1.26 -1.33 121.20 120.35 3hb9 s ILE 257 Ca -0.06 -0.59 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 3hb9 s ILE 257 Cb -0.15 -1.09 -0.03 0.00 -1.58 0.00 0.00 42.46 39.61 3hb9 s ILE 257 CO -0.02 0.37 -0.14 0.68 -1.23 0.00 0.00 174.94 174.60 3hb9 s VAL 258 N 0.28 1.06 0.25 2.92 -7.23 -0.73 -5.00 120.40 111.94 3hb9 s VAL 258 Ca -0.08 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 3hb9 s VAL 258 Cb -0.13 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 3hb9 s VAL 258 CO 0.03 -0.20 0.47 -1.38 -0.31 0.00 0.00 175.10 173.70 3hb9 s HIS 259 N -1.20 3.48 -0.38 2.82 -3.43 -1.26 -1.25 115.29 114.07 3hb9 s HIS 259 Ca -0.02 0.46 0.05 0.00 -0.80 0.00 0.00 55.06 54.75 3hb9 s HIS 259 Cb -0.10 -1.95 0.44 0.00 -1.43 0.00 0.00 32.58 29.54 3hb9 s HIS 259 CO 0.02 0.28 1.26 1.28 -2.00 0.00 0.00 174.74 175.57 3hb9 n LEU 260 N -0.85 5.15 0.00 5.38 4.77 0.26 -4.95 117.00 126.76 3hb9 n LEU 260 Ca -0.04 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.09 3hb9 n LEU 260 Cb 0.54 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hb9 n LEU 260 CO 0.48 2.09 0.00 0.49 -1.33 0.00 0.00 177.39 179.12 3hb9 n PHE 261 N -0.65 -1.63 -4.19 -1.77 3.01 -1.26 -4.63 117.46 106.34 3hb9 n PHE 261 Ca 0.44 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.66 3hb9 n PHE 261 Cb 0.83 0.22 -0.06 0.00 -0.01 0.00 0.00 39.48 40.46 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 2.59 -0.14 -1.08 4.04 -1.26 -1.28 118.70 121.56 3hb9 s GLU 262 Ca 0.00 -1.13 0.02 0.00 0.04 0.00 0.00 54.97 53.90 3hb9 s GLU 262 Cb 0.00 -2.41 0.02 0.00 0.02 0.00 0.00 34.13 31.76 3hb9 s GLU 262 CO 0.00 0.42 -0.18 1.03 -1.84 0.00 0.00 175.26 174.69 3hb9 s ARG 263 N -3.37 2.67 -0.11 -4.83 0.52 0.70 -4.12 118.95 110.41 3hb9 s ARG 263 Ca 0.30 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 3hb9 s ARG 263 Cb -0.08 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3hb9 s ARG 263 CO 0.21 -0.11 1.08 0.34 0.02 0.00 0.00 175.30 176.85 3hb9 s ASP 264 N 1.08 7.15 -0.13 0.23 3.68 0.19 -1.86 116.67 127.01 3hb9 s ASP 264 Ca -0.02 1.60 0.16 0.00 2.13 0.00 0.00 52.55 56.41 3hb9 s ASP 264 Cb -0.14 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.18 3hb9 s ASP 264 CO -0.06 -0.54 1.20 0.00 0.13 0.00 0.00 175.17 175.91 3hb9 h SER 266 N 0.94 0.11 -0.93 0.00 0.02 -1.78 -3.41 113.55 108.50 3hb9 h SER 266 Ca -0.08 -0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.56 3hb9 h SER 266 Cb 1.31 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 3hb9 h SER 266 CO 0.03 0.40 0.75 -0.69 -1.14 0.00 0.00 176.83 176.19 3hb9 s VAL 267 N -4.39 3.30 -0.01 2.27 1.01 -1.25 -3.75 120.40 117.57 3hb9 s VAL 267 Ca -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3hb9 s VAL 267 Cb 0.15 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3hb9 s VAL 267 CO 0.73 -0.67 -0.08 -1.10 0.00 0.00 0.00 175.10 173.98 3hb9 s GLN 268 N 7.52 0.78 -0.15 2.72 -0.21 -1.26 -1.38 119.66 127.68 3hb9 s GLN 268 Ca 0.76 -0.29 -0.20 0.00 0.02 0.00 0.00 55.36 55.65 3hb9 s GLN 268 Cb -0.10 -0.75 -0.18 0.00 1.00 0.00 0.00 33.01 32.98 3hb9 s GLN 268 CO 0.07 0.15 0.42 0.07 -2.12 0.00 0.00 175.29 173.88 3hb9 h ARG 269 N 6.13 0.00 0.00 2.91 0.11 -1.87 -3.37 114.38 118.29 3hb9 h ARG 269 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3hb9 h ARG 269 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3hb9 h ARG 269 CO 0.49 0.74 0.00 0.54 0.10 0.00 0.00 179.97 181.84 3hb9 n ARG 270 N -4.60 0.00 -0.21 0.08 5.12 -1.26 -4.68 116.66 111.11 3hb9 n ARG 270 Ca -0.13 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.82 3hb9 n ARG 270 Cb 0.43 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.77 3hb9 n ARG 270 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hb9 n HIS 271 N 0.00 0.00 -3.57 -1.55 8.25 -1.26 -5.02 115.22 112.07 3hb9 n HIS 271 Ca 0.00 -0.37 -0.36 0.00 -0.26 0.00 0.00 57.72 56.73 3hb9 n HIS 271 Cb 0.00 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.96 3hb9 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3hb9 s GLN 272 N -1.00 4.22 0.15 -0.41 0.74 -1.26 -3.96 119.66 118.15 3hb9 s GLN 272 Ca 0.10 0.01 -0.31 0.00 0.05 0.00 0.00 55.36 55.20 3hb9 s GLN 272 Cb 0.08 -3.45 -0.10 0.00 1.10 0.00 0.00 33.01 30.65 3hb9 s GLN 272 CO 0.01 0.19 1.53 0.15 -0.55 0.00 0.00 175.29 176.62 3hb9 s LYS 273 N 0.62 4.24 -0.11 1.67 1.02 -1.26 -3.35 119.74 122.57 3hb9 s LYS 273 Ca 0.14 2.30 -0.06 0.00 0.02 0.00 0.00 55.97 58.37 3hb9 s LYS 273 Cb -0.13 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 3hb9 s LYS 273 CO 0.03 -0.57 -0.15 0.28 -0.92 0.00 0.00 175.35 174.02 3hb9 n VAL 274 N 3.97 0.75 -4.54 3.17 0.31 -0.48 -4.98 118.33 116.53 3hb9 n VAL 274 Ca 0.13 -0.11 -0.27 0.00 -0.01 0.00 0.00 64.34 64.09 3hb9 n VAL 274 Cb 0.39 -1.70 -0.17 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.24 1.35 -0.02 2.52 1.01 -1.10 -4.24 120.40 117.68 3hb9 s VAL 275 Ca -0.16 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3hb9 s VAL 275 Cb 0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3hb9 s VAL 275 CO 0.21 0.41 -0.23 -1.61 0.00 0.00 0.00 175.10 173.87 3hb9 s GLU 276 N 0.84 2.18 -0.04 2.72 8.01 -1.03 -3.95 118.70 127.43 3hb9 s GLU 276 Ca -0.10 -0.89 0.05 0.00 0.01 0.00 0.00 54.97 54.04 3hb9 s GLU 276 Cb -0.15 -2.12 -0.01 0.00 -4.31 0.00 0.00 34.13 27.54 3hb9 s GLU 276 CO 0.01 0.57 -0.19 0.08 0.01 0.00 0.00 175.26 175.75 3hb9 s VAL 277 N -0.66 1.54 -0.03 2.63 1.01 0.25 -0.94 120.40 124.20 3hb9 s VAL 277 Ca 0.11 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3hb9 s VAL 277 Cb -0.10 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3hb9 s VAL 277 CO -0.00 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 3hb9 s ALA 278 N -0.10 0.74 1.02 5.51 0.00 -0.42 0.54 121.76 129.05 3hb9 s ALA 278 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 3hb9 s ALA 278 Cb -0.11 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.76 3hb9 s ALA 278 CO 0.02 0.08 0.42 -0.35 0.00 0.00 0.00 175.76 175.93 3hb9 n PRO 279 N 3.56 -0.72 -2.38 0.00 -0.04 -1.26 -0.71 135.00 133.45 3hb9 n PRO 279 Ca -0.21 -0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 62.21 3hb9 n PRO 279 Cb 0.53 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.49 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 -2.58 6.91 -0.05 3.54 0.15 -1.26 -4.70 113.70 115.71 3hb9 s SER 280 Ca 0.25 2.31 -0.02 0.00 0.70 0.00 0.00 55.95 59.19 3hb9 s SER 280 Cb -0.01 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3hb9 s SER 280 CO 0.18 -0.40 0.07 -0.69 1.20 0.00 0.00 173.24 173.60 3hb9 s VAL 281 N -1.31 4.77 0.00 4.45 1.01 -1.26 -4.62 120.40 123.44 3hb9 s VAL 281 Ca 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3hb9 s VAL 281 Cb -0.31 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3hb9 s VAL 281 CO 0.40 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.58 3hb9 n GLY 282 N 1.58 2.74 3.76 4.51 0.00 -1.26 -4.64 105.19 111.88 3hb9 n GLY 282 Ca -0.16 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 4.43 0.55 0.99 1.43 -1.26 -4.99 118.68 119.83 3hb9 s LEU 283 Ca 0.00 2.59 -0.21 0.00 -1.03 0.00 0.00 54.13 55.48 3hb9 s LEU 283 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3hb9 s LEU 283 CO 0.00 -0.52 1.25 -0.94 0.23 0.00 0.00 176.35 176.37 3hb9 s SER 284 N -0.23 5.39 0.25 2.29 1.04 -1.26 -4.86 113.70 116.33 3hb9 s SER 284 Ca 0.52 2.51 -0.05 0.00 0.48 0.00 0.00 55.95 59.41 3hb9 s SER 284 Cb -0.39 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.60 3hb9 s SER 284 CO 0.47 -1.46 1.66 1.55 0.98 0.00 0.00 173.24 176.44 3hb9 h PRO 285 N 1.31 0.19 -0.20 4.02 0.13 -2.00 -1.76 132.00 133.68 3hb9 h PRO 285 Ca -0.50 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 3hb9 h PRO 285 Cb 1.29 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hb9 h PRO 285 CO 0.57 0.12 -0.35 1.79 -0.23 0.00 0.00 178.00 179.90 3hb9 h THR 286 N 0.19 1.29 -0.28 1.56 1.35 -1.99 -2.04 112.91 112.99 3hb9 h THR 286 Ca 0.43 -1.44 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3hb9 h THR 286 Cb 0.76 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3hb9 h THR 286 CO -0.58 0.45 0.10 0.25 -0.25 0.00 0.00 175.52 175.48 3hb9 h LEU 287 N 0.36 0.40 -1.48 3.87 6.46 -1.70 -0.80 115.31 122.42 3hb9 h LEU 287 Ca 0.04 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3hb9 h LEU 287 Cb 0.79 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3hb9 h LEU 287 CO 0.06 0.49 -0.16 0.03 -0.62 0.00 0.00 178.44 178.24 3hb9 h ARG 288 N 0.30 0.13 -0.24 1.25 3.08 -1.34 -1.78 114.38 115.77 3hb9 h ARG 288 Ca 0.09 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 3hb9 h ARG 288 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hb9 h ARG 288 CO -0.00 0.30 -0.63 0.37 -1.07 0.00 0.00 179.97 178.93 3hb9 h GLN 289 N 0.12 0.86 -0.25 0.04 5.75 -0.90 -2.55 115.11 118.19 3hb9 h GLN 289 Ca 0.02 -0.60 -0.17 0.00 -0.15 0.00 0.00 58.65 57.75 3hb9 h GLN 289 Cb 0.37 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 3hb9 h GLN 289 CO 0.02 1.22 -0.53 0.00 -2.65 0.00 0.00 178.83 176.89 3hb9 h ARG 290 N 0.63 0.75 -0.35 1.69 3.08 -0.94 -1.05 114.38 118.19 3hb9 h ARG 290 Ca -0.01 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 3hb9 h ARG 290 Cb 1.25 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3hb9 h ARG 290 CO 0.14 1.09 0.11 0.82 -1.07 0.00 0.00 179.97 181.06 3hb9 h ILE 291 N 0.58 1.21 -0.47 2.04 2.04 -1.36 0.65 117.51 122.19 3hb9 h ILE 291 Ca 0.02 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.08 3hb9 h ILE 291 Cb 1.11 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3hb9 h ILE 291 CO 0.11 0.23 -0.17 0.00 0.00 0.00 0.00 178.15 178.33 3hb9 h ASP 293 N 0.80 0.78 -0.58 0.00 3.32 -1.02 -2.25 116.42 117.47 3hb9 h ASP 293 Ca 0.11 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3hb9 h ASP 293 Cb 0.74 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3hb9 h ASP 293 CO 0.06 0.50 0.29 0.00 -1.72 0.00 0.00 179.24 178.37 3hb9 h ALA 294 N 1.38 1.37 -0.45 3.45 0.00 -0.68 -2.13 119.26 122.21 3hb9 h ALA 294 Ca 0.35 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3hb9 h ALA 294 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hb9 h ALA 294 CO -0.16 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 3hb9 h ALA 295 N 1.47 0.83 0.05 0.00 0.00 -0.96 -2.93 119.26 117.72 3hb9 h ALA 295 Ca 0.21 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hb9 h ALA 295 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hb9 h ALA 295 CO -0.03 0.65 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 3hb9 h ILE 296 N 0.77 1.24 0.00 0.00 1.08 -1.13 -2.24 117.51 117.23 3hb9 h ILE 296 Ca 0.11 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3hb9 h ILE 296 Cb 0.71 1.89 -0.00 0.00 -3.07 0.00 0.00 36.82 36.36 3hb9 h ILE 296 CO 0.05 0.25 -0.02 0.06 -0.69 0.00 0.00 178.15 177.81 3hb9 h GLN 297 N -0.52 0.00 0.00 2.37 3.07 -1.43 0.81 115.11 119.42 3hb9 h GLN 297 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 3hb9 h GLN 297 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.02 3hb9 h GLN 297 CO 0.01 0.02 -0.00 1.25 0.09 0.00 0.00 178.83 180.20 3hb9 h LEU 298 N 0.00 -0.00 -0.37 0.06 5.85 -1.52 -3.16 115.31 116.16 3hb9 h LEU 298 Ca -0.00 -0.89 -0.18 0.00 0.84 0.00 0.00 57.88 57.65 3hb9 h LEU 298 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3hb9 h LEU 298 CO 0.00 0.91 -0.57 0.24 -0.34 0.00 0.00 178.44 178.69 3hb9 h MET 299 N -0.95 0.74 -0.27 1.25 2.86 -0.68 -3.03 114.93 114.85 3hb9 h MET 299 Ca -0.00 -0.48 -0.11 0.00 -2.06 0.00 0.00 59.70 57.05 3hb9 h MET 299 Cb 0.89 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3hb9 h MET 299 CO 0.00 1.10 -0.28 1.49 1.06 0.00 0.00 176.91 180.29 3hb9 h GLU 300 N 0.56 0.54 -0.57 1.72 4.81 0.41 -0.45 114.58 121.61 3hb9 h GLU 300 Ca 0.01 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3hb9 h GLU 300 Cb 1.16 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3hb9 h GLU 300 CO 0.12 0.77 0.34 -0.97 -0.73 0.00 0.00 179.01 178.54 3hb9 h ASN 301 N 0.47 0.55 -0.66 1.04 -1.24 -1.49 -2.69 115.58 111.56 3hb9 h ASN 301 Ca 0.06 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3hb9 h ASN 301 Cb 0.73 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3hb9 h ASN 301 CO 0.06 0.39 0.00 2.30 -1.29 0.00 0.00 177.43 178.88 3hb9 n ILE 302 N -4.77 1.47 -3.73 2.57 -6.64 -1.16 -4.99 119.36 102.11 3hb9 n ILE 302 Ca 0.05 -1.12 -0.27 0.00 -1.77 0.00 0.00 62.75 59.63 3hb9 n ILE 302 Cb 0.08 0.29 0.01 0.00 -1.44 0.00 0.00 39.64 38.59 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 1.27 -1.16 -2.03 6.28 5.02 -0.44 -4.88 118.16 122.22 3hb9 n LYS 303 Ca 0.24 0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 56.78 3hb9 n LYS 303 Cb 0.76 -3.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.56 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 -3.20 2.99 -0.07 2.13 6.14 -0.31 -5.00 117.35 120.03 3hb9 s TYR 304 Ca 0.20 1.17 0.00 0.00 0.64 0.00 0.00 57.07 59.09 3hb9 s TYR 304 Cb -0.09 -3.79 -0.03 0.00 0.42 0.00 0.00 41.96 38.47 3hb9 s TYR 304 CO 0.89 -2.41 -0.05 0.08 0.64 0.00 0.00 175.55 174.69 3hb9 s VAL 305 N -0.48 3.85 0.00 3.14 1.01 -1.26 -4.44 120.40 122.21 3hb9 s VAL 305 Ca 0.55 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3hb9 s VAL 305 Cb -0.41 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3hb9 s VAL 305 CO 0.48 0.60 0.00 -3.20 0.00 0.00 0.00 175.10 172.98 3hb9 n ASN 306 N 2.20 -1.43 -4.75 3.32 2.85 0.67 -3.65 115.26 114.47 3hb9 n ASN 306 Ca -0.18 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 53.90 3hb9 n ASN 306 Cb 0.53 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.50 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 -1.42 3.44 0.12 5.20 0.00 -1.26 -1.02 121.76 126.82 3hb9 s ALA 307 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 3hb9 s ALA 307 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.33 3hb9 s ALA 307 CO 0.00 0.12 0.43 0.20 0.00 0.00 0.00 175.76 176.51 3hb9 s GLY 308 N -0.09 -0.32 -0.06 0.00 0.00 0.08 -3.17 107.32 103.77 3hb9 s GLY 308 Ca 0.34 0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.15 3hb9 s GLY 308 CO 0.19 -0.22 -0.21 -1.59 0.00 0.00 0.00 173.10 171.26 3hb9 s THR 309 N -3.69 1.78 -0.26 0.90 2.01 0.15 -1.35 115.64 115.18 3hb9 s THR 309 Ca 0.02 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 3hb9 s THR 309 Cb 0.01 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3hb9 s THR 309 CO -0.11 0.50 0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 3hb9 s VAL 310 N 0.01 4.27 -0.06 3.82 1.01 -0.80 -0.86 120.40 127.80 3hb9 s VAL 310 Ca -0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3hb9 s VAL 310 Cb -0.13 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3hb9 s VAL 310 CO 0.04 0.28 0.33 -1.61 0.00 0.00 0.00 175.10 174.14 3hb9 s GLU 311 N 1.60 3.87 0.19 2.72 2.02 0.65 -0.63 118.70 129.11 3hb9 s GLU 311 Ca 0.06 0.23 0.06 0.00 0.02 0.00 0.00 54.97 55.34 3hb9 s GLU 311 Cb -0.15 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 3hb9 s GLU 311 CO 0.04 0.62 -0.11 -0.06 0.02 0.00 0.00 175.26 175.77 3hb9 s PHE 312 N -0.75 1.52 -0.04 1.61 0.40 0.13 -1.99 117.98 118.87 3hb9 s PHE 312 Ca 0.20 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 3hb9 s PHE 312 Cb -0.15 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 3hb9 s PHE 312 CO 0.09 0.20 -0.18 -0.51 0.70 0.00 0.00 175.22 175.53 3hb9 s LEU 313 N -3.26 2.54 -0.16 -0.37 1.02 0.32 -1.34 118.68 117.43 3hb9 s LEU 313 Ca 0.21 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.09 3hb9 s LEU 313 Cb 0.02 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.75 3hb9 s LEU 313 CO 0.05 0.33 -0.21 -0.69 0.02 0.00 0.00 176.35 175.85 3hb9 s VAL 314 N -0.71 2.04 -0.26 -1.59 1.01 0.13 -0.20 120.40 120.82 3hb9 s VAL 314 Ca 0.11 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3hb9 s VAL 314 Cb -0.10 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.52 3hb9 s VAL 314 CO 0.00 0.54 -0.01 -0.55 0.00 0.00 0.00 175.10 175.09 3hb9 s SER 315 N 1.07 3.90 1.12 3.32 0.15 -0.29 -1.07 113.70 121.90 3hb9 s SER 315 Ca -0.01 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.31 3hb9 s SER 315 Cb -0.14 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 3hb9 s SER 315 CO -0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3hb9 n GLY 317 N 4.69 1.56 0.04 9.45 0.00 -1.26 -2.58 105.19 117.09 3hb9 n GLY 317 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hb9 n GLY 317 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb9 n ASP 318 N 9.99 1.84 -4.63 1.61 4.64 -1.26 -5.02 116.55 123.72 3hb9 n ASP 318 Ca 0.00 -1.78 -0.33 0.00 -1.38 0.00 0.00 54.79 51.30 3hb9 n ASP 318 Cb 0.00 -0.01 -0.10 0.00 -1.04 0.00 0.00 41.12 39.97 3hb9 n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3hb9 s GLU 319 N -0.79 2.72 0.05 -0.67 2.02 -1.07 -5.05 118.70 115.92 3hb9 s GLU 319 Ca 0.02 -0.61 0.08 0.00 0.02 0.00 0.00 54.97 54.48 3hb9 s GLU 319 Cb 0.01 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 3hb9 s GLU 319 CO 0.01 0.64 -0.22 -0.59 0.02 0.00 0.00 175.26 175.12 3hb9 s PHE 320 N -0.96 2.45 -0.07 1.61 -0.71 -1.26 -1.14 117.98 117.89 3hb9 s PHE 320 Ca 0.16 -0.32 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 3hb9 s PHE 320 Cb -0.11 -1.42 0.02 0.00 -1.21 0.00 0.00 43.02 40.30 3hb9 s PHE 320 CO 0.06 0.22 -0.11 -0.06 -1.34 0.00 0.00 175.22 173.99 3hb9 s PHE 321 N -0.90 1.46 0.35 3.49 0.40 0.72 -4.76 117.98 118.73 3hb9 s PHE 321 Ca 0.14 -0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 3hb9 s PHE 321 Cb -0.10 -1.10 -0.11 0.00 0.51 0.00 0.00 43.02 42.22 3hb9 s PHE 321 CO 0.04 -0.32 1.51 0.12 0.70 0.00 0.00 175.22 177.28 3hb9 s PHE 322 N 0.84 2.66 0.00 0.36 2.19 0.10 -0.52 117.98 123.62 3hb9 s PHE 322 Ca -0.11 1.06 0.00 0.00 0.33 0.00 0.00 56.93 58.21 3hb9 s PHE 322 Cb -0.15 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.54 3hb9 s PHE 322 CO 0.02 -3.12 0.00 1.51 1.83 0.00 0.00 175.22 175.45 3hb9 n ILE 323 N 1.03 0.00 -3.55 3.12 0.00 -0.84 -4.03 119.36 115.09 3hb9 n ILE 323 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 62.75 62.71 3hb9 n ILE 323 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 39.64 39.67 3hb9 n ILE 323 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3hb9 s GLU 324 N -1.51 0.80 -0.09 9.51 2.12 -1.19 -4.99 118.70 123.34 3hb9 s GLU 324 Ca 0.00 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.05 3hb9 s GLU 324 Cb 0.00 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.74 3hb9 s GLU 324 CO 0.00 -0.35 -0.21 0.08 -0.54 0.00 0.00 175.26 174.24 3hb9 s VAL 325 N -3.05 1.81 -0.47 3.70 1.01 -1.26 -0.25 120.40 121.89 3hb9 s VAL 325 Ca 0.07 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3hb9 s VAL 325 Cb -0.01 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.89 3hb9 s VAL 325 CO -0.07 0.50 0.36 0.20 0.00 0.00 0.00 175.10 176.09 3hb9 s ASN 326 N 0.38 5.90 -0.11 3.32 0.01 -0.04 -4.93 114.94 119.47 3hb9 s ASN 326 Ca -0.16 -1.58 -0.05 0.00 -0.71 0.00 0.00 52.86 50.36 3hb9 s ASN 326 Cb -0.17 -2.09 -0.17 0.00 0.41 0.00 0.00 41.25 39.23 3hb9 s ASN 326 CO 0.07 -0.66 3.31 -0.81 -1.51 0.00 0.00 177.10 177.50 3hb9 n PRO 327 N 5.06 2.03 -3.86 -0.60 -0.04 -1.26 -0.68 135.00 135.65 3hb9 n PRO 327 Ca -0.11 -1.26 -0.04 0.00 -0.04 0.00 0.00 63.50 62.05 3hb9 n PRO 327 Cb 0.42 -1.97 0.02 0.00 -0.04 0.00 0.00 33.50 31.93 3hb9 n PRO 327 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3hb9 s ARG 328 N 0.26 1.38 0.64 0.54 1.70 -1.19 -4.62 118.95 117.67 3hb9 s ARG 328 Ca 0.60 -0.88 -0.15 0.00 -0.47 0.00 0.00 55.73 54.84 3hb9 s ARG 328 Cb 0.31 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 35.08 3hb9 s ARG 328 CO -0.05 -0.65 1.09 0.14 -1.08 0.00 0.00 175.30 174.76 3hb9 s VAL 329 N -2.29 3.44 0.33 4.99 -7.23 -1.26 -4.22 120.40 114.16 3hb9 s VAL 329 Ca 0.20 0.67 0.09 0.00 -1.81 0.00 0.00 61.98 61.13 3hb9 s VAL 329 Cb -0.03 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 3hb9 s VAL 329 CO 0.05 -0.42 0.01 -1.10 -0.31 0.00 0.00 175.10 173.33 3hb9 s GLN 330 N -4.12 2.08 0.23 4.82 -0.21 -1.26 -4.69 119.66 116.52 3hb9 s GLN 330 Ca 0.66 -1.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.26 3hb9 s GLN 330 Cb -0.19 -1.94 0.36 0.00 1.00 0.00 0.00 33.01 32.24 3hb9 s GLN 330 CO 0.40 0.16 1.80 0.28 -2.12 0.00 0.00 175.29 175.81 3hb9 h VAL 331 N 1.83 0.89 -0.38 1.09 2.07 -1.99 -2.73 116.25 117.03 3hb9 h VAL 331 Ca -0.43 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 3hb9 h VAL 331 Cb 1.25 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3hb9 h VAL 331 CO 0.66 0.13 0.11 -1.84 0.02 0.00 0.00 177.57 176.65 3hb9 n GLU 332 N -4.79 2.62 -0.07 1.57 0.00 -1.26 -4.27 120.64 114.45 3hb9 n GLU 332 Ca 0.12 -1.65 0.00 0.00 0.00 0.00 0.00 57.16 55.64 3hb9 n GLU 332 Cb 0.27 -1.82 0.29 0.00 0.00 0.00 0.00 31.44 30.18 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 1.61 0.68 -0.82 -1.84 2.07 -1.89 -2.85 115.15 112.10 3hb9 h HIS 333 Ca 0.11 -0.03 0.12 0.00 -2.85 0.00 0.00 60.37 57.72 3hb9 h HIS 333 Cb 1.52 -0.21 -0.08 0.00 2.57 0.00 0.00 27.41 31.20 3hb9 h HIS 333 CO 0.67 0.54 0.43 1.79 -3.07 0.00 0.00 177.93 178.30 3hb9 h THR 334 N 0.67 0.80 -0.84 6.12 1.35 -1.85 -1.78 112.91 117.39 3hb9 h THR 334 Ca 0.16 -0.23 0.07 0.00 -0.55 0.00 0.00 66.41 65.87 3hb9 h THR 334 Cb 0.16 0.07 -0.06 0.00 -1.73 0.00 0.00 68.15 66.60 3hb9 h THR 334 CO -0.01 0.12 0.55 -0.29 -0.25 0.00 0.00 175.52 175.64 3hb9 h ILE 335 N 0.67 1.02 -0.10 6.82 6.09 -1.84 -0.48 117.51 129.69 3hb9 h ILE 335 Ca 0.43 -0.30 -0.20 0.00 -1.37 0.00 0.00 64.86 63.41 3hb9 h ILE 335 Cb 0.53 0.05 0.01 0.00 0.47 0.00 0.00 36.82 37.88 3hb9 h ILE 335 CO -0.32 0.16 -0.73 0.74 -3.07 0.00 0.00 178.15 174.94 3hb9 h THR 336 N 0.89 1.32 -0.95 2.19 2.02 -1.47 -3.24 112.91 113.66 3hb9 h THR 336 Ca 0.37 -1.99 0.09 0.00 0.77 0.00 0.00 66.41 65.65 3hb9 h THR 336 Cb 0.29 2.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.81 3hb9 h THR 336 CO -0.14 0.61 0.61 -0.33 0.37 0.00 0.00 175.52 176.64 3hb9 h GLU 337 N 0.33 0.99 -0.38 6.66 5.08 -0.42 -0.94 114.58 125.90 3hb9 h GLU 337 Ca -0.06 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3hb9 h GLU 337 Cb 1.38 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3hb9 h GLU 337 CO 0.15 0.65 -0.10 0.52 -1.00 0.00 0.00 179.01 179.23 3hb9 h MET 338 N 1.02 0.73 0.07 2.33 2.86 -1.17 0.20 114.93 120.96 3hb9 h MET 338 Ca 0.43 -0.28 -0.25 0.00 -2.06 0.00 0.00 59.70 57.54 3hb9 h MET 338 Cb 0.32 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3hb9 h MET 338 CO -0.19 0.88 -1.15 -0.39 1.06 0.00 0.00 176.91 177.13 3hb9 h VAL 339 N 0.53 1.58 0.00 -2.22 -1.51 -1.53 -3.35 116.25 109.76 3hb9 h VAL 339 Ca 0.09 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 3hb9 h VAL 339 Cb 0.61 2.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 3hb9 h VAL 339 CO 0.04 0.93 -1.25 0.35 -1.23 0.00 0.00 177.57 176.41 3hb9 n THR 340 N -3.44 0.27 -2.01 7.19 -2.24 -0.38 0.11 114.28 113.78 3hb9 n THR 340 Ca -0.05 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3hb9 n THR 340 Cb 0.99 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.28 0.19 3.15 3.38 0.00 0.70 -4.83 105.19 109.07 3hb9 n GLY 341 Ca -0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.45 2.04 -0.77 -0.61 -1.09 -1.16 -5.04 121.20 112.12 3hb9 s ILE 342 Ca 0.00 -0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 57.20 3hb9 s ILE 342 Cb 0.00 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.07 3hb9 s ILE 342 CO 0.00 0.54 1.54 -0.62 -1.23 0.00 0.00 174.94 175.18 3hb9 s ASP 343 N 0.96 5.86 0.10 3.58 3.68 -1.26 -4.38 116.67 125.20 3hb9 s ASP 343 Ca -0.04 -0.43 -0.18 0.00 2.13 0.00 0.00 52.55 54.03 3hb9 s ASP 343 Cb -0.15 -2.55 -0.06 0.00 -1.45 0.00 0.00 42.92 38.71 3hb9 s ASP 343 CO -0.05 -2.03 1.58 0.40 0.13 0.00 0.00 175.17 175.20 3hb9 h ILE 344 N 6.54 1.23 -0.01 4.11 2.04 -1.97 -2.01 117.51 127.43 3hb9 h ILE 344 Ca -0.15 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3hb9 h ILE 344 Cb 1.07 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3hb9 h ILE 344 CO 1.28 0.25 0.01 0.58 0.00 0.00 0.00 178.15 180.27 3hb9 h VAL 345 N 0.31 1.11 -0.87 1.67 2.07 -1.98 -0.95 116.25 117.61 3hb9 h VAL 345 Ca 0.09 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3hb9 h VAL 345 Cb 0.32 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3hb9 h VAL 345 CO 0.00 0.08 0.57 0.50 0.02 0.00 0.00 177.57 178.74 3hb9 h LYS 346 N -0.11 1.00 -0.13 1.57 3.64 -1.90 -1.50 116.57 119.15 3hb9 h LYS 346 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hb9 h LYS 346 Cb 0.13 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3hb9 h LYS 346 CO -0.00 0.66 0.08 1.15 -2.27 0.00 0.00 179.45 179.07 3hb9 h THR 347 N 1.03 1.05 -0.39 1.00 2.02 -1.07 -1.30 112.91 115.25 3hb9 h THR 347 Ca 0.36 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.52 3hb9 h THR 347 Cb 0.11 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 3hb9 h THR 347 CO -0.12 0.04 -0.24 1.56 0.37 0.00 0.00 175.52 177.14 3hb9 h GLN 348 N 0.16 -0.17 -0.23 6.66 4.20 -0.18 0.78 115.11 126.33 3hb9 h GLN 348 Ca 0.05 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.82 3hb9 h GLN 348 Cb 0.00 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 3hb9 h GLN 348 CO -0.01 -0.11 -0.13 0.82 -0.67 0.00 0.00 178.83 178.73 3hb9 h ILE 349 N -0.17 0.60 -0.38 2.54 1.08 -1.23 -1.84 117.51 118.11 3hb9 h ILE 349 Ca 0.19 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.51 3hb9 h ILE 349 Cb 0.47 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3hb9 h ILE 349 CO -0.49 0.00 -0.34 -0.07 -0.69 0.00 0.00 178.15 176.56 3hb9 h LEU 350 N -0.12 0.90 -0.48 1.44 3.38 0.06 -2.55 115.31 117.95 3hb9 h LEU 350 Ca 0.13 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hb9 h LEU 350 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hb9 h LEU 350 CO -0.30 1.15 0.31 0.58 0.09 0.00 0.00 178.44 180.27 3hb9 h VAL 351 N 0.71 1.10 -0.90 1.22 2.07 0.63 -2.27 116.25 118.81 3hb9 h VAL 351 Ca 0.07 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3hb9 h VAL 351 Cb 0.90 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3hb9 h VAL 351 CO 0.08 0.11 0.59 0.00 0.02 0.00 0.00 177.57 178.38 3hb9 h ALA 352 N 1.19 1.45 0.00 1.67 0.00 -1.14 -1.44 119.26 120.99 3hb9 h ALA 352 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hb9 h ALA 352 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3hb9 h ALA 352 CO -0.06 0.45 -0.16 0.00 0.00 0.00 0.00 179.25 179.48 3hb9 h ALA 353 N 1.48 1.45 0.00 0.00 0.00 -1.07 -3.46 119.26 117.65 3hb9 h ALA 353 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hb9 h ALA 353 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hb9 h ALA 353 CO -0.12 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3hb9 n GLY 354 N -0.79 1.60 3.76 0.00 0.00 -0.54 -4.47 105.19 104.73 3hb9 n GLY 354 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.39 -0.12 4.61 0.00 -0.89 -4.93 121.76 120.82 3hb9 s ALA 355 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 3hb9 s ALA 355 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hb9 s ALA 355 CO 0.00 -1.40 0.37 0.34 0.00 0.00 0.00 175.76 175.07 3hb9 s ASP 356 N -2.31 6.58 0.18 0.00 2.15 -1.26 -4.55 116.67 117.46 3hb9 s ASP 356 Ca 0.70 0.69 -0.23 0.00 0.43 0.00 0.00 52.55 54.14 3hb9 s ASP 356 Cb -0.24 -2.23 0.08 0.00 -0.30 0.00 0.00 42.92 40.24 3hb9 s ASP 356 CO 0.41 0.11 1.57 0.25 -0.17 0.00 0.00 175.17 177.34 3hb9 h LEU 357 N 6.32 -1.36 -5.40 -1.34 5.85 -1.95 -1.10 115.31 116.33 3hb9 h LEU 357 Ca -0.43 0.24 -0.69 0.00 0.84 0.00 0.00 57.88 57.84 3hb9 h LEU 357 Cb 1.18 0.65 -0.12 0.00 0.37 0.00 0.00 40.66 42.74 3hb9 h LEU 357 CO 0.73 -0.32 2.18 0.49 -0.34 0.00 0.00 178.44 181.18 3hb9 n PHE 357 N -5.42 2.39 -4.02 1.25 3.01 -1.26 -2.82 117.46 110.59 3hb9 n PHE 357 Ca 0.03 -2.69 -0.01 0.00 1.01 0.00 0.00 57.45 55.79 3hb9 n PHE 357 Cb 0.35 -1.81 -0.00 0.00 -0.01 0.00 0.00 39.48 38.01 3hb9 n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hb9 n GLY 357 N 1.75 4.14 0.17 1.37 0.00 -0.42 -4.97 105.19 107.23 3hb9 n GLY 357 Ca 0.61 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 44.58 3hb9 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hb9 h GLU 358 N 0.00 0.00 0.01 1.61 4.39 -1.91 -3.06 114.58 115.63 3hb9 h GLU 358 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 3hb9 h GLU 358 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3hb9 h GLU 358 CO 0.02 0.47 -0.85 0.93 -1.16 0.00 0.00 179.01 178.41 3hb9 h GLU 359 N 0.00 0.03 -0.07 2.33 3.07 -1.93 -3.39 114.58 114.62 3hb9 h GLU 359 Ca -0.00 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 58.57 3hb9 h GLU 359 Cb 0.94 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3hb9 h GLU 359 CO 0.06 1.03 -0.88 0.82 -1.40 0.00 0.00 179.01 178.64 3hb9 h ILE 360 N -0.91 1.32 -6.07 3.13 1.08 -1.80 -3.48 117.51 110.77 3hb9 h ILE 360 Ca -0.23 -2.17 -0.43 0.00 -0.39 0.00 0.00 64.86 61.65 3hb9 h ILE 360 Cb 1.26 2.20 0.05 0.00 -3.07 0.00 0.00 36.82 37.26 3hb9 h ILE 360 CO -0.11 0.67 -0.77 0.59 -0.69 0.00 0.00 178.15 177.84 3hb9 n ASN 361 N -3.86 -3.49 -4.64 1.72 4.13 -1.15 -4.98 115.26 102.98 3hb9 n ASN 361 Ca -0.08 -0.73 -0.41 0.00 1.68 0.00 0.00 54.58 55.04 3hb9 n ASN 361 Cb 0.80 -4.30 -0.05 0.00 -1.54 0.00 0.00 39.78 34.69 3hb9 n ASN 361 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3hb9 s MET 362 N -6.20 4.17 0.95 3.52 1.75 -1.13 -5.04 119.30 117.33 3hb9 s MET 362 Ca 0.34 0.73 -0.11 0.00 -1.25 0.00 0.00 55.69 55.40 3hb9 s MET 362 Cb -0.17 -3.63 0.16 0.00 2.84 0.00 0.00 34.83 34.04 3hb9 s MET 362 CO 0.79 -0.40 1.09 -2.14 -0.65 0.00 0.00 175.02 173.72 3hb9 s PRO 362 N 2.45 0.80 0.73 4.11 0.02 -1.26 -4.39 135.00 137.45 3hb9 s PRO 362 Ca 0.31 1.04 -0.11 0.00 0.02 0.00 0.00 61.00 62.26 3hb9 s PRO 362 Cb -0.16 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.65 3hb9 s PRO 362 CO 0.09 -2.62 1.08 -1.14 -0.33 0.00 0.00 177.00 174.08 3hb9 s GLN 363 N -4.75 2.63 0.32 5.54 2.00 -1.26 -4.79 119.66 119.34 3hb9 s GLN 363 Ca 0.65 1.07 0.08 0.00 -2.00 0.00 0.00 55.36 55.16 3hb9 s GLN 363 Cb -0.21 -1.95 0.79 0.00 0.80 0.00 0.00 33.01 32.45 3hb9 s GLN 363 CO 0.59 -1.35 1.78 0.37 -0.50 0.00 0.00 175.29 176.18 3hb9 h GLN 364 N -0.86 0.69 -0.84 1.67 5.75 -1.95 0.15 115.11 119.72 3hb9 h GLN 364 Ca -0.44 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.15 3hb9 h GLN 364 Cb 1.22 -0.15 -0.09 0.00 1.07 0.00 0.00 27.48 29.53 3hb9 h GLN 364 CO 0.54 0.45 0.45 -0.22 -2.65 0.00 0.00 178.83 177.41 3hb9 h LYS 365 N 0.71 0.67 -0.00 1.69 3.64 -2.01 -2.68 116.57 118.58 3hb9 h LYS 365 Ca 0.58 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 3hb9 h LYS 365 Cb 0.98 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3hb9 h LYS 365 CO -0.38 0.45 -0.34 -0.25 -2.27 0.00 0.00 179.45 176.66 3hb9 n ASP 366 N -4.82 0.53 -4.65 4.20 8.00 0.46 -4.83 116.55 115.44 3hb9 n ASP 366 Ca 0.16 -0.31 -0.42 0.00 0.71 0.00 0.00 54.79 54.92 3hb9 n ASP 366 Cb 0.37 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.84 4.74 0.36 0.53 1.01 -0.90 -4.93 121.20 119.16 3hb9 s ILE 367 Ca 0.16 1.79 0.06 0.00 0.00 0.00 0.00 60.65 62.66 3hb9 s ILE 367 Cb 0.18 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3hb9 s ILE 367 CO 0.62 -0.16 0.22 0.42 0.00 0.00 0.00 174.94 176.04 3hb9 s THR 368 N 3.08 0.20 -0.12 2.92 -4.23 -1.26 -5.00 115.64 111.23 3hb9 s THR 368 Ca 0.40 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3hb9 s THR 368 Cb -0.15 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 3hb9 s THR 368 CO 0.07 0.00 -0.13 0.42 -0.54 0.00 0.00 174.62 174.44 3hb9 s THR 369 N -3.36 3.04 -0.26 3.99 -4.23 -1.26 -4.22 115.64 109.34 3hb9 s THR 369 Ca 0.34 -0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 3hb9 s THR 369 Cb 0.02 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 3hb9 s THR 369 CO 0.23 0.53 0.13 -0.22 -0.54 0.00 0.00 174.62 174.75 3hb9 s LEU 370 N 0.23 3.79 0.00 4.79 2.96 0.29 -4.98 118.68 125.76 3hb9 s LEU 370 Ca -0.09 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3hb9 s LEU 370 Cb -0.15 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3hb9 s LEU 370 CO 0.05 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3hb9 n GLY 371 N 4.81 0.92 3.05 7.98 0.00 -1.26 -4.40 105.19 116.29 3hb9 n GLY 371 Ca -0.15 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 0.52 -0.00 1.61 1.51 0.97 -4.52 117.35 117.44 3hb9 s TYR 372 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 3hb9 s TYR 372 Cb 0.00 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 3hb9 s TYR 372 CO 0.00 -0.17 -0.01 0.00 -1.11 0.00 0.00 175.55 174.26 3hb9 s ALA 373 N -2.03 0.10 0.05 3.71 0.00 0.11 -1.62 121.76 122.09 3hb9 s ALA 373 Ca -0.07 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 51.96 3hb9 s ALA 373 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3hb9 s ALA 373 CO -0.02 0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.93 3hb9 s ILE 374 N 0.12 1.87 0.06 0.00 1.01 -0.30 -1.30 121.20 122.66 3hb9 s ILE 374 Ca -0.01 -1.31 0.05 0.00 0.00 0.00 0.00 60.65 59.38 3hb9 s ILE 374 Cb -0.02 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3hb9 s ILE 374 CO -0.00 0.25 -0.13 -1.58 0.00 0.00 0.00 174.94 173.48 3hb9 s GLN 375 N -1.26 0.82 -0.04 2.79 0.74 -0.12 -1.34 119.66 121.26 3hb9 s GLN 375 Ca 0.09 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.49 3hb9 s GLN 375 Cb -0.09 -0.81 0.03 0.00 1.10 0.00 0.00 33.01 33.24 3hb9 s GLN 375 CO 0.02 0.19 0.34 0.00 -0.55 0.00 0.00 175.29 175.28 3hb9 s ARG 377 N -1.05 4.21 -0.39 0.00 3.00 -1.26 -1.78 118.95 121.68 3hb9 s ARG 377 Ca -0.11 0.24 -0.20 0.00 0.00 0.00 0.00 55.73 55.67 3hb9 s ARG 377 Cb -0.04 -3.39 0.01 0.00 0.00 0.00 0.00 34.95 31.52 3hb9 s ARG 377 CO 0.04 0.29 0.58 0.42 0.00 0.00 0.00 175.30 176.63 3hb9 s ILE 378 N 0.26 4.92 0.49 1.52 1.09 0.46 -4.99 121.20 124.96 3hb9 s ILE 378 Ca 0.20 0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 3hb9 s ILE 378 Cb -0.14 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.15 3hb9 s ILE 378 CO 0.07 -0.41 0.01 0.42 -0.10 0.00 0.00 174.94 174.93 3hb9 s THR 379 N 2.60 1.24 -0.46 2.92 -4.23 -1.26 -1.15 115.64 115.30 3hb9 s THR 379 Ca 0.21 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 3hb9 s THR 379 Cb -0.15 -2.28 0.43 0.00 1.34 0.00 0.00 72.50 71.85 3hb9 s THR 379 CO 0.16 0.00 1.31 0.35 -0.54 0.00 0.00 174.62 175.90 3hb9 n THR 380 N -1.21 1.79 -1.98 3.99 -2.24 -1.25 -2.57 114.28 110.82 3hb9 n THR 380 Ca -0.17 -0.89 -0.38 0.00 -2.27 0.00 0.00 64.05 60.35 3hb9 n THR 380 Cb 0.67 -0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.94 3.49 -0.52 -0.78 0.41 -1.26 0.05 118.70 118.15 3hb9 s GLU 381 Ca 0.31 2.08 -0.09 0.00 -0.41 0.00 0.00 54.97 56.86 3hb9 s GLU 381 Cb 0.25 -2.40 0.13 0.00 -1.78 0.00 0.00 34.13 30.33 3hb9 s GLU 381 CO 0.08 -0.86 0.40 0.34 -0.49 0.00 0.00 175.26 174.73 3hb9 s ASP 382 N -1.03 5.76 0.00 -0.19 2.15 -0.55 -3.45 116.67 119.35 3hb9 s ASP 382 Ca 0.66 -2.09 0.08 0.00 0.43 0.00 0.00 52.55 51.63 3hb9 s ASP 382 Cb -0.36 -2.02 0.43 0.00 -0.30 0.00 0.00 42.92 40.67 3hb9 s ASP 382 CO 0.44 -0.65 0.97 -2.65 -0.17 0.00 0.00 175.17 173.10 3hb9 n PRO 383 N 4.68 0.20 -0.14 4.34 -0.02 -1.26 -1.45 135.00 141.34 3hb9 n PRO 383 Ca -0.04 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.58 3hb9 n PRO 383 Cb 0.41 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.54 3hb9 n PRO 383 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hb9 n LEU 384 N -1.08 2.92 -2.92 2.45 4.77 -1.26 -4.76 117.00 117.12 3hb9 n LEU 384 Ca 0.05 -1.51 -0.14 0.00 -0.03 0.00 0.00 56.01 54.38 3hb9 n LEU 384 Cb 0.04 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3hb9 n LEU 384 CO 0.05 0.64 0.00 -3.20 -1.33 0.00 0.00 177.39 173.55 3hb9 n ASN 385 N 1.00 -1.73 -1.92 -1.43 5.15 -0.53 -4.97 115.26 110.83 3hb9 n ASN 385 Ca 0.14 -3.06 -0.08 0.00 -0.60 0.00 0.00 54.58 50.98 3hb9 n ASN 385 Cb 0.47 0.87 -0.02 0.00 -0.53 0.00 0.00 39.78 40.58 3hb9 n ASN 385 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hb9 n ASP 386 N 1.59 -2.44 -3.10 1.20 10.43 -1.26 -2.17 116.55 120.79 3hb9 n ASP 386 Ca 0.14 0.26 -0.13 0.00 2.57 0.00 0.00 54.79 57.63 3hb9 n ASP 386 Cb 0.59 -2.28 0.06 0.00 1.84 0.00 0.00 41.12 41.33 3hb9 n ASP 386 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hb9 n PHE 387 N -2.37 -2.32 -2.78 1.24 0.99 -1.09 -4.98 117.46 106.15 3hb9 n PHE 387 Ca -0.08 0.81 -0.42 0.00 -0.00 0.00 0.00 57.45 57.76 3hb9 n PHE 387 Cb 0.43 -4.00 -0.03 0.00 -1.00 0.00 0.00 39.48 34.88 3hb9 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 3hb9 s MET 388 N -4.19 4.05 -0.36 -1.08 -1.94 -0.92 -4.56 119.30 110.30 3hb9 s MET 388 Ca 0.39 0.90 -0.28 0.00 -1.71 0.00 0.00 55.69 55.00 3hb9 s MET 388 Cb -0.05 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 3hb9 s MET 388 CO 0.68 -0.75 1.95 -2.14 -0.01 0.00 0.00 175.02 174.75 3hb9 s PRO 389 N 3.26 3.08 0.57 2.03 0.02 -1.26 -1.48 135.00 141.22 3hb9 s PRO 389 Ca 0.39 1.44 -0.16 0.00 0.02 0.00 0.00 61.00 62.69 3hb9 s PRO 389 Cb -0.13 -4.30 -0.05 0.00 0.02 0.00 0.00 34.50 30.04 3hb9 s PRO 389 CO 0.13 -2.16 1.04 0.34 -0.33 0.00 0.00 177.00 176.02 3hb9 s ASP 390 N 7.39 6.00 0.04 2.53 2.15 0.11 -4.96 116.67 129.92 3hb9 s ASP 390 Ca 0.84 1.78 0.04 0.00 0.43 0.00 0.00 52.55 55.63 3hb9 s ASP 390 Cb -0.23 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 3hb9 s ASP 390 CO 0.31 -1.02 -0.11 0.42 -0.17 0.00 0.00 175.17 174.61 3hb9 s THR 391 N -2.44 0.81 -4.28 1.71 -4.23 -1.26 -4.82 115.64 101.13 3hb9 s THR 391 Ca 0.63 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3hb9 s THR 391 Cb -0.15 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.90 3hb9 s THR 391 CO 0.34 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3hb9 n GLY 392 N 1.70 -0.83 3.54 3.99 0.00 -1.26 -5.01 105.19 107.32 3hb9 n GLY 392 Ca -0.20 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.00 4.78 -0.04 2.61 2.01 -1.26 -2.58 115.64 118.16 3hb9 s THR 393 Ca 0.00 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 3hb9 s THR 393 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3hb9 s THR 393 CO 0.00 0.33 1.13 -0.63 -0.69 0.00 0.00 174.62 174.76 3hb9 s ILE 394 N 1.40 4.42 -0.08 1.82 1.01 -0.91 -4.58 121.20 124.27 3hb9 s ILE 394 Ca 0.06 1.73 0.14 0.00 0.00 0.00 0.00 60.65 62.57 3hb9 s ILE 394 Cb -0.15 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 38.01 3hb9 s ILE 394 CO 0.05 0.03 0.18 2.30 0.00 0.00 0.00 174.94 177.51 3hb9 n ILE 395 N 4.42 0.49 -3.69 2.92 -5.35 -1.24 0.66 119.36 117.56 3hb9 n ILE 395 Ca 0.10 -0.47 -0.17 0.00 -0.27 0.00 0.00 62.75 61.94 3hb9 n ILE 395 Cb 0.47 -0.25 -0.16 0.00 -1.74 0.00 0.00 39.64 37.97 3hb9 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hb9 s ALA 396 N -2.68 -0.07 -0.08 -1.28 0.00 -1.26 -4.33 121.76 112.06 3hb9 s ALA 396 Ca -0.06 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.43 3hb9 s ALA 396 Cb 0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3hb9 s ALA 396 CO 0.59 -0.43 -0.24 -0.47 0.00 0.00 0.00 175.76 175.21 3hb9 s TYR 397 N 1.94 2.50 -0.27 0.00 6.14 -1.26 -3.64 117.35 122.77 3hb9 s TYR 397 Ca 0.00 -0.85 -0.04 0.00 0.64 0.00 0.00 57.07 56.82 3hb9 s TYR 397 Cb -0.12 -1.65 0.15 0.00 0.42 0.00 0.00 41.96 40.76 3hb9 s TYR 397 CO -0.05 -0.30 0.51 0.50 0.64 0.00 0.00 175.55 176.85 3hb9 s ARG 398 N 0.05 0.46 0.20 4.97 6.06 -0.85 -4.86 118.95 124.98 3hb9 s ARG 398 Ca -0.10 0.91 0.03 0.00 -2.50 0.00 0.00 55.73 54.07 3hb9 s ARG 398 Cb -0.16 0.22 0.03 0.00 0.06 0.00 0.00 34.95 35.10 3hb9 s ARG 398 CO 0.06 -0.52 0.22 -1.13 -2.50 0.00 0.00 175.30 171.43 3hb9 n SER 399 N 5.40 1.11 -3.61 -2.12 3.41 -1.26 -0.78 113.62 115.77 3hb9 n SER 399 Ca -0.04 -1.59 -0.15 0.00 -0.26 0.00 0.00 58.87 56.83 3hb9 n SER 399 Cb 0.50 -0.09 -0.13 0.00 -0.26 0.00 0.00 64.21 64.23 3hb9 n SER 399 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hb9 s SER 400 N -2.20 0.66 0.00 4.04 0.15 -1.26 -4.88 113.70 110.21 3hb9 s SER 400 Ca 0.17 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.16 3hb9 s SER 400 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3hb9 s SER 400 CO 0.11 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3hb9 n GLY 401 N 5.34 0.70 0.00 9.45 0.00 -1.26 -4.92 105.19 114.50 3hb9 n GLY 401 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 4.78 0.36 3.62 -0.02 0.00 -1.26 -4.70 105.19 107.96 3hb9 n GLY 402 Ca 0.00 -1.67 -0.49 0.00 0.00 0.00 0.00 46.02 43.86 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 0.56 1.77 -0.19 1.61 -0.00 -1.26 -2.03 117.46 117.91 3hb9 n PHE 403 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.97 3hb9 n PHE 403 Cb 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 39.48 37.08 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 2.70 1.52 3.89 7.13 0.00 -1.26 -4.95 105.19 114.22 3hb9 n GLY 404 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.81 5.40 -0.09 1.61 1.01 -0.86 -0.51 120.40 124.15 3hb9 s VAL 405 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3hb9 s VAL 405 Cb 0.00 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.91 3hb9 s VAL 405 CO 0.00 0.42 0.12 -0.60 0.00 0.00 0.00 175.10 175.04 3hb9 s ARG 406 N -1.62 0.01 -0.14 2.72 6.06 0.88 -4.81 118.95 122.03 3hb9 s ARG 406 Ca 0.24 0.39 -0.04 0.00 -2.50 0.00 0.00 55.73 53.82 3hb9 s ARG 406 Cb -0.13 -0.62 -0.03 0.00 0.06 0.00 0.00 34.95 34.23 3hb9 s ARG 406 CO 0.14 -0.39 0.00 -0.51 -2.50 0.00 0.00 175.30 172.05 3hb9 s LEU 407 N 2.23 3.53 -0.42 -0.88 1.43 -1.26 -0.97 118.68 122.34 3hb9 s LEU 407 Ca 0.04 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3hb9 s LEU 407 Cb -0.13 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.37 3hb9 s LEU 407 CO -0.06 0.24 0.20 -1.81 0.23 0.00 0.00 176.35 175.16 3hb9 s ASP 408 N -0.06 3.90 0.66 2.29 1.01 -0.41 -4.97 116.67 119.09 3hb9 s ASP 408 Ca 0.04 -2.46 -0.11 0.00 0.71 0.00 0.00 52.55 50.73 3hb9 s ASP 408 Cb -0.13 -1.13 -0.01 0.00 1.01 0.00 0.00 42.92 42.67 3hb9 s ASP 408 CO 0.02 -0.30 1.06 0.00 0.21 0.00 0.00 175.17 176.16 3hb9 s ALA 409 N 0.54 3.00 0.00 5.23 0.00 -1.26 -0.65 121.76 128.63 3hb9 s ALA 409 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3hb9 s ALA 409 Cb -0.23 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3hb9 s ALA 409 CO -0.05 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3hb9 n GLY 410 N -2.88 -0.94 0.60 0.00 0.00 0.25 -3.91 105.19 98.32 3hb9 n GLY 410 Ca 0.06 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.25 2.05 -4.40 1.61 9.92 -0.75 -4.44 116.55 119.29 3hb9 n ASP 411 Ca 0.00 -1.56 -0.44 0.00 -0.53 0.00 0.00 54.79 52.25 3hb9 n ASP 411 Cb 0.00 0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 3hb9 n ASP 411 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3hb9 s GLY 412 N -2.21 1.66 -0.06 0.44 0.00 -0.44 -4.84 107.32 101.88 3hb9 s GLY 412 Ca 0.27 -2.14 -0.30 0.00 0.00 0.00 0.00 44.72 42.56 3hb9 s GLY 412 CO 0.41 1.74 0.80 -0.11 0.00 0.00 0.00 173.10 175.94 3hb9 s PHE 413 N 3.08 -0.52 0.20 1.90 -0.12 -1.26 -4.90 117.98 116.36 3hb9 s PHE 413 Ca 0.15 0.80 -0.31 0.00 -0.05 0.00 0.00 56.93 57.52 3hb9 s PHE 413 Cb -0.21 0.45 -0.10 0.00 -0.63 0.00 0.00 43.02 42.53 3hb9 s PHE 413 CO 0.07 -0.54 1.54 1.14 -0.05 0.00 0.00 175.22 177.38 3hb9 s GLN 414 N -1.60 4.22 -0.35 1.99 -2.07 -1.26 -3.14 119.66 117.44 3hb9 s GLN 414 Ca -0.05 2.37 -0.02 0.00 -1.82 0.00 0.00 55.36 55.84 3hb9 s GLN 414 Cb -0.00 -3.13 -0.02 0.00 -1.09 0.00 0.00 33.01 28.77 3hb9 s GLN 414 CO 0.03 -0.56 0.31 0.41 -1.32 0.00 0.00 175.29 174.16 3hb9 n GLY 415 N 3.19 0.22 3.33 2.60 0.00 0.21 -4.99 105.19 109.75 3hb9 n GLY 415 Ca 0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.13 2.45 -0.55 4.61 0.00 -1.15 -4.91 121.76 119.07 3hb9 s ALA 416 Ca 0.14 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 3hb9 s ALA 416 Cb -0.02 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.19 3hb9 s ALA 416 CO 0.25 0.32 0.60 -1.21 0.00 0.00 0.00 175.76 175.71 3hb9 s GLU 417 N 0.16 3.03 -0.35 0.00 0.41 -1.26 -2.15 118.70 118.54 3hb9 s GLU 417 Ca -0.10 -1.38 -0.25 0.00 -0.41 0.00 0.00 54.97 52.83 3hb9 s GLU 417 Cb -0.16 -4.24 0.01 0.00 -1.78 0.00 0.00 34.13 27.97 3hb9 s GLU 417 CO 0.06 -1.37 0.88 0.42 -0.49 0.00 0.00 175.26 174.76 3hb9 s ILE 418 N 2.23 4.65 -0.02 -1.63 1.09 -1.06 -5.03 121.20 121.42 3hb9 s ILE 418 Ca 0.09 1.17 -0.19 0.00 -1.10 0.00 0.00 60.65 60.61 3hb9 s ILE 418 Cb -0.25 -4.28 -0.05 0.00 -1.06 0.00 0.00 42.46 36.81 3hb9 s ILE 418 CO 0.06 -0.46 0.55 -0.94 -0.10 0.00 0.00 174.94 174.06 3hb9 s SER 419 N 1.80 6.91 0.23 3.58 1.04 -1.26 -3.99 113.70 122.01 3hb9 s SER 419 Ca 0.36 1.08 0.22 0.00 0.48 0.00 0.00 55.95 58.09 3hb9 s SER 419 Cb -0.13 -2.34 0.94 0.00 0.10 0.00 0.00 66.02 64.60 3hb9 s SER 419 CO 0.17 0.11 1.66 -0.81 0.98 0.00 0.00 173.24 175.35 3hb9 n PRO 420 N 2.79 0.16 0.00 4.02 -0.04 -1.26 -3.35 135.00 137.32 3hb9 n PRO 420 Ca -0.08 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3hb9 n PRO 420 Cb 0.51 -1.83 0.45 0.00 -0.04 0.00 0.00 33.50 32.59 3hb9 n PRO 420 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hb9 n TYR 421 N -2.14 0.00 -4.17 0.54 4.02 -1.26 -4.91 117.16 109.23 3hb9 n TYR 421 Ca 0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 3hb9 n TYR 421 Cb 0.19 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.26 3hb9 n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hb9 s TYR 422 N -2.60 2.68 -1.27 -0.72 1.51 -1.21 -4.66 117.35 111.08 3hb9 s TYR 422 Ca 0.23 -0.38 -0.19 0.00 -1.01 0.00 0.00 57.07 55.73 3hb9 s TYR 422 Cb 0.19 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 3hb9 s TYR 422 CO 0.53 0.40 1.87 -0.25 -1.11 0.00 0.00 175.55 176.99 3hb9 n ASP 423 N -1.09 4.21 -4.58 2.29 9.92 -1.26 -4.90 116.55 121.14 3hb9 n ASP 423 Ca -0.04 -2.84 -0.24 0.00 -0.53 0.00 0.00 54.79 51.14 3hb9 n ASP 423 Cb 0.61 -1.69 -0.08 0.00 -0.64 0.00 0.00 41.12 39.32 3hb9 n ASP 423 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3hb9 s SER 424 N 4.60 4.55 -0.23 -2.24 1.04 -1.26 -4.90 113.70 115.25 3hb9 s SER 424 Ca 0.56 -1.47 -0.27 0.00 0.48 0.00 0.00 55.95 55.25 3hb9 s SER 424 Cb 0.05 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3hb9 s SER 424 CO 0.07 -3.59 0.95 -0.22 0.98 0.00 0.00 173.24 171.42 3hb9 s LEU 425 N 12.84 4.10 -0.05 2.42 2.96 -1.26 -3.91 118.68 135.78 3hb9 s LEU 425 Ca 0.72 1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 55.86 3hb9 s LEU 425 Cb -0.02 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3hb9 s LEU 425 CO 0.15 -0.59 0.10 -0.07 -1.32 0.00 0.00 176.35 174.62 3hb9 h LEU 426 N 9.25 -0.05 -7.82 -0.68 3.38 -1.46 -2.00 115.31 115.94 3hb9 h LEU 426 Ca -0.21 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 3hb9 h LEU 426 Cb 1.08 0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.59 3hb9 h LEU 426 CO 0.93 0.24 -0.69 -0.69 0.09 0.00 0.00 178.44 178.33 3hb9 s VAL 427 N -1.59 0.05 -0.43 1.22 1.01 -1.11 -0.58 120.40 118.96 3hb9 s VAL 427 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 3hb9 s VAL 427 Cb 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 36.38 36.32 3hb9 s VAL 427 CO 0.03 -0.22 0.28 -0.75 0.00 0.00 0.00 175.10 174.44 3hb9 s LYS 428 N -0.65 2.62 -0.13 2.72 2.20 0.18 -0.40 119.74 126.28 3hb9 s LYS 428 Ca -0.07 -1.49 -0.16 0.00 -0.36 0.00 0.00 55.97 53.89 3hb9 s LYS 428 Cb -0.04 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 3hb9 s LYS 428 CO -0.00 -0.99 0.40 -1.17 -0.36 0.00 0.00 175.35 173.23 3hb9 s LEU 429 N 1.44 4.27 -0.03 5.43 2.96 -0.73 -1.29 118.68 130.73 3hb9 s LEU 429 Ca 0.03 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3hb9 s LEU 429 Cb -0.23 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 43.90 3hb9 s LEU 429 CO 0.02 0.06 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.63 3hb9 s SER 430 N 0.46 0.75 0.19 3.68 0.01 -0.14 -1.68 113.70 116.97 3hb9 s SER 430 Ca 0.22 -0.10 0.11 0.00 1.31 0.00 0.00 55.95 57.49 3hb9 s SER 430 Cb -0.14 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 3hb9 s SER 430 CO 0.08 -0.02 -0.23 0.42 0.41 0.00 0.00 173.24 173.89 3hb9 s THR 431 N 0.60 2.28 -0.18 1.44 -4.23 -0.45 -0.09 115.64 115.01 3hb9 s THR 431 Ca -0.07 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.33 3hb9 s THR 431 Cb -0.11 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.72 3hb9 s THR 431 CO -0.00 -0.14 0.43 -2.28 -0.54 0.00 0.00 174.62 172.09 3hb9 s HIS 432 N -1.71 -0.68 0.25 3.99 5.04 0.33 -1.16 115.29 121.35 3hb9 s HIS 432 Ca 0.20 1.40 -0.18 0.00 -1.54 0.00 0.00 55.06 54.95 3hb9 s HIS 432 Cb -0.08 0.30 0.02 0.00 0.04 0.00 0.00 32.58 32.86 3hb9 s HIS 432 CO 0.09 -0.39 0.60 0.00 -2.34 0.00 0.00 174.74 172.70 3hb9 s ALA 433 N 1.73 -0.89 0.30 1.58 0.00 -0.64 -4.49 121.76 119.36 3hb9 s ALA 433 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3hb9 s ALA 433 Cb -0.09 0.92 0.47 0.00 0.00 0.00 0.00 23.12 24.42 3hb9 s ALA 433 CO -0.13 -0.93 1.97 -0.84 0.00 0.00 0.00 175.76 175.83 3hb9 h ILE 434 N 2.12 1.19 -3.52 0.00 -2.65 -1.91 0.28 117.51 113.01 3hb9 h ILE 434 Ca -0.24 -0.37 -0.67 0.00 1.03 0.00 0.00 64.86 64.61 3hb9 h ILE 434 Cb 1.25 0.01 -0.16 0.00 -2.05 0.00 0.00 36.82 35.88 3hb9 h ILE 434 CO 0.30 0.20 -0.69 -0.94 0.03 0.00 0.00 178.15 177.05 3hb9 s SER 435 N -6.27 4.72 0.33 2.16 1.04 -1.26 -4.08 113.70 110.34 3hb9 s SER 435 Ca -0.11 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.19 3hb9 s SER 435 Cb 0.18 -1.09 0.67 0.00 0.10 0.00 0.00 66.02 65.88 3hb9 s SER 435 CO 0.79 0.25 1.89 0.15 0.98 0.00 0.00 173.24 177.30 3hb9 h PHE 436 N 4.16 0.93 -0.15 5.02 3.57 -1.91 -0.39 116.94 128.18 3hb9 h PHE 436 Ca -0.48 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 60.84 3hb9 h PHE 436 Cb 1.17 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3hb9 h PHE 436 CO 0.59 0.42 -0.71 1.57 -2.23 0.00 0.00 178.31 177.96 3hb9 h LYS 437 N 0.86 0.64 -0.86 1.11 -0.00 -1.95 0.64 116.57 117.01 3hb9 h LYS 437 Ca 0.41 -0.49 -0.01 0.00 -0.00 0.00 0.00 60.65 60.56 3hb9 h LYS 437 Cb 0.44 0.09 -0.04 0.00 -0.00 0.00 0.00 32.23 32.72 3hb9 h LYS 437 CO -0.18 1.11 0.51 1.96 -0.00 0.00 0.00 179.45 182.86 3hb9 h GLN 438 N 0.45 1.17 -0.82 0.07 4.20 -1.82 0.42 115.11 118.78 3hb9 h GLN 438 Ca -0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3hb9 h GLN 438 Cb 1.30 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 3hb9 h GLN 438 CO 0.14 0.83 0.39 0.00 -0.67 0.00 0.00 178.83 179.51 3hb9 h ALA 439 N 1.28 1.14 -0.43 3.87 0.00 -0.89 -1.79 119.26 122.44 3hb9 h ALA 439 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hb9 h ALA 439 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3hb9 h ALA 439 CO -0.06 0.65 0.10 1.49 0.00 0.00 0.00 179.25 181.44 3hb9 h GLU 440 N 1.17 0.64 -0.11 0.00 4.22 -0.28 -2.68 114.58 117.54 3hb9 h GLU 440 Ca 0.28 -0.11 -0.19 0.00 0.08 0.00 0.00 59.36 59.42 3hb9 h GLU 440 Cb 0.12 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hb9 h GLU 440 CO -0.03 0.59 -0.72 0.93 -2.18 0.00 0.00 179.01 177.60 3hb9 h GLU 441 N 0.62 0.51 -0.45 1.92 5.08 -0.15 -2.36 114.58 119.75 3hb9 h GLU 441 Ca 0.14 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3hb9 h GLU 441 Cb 0.24 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hb9 h GLU 441 CO -0.00 1.03 0.15 0.87 -1.00 0.00 0.00 179.01 180.05 3hb9 h LYS 442 N 0.35 0.70 0.69 2.33 1.57 -1.31 -2.88 116.57 118.04 3hb9 h LYS 442 Ca -0.03 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3hb9 h LYS 442 Cb 1.30 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.51 3hb9 h LYS 442 CO 0.13 0.67 -0.33 1.98 -0.57 0.00 0.00 179.45 181.33 3hb9 h MET 443 N 0.60 -0.90 -0.36 3.15 4.05 -1.39 -0.69 114.93 119.39 3hb9 h MET 443 Ca 0.15 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 3hb9 h MET 443 Cb 0.26 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 3hb9 h MET 443 CO -0.01 -0.58 0.22 -0.24 0.23 0.00 0.00 176.91 176.53 3hb9 h VAL 444 N -0.99 1.10 0.32 -5.77 3.04 -1.53 -1.45 116.25 110.98 3hb9 h VAL 444 Ca -0.10 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 3hb9 h VAL 444 Cb 0.73 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 3hb9 h VAL 444 CO 0.16 0.10 -0.15 -0.09 -1.01 0.00 0.00 177.57 176.58 3hb9 h ARG 445 N 0.49 -0.41 -0.54 4.17 2.43 -1.38 -2.19 114.38 116.95 3hb9 h ARG 445 Ca 0.13 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 3hb9 h ARG 445 Cb -0.03 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 3hb9 h ARG 445 CO -0.03 -0.12 -0.01 0.77 -1.51 0.00 0.00 179.97 179.08 3hb9 h SER 446 N -0.70 -0.24 -0.58 -3.80 0.02 -0.64 0.14 113.55 107.74 3hb9 h SER 446 Ca -0.04 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hb9 h SER 446 Cb 0.48 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3hb9 h SER 446 CO 0.07 -0.09 0.35 -0.07 -1.14 0.00 0.00 176.83 175.95 3hb9 h LEU 447 N 0.11 0.70 -1.46 5.07 3.38 -1.30 -0.25 115.31 121.56 3hb9 h LEU 447 Ca 0.27 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3hb9 h LEU 447 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hb9 h LEU 447 CO -0.46 0.55 -0.24 0.03 0.09 0.00 0.00 178.44 178.41 3hb9 h ARG 448 N 0.78 0.00 0.00 1.13 3.08 -0.67 -2.71 114.38 115.99 3hb9 h ARG 448 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hb9 h ARG 448 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hb9 h ARG 448 CO -0.04 0.24 -0.46 -1.91 -1.07 0.00 0.00 179.97 176.74 3hb9 n GLU 449 N -3.72 0.04 -2.00 0.04 2.13 0.41 -4.89 120.64 112.66 3hb9 n GLU 449 Ca -0.01 0.01 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 3hb9 n GLU 449 Cb 0.35 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.54 3hb9 n GLU 449 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3hb9 s MET 450 N -3.02 3.89 -0.37 5.31 -1.94 -0.17 -4.76 119.30 118.23 3hb9 s MET 450 Ca 0.11 2.21 0.00 0.00 -1.71 0.00 0.00 55.69 56.29 3hb9 s MET 450 Cb 0.17 -2.72 0.13 0.00 2.01 0.00 0.00 34.83 34.42 3hb9 s MET 450 CO 0.68 -0.57 0.20 1.03 -0.01 0.00 0.00 175.02 176.35 3hb9 s ARG 451 N -2.30 0.76 -0.16 2.03 0.52 0.04 -5.03 118.95 114.81 3hb9 s ARG 451 Ca 0.58 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3hb9 s ARG 451 Cb -0.39 -1.68 0.03 0.00 0.52 0.00 0.00 34.95 33.43 3hb9 s ARG 451 CO 0.50 -1.15 -0.11 0.42 0.02 0.00 0.00 175.30 174.98 3hb9 s ILE 452 N 1.01 1.45 0.07 1.52 1.01 -1.26 -2.01 121.20 122.99 3hb9 s ILE 452 Ca 0.16 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3hb9 s ILE 452 Cb -0.22 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3hb9 s ILE 452 CO -0.06 0.34 -0.08 -0.13 0.00 0.00 0.00 174.94 175.02 3hb9 s ARG 453 N 1.52 0.70 0.00 2.79 0.52 -1.24 -4.78 118.95 118.47 3hb9 s ARG 453 Ca 0.03 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3hb9 s ARG 453 Cb -0.14 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.05 3hb9 s ARG 453 CO -0.09 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.66 3hb9 n GLY 454 N 0.69 2.89 3.40 -3.53 0.00 -1.26 -3.70 105.19 103.68 3hb9 n GLY 454 Ca -0.17 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.34 2.46 0.18 1.61 -7.23 -1.26 -4.81 120.40 110.00 3hb9 s VAL 455 Ca 0.00 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 3hb9 s VAL 455 Cb 0.00 -1.99 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 3hb9 s VAL 455 CO 0.00 0.36 1.21 -0.54 -0.31 0.00 0.00 175.10 175.82 3hb9 s LYS 456 N -1.32 4.48 0.24 4.82 1.02 -1.26 -5.02 119.74 122.70 3hb9 s LYS 456 Ca 0.13 1.90 0.11 0.00 0.02 0.00 0.00 55.97 58.12 3hb9 s LYS 456 Cb -0.10 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 3hb9 s LYS 456 CO 0.03 -0.11 -0.19 0.95 -0.92 0.00 0.00 175.35 175.11 3hb9 s THR 457 N -0.00 2.24 -2.06 2.17 -4.23 -1.26 -4.21 115.64 108.29 3hb9 s THR 457 Ca 0.53 -2.28 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 3hb9 s THR 457 Cb -0.33 -2.18 0.31 0.00 1.34 0.00 0.00 72.50 71.64 3hb9 s THR 457 CO 0.37 -0.40 1.31 -0.46 -0.54 0.00 0.00 174.62 174.90 3hb9 n ASN 458 N -0.38 1.44 -0.02 3.99 6.94 -1.06 -4.47 115.26 121.69 3hb9 n ASN 458 Ca -0.07 -1.90 -0.09 0.00 -0.02 0.00 0.00 54.58 52.50 3hb9 n ASN 458 Cb 0.59 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.83 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 1.66 0.35 -0.36 1.53 2.04 -1.91 -1.10 117.51 119.71 3hb9 h ILE 459 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3hb9 h ILE 459 Cb 0.38 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3hb9 h ILE 459 CO 0.00 0.00 0.26 -0.65 0.00 0.00 0.00 178.15 177.76 3hb9 h PRO 460 N -0.31 0.10 -0.05 2.37 0.11 -1.96 -1.28 132.00 130.98 3hb9 h PRO 460 Ca 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3hb9 h PRO 460 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3hb9 h PRO 460 CO -0.37 0.07 -0.15 0.35 -0.21 0.00 0.00 178.00 177.69 3hb9 h PHE 461 N 0.10 0.24 -0.84 0.65 3.57 -1.65 -3.16 116.94 115.85 3hb9 h PHE 461 Ca 0.17 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3hb9 h PHE 461 Cb 0.55 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3hb9 h PHE 461 CO -0.00 0.77 0.51 -0.07 -2.23 0.00 0.00 178.31 177.29 3hb9 h LEU 462 N -0.36 0.80 -0.18 0.59 3.38 -0.45 -2.12 115.31 116.97 3hb9 h LEU 462 Ca -0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hb9 h LEU 462 Cb 0.77 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3hb9 h LEU 462 CO 0.03 0.51 -0.15 0.40 0.09 0.00 0.00 178.44 179.33 3hb9 h ILE 463 N 0.94 0.59 -0.32 1.22 2.04 -1.35 -1.36 117.51 119.27 3hb9 h ILE 463 Ca 0.37 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.27 3hb9 h ILE 463 Cb 0.17 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3hb9 h ILE 463 CO -0.17 0.00 0.22 0.78 0.00 0.00 0.00 178.15 178.97 3hb9 h ASN 464 N -0.16 0.20 0.10 1.72 4.21 -1.36 0.16 115.58 120.45 3hb9 h ASN 464 Ca 0.11 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 3hb9 h ASN 464 Cb 0.32 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3hb9 h ASN 464 CO -0.28 0.14 -0.05 0.58 -1.29 0.00 0.00 177.43 176.53 3hb9 h VAL 465 N 0.23 1.13 -0.43 2.81 2.07 -0.91 -2.61 116.25 118.54 3hb9 h VAL 465 Ca 0.14 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3hb9 h VAL 465 Cb 0.26 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hb9 h VAL 465 CO -0.03 0.23 0.05 0.24 0.02 0.00 0.00 177.57 178.08 3hb9 h MET 466 N -0.60 0.66 0.00 1.57 2.86 -0.64 -2.82 114.93 115.96 3hb9 h MET 466 Ca -0.01 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 3hb9 h MET 466 Cb 0.48 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3hb9 h MET 466 CO 0.02 0.65 -0.21 -0.22 1.06 0.00 0.00 176.91 178.21 3hb9 h LYS 467 N 0.63 0.00 -6.95 1.72 3.11 -0.78 -3.43 116.57 110.87 3hb9 h LYS 467 Ca 0.14 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.44 3hb9 h LYS 467 Cb 0.33 0.00 0.10 0.00 -1.00 0.00 0.00 32.23 31.66 3hb9 h LYS 467 CO 0.01 0.21 0.69 1.21 -2.81 0.00 0.00 179.45 178.76 3hb9 s ASN 468 N -6.24 6.24 0.30 4.20 3.84 -0.98 -4.94 114.94 117.36 3hb9 s ASN 468 Ca 0.04 2.85 0.01 0.00 0.21 0.00 0.00 52.86 55.98 3hb9 s ASN 468 Cb 0.07 -2.65 0.49 0.00 -0.55 0.00 0.00 41.25 38.61 3hb9 s ASN 468 CO 0.68 -0.92 1.84 0.11 -2.79 0.00 0.00 177.10 176.01 3hb9 h LYS 469 N 2.74 0.67 -0.59 0.43 1.57 -1.90 -2.91 116.57 116.58 3hb9 h LYS 469 Ca -0.50 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.08 3hb9 h LYS 469 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3hb9 h LYS 469 CO 0.63 0.66 0.15 0.87 -0.57 0.00 0.00 179.45 181.19 3hb9 h LYS 470 N 0.64 0.91 -0.12 3.15 1.57 -1.93 -2.97 116.57 117.81 3hb9 h LYS 470 Ca 0.14 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3hb9 h LYS 470 Cb 0.35 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hb9 h LYS 470 CO 0.01 0.80 -0.18 0.35 -0.57 0.00 0.00 179.45 179.86 3hb9 h PHE 471 N 0.87 0.41 0.00 -1.35 3.04 -1.78 -3.24 116.94 114.89 3hb9 h PHE 471 Ca 0.19 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3hb9 h PHE 471 Cb 0.30 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.73 3hb9 h PHE 471 CO 0.02 0.78 0.00 1.79 -2.02 0.00 0.00 178.31 178.88 3hb9 h THR 472 N -0.07 0.00 0.00 4.41 1.35 -1.48 -1.90 112.91 115.21 3hb9 h THR 472 Ca 0.01 -0.32 -0.15 0.00 -0.55 0.00 0.00 66.41 65.40 3hb9 h THR 472 Cb 0.74 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3hb9 h THR 472 CO 0.04 0.00 -0.72 0.77 -0.25 0.00 0.00 175.52 175.36 3hb9 h SER 473 N 0.00 0.00 0.00 5.36 4.64 -1.55 -3.47 113.55 118.53 3hb9 h SER 473 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hb9 h SER 473 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hb9 h SER 473 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3hb9 n GLY 474 N 0.56 1.33 0.62 -0.77 0.00 -0.72 -4.83 105.19 101.38 3hb9 n GLY 474 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 1.86 -4.70 1.61 10.43 -1.26 -4.60 116.55 119.88 3hb9 n ASP 475 Ca 0.00 -1.74 -0.39 0.00 2.57 0.00 0.00 54.79 55.23 3hb9 n ASP 475 Cb 0.00 -0.12 0.04 0.00 1.84 0.00 0.00 41.12 42.88 3hb9 n ASP 475 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hb9 n TYR 476 N 0.45 1.92 -3.64 1.24 4.11 -1.26 -5.04 117.16 114.94 3hb9 n TYR 476 Ca 0.16 0.45 -0.21 0.00 -0.00 0.00 0.00 57.90 58.31 3hb9 n TYR 476 Cb 0.36 -2.32 0.02 0.00 -0.00 0.00 0.00 39.34 37.40 3hb9 n TYR 476 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3hb9 n THR 477 N -0.98 0.00 0.33 -3.48 -2.24 -1.26 -4.86 114.28 101.79 3hb9 n THR 477 Ca 0.10 -1.83 0.15 0.00 -2.27 0.00 0.00 64.05 60.21 3hb9 n THR 477 Cb 0.44 -0.21 0.63 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.51 0.00 0.00 4.28 1.35 -1.22 -2.31 112.91 115.52 3hb9 h THR 478 Ca -0.28 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3hb9 h THR 478 Cb 1.09 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3hb9 h THR 478 CO 0.44 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.00 3hb9 n LYS 479 N -2.70 0.21 -0.11 4.72 4.76 -1.26 -4.37 118.16 119.42 3hb9 n LYS 479 Ca 0.01 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.42 3hb9 n LYS 479 Cb 0.25 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.00 -1.43 -0.27 2.13 3.57 -1.71 0.07 116.94 119.30 3hb9 h PHE 480 Ca 0.00 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3hb9 h PHE 480 Cb 0.28 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3hb9 h PHE 480 CO 0.00 -0.41 0.08 0.82 -2.23 0.00 0.00 178.31 176.57 3hb9 h ILE 481 N -0.34 0.92 0.00 1.41 1.08 -1.76 -2.07 117.51 116.75 3hb9 h ILE 481 Ca 0.06 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 3hb9 h ILE 481 Cb 0.50 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 3hb9 h ILE 481 CO -0.50 0.04 -0.28 1.05 -0.69 0.00 0.00 178.15 177.77 3hb9 h GLU 482 N 0.20 0.00 -0.01 2.37 4.11 -1.78 -3.01 114.58 116.46 3hb9 h GLU 482 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 3hb9 h GLU 482 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hb9 h GLU 482 CO -0.13 0.28 -0.09 0.39 0.07 0.00 0.00 179.01 179.53 3hb9 n GLU 483 N -3.38 1.19 -3.86 1.06 1.02 -0.00 -4.69 120.64 111.96 3hb9 n GLU 483 Ca 0.00 -0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 56.24 3hb9 n GLU 483 Cb 0.49 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.23 1.47 0.20 2.62 2.01 -0.82 -5.01 115.64 113.89 3hb9 s THR 484 Ca 0.34 -1.74 0.08 0.00 0.31 0.00 0.00 61.69 60.68 3hb9 s THR 484 Cb 0.20 -2.06 -0.11 0.00 0.01 0.00 0.00 72.50 70.54 3hb9 s THR 484 CO 0.42 -0.59 1.46 -0.65 -0.69 0.00 0.00 174.62 174.56 3hb9 h PRO 485 N 7.89 0.01 0.00 4.92 0.11 -1.84 -3.31 132.00 139.79 3hb9 h PRO 485 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3hb9 h PRO 485 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hb9 h PRO 485 CO 0.48 0.80 0.00 -0.85 -0.21 0.00 0.00 178.00 178.22 3hb9 n GLU 486 N -3.61 0.89 0.21 1.05 0.00 -1.26 -2.85 120.64 115.07 3hb9 n GLU 486 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3hb9 n GLU 486 Cb 0.76 -1.17 0.49 0.00 0.00 0.00 0.00 31.44 31.52 3hb9 n GLU 486 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hb9 h LEU 487 N 0.00 0.00 -2.04 -1.84 3.38 -1.91 -2.95 115.31 109.95 3hb9 h LEU 487 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hb9 h LEU 487 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hb9 h LEU 487 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3hb9 n PHE 488 N -2.80 0.14 -2.29 1.13 3.01 -1.13 -4.74 117.46 110.77 3hb9 n PHE 488 Ca 0.02 -0.07 -0.34 0.00 1.01 0.00 0.00 57.45 58.08 3hb9 n PHE 488 Cb 0.36 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 3hb9 n PHE 488 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hb9 s ASP 489 N -1.85 5.80 -0.05 4.37 2.15 -1.12 -4.91 116.67 121.06 3hb9 s ASP 489 Ca 0.31 -1.24 -0.02 0.00 0.43 0.00 0.00 52.55 52.02 3hb9 s ASP 489 Cb 0.21 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3hb9 s ASP 489 CO 0.30 -2.17 0.11 -0.63 -0.17 0.00 0.00 175.17 172.62 3hb9 s ILE 490 N 7.71 -0.07 0.32 4.11 -1.09 -1.26 -5.07 121.20 125.84 3hb9 s ILE 490 Ca 0.59 0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 59.10 3hb9 s ILE 490 Cb -0.03 -0.20 -0.08 0.00 -1.58 0.00 0.00 42.46 40.58 3hb9 s ILE 490 CO -0.02 0.09 0.69 -1.10 -1.23 0.00 0.00 174.94 173.36 3hb9 s GLN 491 N 1.27 3.88 0.43 2.79 1.11 -1.26 -5.05 119.66 122.83 3hb9 s GLN 491 Ca -0.08 0.49 -0.23 0.00 0.01 0.00 0.00 55.36 55.55 3hb9 s GLN 491 Cb -0.12 -2.49 -0.11 0.00 -1.01 0.00 0.00 33.01 29.29 3hb9 s GLN 491 CO -0.05 0.16 0.90 -2.30 0.01 0.00 0.00 175.29 174.00 3hb9 n PRO 492 N -0.55 1.12 -1.55 2.91 -0.02 -1.26 -4.76 135.00 130.90 3hb9 n PRO 492 Ca 0.02 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3hb9 n PRO 492 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3hb9 n PRO 492 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hb9 n SER 493 N 0.60 1.92 -4.57 2.55 7.64 -1.26 -4.85 113.62 115.65 3hb9 n SER 493 Ca 0.10 -0.70 -0.29 0.00 1.01 0.00 0.00 58.87 58.99 3hb9 n SER 493 Cb 0.40 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.02 3hb9 n SER 493 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hb9 s LEU 494 N 12.31 3.14 -0.26 -3.43 1.02 -1.26 -4.90 118.68 125.29 3hb9 s LEU 494 Ca 1.01 -1.38 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 3hb9 s LEU 494 Cb -0.27 -2.58 0.03 0.00 0.02 0.00 0.00 46.19 43.40 3hb9 s LEU 494 CO 0.24 -2.84 -0.05 -0.62 0.02 0.00 0.00 176.35 173.11 3hb9 s ASP 495 N 6.83 4.43 0.02 2.29 2.15 -1.26 -4.99 116.67 126.15 3hb9 s ASP 495 Ca 0.68 -0.98 0.22 0.00 0.43 0.00 0.00 52.55 52.89 3hb9 s ASP 495 Cb -0.02 -1.67 -0.25 0.00 -0.30 0.00 0.00 42.92 40.68 3hb9 s ASP 495 CO 0.08 -0.16 0.61 0.54 -0.17 0.00 0.00 175.17 176.07 3hb9 n ARG 496 N 4.65 0.65 0.03 4.34 3.00 -1.26 -4.14 116.66 123.92 3hb9 n ARG 496 Ca -0.16 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.85 57.46 3hb9 n ARG 496 Cb 0.46 -1.60 -0.08 0.00 0.00 0.00 0.00 32.46 31.24 3hb9 n ARG 496 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3hb9 h GLY 497 N 3.99 0.00 1.53 -0.13 0.00 -1.97 -2.06 103.07 104.43 3hb9 h GLY 497 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3hb9 h GLY 497 CO 0.00 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.31 3hb9 h THR 498 N -0.13 1.30 -0.73 4.70 2.02 -2.01 -3.16 112.91 114.90 3hb9 h THR 498 Ca 0.00 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 3hb9 h THR 498 Cb 0.13 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3hb9 h THR 498 CO -0.00 0.49 0.40 0.11 0.37 0.00 0.00 175.52 176.89 3hb9 h LYS 499 N 0.43 1.01 -0.24 6.66 1.57 -1.68 -2.06 116.57 122.26 3hb9 h LYS 499 Ca 0.04 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3hb9 h LYS 499 Cb 0.88 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3hb9 h LYS 499 CO 0.08 0.73 -0.02 1.15 -0.57 0.00 0.00 179.45 180.82 3hb9 h THR 500 N 1.01 1.27 -0.58 -0.16 2.02 -1.35 -2.71 112.91 112.42 3hb9 h THR 500 Ca 0.26 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3hb9 h THR 500 Cb 0.02 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3hb9 h THR 500 CO -0.04 0.30 0.38 -0.07 0.37 0.00 0.00 175.52 176.46 3hb9 h LEU 501 N 0.21 0.58 -0.65 2.58 3.38 -1.48 -1.40 115.31 118.51 3hb9 h LEU 501 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hb9 h LEU 501 Cb 0.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3hb9 h LEU 501 CO 0.02 0.40 0.43 -0.33 0.09 0.00 0.00 178.44 179.04 3hb9 h GLU 502 N 0.67 0.87 0.15 1.13 4.39 -1.22 0.10 114.58 120.67 3hb9 h GLU 502 Ca 0.23 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3hb9 h GLU 502 Cb 0.09 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3hb9 h GLU 502 CO -0.06 0.58 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.38 3hb9 h TYR 503 N 0.89 -0.19 -0.92 4.33 5.03 -1.00 -0.51 116.97 124.60 3hb9 h TYR 503 Ca 0.24 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.67 3hb9 h TYR 503 Cb -0.09 0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.17 3hb9 h TYR 503 CO -0.03 0.25 0.54 0.82 -1.32 0.00 0.00 178.16 178.42 3hb9 h ILE 504 N -0.73 0.87 -0.29 1.81 1.08 -1.33 -1.41 117.51 117.51 3hb9 h ILE 504 Ca -0.02 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3hb9 h ILE 504 Cb 0.52 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3hb9 h ILE 504 CO 0.03 0.15 0.19 1.23 -0.69 0.00 0.00 178.15 179.06 3hb9 h GLY 505 N 0.84 0.42 0.73 5.37 0.00 -0.72 -2.14 103.07 107.57 3hb9 h GLY 505 Ca 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 3hb9 h GLY 505 CO -0.29 0.16 -0.04 -0.57 0.00 0.00 0.00 176.54 175.80 3hb9 h ASN 506 N 0.39 -0.09 -0.35 0.19 -0.00 -0.27 -2.93 115.58 112.51 3hb9 h ASN 506 Ca 0.11 -0.24 -0.06 0.00 -0.00 0.00 0.00 56.30 56.11 3hb9 h ASN 506 Cb -0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.30 3hb9 h ASN 506 CO -0.02 0.19 0.04 0.58 -0.00 0.00 0.00 177.43 178.22 3hb9 h VAL 507 N -0.38 1.22 -0.60 2.57 2.07 -1.32 -0.05 116.25 119.75 3hb9 h VAL 507 Ca -0.01 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 3hb9 h VAL 507 Cb 0.33 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3hb9 h VAL 507 CO 0.02 0.30 0.16 0.74 0.02 0.00 0.00 177.57 178.81 3hb9 h THR 508 N 0.65 1.25 0.09 2.57 2.02 -1.40 0.18 112.91 118.26 3hb9 h THR 508 Ca 0.14 -0.88 -0.28 0.00 0.77 0.00 0.00 66.41 66.16 3hb9 h THR 508 Cb 0.35 0.67 0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3hb9 h THR 508 CO 0.01 0.33 -1.15 0.40 0.37 0.00 0.00 175.52 175.48 3hb9 h ILE 509 N 0.87 1.30 0.00 3.11 1.08 -1.30 -3.41 117.51 119.15 3hb9 h ILE 509 Ca 0.19 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 3hb9 h ILE 509 Cb 0.33 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3hb9 h ILE 509 CO -0.00 0.73 -1.22 0.59 -0.69 0.00 0.00 178.15 177.55 3hb9 n ASN 510 N -3.85 3.51 0.00 1.72 3.02 -0.06 -4.81 115.26 114.79 3hb9 n ASN 510 Ca -0.13 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3hb9 n ASN 510 Cb 0.94 1.26 0.00 0.00 -0.61 0.00 0.00 39.78 41.37 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 2.12 -1.56 3.07 7.41 0.00 0.61 -5.01 105.19 111.83 3hb9 n GLY 511 Ca -0.01 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 -0.23 -0.35 1.61 5.36 -1.26 -4.41 117.98 118.71 3hb9 s PHE 512 Ca 0.00 0.57 -0.43 0.00 -0.96 0.00 0.00 56.93 56.11 3hb9 s PHE 512 Cb 0.00 0.06 -0.18 0.00 -0.34 0.00 0.00 43.02 42.56 3hb9 s PHE 512 CO 0.00 -0.13 1.65 -0.35 -1.46 0.00 0.00 175.22 174.93 3hb9 n PRO 513 N 3.24 0.64 -1.20 10.12 -0.04 -1.26 -1.89 135.00 144.61 3hb9 n PRO 513 Ca -0.15 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 3hb9 n PRO 513 Cb 0.57 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 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 4.58 -4.89 -4.24 3.54 5.03 -1.26 -5.00 115.26 113.02 3hb9 n ASN 515 Ca 0.28 0.17 -0.34 0.00 0.87 0.00 0.00 54.58 55.56 3hb9 n ASN 515 Cb 0.05 -2.99 -0.15 0.00 -1.02 0.00 0.00 39.78 35.67 3hb9 n ASN 515 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hb9 s VAL 516 N -1.90 2.72 -0.24 2.41 1.01 -0.79 -4.81 120.40 118.80 3hb9 s VAL 516 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 61.98 60.93 3hb9 s VAL 516 Cb 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 3hb9 s VAL 516 CO 0.00 0.50 2.15 1.21 0.00 0.00 0.00 175.10 178.95 3hb9 n GLU 517 N 4.40 1.70 -1.53 2.72 2.13 -1.26 -4.48 120.64 124.32 3hb9 n GLU 517 Ca -0.19 0.51 -0.40 0.00 0.66 0.00 0.00 57.16 57.73 3hb9 n GLU 517 Cb 0.51 -2.85 -0.05 0.00 0.27 0.00 0.00 31.44 29.32 3hb9 n GLU 517 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hb9 n LYS 518 N 8.17 1.03 -3.66 5.31 3.00 -1.26 -4.89 118.16 125.86 3hb9 n LYS 518 Ca 0.33 0.12 -0.11 0.00 -0.00 0.00 0.00 58.31 58.65 3hb9 n LYS 518 Cb 0.34 -2.98 -0.05 0.00 0.00 0.00 0.00 35.03 32.34 3hb9 n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hb9 s ARG 519 N 7.81 1.02 0.26 1.64 1.70 -1.26 -5.14 118.95 124.97 3hb9 s ARG 519 Ca 1.06 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 55.37 3hb9 s ARG 519 Cb -0.46 0.45 -0.14 0.00 -0.57 0.00 0.00 34.95 34.22 3hb9 s ARG 519 CO 0.34 -0.38 1.14 -2.30 -1.08 0.00 0.00 175.30 173.02 3hb9 n PRO 520 N -0.05 1.51 -1.50 3.89 -0.02 -1.26 -4.80 135.00 132.76 3hb9 n PRO 520 Ca -0.16 0.53 -0.59 0.00 -2.02 0.00 0.00 63.50 61.26 3hb9 n PRO 520 Cb 0.63 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.14 0.51 -1.90 -0.52 4.81 -1.26 -4.87 118.16 116.07 3hb9 n LYS 521 Ca 0.11 0.16 -0.34 0.00 -0.87 0.00 0.00 58.31 57.37 3hb9 n LYS 521 Cb 0.31 -1.86 0.03 0.00 0.02 0.00 0.00 35.03 33.54 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 4.89 2.95 0.20 1.64 0.02 -1.26 -4.99 135.00 138.46 3hb9 s PRO 522 Ca 1.10 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 3hb9 s PRO 522 Cb -1.26 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 3hb9 s PRO 522 CO 0.65 -1.14 1.21 0.34 -0.33 0.00 0.00 177.00 177.74 3hb9 s ASP 523 N -2.33 7.06 0.05 2.53 -1.08 -1.26 -5.05 116.67 116.59 3hb9 s ASP 523 Ca 0.69 2.28 0.06 0.00 -0.52 0.00 0.00 52.55 55.05 3hb9 s ASP 523 Cb -0.22 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.61 3hb9 s ASP 523 CO 0.37 -0.39 -0.16 -0.31 0.52 0.00 0.00 175.17 175.21 3hb9 s TYR 524 N -0.13 1.38 0.44 -5.34 1.51 -1.26 -5.12 117.35 108.82 3hb9 s TYR 524 Ca 0.53 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 56.00 3hb9 s TYR 524 Cb -0.33 -0.81 -0.10 0.00 -0.11 0.00 0.00 41.96 40.61 3hb9 s TYR 524 CO 0.38 0.06 1.00 -1.21 -1.11 0.00 0.00 175.55 174.67 3hb9 s GLU 525 N -1.27 4.09 0.08 -0.62 2.02 -1.26 -4.99 118.70 116.75 3hb9 s GLU 525 Ca 0.03 1.29 -0.31 0.00 0.02 0.00 0.00 54.97 56.00 3hb9 s GLU 525 Cb -0.08 -2.26 -0.08 0.00 0.10 0.00 0.00 34.13 31.81 3hb9 s GLU 525 CO 0.02 -0.17 1.53 -0.51 0.02 0.00 0.00 175.26 176.15 3hb9 s LEU 526 N -3.11 4.36 -0.31 1.80 1.43 -1.26 -4.98 118.68 116.59 3hb9 s LEU 526 Ca 0.62 2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 55.95 3hb9 s LEU 526 Cb -0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 3hb9 s LEU 526 CO 0.19 -0.80 0.47 0.00 0.23 0.00 0.00 176.35 176.45 3hb9 s ALA 527 N 2.05 3.52 -0.23 4.21 0.00 -1.26 -5.04 121.76 125.01 3hb9 s ALA 527 Ca 0.69 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 3hb9 s ALA 527 Cb -0.38 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3hb9 s ALA 527 CO 0.30 -0.99 1.28 -1.54 0.00 0.00 0.00 175.76 174.81 3hb9 s SER 528 N 1.69 6.81 -0.35 0.00 1.04 -1.26 -4.99 113.70 116.64 3hb9 s SER 528 Ca 0.18 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 57.92 3hb9 s SER 528 Cb -0.16 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 3hb9 s SER 528 CO 0.12 -0.92 0.30 -0.63 0.98 0.00 0.00 173.24 173.09 3hb9 s ILE 529 N 3.93 5.23 0.31 -1.02 1.01 -1.26 -4.82 121.20 124.58 3hb9 s ILE 529 Ca 0.55 -0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 3hb9 s ILE 529 Cb -0.19 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3hb9 s ILE 529 CO 0.18 -0.10 1.08 -2.84 0.00 0.00 0.00 174.94 173.27 3hb9 s PRO 530 N 1.85 4.50 0.12 2.79 0.02 -1.26 -5.05 135.00 137.97 3hb9 s PRO 530 Ca 0.08 1.72 0.09 0.00 0.02 0.00 0.00 61.00 62.92 3hb9 s PRO 530 Cb -0.17 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3hb9 s PRO 530 CO 0.11 0.11 -0.23 0.99 -0.33 0.00 0.00 177.00 177.65 3hb9 s THR 531 N -1.30 1.96 -0.04 0.99 2.01 -1.26 -4.31 115.64 113.68 3hb9 s THR 531 Ca 0.48 -1.69 0.03 0.00 0.31 0.00 0.00 61.69 60.82 3hb9 s THR 531 Cb -0.29 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.45 3hb9 s THR 531 CO 0.37 -0.03 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 3hb9 s VAL 532 N -1.24 0.98 0.82 3.82 1.01 -1.26 -4.86 120.40 119.67 3hb9 s VAL 532 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3hb9 s VAL 532 Cb -0.09 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.49 3hb9 s VAL 532 CO 0.05 0.31 1.14 -0.94 0.00 0.00 0.00 175.10 175.66 3hb9 s SER 533 N 0.39 3.81 0.25 3.32 1.04 -1.26 -4.82 113.70 116.44 3hb9 s SER 533 Ca -0.08 2.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.39 3hb9 s SER 533 Cb -0.12 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 63.82 3hb9 s SER 533 CO 0.02 -2.51 1.86 0.77 0.98 0.00 0.00 173.24 174.36 3hb9 h SER 534 N -1.23 0.93 -0.33 7.02 4.64 -1.99 -2.82 113.55 119.76 3hb9 h SER 534 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hb9 h SER 534 Cb 1.26 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3hb9 h SER 534 CO 0.47 0.59 0.21 0.28 -0.87 0.00 0.00 176.83 177.51 3hb9 h SER 535 N 1.06 0.38 -0.24 4.97 0.02 -1.99 -1.00 113.55 116.76 3hb9 h SER 535 Ca 0.40 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.26 3hb9 h SER 535 Cb 0.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3hb9 h SER 535 CO -0.18 0.29 -0.09 0.50 -1.14 0.00 0.00 176.83 176.21 3hb9 h LYS 536 N 0.44 0.62 -0.02 3.45 3.64 -1.89 -2.98 116.57 119.83 3hb9 h LYS 536 Ca 0.12 -0.18 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 3hb9 h LYS 536 Cb -0.04 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3hb9 h LYS 536 CO -0.02 0.71 -0.97 0.82 -2.27 0.00 0.00 179.45 177.71 3hb9 h ILE 537 N 0.57 1.32 -0.09 2.00 2.04 -1.36 -3.24 117.51 118.76 3hb9 h ILE 537 Ca 0.11 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 3hb9 h ILE 537 Cb 0.50 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3hb9 h ILE 537 CO 0.03 0.70 0.01 0.00 0.00 0.00 0.00 178.15 178.89 3hb9 h ALA 538 N 0.56 1.85 0.00 1.87 0.00 -1.09 -1.86 119.26 120.59 3hb9 h ALA 538 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hb9 h ALA 538 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3hb9 h ALA 538 CO 0.18 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.21 3hb9 h SER 538 N 0.13 0.00 -3.67 0.00 4.64 -1.55 -3.45 113.55 109.65 3hb9 h SER 538 Ca 0.03 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.83 3hb9 h SER 538 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3hb9 h SER 538 CO -0.00 0.00 0.62 -0.36 -0.87 0.00 0.00 176.83 176.22 3hb9 s PHE 538 N -3.39 3.20 -0.49 4.77 2.99 -0.70 -5.00 117.98 119.36 3hb9 s PHE 538 Ca 0.05 1.37 0.03 0.00 0.00 0.00 0.00 56.93 58.38 3hb9 s PHE 538 Cb 0.08 -3.60 0.13 0.00 0.00 0.00 0.00 43.02 39.63 3hb9 s PHE 538 CO 0.56 -1.70 0.25 0.45 -0.00 0.00 0.00 175.22 174.77 3hb9 s SER 539 N -0.22 4.10 0.00 1.36 0.15 -1.26 -4.86 113.70 112.96 3hb9 s SER 539 Ca 0.51 -2.86 0.00 0.00 0.70 0.00 0.00 55.95 54.30 3hb9 s SER 539 Cb -0.38 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 3hb9 s SER 539 CO 0.46 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.26 3hb9 n GLY 540 N 3.28 2.19 0.11 9.45 0.00 -1.23 -4.95 105.19 114.04 3hb9 n GLY 540 Ca 0.06 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.39 3hb9 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hb9 h THR 541 N 0.00 0.00 -0.37 2.61 1.35 -1.69 -2.89 112.91 111.91 3hb9 h THR 541 Ca 0.00 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.20 3hb9 h THR 541 Cb 0.00 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3hb9 h THR 541 CO 0.00 0.00 -0.07 0.50 -0.25 0.00 0.00 175.52 175.70 3hb9 h LYS 542 N 0.00 0.70 0.00 4.72 3.11 -1.64 -2.32 116.57 121.14 3hb9 h LYS 542 Ca 0.00 -0.26 -0.05 0.00 -2.81 0.00 0.00 60.65 57.54 3hb9 h LYS 542 Cb 0.79 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 3hb9 h LYS 542 CO 0.00 0.84 -0.21 1.96 -2.81 0.00 0.00 179.45 179.22 3hb9 h GLN 543 N 0.50 0.00 -0.32 1.90 1.08 -1.75 -2.60 115.11 113.92 3hb9 h GLN 543 Ca 0.10 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 3hb9 h GLN 543 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 3hb9 h GLN 543 CO 0.03 0.21 -0.36 1.25 -0.95 0.00 0.00 178.83 179.02 3hb9 h LEU 544 N 0.00 0.76 -1.26 1.46 5.85 -1.33 -2.85 115.31 117.94 3hb9 h LEU 544 Ca -0.00 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3hb9 h LEU 544 Cb 0.80 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hb9 h LEU 544 CO 0.03 1.04 -0.36 0.25 -0.34 0.00 0.00 178.44 179.06 3hb9 h LEU 545 N 0.60 0.00 -0.41 2.25 5.85 -1.03 -2.70 115.31 119.86 3hb9 h LEU 545 Ca 0.06 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 3hb9 h LEU 545 Cb 0.89 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3hb9 h LEU 545 CO 0.08 0.36 -0.49 0.44 -0.34 0.00 0.00 178.44 178.49 3hb9 h ASP 546 N 0.00 0.86 0.00 1.25 3.32 -1.33 -2.91 116.42 117.61 3hb9 h ASP 546 Ca -0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3hb9 h ASP 546 Cb 0.68 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3hb9 h ASP 546 CO 0.05 1.20 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.36 3hb9 h GLU 547 N 0.62 0.00 -0.01 3.56 5.08 -1.42 -3.41 114.58 119.00 3hb9 h GLU 547 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hb9 h GLU 547 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hb9 h GLU 547 CO 0.11 0.00 -0.44 1.33 -1.00 0.00 0.00 179.01 179.01 3hb9 n VAL 548 N -4.35 0.00 -0.49 3.13 0.24 -1.03 -5.10 118.33 110.74 3hb9 n VAL 548 Ca -0.01 -0.28 0.07 0.00 -2.04 0.00 0.00 64.34 62.07 3hb9 n VAL 548 Cb 0.04 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 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 1.30 -1.66 0.24 7.63 0.00 -1.10 -2.81 105.19 108.78 3hb9 n GLY 549 Ca 0.08 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.46 0.22 -0.51 1.61 0.13 -1.80 0.32 132.00 131.51 3hb9 h PRO 550 Ca -0.00 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hb9 h PRO 550 Cb 0.45 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3hb9 h PRO 550 CO 0.01 0.15 0.30 0.87 -0.23 0.00 0.00 178.00 179.10 3hb9 h LYS 551 N 0.23 0.70 -0.36 0.86 1.79 -1.95 -0.98 116.57 116.85 3hb9 h LYS 551 Ca 0.33 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 3hb9 h LYS 551 Cb 0.51 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3hb9 h LYS 551 CO -0.44 0.51 -0.00 0.78 -1.08 0.00 0.00 179.45 179.21 3hb9 h GLY 552 N 0.68 0.62 0.94 3.86 0.00 -1.15 -1.14 103.07 106.88 3hb9 h GLY 552 Ca 0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3hb9 h GLY 552 CO -0.03 0.35 0.07 -2.08 0.00 0.00 0.00 176.54 174.85 3hb9 h VAL 553 N 0.55 1.24 -0.49 4.60 2.07 -0.67 -1.75 116.25 121.80 3hb9 h VAL 553 Ca 0.12 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3hb9 h VAL 553 Cb 0.36 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3hb9 h VAL 553 CO 0.01 0.30 0.22 0.00 0.02 0.00 0.00 177.57 178.12 3hb9 h ALA 554 N 0.94 0.61 -0.65 1.67 0.00 -0.65 -2.05 119.26 119.13 3hb9 h ALA 554 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hb9 h ALA 554 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hb9 h ALA 554 CO 0.01 -0.14 0.10 0.93 0.00 0.00 0.00 179.25 180.15 3hb9 h GLU 555 N 0.44 1.07 -0.77 0.00 4.39 -1.13 -3.03 114.58 115.55 3hb9 h GLU 555 Ca 0.22 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3hb9 h GLU 555 Cb 0.16 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3hb9 h GLU 555 CO -0.18 0.99 0.31 2.35 -1.16 0.00 0.00 179.01 181.32 3hb9 h TRP 556 N 0.99 1.16 -0.81 4.33 7.01 -1.04 -2.66 115.95 124.92 3hb9 h TRP 556 Ca 0.20 -0.09 0.07 0.00 2.11 0.00 0.00 58.89 61.18 3hb9 h TRP 556 Cb 0.44 -0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 27.09 3hb9 h TRP 556 CO 0.03 0.88 0.48 0.28 -2.79 0.00 0.00 178.44 177.33 3hb9 h VAL 557 N 1.11 0.99 -0.28 2.65 2.07 -1.26 -2.07 116.25 119.45 3hb9 h VAL 557 Ca 0.26 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3hb9 h VAL 557 Cb 0.21 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hb9 h VAL 557 CO -0.02 0.16 0.03 0.11 0.02 0.00 0.00 177.57 177.87 3hb9 h LYS 558 N 0.86 0.41 0.00 1.57 1.57 -1.38 -2.68 116.57 116.93 3hb9 h LYS 558 Ca 0.37 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3hb9 h LYS 558 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hb9 h LYS 558 CO -0.20 0.42 -0.32 0.87 -0.57 0.00 0.00 179.45 179.65 3hb9 h LYS 559 N 0.41 0.00 -6.17 3.15 6.56 -1.18 -3.44 116.57 115.89 3hb9 h LYS 559 Ca 0.09 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.12 3hb9 h LYS 559 Cb 0.22 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 3hb9 h LYS 559 CO 0.00 0.32 0.90 -0.65 -2.06 0.00 0.00 179.45 177.96 3hb9 s GLN 560 N -4.18 4.24 0.19 3.15 -1.52 -1.01 -4.91 119.66 115.62 3hb9 s GLN 560 Ca -0.03 1.71 0.07 0.00 -1.95 0.00 0.00 55.36 55.16 3hb9 s GLN 560 Cb 0.14 -3.76 0.06 0.00 -0.22 0.00 0.00 33.01 29.24 3hb9 s GLN 560 CO 0.70 -0.69 1.44 0.22 -0.25 0.00 0.00 175.29 176.70 3hb9 h ASP 561 N 8.23 0.07 -4.23 5.90 -0.00 -1.88 -3.46 116.42 121.05 3hb9 h ASP 561 Ca -0.28 -0.06 -0.53 0.00 -0.00 0.00 0.00 57.03 56.17 3hb9 h ASP 561 Cb 1.11 -0.02 0.17 0.00 -0.00 0.00 0.00 39.33 40.59 3hb9 h ASP 561 CO 0.96 0.85 0.32 -1.81 -0.00 0.00 0.00 179.24 179.56 3hb9 s ASP 562 N -6.82 3.80 -0.14 2.28 1.11 -1.26 -4.78 116.67 110.86 3hb9 s ASP 562 Ca -0.01 2.21 -0.27 0.00 0.18 0.00 0.00 52.55 54.66 3hb9 s ASP 562 Cb 0.11 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.52 3hb9 s ASP 562 CO 0.80 -2.52 0.91 -0.69 1.18 0.00 0.00 175.17 174.85 3hb9 s VAL 563 N -2.36 4.84 0.40 -1.27 1.01 -0.40 -4.95 120.40 117.65 3hb9 s VAL 563 Ca 0.69 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 64.42 3hb9 s VAL 563 Cb -0.25 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 3hb9 s VAL 563 CO 0.51 0.02 0.71 -0.76 0.00 0.00 0.00 175.10 175.58 3hb9 s LEU 564 N 2.06 3.83 -0.03 3.92 1.43 -0.52 -1.72 118.68 127.66 3hb9 s LEU 564 Ca 0.43 0.91 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 3hb9 s LEU 564 Cb -0.17 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 3hb9 s LEU 564 CO 0.15 -0.40 -0.18 -0.22 0.23 0.00 0.00 176.35 175.93 3hb9 s LEU 565 N -4.10 1.99 -0.18 1.79 0.20 -1.26 -2.06 118.68 115.05 3hb9 s LEU 565 Ca 0.47 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.96 3hb9 s LEU 565 Cb -0.10 -0.97 0.02 0.00 -0.43 0.00 0.00 46.19 44.70 3hb9 s LEU 565 CO 0.36 0.20 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.53 3hb9 s THR 566 N -0.23 2.08 0.14 3.68 2.01 0.34 -0.56 115.64 123.10 3hb9 s THR 566 Ca 0.02 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 3hb9 s THR 566 Cb -0.09 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.47 3hb9 s THR 566 CO 0.01 0.52 0.81 -0.62 -0.69 0.00 0.00 174.62 174.65 3hb9 s ASP 567 N 1.29 7.40 0.00 3.53 2.15 -0.97 -0.17 116.67 129.89 3hb9 s ASP 567 Ca 0.05 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.68 3hb9 s ASP 567 Cb -0.13 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3hb9 s ASP 567 CO -0.13 0.13 0.95 0.35 -0.17 0.00 0.00 175.17 176.30 3hb9 n THR 568 N 1.96 0.89 -0.13 1.71 -2.24 -0.44 -0.89 114.28 115.15 3hb9 n THR 568 Ca -0.04 -0.92 0.12 0.00 -2.27 0.00 0.00 64.05 60.94 3hb9 n THR 568 Cb 0.49 0.56 0.47 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.14 0.88 0.00 4.28 2.02 -1.81 -0.42 112.91 117.99 3hb9 h THR 569 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hb9 h THR 569 Cb 0.49 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3hb9 h THR 569 CO 0.00 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.47 3hb9 n PHE 570 N -4.48 0.87 0.00 3.16 3.72 -1.26 -4.35 117.46 115.13 3hb9 n PHE 570 Ca 0.12 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 3hb9 n PHE 570 Cb 0.40 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3hb9 n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hb9 n ARG 571 N -2.22 0.00 0.23 -1.08 0.00 -0.37 -4.71 116.66 108.51 3hb9 n ARG 571 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.00 3hb9 n ARG 571 Cb 0.41 0.00 0.53 0.00 0.00 0.00 0.00 32.46 33.40 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 0.00 0.12 6.15 -0.00 -1.63 -1.41 116.42 119.65 3hb9 h ASP 572 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3hb9 h ASP 572 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3hb9 h ASP 572 CO 0.00 0.22 -0.07 0.00 -0.00 0.00 0.00 179.24 179.40 3hb9 h ALA 573 N 1.78 -0.17 0.00 -0.78 0.00 -1.40 -0.53 119.26 118.16 3hb9 h ALA 573 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hb9 h ALA 573 Cb 0.62 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hb9 h ALA 573 CO 0.03 -0.60 -0.58 1.12 0.00 0.00 0.00 179.25 179.22 3hb9 h HIS 574 N -0.17 0.00 -0.74 0.00 2.07 -1.70 -0.95 115.15 113.65 3hb9 h HIS 574 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 3hb9 h HIS 574 Cb 0.14 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.08 3hb9 h HIS 574 CO -0.08 0.21 0.44 0.37 -3.07 0.00 0.00 177.93 175.81 3hb9 h GLN 575 N 0.00 1.00 0.19 5.12 4.15 -1.16 0.10 115.11 124.52 3hb9 h GLN 575 Ca -0.02 -0.09 -0.33 0.00 0.77 0.00 0.00 58.65 58.98 3hb9 h GLN 575 Cb 1.18 -0.21 0.02 0.00 0.21 0.00 0.00 27.48 28.67 3hb9 h GLN 575 CO 0.02 0.71 -1.58 0.77 -1.93 0.00 0.00 178.83 176.82 3hb9 h SER 576 N 1.02 0.63 0.03 -0.69 0.02 -0.97 -3.34 113.55 110.26 3hb9 h SER 576 Ca 0.27 -0.81 -0.38 0.00 -0.84 0.00 0.00 61.79 60.03 3hb9 h SER 576 Cb -0.04 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 3hb9 h SER 576 CO -0.05 1.66 -2.38 0.18 -1.14 0.00 0.00 176.83 175.10 3hb9 n LEU 577 N -3.60 2.06 -1.62 5.07 4.77 -0.37 -4.64 117.00 118.67 3hb9 n LEU 577 Ca -0.19 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 3hb9 n LEU 577 Cb 1.08 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.74 3hb9 n LEU 577 CO 0.55 0.79 0.21 0.18 -1.33 0.00 0.00 177.39 177.78 3hb9 n LEU 578 N -3.14 3.59 -4.05 2.23 4.77 -0.17 -3.12 117.00 117.11 3hb9 n LEU 578 Ca -0.40 -4.10 -0.34 0.00 -0.03 0.00 0.00 56.01 51.14 3hb9 n LEU 578 Cb 1.04 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 3hb9 n LEU 578 CO 0.33 1.66 -0.00 0.00 -1.33 0.00 0.00 177.39 178.04 3hb9 n ALA 579 N -0.74 -1.22 -1.56 -1.18 0.00 -1.08 -1.69 120.51 113.04 3hb9 n ALA 579 Ca 0.29 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.58 3hb9 n ALA 579 Cb 0.87 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.68 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 -4.36 0.00 1.21 0.00 -1.04 0.18 -4.87 114.28 105.40 3hb9 n THR 580 Ca 0.06 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.21 3hb9 n THR 580 Cb 0.50 -1.92 0.53 0.00 -1.82 0.00 0.00 70.33 67.62 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 -2.15 0.36 -1.69 -2.82 5.12 -0.68 -4.82 116.66 109.99 3hb9 n ARG 581 Ca -0.19 -0.13 -0.43 0.00 -1.93 0.00 0.00 57.85 55.17 3hb9 n ARG 581 Cb 0.67 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.21 0.37 -2.97 1.55 0.31 -1.26 -4.95 118.33 110.17 3hb9 n VAL 582 Ca 0.11 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 3hb9 n VAL 582 Cb 0.31 -2.11 0.01 0.00 -0.91 0.00 0.00 33.84 31.13 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 2.75 3.23 0.22 5.55 0.52 -1.26 -5.01 118.95 124.96 3hb9 s ARG 583 Ca 0.82 -0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 55.67 3hb9 s ARG 583 Cb -0.49 -2.53 0.31 0.00 0.52 0.00 0.00 34.95 32.77 3hb9 s ARG 583 CO 0.38 -0.20 1.80 1.15 0.02 0.00 0.00 175.30 178.45 3hb9 h THR 584 N 0.40 0.91 -0.63 0.02 2.02 -1.92 -2.79 112.91 110.92 3hb9 h THR 584 Ca -0.47 -0.23 0.13 0.00 0.77 0.00 0.00 66.41 66.60 3hb9 h THR 584 Cb 1.24 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.70 3hb9 h THR 584 CO 0.59 0.12 -0.12 0.50 0.37 0.00 0.00 175.52 176.98 3hb9 h LYS 585 N 0.68 0.02 0.00 6.66 1.63 -1.90 0.18 116.57 123.84 3hb9 h LYS 585 Ca 0.34 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.05 3hb9 h LYS 585 Cb 0.29 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3hb9 h LYS 585 CO -0.23 0.01 -0.41 -0.44 -3.45 0.00 0.00 179.45 174.93 3hb9 h ASP 586 N 0.02 0.00 0.51 4.20 3.45 -1.86 -2.12 116.42 120.62 3hb9 h ASP 586 Ca 0.31 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.50 3hb9 h ASP 586 Cb 0.49 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.26 3hb9 h ASP 586 CO -0.63 0.41 -1.20 0.24 -1.57 0.00 0.00 179.24 176.50 3hb9 h MET 587 N 0.00 0.34 0.00 3.56 2.86 -1.07 -3.33 114.93 117.30 3hb9 h MET 587 Ca -0.00 -0.52 -0.16 0.00 -2.06 0.00 0.00 59.70 56.96 3hb9 h MET 587 Cb 0.78 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3hb9 h MET 587 CO 0.05 1.22 -0.74 0.97 1.06 0.00 0.00 176.91 179.48 3hb9 h ILE 588 N 0.12 1.46 -0.95 -1.22 6.09 -0.54 -2.72 117.51 119.76 3hb9 h ILE 588 Ca -0.14 -2.60 0.03 0.00 -1.37 0.00 0.00 64.86 60.79 3hb9 h ILE 588 Cb 1.90 2.43 -0.05 0.00 0.47 0.00 0.00 36.82 41.56 3hb9 h ILE 588 CO 0.20 0.73 0.62 0.78 -3.07 0.00 0.00 178.15 177.41 3hb9 h ASN 589 N 0.00 1.04 -0.50 2.19 -0.26 -1.49 -2.77 115.58 113.80 3hb9 h ASN 589 Ca -0.01 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3hb9 h ASN 589 Cb 1.37 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 3hb9 h ASN 589 CO 0.10 0.72 0.00 2.30 -1.06 0.00 0.00 177.43 179.49 3hb9 n ILE 590 N -4.43 1.57 -0.21 2.81 -6.64 -1.22 -4.66 119.36 106.58 3hb9 n ILE 590 Ca 0.12 -1.24 -0.02 0.00 -1.77 0.00 0.00 62.75 59.85 3hb9 n ILE 590 Cb 0.08 0.21 0.09 0.00 -1.44 0.00 0.00 39.64 38.59 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 3.08 0.83 -0.50 -1.28 0.00 -1.17 0.28 119.26 120.50 3hb9 h ALA 591 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3hb9 h ALA 591 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3hb9 h ALA 591 CO 0.13 -0.03 -0.06 0.66 0.00 0.00 0.00 179.25 179.95 3hb9 h SER 592 N 0.59 0.87 -0.30 0.00 4.64 -1.79 0.04 113.55 117.60 3hb9 h SER 592 Ca 0.29 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 3hb9 h SER 592 Cb 0.23 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hb9 h SER 592 CO -0.21 0.97 -0.24 0.50 -0.87 0.00 0.00 176.83 176.98 3hb9 h LYS 593 N 0.81 0.70 -0.25 4.77 1.63 -1.61 -2.96 116.57 119.65 3hb9 h LYS 593 Ca 0.14 -0.35 0.04 0.00 -0.85 0.00 0.00 60.65 59.63 3hb9 h LYS 593 Cb 0.57 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 3hb9 h LYS 593 CO 0.03 0.95 0.02 1.15 -3.45 0.00 0.00 179.45 178.16 3hb9 h THR 594 N 0.45 0.85 -0.97 1.00 2.02 -0.26 0.89 112.91 116.89 3hb9 h THR 594 Ca 0.06 -0.04 0.20 0.00 0.77 0.00 0.00 66.41 67.40 3hb9 h THR 594 Cb 0.80 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 67.83 3hb9 h THR 594 CO 0.06 0.02 0.56 0.00 0.37 0.00 0.00 175.52 176.54 3hb9 h ALA 595 N 1.20 1.63 0.10 6.16 0.00 -0.95 0.98 119.26 128.38 3hb9 h ALA 595 Ca 0.12 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3hb9 h ALA 595 Cb 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hb9 h ALA 595 CO -0.18 -0.14 -0.83 0.22 0.00 0.00 0.00 179.25 178.32 3hb9 h ASP 596 N 0.66 0.55 -0.38 0.00 3.58 -1.26 -2.83 116.42 116.75 3hb9 h ASP 596 Ca 0.58 -0.88 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 3hb9 h ASP 596 Cb 0.97 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 3hb9 h ASP 596 CO -0.42 1.38 0.18 0.58 -2.88 0.00 0.00 179.24 178.09 3hb9 h VAL 597 N -0.20 1.17 -0.63 2.25 2.07 -0.19 -3.03 116.25 117.69 3hb9 h VAL 597 Ca -0.13 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 3hb9 h VAL 597 Cb 1.60 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3hb9 h VAL 597 CO 0.16 0.18 0.16 0.49 0.02 0.00 0.00 177.57 178.57 3hb9 n PHE 598 N -4.71 2.17 -0.17 1.57 3.01 0.28 -3.58 117.46 116.03 3hb9 n PHE 598 Ca -0.00 -0.95 0.20 0.00 1.01 0.00 0.00 57.45 57.71 3hb9 n PHE 598 Cb 0.11 -0.59 0.58 0.00 -0.01 0.00 0.00 39.48 39.57 3hb9 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3hb9 h LYS 599 N 3.00 0.25 -0.16 -1.08 2.10 -1.37 0.31 116.57 119.62 3hb9 h LYS 599 Ca 0.15 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 3hb9 h LYS 599 Cb 2.10 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 3hb9 h LYS 599 CO 0.60 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.97 3hb9 n ASP 600 N -4.43 3.13 -4.73 7.07 8.00 -1.26 -4.64 116.55 119.68 3hb9 n ASP 600 Ca 0.16 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.37 3hb9 n ASP 600 Cb 0.69 -0.09 0.12 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.82 1.67 -0.07 0.44 0.00 0.11 -4.84 107.32 102.81 3hb9 s GLY 601 Ca 0.32 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 3hb9 s GLY 601 CO 0.31 0.72 0.54 -2.75 0.00 0.00 0.00 173.10 171.91 3hb9 h PHE 602 N -1.39 -0.22 -3.30 1.90 3.57 -1.12 -3.43 116.94 112.96 3hb9 h PHE 602 Ca -0.44 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 3hb9 h PHE 602 Cb 1.25 0.07 -0.15 0.00 2.79 0.00 0.00 35.95 39.91 3hb9 h PHE 602 CO 0.54 0.07 -0.16 -1.54 -2.23 0.00 0.00 178.31 174.99 3hb9 s SER 603 N -5.39 -0.18 -0.26 0.41 1.04 -1.15 -3.77 113.70 104.39 3hb9 s SER 603 Ca -0.08 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.05 3hb9 s SER 603 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 3hb9 s SER 603 CO 0.29 -0.72 0.11 -0.76 0.98 0.00 0.00 173.24 173.14 3hb9 s LEU 604 N -2.35 3.63 -0.28 2.42 1.43 0.43 -2.30 118.68 121.65 3hb9 s LEU 604 Ca -0.02 -0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 3hb9 s LEU 604 Cb 0.01 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3hb9 s LEU 604 CO -0.06 -0.04 0.86 -0.70 0.23 0.00 0.00 176.35 176.64 3hb9 s GLU 605 N 1.66 4.07 0.00 1.70 2.12 -0.06 -0.38 118.70 127.80 3hb9 s GLU 605 Ca 0.07 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3hb9 s GLU 605 Cb -0.15 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3hb9 s GLU 605 CO 0.06 -0.65 0.25 0.00 -0.54 0.00 0.00 175.26 174.38 3hb9 n MET 606 N 6.24 0.00 -4.11 4.30 0.00 -0.77 -3.07 117.12 119.72 3hb9 n MET 606 Ca 0.06 -0.25 -0.11 0.00 0.00 0.00 0.00 57.70 57.41 3hb9 n MET 606 Cb 0.48 -0.42 -0.08 0.00 0.00 0.00 0.00 33.22 33.19 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 0.80 0.00 3.17 -0.00 -1.23 -4.76 118.94 116.93 3hb9 s TRP 607 Ca 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 56.10 55.00 3hb9 s TRP 607 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 33.47 33.18 3hb9 s TRP 607 CO 0.00 -0.72 0.00 0.41 -0.00 0.00 0.00 176.95 176.64 3hb9 n GLY 608 N -0.26 -2.38 7.00 5.86 0.00 -1.26 -3.03 105.19 111.12 3hb9 n GLY 608 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.25 2.76 0.89 -0.02 0.00 -1.23 -2.37 105.19 104.97 3hb9 n GLY 609 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.27 -0.07 2.61 -2.24 -1.26 -4.52 114.28 109.06 3hb9 n THR 610 Ca 0.00 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 3hb9 n THR 610 Cb 0.00 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 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 3.74 1.28 -0.50 4.28 1.35 -1.84 0.10 112.91 121.33 3hb9 h THR 611 Ca 0.00 -1.04 0.07 0.00 -0.55 0.00 0.00 66.41 64.89 3hb9 h THR 611 Cb 0.81 1.52 -0.06 0.00 -1.73 0.00 0.00 68.15 68.70 3hb9 h THR 611 CO 0.00 0.32 0.17 0.15 -0.25 0.00 0.00 175.52 175.91 3hb9 h PHE 612 N 0.15 0.30 0.69 4.73 3.57 -1.79 0.70 116.94 125.28 3hb9 h PHE 612 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hb9 h PHE 612 Cb 0.50 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.19 3hb9 h PHE 612 CO 0.05 0.09 -0.33 0.22 -2.23 0.00 0.00 178.31 176.11 3hb9 h ASP 613 N 0.34 -0.78 -0.66 0.41 3.58 -1.84 -3.14 116.42 114.33 3hb9 h ASP 613 Ca 0.24 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.76 3hb9 h ASP 613 Cb 0.26 0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 3hb9 h ASP 613 CO -0.25 -0.47 0.39 0.58 -2.88 0.00 0.00 179.24 176.61 3hb9 h VAL 614 N -1.09 1.03 0.31 2.25 2.07 -0.72 0.12 116.25 120.23 3hb9 h VAL 614 Ca -0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3hb9 h VAL 614 Cb 0.71 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3hb9 h VAL 614 CO 0.15 0.14 -0.41 0.00 0.02 0.00 0.00 177.57 177.47 3hb9 h ALA 615 N 1.31 -0.85 -0.12 1.67 0.00 -0.99 0.17 119.26 120.44 3hb9 h ALA 615 Ca 0.28 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hb9 h ALA 615 Cb 0.09 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3hb9 h ALA 615 CO -0.14 -1.03 0.01 1.88 0.00 0.00 0.00 179.25 179.97 3hb9 h TYR 616 N -0.78 0.01 0.00 0.00 0.99 -1.28 0.86 116.97 116.78 3hb9 h TYR 616 Ca -0.02 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3hb9 h TYR 616 Cb 0.72 0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.47 3hb9 h TYR 616 CO -0.27 -0.00 0.00 -1.71 -0.00 0.00 0.00 178.16 176.18 3hb9 n ASN 617 N -5.11 0.00 -0.02 3.88 4.05 0.40 -3.31 115.26 115.16 3hb9 n ASN 617 Ca -0.04 0.41 -0.17 0.00 0.45 0.00 0.00 54.58 55.23 3hb9 n ASN 617 Cb 0.07 -0.32 -0.09 0.00 1.23 0.00 0.00 39.78 40.67 3hb9 n ASN 617 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3hb9 h PHE 618 N 0.00 0.82 0.00 1.20 -1.00 -1.18 -3.26 116.94 113.53 3hb9 h PHE 618 Ca 0.00 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.40 3hb9 h PHE 618 Cb 0.00 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.44 3hb9 h PHE 618 CO 0.03 1.18 -0.50 1.28 -1.61 0.00 0.00 178.31 178.69 3hb9 n LEU 619 N -4.12 0.61 -3.99 1.54 4.77 -0.91 -4.96 117.00 109.94 3hb9 n LEU 619 Ca -0.08 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 3hb9 n LEU 619 Cb 0.67 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3hb9 n LEU 619 CO 0.49 -0.02 -0.12 0.29 -1.33 0.00 0.00 177.39 176.70 3hb9 n LYS 620 N -1.95 -3.73 -4.33 3.23 4.76 -0.36 -4.92 118.16 110.87 3hb9 n LYS 620 Ca 0.04 0.44 -0.19 0.00 -2.87 0.00 0.00 58.31 55.73 3hb9 n LYS 620 Cb 0.41 -4.86 -0.13 0.00 -1.84 0.00 0.00 35.03 28.60 3hb9 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3hb9 s GLU 621 N -6.60 0.86 -0.21 1.97 -1.05 0.15 -4.62 118.70 109.20 3hb9 s GLU 621 Ca 0.28 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 54.13 3hb9 s GLU 621 Cb -0.15 -0.84 -0.03 0.00 -0.44 0.00 0.00 34.13 32.68 3hb9 s GLU 621 CO 0.88 0.21 1.60 1.21 0.95 0.00 0.00 175.26 180.11 3hb9 s ASN 622 N -1.01 6.43 0.51 0.83 3.04 -1.26 -2.73 114.94 120.75 3hb9 s ASN 622 Ca 0.01 1.66 0.26 0.00 0.04 0.00 0.00 52.86 54.84 3hb9 s ASN 622 Cb -0.07 -2.53 1.35 0.00 -1.54 0.00 0.00 41.25 38.46 3hb9 s ASN 622 CO 0.01 -1.21 2.03 1.55 -3.04 0.00 0.00 177.10 176.44 3hb9 h PRO 623 N 10.51 0.00 -0.61 0.43 0.13 -1.89 -2.43 132.00 138.14 3hb9 h PRO 623 Ca -0.34 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 3hb9 h PRO 623 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3hb9 h PRO 623 CO 1.00 0.14 0.05 -1.49 -0.23 0.00 0.00 178.00 177.47 3hb9 h TRP 624 N 0.00 1.13 -0.19 1.56 4.06 -1.97 -1.75 115.95 118.78 3hb9 h TRP 624 Ca -0.00 -0.18 -0.10 0.00 2.06 0.00 0.00 58.89 60.68 3hb9 h TRP 624 Cb 0.40 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 3hb9 h TRP 624 CO 0.00 0.98 -0.30 0.93 -3.56 0.00 0.00 178.44 176.49 3hb9 h GLU 625 N 0.95 0.38 -0.03 0.49 5.08 -1.85 -0.70 114.58 118.90 3hb9 h GLU 625 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hb9 h GLU 625 Cb 0.49 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hb9 h GLU 625 CO 0.02 0.64 0.02 -0.09 -1.00 0.00 0.00 179.01 178.60 3hb9 h ARG 626 N 0.33 0.04 -0.18 2.33 2.43 -1.29 -1.25 114.38 116.80 3hb9 h ARG 626 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3hb9 h ARG 626 Cb 0.69 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3hb9 h ARG 626 CO 0.05 0.04 0.05 1.25 -1.51 0.00 0.00 179.97 179.85 3hb9 h LEU 627 N 0.03 0.05 -0.28 3.80 5.85 -0.88 -2.53 115.31 121.36 3hb9 h LEU 627 Ca 0.01 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3hb9 h LEU 627 Cb 0.01 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3hb9 h LEU 627 CO -0.00 0.05 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.51 3hb9 h GLU 628 N 0.13 0.70 -0.26 1.25 5.08 -1.09 -2.21 114.58 118.18 3hb9 h GLU 628 Ca 0.08 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 3hb9 h GLU 628 Cb 0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hb9 h GLU 628 CO -0.09 1.00 -0.31 0.00 -1.00 0.00 0.00 179.01 178.61 3hb9 h ARG 629 N 0.44 0.55 -0.46 2.33 3.08 -1.26 -2.63 114.38 116.43 3hb9 h ARG 629 Ca 0.04 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 3hb9 h ARG 629 Cb 0.89 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3hb9 h ARG 629 CO 0.08 0.80 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.59 3hb9 h LEU 630 N 0.47 0.83 0.09 3.04 3.38 -1.44 -2.90 115.31 118.79 3hb9 h LEU 630 Ca 0.06 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hb9 h LEU 630 Cb 0.78 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hb9 h LEU 630 CO 0.06 0.96 -0.18 0.03 0.09 0.00 0.00 178.44 179.40 3hb9 h ARG 631 N 0.75 -0.33 -0.38 1.13 2.47 -1.05 0.47 114.38 117.44 3hb9 h ARG 631 Ca 0.12 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3hb9 h ARG 631 Cb 0.62 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 3hb9 h ARG 631 CO 0.04 -0.22 0.20 -0.22 0.56 0.00 0.00 179.97 180.33 3hb9 h LYS 632 N -0.34 0.51 0.00 0.04 3.64 -1.50 -2.65 116.57 116.27 3hb9 h LYS 632 Ca 0.03 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 3hb9 h LYS 632 Cb 0.37 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hb9 h LYS 632 CO -0.11 0.39 -1.23 0.00 -2.27 0.00 0.00 179.45 176.22 3hb9 h ALA 633 N 1.70 0.62 -2.15 5.00 0.00 -1.28 -3.39 119.26 119.77 3hb9 h ALA 633 Ca 0.14 -0.96 -0.59 0.00 0.00 0.00 0.00 54.91 53.49 3hb9 h ALA 633 Cb 0.02 0.17 -0.41 0.00 0.00 0.00 0.00 17.79 17.57 3hb9 h ALA 633 CO -0.02 1.13 -0.73 -0.89 0.00 0.00 0.00 179.25 178.74 3hb9 n ILE 634 N -3.10 1.68 1.44 0.00 5.41 0.16 -4.47 119.36 120.48 3hb9 n ILE 634 Ca -0.07 -4.97 0.05 0.00 1.00 0.00 0.00 62.75 58.76 3hb9 n ILE 634 Cb 0.90 -1.97 0.18 0.00 -0.71 0.00 0.00 39.64 38.05 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 0.87 1.43 -0.04 0.38 -0.04 -1.03 -4.08 135.00 132.49 3hb9 n PRO 635 Ca 0.28 -0.66 -0.02 0.00 -0.04 0.00 0.00 63.50 63.06 3hb9 n PRO 635 Cb 0.44 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.00 1.98 -4.75 3.54 6.94 -1.26 -4.74 115.26 116.97 3hb9 n ASN 636 Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.32 3hb9 n ASN 636 Cb 0.17 1.07 -0.08 0.00 -2.36 0.00 0.00 39.78 38.59 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 -2.51 4.51 0.36 3.53 1.01 -1.26 -1.93 120.40 124.11 3hb9 s VAL 637 Ca -0.06 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3hb9 s VAL 637 Cb 0.05 -3.05 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 3hb9 s VAL 637 CO 0.52 0.34 1.52 -0.76 0.00 0.00 0.00 175.10 176.72 3hb9 s LEU 638 N -1.72 4.32 -0.19 3.92 1.43 -1.25 -4.62 118.68 120.57 3hb9 s LEU 638 Ca 0.22 3.04 -0.11 0.00 -1.03 0.00 0.00 54.13 56.25 3hb9 s LEU 638 Cb -0.12 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 3hb9 s LEU 638 CO 0.13 -0.90 0.17 -0.36 0.23 0.00 0.00 176.35 175.63 3hb9 s PHE 639 N -0.84 3.41 -0.00 0.29 0.40 -1.26 -0.43 117.98 119.55 3hb9 s PHE 639 Ca 0.55 0.39 0.08 0.00 -0.60 0.00 0.00 56.93 57.36 3hb9 s PHE 639 Cb -0.47 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 3hb9 s PHE 639 CO 0.60 0.26 -0.26 -1.14 0.70 0.00 0.00 175.22 175.37 3hb9 s GLN 640 N 0.45 2.00 0.20 0.44 0.74 0.49 -0.61 119.66 123.37 3hb9 s GLN 640 Ca 0.10 -0.98 0.05 0.00 0.05 0.00 0.00 55.36 54.59 3hb9 s GLN 640 Cb -0.12 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 3hb9 s GLN 640 CO -0.00 0.54 -0.08 0.00 -0.55 0.00 0.00 175.29 175.20 3hb9 s MET 641 N -0.80 1.26 -0.09 1.67 0.23 -0.70 -1.85 119.30 119.02 3hb9 s MET 641 Ca 0.10 -1.58 -0.16 0.00 -1.03 0.00 0.00 55.69 53.02 3hb9 s MET 641 Cb -0.10 -0.82 -0.05 0.00 -1.53 0.00 0.00 34.83 32.33 3hb9 s MET 641 CO -0.00 0.06 0.41 -1.17 -2.03 0.00 0.00 175.02 172.29 3hb9 s LEU 642 N -3.28 4.34 -0.21 0.18 2.96 -1.17 -1.39 118.68 120.11 3hb9 s LEU 642 Ca 0.23 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.91 3hb9 s LEU 642 Cb 0.03 -2.58 0.06 0.00 0.50 0.00 0.00 46.19 44.19 3hb9 s LEU 642 CO 0.06 0.13 0.01 -0.22 -1.32 0.00 0.00 176.35 175.01 3hb9 s LEU 643 N 0.01 1.69 0.20 -0.68 2.96 0.13 -3.52 118.68 119.47 3hb9 s LEU 643 Ca 0.23 -0.97 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 3hb9 s LEU 643 Cb -0.15 -0.80 -0.08 0.00 0.50 0.00 0.00 46.19 45.65 3hb9 s LEU 643 CO 0.10 -0.29 1.27 -0.60 -1.32 0.00 0.00 176.35 175.51 3hb9 s ARG 644 N 1.69 4.42 0.21 1.98 3.52 0.05 -2.23 118.95 128.58 3hb9 s ARG 644 Ca -0.02 2.00 -0.10 0.00 -0.13 0.00 0.00 55.73 57.47 3hb9 s ARG 644 Cb -0.18 -3.21 0.15 0.00 -1.56 0.00 0.00 34.95 30.16 3hb9 s ARG 644 CO -0.08 -0.20 1.84 0.00 -0.81 0.00 0.00 175.30 176.06 3hb9 h ALA 645 N 5.30 0.97 0.10 6.12 0.00 -0.96 0.04 119.26 130.82 3hb9 h ALA 645 Ca -0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3hb9 h ALA 645 Cb 1.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hb9 h ALA 645 CO 0.76 0.45 -0.05 1.03 0.00 0.00 0.00 179.25 181.45 3hb9 h SER 646 N 1.04 -0.12 0.19 0.00 0.87 -1.83 -3.40 113.55 110.31 3hb9 h SER 646 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3hb9 h SER 646 Cb -0.01 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3hb9 h SER 646 CO -0.05 0.20 -0.48 0.59 -0.53 0.00 0.00 176.83 176.56 3hb9 n ASN 647 N -3.93 1.16 0.00 6.23 4.13 -1.25 -4.57 115.26 117.03 3hb9 n ASN 647 Ca -0.02 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.31 3hb9 n ASN 647 Cb 0.05 0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 3hb9 n ASN 647 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hb9 n ALA 648 N -0.80 0.00 -0.60 5.41 0.00 0.00 -1.99 120.51 122.52 3hb9 n ALA 648 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hb9 n ALA 648 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.51 0.00 3.14 -1.26 -0.77 118.33 116.92 3hb9 n VAL 649 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 3hb9 n VAL 649 Cb 0.00 1.27 0.08 0.00 -1.06 0.00 0.00 33.84 34.13 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 0.71 0.00 7.55 0.00 -0.84 -4.76 105.19 107.86 3hb9 n GLY 650 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.39 0.00 -3.03 1.61 4.11 -1.26 -4.79 117.16 111.41 3hb9 n TYR 651 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 3hb9 n TYR 651 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 3hb9 n TYR 651 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3hb9 n LYS 652 N 0.00 0.00 -4.33 -3.48 5.02 -1.26 -4.77 118.16 109.33 3hb9 n LYS 652 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3hb9 n LYS 652 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 3hb9 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hb9 s ASN 653 N -4.00 2.31 0.06 4.39 -0.87 -1.26 -4.68 114.94 110.89 3hb9 s ASN 653 Ca 0.00 -0.63 0.05 0.00 -1.57 0.00 0.00 52.86 50.71 3hb9 s ASN 653 Cb 0.00 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.25 41.07 3hb9 s ASN 653 CO 0.00 0.05 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.14 3hb9 s TYR 654 N -1.09 1.15 0.82 2.20 1.51 -1.26 -5.01 117.35 115.66 3hb9 s TYR 654 Ca 0.05 -0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3hb9 s TYR 654 Cb -0.10 -0.66 0.09 0.00 -0.11 0.00 0.00 41.96 41.18 3hb9 s TYR 654 CO 0.03 0.04 1.17 -2.14 -1.11 0.00 0.00 175.55 173.54 3hb9 s PRO 655 N -1.58 1.65 0.27 -1.71 0.02 -1.26 -4.39 135.00 128.00 3hb9 s PRO 655 Ca -0.02 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.60 3hb9 s PRO 655 Cb -0.09 -1.79 0.58 0.00 0.02 0.00 0.00 34.50 33.21 3hb9 s PRO 655 CO 0.02 -2.17 1.78 -0.44 -0.33 0.00 0.00 177.00 175.85 3hb9 h ASP 656 N -1.11 0.65 0.34 2.53 3.32 -1.86 -1.40 116.42 118.89 3hb9 h ASP 656 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3hb9 h ASP 656 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3hb9 h ASP 656 CO 0.46 0.27 0.00 -0.46 -1.72 0.00 0.00 179.24 177.80 3hb9 n ASN 657 N -4.81 0.63 0.06 6.45 6.94 -1.26 -2.13 115.26 121.14 3hb9 n ASN 657 Ca 0.19 0.72 -0.20 0.00 -0.02 0.00 0.00 54.58 55.27 3hb9 n ASN 657 Cb 0.45 -0.83 -0.14 0.00 -2.36 0.00 0.00 39.78 36.90 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 1.45 -0.72 3.53 2.07 -1.61 -2.37 116.25 118.60 3hb9 h VAL 658 Ca 0.00 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 3hb9 h VAL 658 Cb 0.17 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 3hb9 h VAL 658 CO 0.00 0.71 0.32 0.40 0.02 0.00 0.00 177.57 179.02 3hb9 h ILE 659 N -0.19 1.24 0.82 4.57 5.03 -1.50 -1.43 117.51 126.05 3hb9 h ILE 659 Ca -0.15 -0.72 -0.04 0.00 -0.12 0.00 0.00 64.86 63.83 3hb9 h ILE 659 Cb 1.67 0.38 0.01 0.00 -3.03 0.00 0.00 36.82 35.85 3hb9 h ILE 659 CO 0.17 0.30 -0.39 0.45 -0.68 0.00 0.00 178.15 177.99 3hb9 h HIS 660 N 1.02 -1.02 -0.89 1.37 3.86 -1.56 -0.60 115.15 117.33 3hb9 h HIS 660 Ca 0.24 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.63 3hb9 h HIS 660 Cb 0.16 0.34 -0.12 0.00 1.06 0.00 0.00 27.41 28.85 3hb9 h HIS 660 CO 0.01 -0.63 0.40 -0.22 0.86 0.00 0.00 177.93 178.35 3hb9 h LYS 661 N -1.10 0.44 -0.20 2.45 1.63 -1.38 0.16 116.57 118.57 3hb9 h LYS 661 Ca -0.11 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 3hb9 h LYS 661 Cb 0.84 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.37 3hb9 h LYS 661 CO 0.18 0.29 -0.15 0.35 -3.45 0.00 0.00 179.45 176.67 3hb9 h PHE 662 N 0.45 0.53 -0.60 1.91 3.57 -1.12 -2.36 116.94 119.31 3hb9 h PHE 662 Ca 0.54 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 3hb9 h PHE 662 Cb 0.97 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3hb9 h PHE 662 CO -0.13 0.78 0.02 0.28 -2.23 0.00 0.00 178.31 177.04 3hb9 h VAL 663 N 0.13 1.26 -0.72 1.41 2.07 -0.56 -1.47 116.25 118.37 3hb9 h VAL 663 Ca 0.04 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3hb9 h VAL 663 Cb 0.67 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3hb9 h VAL 663 CO 0.04 0.41 0.44 1.56 0.02 0.00 0.00 177.57 180.04 3hb9 h GLN 664 N 0.95 0.82 0.09 1.57 4.20 -0.69 -0.77 115.11 121.29 3hb9 h GLN 664 Ca 0.17 -0.05 -0.27 0.00 0.06 0.00 0.00 58.65 58.56 3hb9 h GLN 664 Cb 0.53 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.14 3hb9 h GLN 664 CO 0.03 0.55 -1.17 0.93 -0.67 0.00 0.00 178.83 178.50 3hb9 h GLU 665 N 0.85 0.45 -0.26 1.46 4.39 -1.34 -2.62 114.58 117.52 3hb9 h GLU 665 Ca 0.30 -0.61 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 3hb9 h GLU 665 Cb 0.07 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3hb9 h GLU 665 CO -0.13 1.25 0.05 0.77 -1.16 0.00 0.00 179.01 179.79 3hb9 h SER 666 N 0.19 0.40 -0.55 1.42 0.02 -1.14 0.49 113.55 114.38 3hb9 h SER 666 Ca -0.14 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 3hb9 h SER 666 Cb 1.84 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.25 3hb9 h SER 666 CO 0.21 0.54 0.18 0.00 -1.14 0.00 0.00 176.83 176.61 3hb9 h ALA 667 N 0.87 1.20 -0.53 3.77 0.00 -1.23 -1.63 119.26 121.71 3hb9 h ALA 667 Ca 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hb9 h ALA 667 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hb9 h ALA 667 CO 0.00 0.56 0.13 -0.22 0.00 0.00 0.00 179.25 179.73 3hb9 h LYS 668 N 0.87 0.85 0.00 0.00 3.64 -1.31 -3.25 116.57 117.37 3hb9 h LYS 668 Ca 0.19 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3hb9 h LYS 668 Cb 0.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3hb9 h LYS 668 CO -0.01 0.80 -0.46 0.00 -2.27 0.00 0.00 179.45 177.51 3hb9 h ALA 669 N 1.01 0.88 0.00 5.00 0.00 -0.38 -3.47 119.26 122.30 3hb9 h ALA 669 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hb9 h ALA 669 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hb9 h ALA 669 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3hb9 n GLY 670 N 0.53 0.05 3.76 0.00 0.00 -0.69 -4.54 105.19 104.31 3hb9 n GLY 670 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.48 0.00 -0.61 -1.09 -0.74 -4.47 121.20 116.77 3hb9 s ILE 671 Ca 0.00 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3hb9 s ILE 671 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 3hb9 s ILE 671 CO 0.00 0.01 0.00 0.47 -1.23 0.00 0.00 174.94 174.19 3hb9 n ASP 672 N -0.56 2.69 -4.26 3.58 9.92 0.22 -4.43 116.55 123.71 3hb9 n ASP 672 Ca 0.08 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.00 3hb9 n ASP 672 Cb 0.45 0.15 -0.15 0.00 -0.64 0.00 0.00 41.12 40.94 3hb9 n ASP 672 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hb9 s VAL 673 N -1.60 2.87 -0.36 2.53 1.01 -0.46 0.10 120.40 124.50 3hb9 s VAL 673 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3hb9 s VAL 673 Cb 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.19 3hb9 s VAL 673 CO 0.00 0.48 0.13 -0.36 0.00 0.00 0.00 175.10 175.36 3hb9 s PHE 674 N 1.18 3.36 -0.52 5.22 0.08 0.44 -1.72 117.98 126.01 3hb9 s PHE 674 Ca 0.02 -1.83 -0.28 0.00 0.12 0.00 0.00 56.93 54.95 3hb9 s PHE 674 Cb -0.14 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 3hb9 s PHE 674 CO -0.04 -0.84 1.30 0.50 -0.10 0.00 0.00 175.22 176.04 3hb9 s ARG 675 N 1.30 3.49 -0.25 0.44 3.52 -0.49 -1.01 118.95 125.95 3hb9 s ARG 675 Ca 0.01 0.51 -0.10 0.00 -0.13 0.00 0.00 55.73 56.02 3hb9 s ARG 675 Cb -0.21 -4.04 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 3hb9 s ARG 675 CO -0.00 -1.70 0.15 0.42 -0.81 0.00 0.00 175.30 173.36 3hb9 s ILE 676 N 5.34 5.07 0.07 4.11 1.01 0.03 0.19 121.20 137.02 3hb9 s ILE 676 Ca 0.51 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.27 3hb9 s ILE 676 Cb -0.10 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3hb9 s ILE 676 CO 0.28 0.31 -0.10 0.72 0.00 0.00 0.00 174.94 176.15 3hb9 s PHE 677 N 1.40 0.94 -0.03 3.97 -0.71 -0.95 -0.97 117.98 121.64 3hb9 s PHE 677 Ca 0.07 -0.57 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3hb9 s PHE 677 Cb -0.15 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.10 3hb9 s PHE 677 CO 0.07 -0.03 -0.07 0.34 -1.34 0.00 0.00 175.22 174.19 3hb9 s ASP 678 N -2.01 4.60 0.42 1.98 -1.08 -1.26 -0.31 116.67 119.00 3hb9 s ASP 678 Ca -0.01 -0.09 0.30 0.00 -0.52 0.00 0.00 52.55 52.22 3hb9 s ASP 678 Cb -0.06 -1.10 1.31 0.00 -1.46 0.00 0.00 42.92 41.60 3hb9 s ASP 678 CO 0.00 0.32 1.88 0.28 0.52 0.00 0.00 175.17 178.18 3hb9 h SER 679 N 4.89 0.00 0.00 -0.34 0.02 -1.90 -2.74 113.55 113.48 3hb9 h SER 679 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3hb9 h SER 679 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3hb9 h SER 679 CO 0.53 0.00 -0.03 0.18 -1.14 0.00 0.00 176.83 176.37 3hb9 n LEU 680 N -2.66 1.52 -2.90 5.07 4.77 -1.26 -4.17 117.00 117.37 3hb9 n LEU 680 Ca 0.01 -1.68 -0.20 0.00 -0.03 0.00 0.00 56.01 54.11 3hb9 n LEU 680 Cb 0.22 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3hb9 n LEU 680 CO 0.22 0.41 0.08 0.59 -1.33 0.00 0.00 177.39 177.36 3hb9 n ASN 681 N -0.50 -5.73 -4.53 -1.43 3.02 -1.03 -4.02 115.26 101.03 3hb9 n ASN 681 Ca 0.02 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 3hb9 n ASN 681 Cb 0.38 -4.48 -0.09 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.18 3.18 0.25 3.10 -0.00 -1.26 -4.93 118.94 116.11 3hb9 s TRP 682 Ca 0.37 -0.05 -0.05 0.00 -0.00 0.00 0.00 56.10 56.36 3hb9 s TRP 682 Cb -0.16 -2.83 0.29 0.00 -0.00 0.00 0.00 33.47 30.76 3hb9 s TRP 682 CO 0.45 -0.55 1.84 0.28 -0.00 0.00 0.00 176.95 178.97 3hb9 h VAL 683 N 5.62 1.24 -0.84 5.86 2.07 -1.96 -3.04 116.25 125.21 3hb9 h VAL 683 Ca -0.28 -0.72 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3hb9 h VAL 683 Cb 1.13 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3hb9 h VAL 683 CO 0.75 0.30 0.54 0.44 0.02 0.00 0.00 177.57 179.62 3hb9 h ASP 684 N 1.07 0.70 0.44 0.57 5.19 -2.02 -0.57 116.42 121.80 3hb9 h ASP 684 Ca 0.25 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.64 3hb9 h ASP 684 Cb 0.16 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3hb9 h ASP 684 CO -0.03 0.41 -0.24 1.56 -3.12 0.00 0.00 179.24 177.82 3hb9 h GLN 685 N 0.77 0.00 0.00 3.56 4.20 -1.93 -3.03 115.11 118.68 3hb9 h GLN 685 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3hb9 h GLN 685 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hb9 h GLN 685 CO -0.16 0.24 -0.08 0.52 -0.67 0.00 0.00 178.83 178.68 3hb9 h MET 686 N 0.00 0.00 -0.82 1.46 2.86 -1.20 -3.36 114.93 113.87 3hb9 h MET 686 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3hb9 h MET 686 Cb 0.52 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 3hb9 h MET 686 CO 0.03 0.00 0.48 0.87 1.06 0.00 0.00 176.91 179.35 3hb9 h LYS 687 N 0.00 1.11 0.43 1.72 1.57 -1.44 -2.48 116.57 117.49 3hb9 h LYS 687 Ca 0.00 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3hb9 h LYS 687 Cb 0.84 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3hb9 h LYS 687 CO 0.00 0.79 -0.21 0.28 -0.57 0.00 0.00 179.45 179.74 3hb9 h VAL 688 N 1.13 0.56 -0.44 0.50 2.07 -1.79 -2.86 116.25 115.42 3hb9 h VAL 688 Ca 0.29 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3hb9 h VAL 688 Cb -0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3hb9 h VAL 688 CO -0.05 0.05 0.26 0.00 0.02 0.00 0.00 177.57 177.84 3hb9 h ALA 689 N -0.23 0.56 -0.28 1.67 0.00 -1.79 -2.55 119.26 116.65 3hb9 h ALA 689 Ca -0.06 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hb9 h ALA 689 Cb 0.52 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3hb9 h ALA 689 CO 0.10 -0.07 -0.30 -0.97 0.00 0.00 0.00 179.25 178.01 3hb9 h ASN 690 N 0.52 -0.98 -0.85 0.00 -1.24 -1.46 -0.93 115.58 110.63 3hb9 h ASN 690 Ca 0.18 0.17 0.05 0.00 0.71 0.00 0.00 56.30 57.40 3hb9 h ASN 690 Cb 0.02 0.45 -0.05 0.00 0.73 0.00 0.00 38.32 39.47 3hb9 h ASN 690 CO -0.09 -0.32 0.56 -0.33 -1.29 0.00 0.00 177.43 175.96 3hb9 h GLU 691 N -0.29 0.99 -0.66 6.67 5.08 -1.26 0.24 114.58 125.34 3hb9 h GLU 691 Ca 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3hb9 h GLU 691 Cb 0.52 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3hb9 h GLU 691 CO -0.45 0.65 0.15 0.00 -1.00 0.00 0.00 179.01 178.36 3hb9 h ALA 692 N 1.52 0.87 -0.32 3.43 0.00 -0.93 -1.41 119.26 122.41 3hb9 h ALA 692 Ca 0.35 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3hb9 h ALA 692 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hb9 h ALA 692 CO -0.11 0.60 -0.25 0.28 0.00 0.00 0.00 179.25 179.77 3hb9 h VAL 693 N 0.99 1.29 -0.99 0.00 2.07 -0.30 -2.89 116.25 116.41 3hb9 h VAL 693 Ca 0.21 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 66.41 3hb9 h VAL 693 Cb 0.38 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3hb9 h VAL 693 CO 0.00 0.45 0.64 1.56 0.02 0.00 0.00 177.57 180.25 3hb9 h GLN 694 N 0.50 1.07 0.00 1.57 1.08 -0.41 -2.18 115.11 116.73 3hb9 h GLN 694 Ca 0.06 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hb9 h GLN 694 Cb 0.81 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3hb9 h GLN 694 CO 0.07 0.71 0.00 0.39 -0.95 0.00 0.00 178.83 179.05 3hb9 n GLU 695 N -4.53 0.20 -0.00 1.46 1.02 -0.55 -2.76 120.64 115.49 3hb9 n GLU 695 Ca 0.16 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 3hb9 n GLU 695 Cb 0.24 -1.76 0.21 0.00 -0.02 0.00 0.00 31.44 30.11 3hb9 n GLU 695 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hb9 n ALA 696 N -1.73 2.49 -2.52 0.62 0.00 -0.84 -4.97 120.51 113.57 3hb9 n ALA 696 Ca 0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 3hb9 n ALA 696 Cb 0.38 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 1.31 -0.25 3.72 0.00 0.00 -1.11 -5.01 105.19 103.84 3hb9 n GLY 697 Ca 0.15 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3hb9 n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb9 s LYS 698 N -5.04 2.24 -0.01 1.61 -0.14 -1.13 -4.52 119.74 112.75 3hb9 s LYS 698 Ca 0.09 -1.76 -0.30 0.00 -1.36 0.00 0.00 55.97 52.64 3hb9 s LYS 698 Cb -0.04 -2.02 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 3hb9 s LYS 698 CO 0.12 -0.02 1.10 0.42 -0.76 0.00 0.00 175.35 176.20 3hb9 s ILE 699 N -2.55 4.48 -0.24 2.17 1.01 0.12 -4.59 121.20 121.59 3hb9 s ILE 699 Ca 0.39 1.78 -0.03 0.00 0.00 0.00 0.00 60.65 62.78 3hb9 s ILE 699 Cb 0.02 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3hb9 s ILE 699 CO 0.22 0.08 -0.03 -0.55 0.00 0.00 0.00 174.94 174.66 3hb9 s SER 700 N 1.15 4.41 -0.23 3.58 0.15 -1.26 -0.42 113.70 121.08 3hb9 s SER 700 Ca 0.54 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 56.47 3hb9 s SER 700 Cb -0.24 -1.73 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 3hb9 s SER 700 CO 0.25 -0.09 0.15 -1.61 1.20 0.00 0.00 173.24 173.14 3hb9 s GLU 701 N 1.42 4.05 -0.31 5.44 2.02 -0.18 -0.67 118.70 130.47 3hb9 s GLU 701 Ca 0.03 -0.28 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 3hb9 s GLU 701 Cb -0.16 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 3hb9 s GLU 701 CO -0.03 0.08 0.62 0.20 0.02 0.00 0.00 175.26 176.15 3hb9 s GLY 702 N 1.00 1.78 -0.14 -1.39 0.00 -0.09 -0.79 107.32 107.69 3hb9 s GLY 702 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 3hb9 s GLY 702 CO 0.04 1.45 0.19 -1.59 0.00 0.00 0.00 173.10 173.19 3hb9 s THR 703 N 2.60 5.39 -0.18 0.90 2.01 -0.14 -1.06 115.64 125.17 3hb9 s THR 703 Ca 0.25 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 3hb9 s THR 703 Cb -0.15 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3hb9 s THR 703 CO 0.12 0.51 0.04 -0.63 -0.69 0.00 0.00 174.62 173.97 3hb9 s ILE 704 N -0.26 4.59 -0.21 1.82 1.01 0.86 -4.61 121.20 124.40 3hb9 s ILE 704 Ca 0.14 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 3hb9 s ILE 704 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3hb9 s ILE 704 CO 0.03 0.47 0.45 0.00 0.00 0.00 0.00 174.94 175.88 3hb9 s TYR 706 N 1.58 3.83 0.07 0.00 5.04 -0.78 -4.97 117.35 122.12 3hb9 s TYR 706 Ca 0.21 1.61 -0.12 0.00 -2.44 0.00 0.00 57.07 56.32 3hb9 s TYR 706 Cb -0.15 -2.85 0.02 0.00 0.35 0.00 0.00 41.96 39.32 3hb9 s TYR 706 CO 0.09 0.36 0.28 0.99 -1.34 0.00 0.00 175.55 175.93 3hb9 s THR 707 N -0.50 0.10 0.00 4.34 2.01 -1.26 -4.65 115.64 115.68 3hb9 s THR 707 Ca 0.39 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.57 3hb9 s THR 707 Cb -0.22 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.20 3hb9 s THR 707 CO 0.26 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 3hb9 n GLY 708 N 0.26 0.10 2.95 4.40 0.00 -1.26 -4.81 105.19 106.83 3hb9 n GLY 708 Ca -0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 0.24 0.25 1.61 3.68 -1.26 -4.86 116.67 112.33 3hb9 s ASP 709 Ca 0.00 0.30 0.22 0.00 2.13 0.00 0.00 52.55 55.20 3hb9 s ASP 709 Cb 0.00 1.10 0.98 0.00 -1.45 0.00 0.00 42.92 43.55 3hb9 s ASP 709 CO 0.00 -0.29 1.66 2.30 0.13 0.00 0.00 175.17 178.97 3hb9 n ILE 710 N 5.36 0.93 0.12 4.11 -5.35 -1.26 -1.83 119.36 121.44 3hb9 n ILE 710 Ca -0.04 0.37 -0.01 0.00 -0.27 0.00 0.00 62.75 62.80 3hb9 n ILE 710 Cb 0.50 -1.31 0.01 0.00 -1.74 0.00 0.00 39.64 37.10 3hb9 n ILE 710 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hb9 h LEU 711 N 0.00 0.00 -8.21 7.28 3.38 -1.96 -3.43 115.31 112.38 3hb9 h LEU 711 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3hb9 h LEU 711 Cb 0.25 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.73 3hb9 h LEU 711 CO 0.00 0.66 -0.49 0.21 0.09 0.00 0.00 178.44 178.91 3hb9 s ASN 712 N -6.56 5.65 0.50 -0.43 2.47 -0.76 -4.95 114.94 110.87 3hb9 s ASN 712 Ca 0.02 -1.31 0.26 0.00 0.42 0.00 0.00 52.86 52.25 3hb9 s ASN 712 Cb 0.09 -1.99 1.34 0.00 -1.45 0.00 0.00 41.25 39.23 3hb9 s ASN 712 CO 0.77 -0.48 2.03 1.55 -3.72 0.00 0.00 177.10 177.25 3hb9 h PRO 713 N 8.41 0.00 0.00 0.43 0.13 -1.83 -2.79 132.00 136.34 3hb9 h PRO 713 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hb9 h PRO 713 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hb9 h PRO 713 CO 0.72 0.15 -0.17 0.93 -0.23 0.00 0.00 178.00 179.39 3hb9 h GLU 714 N 0.00 0.00 0.05 0.86 5.08 -1.92 -3.33 114.58 115.32 3hb9 h GLU 714 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hb9 h GLU 714 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hb9 h GLU 714 CO 0.02 0.00 -0.03 -0.09 -1.00 0.00 0.00 179.01 177.91 3hb9 h ARG 715 N 0.00 -0.07 -1.99 2.33 9.65 -1.81 -3.46 114.38 119.03 3hb9 h ARG 715 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3hb9 h ARG 715 Cb 0.76 0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.14 3hb9 h ARG 715 CO 0.00 0.29 0.11 0.45 2.80 0.00 0.00 179.97 183.62 3hb9 s SER 716 N -5.48 -0.80 -0.21 -3.80 0.15 -1.25 -5.00 113.70 97.30 3hb9 s SER 716 Ca -0.15 1.46 0.15 0.00 0.70 0.00 0.00 55.95 58.11 3hb9 s SER 716 Cb 0.03 1.44 0.76 0.00 -1.71 0.00 0.00 66.02 66.53 3hb9 s SER 716 CO 0.65 -0.25 1.68 -0.46 1.20 0.00 0.00 173.24 176.06 3hb9 n ASN 717 N 3.11 5.28 -0.07 5.45 2.04 -1.26 -4.52 115.26 125.29 3hb9 n ASN 717 Ca -0.16 -2.89 -0.15 0.00 -0.44 0.00 0.00 54.58 50.94 3hb9 n ASN 717 Cb 0.56 -0.65 -0.05 0.00 -2.53 0.00 0.00 39.78 37.11 3hb9 n ASN 717 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3hb9 n ILE 717 N 0.47 1.06 -2.44 1.53 -0.00 -1.26 -4.70 119.36 114.01 3hb9 n ILE 717 Ca 0.26 -0.12 -0.41 0.00 -0.00 0.00 0.00 62.75 62.48 3hb9 n ILE 717 Cb 1.11 -1.81 0.01 0.00 -0.00 0.00 0.00 39.64 38.94 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 -3.85 2.65 -2.21 1.39 4.02 -1.26 -4.71 117.16 113.19 3hb9 n TYR 718 Ca -0.28 -2.67 -0.27 0.00 -0.01 0.00 0.00 57.90 54.67 3hb9 n TYR 718 Cb 0.63 -1.48 0.16 0.00 -0.02 0.00 0.00 39.34 38.64 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 -2.67 2.02 0.32 -0.72 2.01 -1.26 -4.60 115.64 110.75 3hb9 s THR 719 Ca 0.43 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.19 3hb9 s THR 719 Cb 0.16 -2.77 0.21 0.00 0.01 0.00 0.00 72.50 70.11 3hb9 s THR 719 CO -0.08 0.00 1.92 0.25 -0.69 0.00 0.00 174.62 176.02 3hb9 h LEU 720 N -1.25 0.72 -0.52 4.42 5.85 -1.94 -2.81 115.31 119.77 3hb9 h LEU 720 Ca -0.40 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hb9 h LEU 720 Cb 1.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3hb9 h LEU 720 CO 0.36 0.63 0.32 -0.33 -0.34 0.00 0.00 178.44 179.08 3hb9 h GLU 721 N 0.79 0.70 -0.57 1.25 3.07 -1.96 -2.39 114.58 115.47 3hb9 h GLU 721 Ca 0.19 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3hb9 h GLU 721 Cb 0.12 -0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 27.81 3hb9 h GLU 721 CO -0.02 0.50 0.19 -0.92 -1.40 0.00 0.00 179.01 177.36 3hb9 h TYR 722 N 0.70 0.34 -0.31 4.33 3.20 -1.78 -1.71 116.97 121.74 3hb9 h TYR 722 Ca 0.19 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3hb9 h TYR 722 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3hb9 h TYR 722 CO -0.03 0.08 -0.31 1.88 -1.64 0.00 0.00 178.16 178.14 3hb9 h TYR 723 N 0.37 0.77 -0.17 -3.82 -1.99 -1.43 -1.56 116.97 109.13 3hb9 h TYR 723 Ca 0.29 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 3hb9 h TYR 723 Cb 0.35 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 3hb9 h TYR 723 CO -0.18 0.89 0.04 0.28 -0.00 0.00 0.00 178.16 179.20 3hb9 h VAL 724 N 0.56 1.20 -0.52 -2.88 2.07 -0.93 0.75 116.25 116.51 3hb9 h VAL 724 Ca 0.07 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3hb9 h VAL 724 Cb 0.81 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3hb9 h VAL 724 CO 0.07 0.19 0.01 0.50 0.02 0.00 0.00 177.57 178.36 3hb9 h LYS 725 N 0.08 0.86 -0.38 1.57 3.11 -1.30 -1.40 116.57 119.11 3hb9 h LYS 725 Ca 0.05 -0.24 -0.04 0.00 -2.81 0.00 0.00 60.65 57.62 3hb9 h LYS 725 Cb 0.25 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 3hb9 h LYS 725 CO 0.00 0.86 0.10 1.25 -2.81 0.00 0.00 179.45 178.84 3hb9 h LEU 726 N 0.80 0.58 -0.23 5.20 5.85 -1.16 -1.71 115.31 124.65 3hb9 h LEU 726 Ca 0.15 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hb9 h LEU 726 Cb 0.47 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3hb9 h LEU 726 CO 0.02 0.66 0.09 0.00 -0.34 0.00 0.00 178.44 178.86 3hb9 h ALA 727 N 0.94 0.26 -0.78 1.25 0.00 -0.62 -2.22 119.26 118.09 3hb9 h ALA 727 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hb9 h ALA 727 Cb 0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3hb9 h ALA 727 CO 0.00 -0.33 0.48 0.87 0.00 0.00 0.00 179.25 180.27 3hb9 h LYS 728 N 0.20 1.05 -0.61 0.00 1.57 -1.19 -1.97 116.57 115.61 3hb9 h LYS 728 Ca 0.10 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3hb9 h LYS 728 Cb 0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 3hb9 h LYS 728 CO -0.09 0.74 0.37 1.49 -0.57 0.00 0.00 179.45 181.38 3hb9 h GLU 729 N 1.07 0.70 0.00 3.15 4.81 -1.14 -1.78 114.58 121.38 3hb9 h GLU 729 Ca 0.28 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3hb9 h GLU 729 Cb -0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3hb9 h GLU 729 CO -0.05 0.46 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.33 3hb9 h LEU 730 N 0.72 0.00 -0.30 1.64 3.38 -0.88 -2.42 115.31 117.45 3hb9 h LEU 730 Ca 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 3hb9 h LEU 730 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hb9 h LEU 730 CO -0.12 0.29 -0.57 -0.08 0.09 0.00 0.00 178.44 178.05 3hb9 h GLU 731 N 0.00 0.85 0.00 1.13 4.81 -0.75 -3.09 114.58 117.53 3hb9 h GLU 731 Ca -0.00 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 3hb9 h GLU 731 Cb 0.61 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 3hb9 h GLU 731 CO 0.04 1.18 -0.12 0.00 -0.73 0.00 0.00 179.01 179.38 3hb9 h ARG 732 N 0.64 0.00 0.00 1.92 3.08 -0.88 -2.07 114.38 117.07 3hb9 h ARG 732 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hb9 h ARG 732 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hb9 h ARG 732 CO 0.12 0.12 0.00 0.93 -1.07 0.00 0.00 179.97 180.08 3hb9 h GLU 733 N 0.00 0.00 0.00 0.04 4.39 -1.37 -3.47 114.58 114.17 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 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3hb9 h GLU 733 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 3hb9 n GLY 734 N 0.35 0.76 3.77 -3.84 0.00 -0.78 -5.03 105.19 100.42 3hb9 n GLY 734 Ca 0.02 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 2.93 0.07 1.61 0.40 -1.19 -4.96 117.98 114.84 3hb9 s PHE 735 Ca 0.00 1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 57.59 3hb9 s PHE 735 Cb 0.00 -3.73 -0.24 0.00 0.51 0.00 0.00 43.02 39.55 3hb9 s PHE 735 CO 0.00 -2.08 1.16 0.45 0.70 0.00 0.00 175.22 175.45 3hb9 h HIS 736 N 3.20 0.90 -3.76 0.36 3.86 -1.25 -3.46 115.15 115.00 3hb9 h HIS 736 Ca -0.49 -0.55 -0.34 0.00 -1.16 0.00 0.00 60.37 57.83 3hb9 h HIS 736 Cb 1.23 -0.08 -0.30 0.00 1.06 0.00 0.00 27.41 29.32 3hb9 h HIS 736 CO 0.55 1.39 -0.75 0.42 0.86 0.00 0.00 177.93 180.39 3hb9 s ILE 737 N -3.07 0.37 0.10 2.45 1.01 -1.10 -4.42 121.20 116.53 3hb9 s ILE 737 Ca -0.08 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 3hb9 s ILE 737 Cb 0.07 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 42.12 3hb9 s ILE 737 CO 0.92 0.13 0.79 -0.22 0.00 0.00 0.00 174.94 176.55 3hb9 s LEU 738 N 0.24 4.51 -0.04 2.97 2.96 -0.38 -0.91 118.68 128.03 3hb9 s LEU 738 Ca -0.02 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.49 3hb9 s LEU 738 Cb -0.06 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 3hb9 s LEU 738 CO -0.00 0.09 -0.20 0.00 -1.32 0.00 0.00 176.35 174.92 3hb9 s ALA 739 N -0.48 1.71 -0.39 5.97 0.00 -0.22 0.25 121.76 128.59 3hb9 s ALA 739 Ca 0.38 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3hb9 s ALA 739 Cb -0.22 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.43 3hb9 s ALA 739 CO 0.25 0.33 0.20 0.42 0.00 0.00 0.00 175.76 176.96 3hb9 s ILE 740 N -0.09 4.05 -0.61 0.00 1.09 -0.28 -0.10 121.20 125.26 3hb9 s ILE 740 Ca -0.02 -1.32 -0.22 0.00 -1.10 0.00 0.00 60.65 57.99 3hb9 s ILE 740 Cb -0.11 -3.42 0.07 0.00 -1.06 0.00 0.00 42.46 37.93 3hb9 s ILE 740 CO 0.02 -0.40 0.86 -0.75 -0.10 0.00 0.00 174.94 174.58 3hb9 s LYS 741 N 1.41 3.14 -1.21 2.79 2.20 0.39 -1.32 119.74 127.13 3hb9 s LYS 741 Ca 0.02 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.72 3hb9 s LYS 741 Cb -0.22 -4.19 0.21 0.00 -1.51 0.00 0.00 37.83 32.13 3hb9 s LYS 741 CO 0.02 -1.62 1.80 -3.47 -0.36 0.00 0.00 175.35 171.72 3hb9 n ASP 742 N 7.18 5.83 0.28 1.43 2.03 0.19 -1.86 116.55 131.63 3hb9 n ASP 742 Ca -0.04 -3.23 0.19 0.00 0.52 0.00 0.00 54.79 52.23 3hb9 n ASP 742 Cb 0.45 -1.39 1.01 0.00 -0.72 0.00 0.00 41.12 40.47 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 5.49 0.00 -0.01 -0.67 -0.00 -1.82 -1.85 114.93 116.06 3hb9 h MET 743 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.07 3hb9 h MET 743 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 3hb9 h MET 743 CO 1.51 0.00 -0.16 0.00 -0.00 0.00 0.00 176.91 178.26 3hb9 n ALA 744 N -1.99 2.75 -2.75 -3.00 0.00 -1.26 -1.37 120.51 112.89 3hb9 n ALA 744 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 3hb9 n ALA 744 Cb 0.07 -0.34 0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 0.82 0.20 0.06 0.00 0.00 -0.70 -4.81 105.19 100.75 3hb9 n GLY 745 Ca 0.04 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.16 0.62 -4.57 0.99 4.77 -1.26 -4.64 117.00 110.76 3hb9 n LEU 746 Ca -0.03 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3hb9 n LEU 746 Cb 0.54 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3hb9 n LEU 746 CO 0.24 0.14 1.71 -0.22 -1.33 0.00 0.00 177.39 177.93 3hb9 s LEU 747 N -2.88 3.72 0.54 2.23 2.96 -1.26 -4.90 118.68 119.09 3hb9 s LEU 747 Ca 0.14 -1.96 -0.20 0.00 -0.22 0.00 0.00 54.13 51.89 3hb9 s LEU 747 Cb 0.18 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.23 3hb9 s LEU 747 CO 0.66 -1.33 0.88 0.29 -1.32 0.00 0.00 176.35 175.54 3hb9 n LYS 748 N 8.56 0.95 -0.24 1.98 5.02 -1.26 -4.64 118.16 128.52 3hb9 n LYS 748 Ca 0.41 0.36 0.01 0.00 -2.02 0.00 0.00 58.31 57.06 3hb9 n LYS 748 Cb 0.48 -2.03 0.08 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.74 -0.00 -0.33 1.97 0.11 -1.87 -0.67 132.00 131.95 3hb9 h PRO 749 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3hb9 h PRO 749 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3hb9 h PRO 749 CO 0.52 -0.00 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.79 3hb9 h LYS 750 N -0.00 0.69 -0.13 1.05 3.11 -1.93 -2.47 116.57 116.89 3hb9 h LYS 750 Ca 0.34 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3hb9 h LYS 750 Cb 0.52 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 3hb9 h LYS 750 CO -0.73 0.91 0.02 0.00 -2.81 0.00 0.00 179.45 176.84 3hb9 h ALA 751 N 1.08 1.81 -0.34 5.00 0.00 -1.55 -1.87 119.26 123.39 3hb9 h ALA 751 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hb9 h ALA 751 Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hb9 h ALA 751 CO 0.07 0.16 0.06 0.00 0.00 0.00 0.00 179.25 179.53 3hb9 h ALA 752 N 1.85 0.45 0.12 0.00 0.00 -0.71 -0.97 119.26 120.00 3hb9 h ALA 752 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hb9 h ALA 752 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hb9 h ALA 752 CO -0.00 0.14 -0.06 -0.92 0.00 0.00 0.00 179.25 178.41 3hb9 h TYR 753 N 0.39 -0.15 -0.30 0.00 3.20 -1.22 -1.32 116.97 117.57 3hb9 h TYR 753 Ca 0.10 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3hb9 h TYR 753 Cb 0.34 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3hb9 h TYR 753 CO 0.02 -0.04 -0.22 0.93 -1.64 0.00 0.00 178.16 177.21 3hb9 h GLU 754 N -0.21 0.57 0.12 1.82 5.08 -1.39 -1.48 114.58 119.09 3hb9 h GLU 754 Ca -0.02 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hb9 h GLU 754 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hb9 h GLU 754 CO 0.03 0.75 -0.06 1.25 -1.00 0.00 0.00 179.01 179.98 3hb9 h LEU 755 N 0.50 -0.14 -0.79 1.33 5.85 -1.11 -2.96 115.31 117.99 3hb9 h LEU 755 Ca 0.08 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 3hb9 h LEU 755 Cb 0.66 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hb9 h LEU 755 CO 0.05 0.41 -0.42 0.40 -0.34 0.00 0.00 178.44 178.54 3hb9 h ILE 756 N -0.77 1.31 -0.58 4.05 2.04 -1.30 -2.19 117.51 120.08 3hb9 h ILE 756 Ca -0.02 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 3hb9 h ILE 756 Cb 0.55 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3hb9 h ILE 756 CO 0.03 0.48 0.35 1.23 0.00 0.00 0.00 178.15 180.24 3hb9 h GLY 757 N 1.16 0.84 0.79 5.37 0.00 -1.38 -1.40 103.07 108.44 3hb9 h GLY 757 Ca 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3hb9 h GLY 757 CO 0.07 0.34 -0.04 0.83 0.00 0.00 0.00 176.54 177.74 3hb9 h GLU 758 N 0.78 0.34 -0.49 4.80 4.39 -1.37 -3.23 114.58 119.80 3hb9 h GLU 758 Ca 0.21 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 3hb9 h GLU 758 Cb -0.02 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3hb9 h GLU 758 CO -0.04 0.60 0.01 -0.07 -1.16 0.00 0.00 179.01 178.36 3hb9 h LEU 759 N 0.06 0.78 -1.44 1.33 3.38 -1.35 -2.69 115.31 115.38 3hb9 h LEU 759 Ca 0.05 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.90 3hb9 h LEU 759 Cb 0.47 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hb9 h LEU 759 CO 0.02 0.84 0.45 0.50 0.09 0.00 0.00 178.44 180.34 3hb9 h LYS 760 N 0.76 0.66 -0.00 1.13 1.63 -1.27 -0.39 116.57 119.09 3hb9 h LYS 760 Ca 0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3hb9 h LYS 760 Cb 0.44 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3hb9 h LYS 760 CO 0.02 0.43 -0.57 -1.13 -3.45 0.00 0.00 179.45 174.76 3hb9 n SER 761 N -4.48 0.72 0.04 4.20 3.41 -1.15 -4.26 113.62 112.10 3hb9 n SER 761 Ca 0.10 -0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 57.98 3hb9 n SER 761 Cb 0.24 0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 3hb9 n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hb9 h ALA 762 N 3.12 0.30 -3.79 7.33 0.00 -0.78 -3.47 119.26 121.96 3hb9 h ALA 762 Ca 0.00 -1.24 -0.45 0.00 0.00 0.00 0.00 54.91 53.22 3hb9 h ALA 762 Cb 0.51 0.52 -0.25 0.00 0.00 0.00 0.00 17.79 18.57 3hb9 h ALA 762 CO 0.00 1.17 -0.80 0.14 0.00 0.00 0.00 179.25 179.76 3hb9 s VAL 763 N -2.58 1.15 0.29 0.00 -7.23 -0.54 -4.93 120.40 106.56 3hb9 s VAL 763 Ca -0.17 -1.00 0.11 0.00 -1.81 0.00 0.00 61.98 59.12 3hb9 s VAL 763 Cb 0.06 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 3hb9 s VAL 763 CO 0.82 0.03 1.65 0.44 -0.31 0.00 0.00 175.10 177.74 3hb9 h ASP 765 N 4.96 0.00 -1.92 4.85 3.45 -1.88 -3.43 116.42 122.44 3hb9 h ASP 765 Ca -0.38 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.43 3hb9 h ASP 765 Cb 1.18 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 40.04 3hb9 h ASP 765 CO 0.44 0.57 0.07 0.18 -1.57 0.00 0.00 179.24 178.93 3hb9 n LEU 766 N -3.84 1.07 -4.73 1.55 4.32 -1.26 -4.96 117.00 109.15 3hb9 n LEU 766 Ca -0.01 1.15 -0.33 0.00 -0.02 0.00 0.00 56.01 56.81 3hb9 n LEU 766 Cb 0.58 -1.18 0.10 0.00 -1.62 0.00 0.00 43.42 41.30 3hb9 n LEU 766 CO 0.41 -1.65 0.74 -2.84 -1.22 0.00 0.00 177.39 172.83 3hb9 s PRO 767 N -0.89 2.04 -0.17 3.23 0.02 -1.26 -4.74 135.00 133.23 3hb9 s PRO 767 Ca 0.67 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 3hb9 s PRO 767 Cb -0.83 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.82 3hb9 s PRO 767 CO 0.56 -1.86 -0.02 0.42 -0.33 0.00 0.00 177.00 175.77 3hb9 s ILE 768 N -2.40 3.92 -0.27 2.83 -1.09 -1.26 -1.25 121.20 121.69 3hb9 s ILE 768 Ca 0.68 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.72 3hb9 s ILE 768 Cb -0.23 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3hb9 s ILE 768 CO 0.50 0.47 0.02 -2.28 -1.23 0.00 0.00 174.94 172.42 3hb9 s HIS 769 N 0.61 3.09 -0.13 3.97 2.46 0.14 -1.50 115.29 123.92 3hb9 s HIS 769 Ca -0.02 -1.06 -0.05 0.00 0.47 0.00 0.00 55.06 54.40 3hb9 s HIS 769 Cb -0.14 -2.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 3hb9 s HIS 769 CO 0.02 -0.59 0.03 -1.17 -2.47 0.00 0.00 174.74 170.57 3hb9 s LEU 770 N 1.46 3.71 -0.06 8.88 2.96 0.63 -1.13 118.68 135.14 3hb9 s LEU 770 Ca 0.03 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3hb9 s LEU 770 Cb -0.16 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3hb9 s LEU 770 CO -0.00 0.28 0.03 -2.28 -1.32 0.00 0.00 176.35 173.06 3hb9 s HIS 771 N -0.30 0.38 0.18 5.38 5.65 -0.43 -0.97 115.29 125.17 3hb9 s HIS 771 Ca 0.07 0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.42 3hb9 s HIS 771 Cb -0.12 -0.64 -0.04 0.00 -1.18 0.00 0.00 32.58 30.59 3hb9 s HIS 771 CO 0.02 -0.26 0.05 -0.08 -0.65 0.00 0.00 174.74 173.82 3hb9 s THR 772 N 2.03 0.37 0.10 0.89 -1.32 -1.26 0.55 115.64 117.00 3hb9 s THR 772 Ca 0.04 -1.96 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 3hb9 s THR 772 Cb -0.12 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 3hb9 s THR 772 CO -0.04 -0.33 -0.00 -1.00 -2.21 0.00 0.00 174.62 171.03 3hb9 s HIS 773 N -3.88 2.96 -0.41 9.09 3.76 -1.19 -4.45 115.29 121.18 3hb9 s HIS 773 Ca 0.28 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.20 3hb9 s HIS 773 Cb 0.07 -1.51 0.66 0.00 1.11 0.00 0.00 32.58 32.91 3hb9 s HIS 773 CO 0.06 0.48 1.86 -3.47 -0.85 0.00 0.00 174.74 172.82 3hb9 n ASP 774 N 0.49 3.93 -0.22 1.40 4.64 0.22 -4.25 116.55 122.76 3hb9 n ASP 774 Ca -0.11 -3.47 0.04 0.00 -1.38 0.00 0.00 54.79 49.87 3hb9 n ASP 774 Cb 0.52 -0.81 0.29 0.00 -1.04 0.00 0.00 41.12 40.08 3hb9 n ASP 774 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 3hb9 h THR 775 N 1.29 1.09 0.00 5.18 2.02 -1.86 -1.36 112.91 119.27 3hb9 h THR 775 Ca 0.54 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 3hb9 h THR 775 Cb 2.70 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3hb9 h THR 775 CO 1.00 0.17 -0.26 0.77 0.37 0.00 0.00 175.52 177.56 3hb9 h SER 776 N 0.91 0.00 0.00 4.18 4.64 -1.81 0.89 113.55 122.37 3hb9 h SER 776 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3hb9 h SER 776 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hb9 h SER 776 CO -0.10 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3hb9 n GLY 777 N 0.32 1.01 1.22 -0.77 0.00 -0.52 -4.45 105.19 102.01 3hb9 n GLY 777 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 3.63 -0.23 1.61 5.03 -1.26 -4.63 115.26 119.41 3hb9 n ASN 778 Ca 0.00 -2.00 -0.01 0.00 0.87 0.00 0.00 54.58 53.44 3hb9 n ASN 778 Cb 0.00 -0.32 0.06 0.00 -1.02 0.00 0.00 39.78 38.51 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 4.49 0.38 0.92 7.41 0.00 -1.84 -0.76 103.07 113.67 3hb9 h GLY 779 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.61 3hb9 h GLY 779 CO 0.00 -0.25 0.26 1.41 0.00 0.00 0.00 176.54 177.96 3hb9 h LEU 780 N -0.03 0.43 -1.12 3.11 3.38 -1.96 -2.00 115.31 117.12 3hb9 h LEU 780 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 3hb9 h LEU 780 Cb 0.51 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3hb9 h LEU 780 CO -0.70 0.31 0.49 -0.07 0.09 0.00 0.00 178.44 178.56 3hb9 h LEU 781 N 0.53 0.97 -0.88 1.67 3.38 -1.72 -1.84 115.31 117.42 3hb9 h LEU 781 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hb9 h LEU 781 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3hb9 h LEU 781 CO -0.07 0.74 0.50 0.74 0.09 0.00 0.00 178.44 180.44 3hb9 h THR 782 N 1.12 1.25 -0.09 0.22 2.02 -0.47 -0.56 112.91 116.39 3hb9 h THR 782 Ca 0.29 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3hb9 h THR 782 Cb -0.05 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3hb9 h THR 782 CO -0.06 0.27 -0.13 1.88 0.37 0.00 0.00 175.52 177.85 3hb9 h TYR 783 N 1.22 0.30 -0.72 3.16 0.99 -1.10 -1.76 116.97 119.06 3hb9 h TYR 783 Ca 0.31 -0.10 0.05 0.00 2.00 0.00 0.00 58.73 60.99 3hb9 h TYR 783 Cb -0.00 -0.06 -0.05 0.00 1.00 0.00 0.00 36.73 37.62 3hb9 h TYR 783 CO 0.00 0.72 0.44 -0.22 -0.00 0.00 0.00 178.16 179.10 3hb9 h LYS 784 N -0.21 0.80 0.00 4.88 3.11 -1.23 0.46 116.57 124.38 3hb9 h LYS 784 Ca 0.01 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 3hb9 h LYS 784 Cb 0.69 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 3hb9 h LYS 784 CO 0.03 0.53 -0.39 1.96 -2.81 0.00 0.00 179.45 178.77 3hb9 h GLN 785 N 0.82 0.00 -0.05 1.90 1.08 -1.13 -1.93 115.11 115.80 3hb9 h GLN 785 Ca 0.31 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.27 3hb9 h GLN 785 Cb 0.11 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3hb9 h GLN 785 CO -0.15 0.39 -0.91 0.00 -0.95 0.00 0.00 178.83 177.21 3hb9 h ALA 786 N 1.61 0.28 -0.85 3.87 0.00 -0.36 -3.18 119.26 120.64 3hb9 h ALA 786 Ca -0.00 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.26 3hb9 h ALA 786 Cb 0.71 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3hb9 h ALA 786 CO 0.05 0.72 0.56 0.82 0.00 0.00 0.00 179.25 181.40 3hb9 h ILE 787 N 0.39 1.19 -0.11 0.00 2.04 0.25 -1.08 117.51 120.19 3hb9 h ILE 787 Ca -0.09 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3hb9 h ILE 787 Cb 1.55 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3hb9 h ILE 787 CO 0.18 0.20 -0.01 0.44 0.00 0.00 0.00 178.15 178.96 3hb9 h ASP 788 N 1.12 0.14 -0.25 1.72 3.32 -1.43 -1.89 116.42 119.15 3hb9 h ASP 788 Ca 0.32 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hb9 h ASP 788 Cb -0.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3hb9 h ASP 788 CO -0.08 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 3hb9 n ALA 789 N -2.51 2.49 -0.00 3.45 0.00 -0.49 -4.94 120.51 118.50 3hb9 n ALA 789 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3hb9 n ALA 789 Cb 0.15 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.18 0.95 3.60 0.00 0.00 -0.71 -4.21 105.19 106.00 3hb9 n GLY 790 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 3hb9 n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hb9 n VAL 791 N -2.00 1.07 -0.07 1.61 3.14 -0.98 -4.93 118.33 116.17 3hb9 n VAL 791 Ca 0.00 -0.27 -0.11 0.00 -2.96 0.00 0.00 64.34 61.00 3hb9 n VAL 791 Cb 0.00 -1.01 -0.10 0.00 -1.06 0.00 0.00 33.84 31.67 3hb9 n VAL 791 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3hb9 h ASP 792 N 3.36 0.00 -4.37 6.55 3.45 -1.80 -3.45 116.42 120.15 3hb9 h ASP 792 Ca -0.43 -0.71 -0.45 0.00 0.43 0.00 0.00 57.03 55.87 3hb9 h ASP 792 Cb 1.33 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.86 3hb9 h ASP 792 CO 0.70 0.90 -0.79 -0.63 -1.57 0.00 0.00 179.24 177.85 3hb9 s ILE 793 N -2.07 1.17 0.03 0.35 1.01 -0.56 -1.43 121.20 119.70 3hb9 s ILE 793 Ca -0.15 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.37 3hb9 s ILE 793 Cb -0.02 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3hb9 s ILE 793 CO 0.51 -0.08 -0.08 0.27 0.00 0.00 0.00 174.94 175.56 3hb9 s ILE 794 N -1.03 0.61 -0.22 2.92 -4.36 -0.88 -0.27 121.20 117.98 3hb9 s ILE 794 Ca 0.01 -0.82 -0.21 0.00 -0.26 0.00 0.00 60.65 59.37 3hb9 s ILE 794 Cb -0.09 -0.61 -0.02 0.00 1.25 0.00 0.00 42.46 43.00 3hb9 s ILE 794 CO 0.02 -0.17 0.67 -1.81 0.24 0.00 0.00 174.94 173.89 3hb9 s ASP 795 N -1.08 6.69 0.30 4.36 1.11 -0.15 -0.51 116.67 127.40 3hb9 s ASP 795 Ca -0.04 0.84 0.03 0.00 0.18 0.00 0.00 52.55 53.56 3hb9 s ASP 795 Cb -0.07 -2.36 -0.06 0.00 1.07 0.00 0.00 42.92 41.49 3hb9 s ASP 795 CO 0.00 -0.35 0.06 0.42 1.18 0.00 0.00 175.17 176.48 3hb9 s THR 796 N 2.26 1.04 0.07 -1.27 -4.23 0.77 -4.56 115.64 109.72 3hb9 s THR 796 Ca 0.29 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3hb9 s THR 796 Cb -0.16 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 3hb9 s THR 796 CO 0.09 -0.04 -0.08 0.00 -0.54 0.00 0.00 174.62 174.06 3hb9 s ALA 797 N -3.41 0.81 0.33 3.99 0.00 -1.09 -1.32 121.76 121.07 3hb9 s ALA 797 Ca 0.36 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 3hb9 s ALA 797 Cb 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 3hb9 s ALA 797 CO 0.14 -0.10 1.44 0.08 0.00 0.00 0.00 175.76 177.33 3hb9 s VAL 798 N -2.37 2.34 0.25 0.00 1.01 -1.26 -0.26 120.40 120.11 3hb9 s VAL 798 Ca 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3hb9 s VAL 798 Cb -0.03 -3.21 0.41 0.00 0.00 0.00 0.00 36.38 33.55 3hb9 s VAL 798 CO -0.02 0.07 1.38 0.00 0.00 0.00 0.00 175.10 176.54 3hb9 n ALA 799 N 1.11 0.23 1.09 5.51 0.00 -1.26 0.03 120.51 127.22 3hb9 n ALA 799 Ca 0.03 0.97 0.13 0.00 0.00 0.00 0.00 53.44 54.57 3hb9 n ALA 799 Cb 0.40 -0.59 0.63 0.00 0.00 0.00 0.00 19.45 19.89 3hb9 n ALA 799 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hb9 n SER 800 N -5.44 0.00 -0.21 0.00 3.41 -1.26 -2.31 113.62 107.81 3hb9 n SER 800 Ca 0.15 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 3hb9 n SER 800 Cb 0.46 -0.41 0.16 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.41 1.55 -4.49 4.33 2.00 0.10 -4.79 117.12 114.42 3hb9 n MET 801 Ca 0.09 -2.63 -0.29 0.00 0.00 0.00 0.00 57.70 54.87 3hb9 n MET 801 Cb 0.28 -1.56 -0.08 0.00 0.00 0.00 0.00 33.22 31.86 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 -2.73 4.18 0.00 7.83 1.04 -0.70 -4.69 113.70 118.63 3hb9 s SER 802 Ca 0.34 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.36 3hb9 s SER 802 Cb 0.29 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3hb9 s SER 802 CO 0.04 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3hb9 n GLY 803 N -1.23 -0.56 0.60 7.32 0.00 -0.74 -4.89 105.19 105.69 3hb9 n GLY 803 Ca -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3hb9 n GLY 803 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3hb9 n LEU 804 N -1.06 -0.46 0.00 0.99 -0.00 -1.21 -2.17 117.00 113.09 3hb9 n LEU 804 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 3hb9 n LEU 804 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 3hb9 n LEU 804 CO 0.00 -0.50 0.00 0.35 -0.00 0.00 0.00 177.39 177.24 3hb9 n THR 805 N 1.53 0.00 -2.68 1.47 -2.24 -1.26 -4.77 114.28 106.33 3hb9 n THR 805 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3hb9 n THR 805 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.00 0.47 -4.80 3.42 2.88 -0.92 -4.63 113.62 110.03 3hb9 n SER 806 Ca 0.00 -1.37 -0.34 0.00 -1.33 0.00 0.00 58.87 55.83 3hb9 n SER 806 Cb 0.00 -0.15 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 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 -2.92 4.06 0.43 -1.46 1.11 -1.26 -0.61 119.66 119.01 3hb9 s GLN 807 Ca 0.17 1.29 -0.26 0.00 0.01 0.00 0.00 55.36 56.57 3hb9 s GLN 807 Cb -0.01 -2.23 -0.09 0.00 -1.01 0.00 0.00 33.01 29.66 3hb9 s GLN 807 CO 0.11 -0.19 1.36 -2.30 0.01 0.00 0.00 175.29 174.27 3hb9 n PRO 808 N -0.63 2.13 -1.68 2.91 -0.02 -1.26 -1.79 135.00 134.67 3hb9 n PRO 808 Ca 0.07 0.76 -0.46 0.00 -2.02 0.00 0.00 63.50 61.85 3hb9 n PRO 808 Cb 0.53 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 3hb9 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hb9 n SER 809 N 0.10 3.68 -0.23 2.55 2.88 -1.26 -2.66 113.62 118.68 3hb9 n SER 809 Ca 0.05 0.95 -0.05 0.00 -1.33 0.00 0.00 58.87 58.50 3hb9 n SER 809 Cb 0.40 -1.42 0.11 0.00 -0.75 0.00 0.00 64.21 62.55 3hb9 n SER 809 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hb9 h ALA 810 N 9.55 1.10 -0.50 -1.46 0.00 -0.96 -2.05 119.26 124.94 3hb9 h ALA 810 Ca -0.49 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.23 3hb9 h ALA 810 Cb 1.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3hb9 h ALA 810 CO 0.95 0.62 0.32 -0.91 0.00 0.00 0.00 179.25 180.23 3hb9 h ASN 811 N 1.02 0.55 -0.43 0.00 -0.26 -1.90 -1.68 115.58 112.88 3hb9 h ASN 811 Ca 0.23 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 3hb9 h ASN 811 Cb 0.26 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3hb9 h ASN 811 CO -0.01 0.39 0.10 0.28 -1.06 0.00 0.00 177.43 177.13 3hb9 h SER 812 N 0.65 0.65 -0.21 5.81 0.02 -1.90 -3.04 113.55 115.54 3hb9 h SER 812 Ca 0.19 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3hb9 h SER 812 Cb -0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3hb9 h SER 812 CO -0.06 0.72 0.05 0.25 -1.14 0.00 0.00 176.83 176.64 3hb9 h LEU 813 N 0.56 0.41 -0.34 5.07 5.85 -1.07 -0.60 115.31 125.18 3hb9 h LEU 813 Ca 0.13 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hb9 h LEU 813 Cb 0.32 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3hb9 h LEU 813 CO 0.00 0.44 0.21 0.22 -0.34 0.00 0.00 178.44 178.97 3hb9 h TYR 814 N 0.44 0.40 0.00 1.25 3.20 -1.19 -2.45 116.97 118.61 3hb9 h TYR 814 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3hb9 h TYR 814 Cb 0.22 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3hb9 h TYR 814 CO 0.01 0.24 -0.33 1.88 -1.64 0.00 0.00 178.16 178.32 3hb9 h TYR 815 N 0.43 0.00 0.00 -3.82 -1.99 -1.56 -3.25 116.97 106.77 3hb9 h TYR 815 Ca 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 3hb9 h TYR 815 Cb -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 3hb9 h TYR 815 CO -0.06 0.27 -0.22 0.00 -0.00 0.00 0.00 178.16 178.15 3hb9 h ALA 816 N 1.73 1.33 -0.40 3.88 0.00 -0.66 -2.68 119.26 122.46 3hb9 h ALA 816 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hb9 h ALA 816 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hb9 h ALA 816 CO 0.03 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.84 3hb9 n LEU 817 N -3.83 2.81 -4.71 0.00 4.77 -1.00 -4.89 117.00 110.13 3hb9 n LEU 817 Ca -0.02 -1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 54.26 3hb9 n LEU 817 Cb 0.32 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3hb9 n LEU 817 CO 0.34 0.64 1.29 0.20 -1.33 0.00 0.00 177.39 178.54 3hb9 s ASN 818 N -1.31 6.52 0.00 -1.43 0.02 -1.01 -2.20 114.94 115.53 3hb9 s ASN 818 Ca 0.36 2.68 0.00 0.00 -1.02 0.00 0.00 52.86 54.88 3hb9 s ASN 818 Cb 0.20 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.88 3hb9 s ASN 818 CO 0.28 -0.88 0.00 0.61 0.02 0.00 0.00 177.10 177.12 3hb9 n GLY 819 N 3.87 3.17 3.89 0.66 0.00 -1.26 -5.04 105.19 110.48 3hb9 n GLY 819 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 3.46 0.18 1.61 0.40 -0.94 -5.02 117.98 115.64 3hb9 s PHE 820 Ca 0.00 0.85 -0.24 0.00 -0.60 0.00 0.00 56.93 56.94 3hb9 s PHE 820 Cb 0.00 -2.27 0.07 0.00 0.51 0.00 0.00 43.02 41.33 3hb9 s PHE 820 CO 0.00 0.06 1.57 -1.35 0.70 0.00 0.00 175.22 176.20 3hb9 h PRO 821 N 1.60 -0.17 -5.56 0.24 0.11 -1.96 -3.41 132.00 122.85 3hb9 h PRO 821 Ca -0.47 0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 3hb9 h PRO 821 Cb 1.19 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3hb9 h PRO 821 CO 0.65 -0.11 -0.49 1.03 -0.21 0.00 0.00 178.00 178.87 3hb9 s ARG 822 N -5.85 3.61 0.27 1.05 0.52 -1.26 -5.07 118.95 112.22 3hb9 s ARG 822 Ca -0.14 -0.17 0.11 0.00 -0.52 0.00 0.00 55.73 55.01 3hb9 s ARG 822 Cb 0.14 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 3hb9 s ARG 822 CO 0.67 0.65 -0.13 -3.38 0.02 0.00 0.00 175.30 173.13 3hb9 s HIS 823 N -0.66 2.44 -0.12 -0.53 -3.43 -1.26 -4.88 115.29 106.84 3hb9 s HIS 823 Ca 0.13 -0.29 -0.28 0.00 -0.80 0.00 0.00 55.06 53.82 3hb9 s HIS 823 Cb -0.12 -1.07 -0.02 0.00 -1.43 0.00 0.00 32.58 29.95 3hb9 s HIS 823 CO 0.02 0.68 0.93 -1.17 -2.00 0.00 0.00 174.74 173.20 3hb9 s LEU 824 N -3.55 4.24 -0.67 5.38 2.96 -1.26 -1.28 118.68 124.49 3hb9 s LEU 824 Ca 0.30 1.40 -0.24 0.00 -0.22 0.00 0.00 54.13 55.37 3hb9 s LEU 824 Cb -0.06 -3.42 0.05 0.00 0.50 0.00 0.00 46.19 43.26 3hb9 s LEU 824 CO 0.17 -0.40 1.08 -0.60 -1.32 0.00 0.00 176.35 175.28 3hb9 s ARG 825 N 1.92 3.18 0.08 1.98 3.52 -0.70 -4.93 118.95 123.99 3hb9 s ARG 825 Ca 0.45 -0.52 -0.27 0.00 -0.13 0.00 0.00 55.73 55.26 3hb9 s ARG 825 Cb -0.18 -4.18 0.09 0.00 -1.56 0.00 0.00 34.95 29.12 3hb9 s ARG 825 CO 0.17 -1.88 1.12 -0.08 -0.81 0.00 0.00 175.30 173.82 3hb9 s THR 826 N 4.65 0.00 -0.38 4.11 -1.32 -1.26 -4.52 115.64 116.92 3hb9 s THR 826 Ca 0.28 -0.45 -0.17 0.00 -1.21 0.00 0.00 61.69 60.14 3hb9 s THR 826 Cb -0.13 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 3hb9 s THR 826 CO 0.14 0.00 0.46 -0.62 -2.21 0.00 0.00 174.62 172.39 3hb9 s ASP 827 N -3.10 6.24 -0.05 8.08 3.68 -1.23 -4.99 116.67 125.30 3hb9 s ASP 827 Ca 0.16 -0.35 -0.18 0.00 2.13 0.00 0.00 52.55 54.31 3hb9 s ASP 827 Cb 0.01 -2.24 -0.12 0.00 -1.45 0.00 0.00 42.92 39.11 3hb9 s ASP 827 CO 0.00 -0.52 0.74 0.40 0.13 0.00 0.00 175.17 175.93 3hb9 h ILE 828 N 5.67 0.51 -0.78 4.11 5.03 -1.98 -0.99 117.51 129.09 3hb9 h ILE 828 Ca -0.27 -0.94 0.12 0.00 -0.12 0.00 0.00 64.86 63.64 3hb9 h ILE 828 Cb 1.12 0.86 -0.05 0.00 -3.03 0.00 0.00 36.82 35.72 3hb9 h ILE 828 CO 0.78 0.13 0.51 -0.08 -0.68 0.00 0.00 178.15 178.81 3hb9 h GLU 829 N -0.97 0.57 -0.43 2.37 4.57 -2.00 -0.27 114.58 118.43 3hb9 h GLU 829 Ca -0.03 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3hb9 h GLU 829 Cb 0.46 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hb9 h GLU 829 CO 0.05 0.38 -0.03 0.78 -1.18 0.00 0.00 179.01 179.01 3hb9 h GLY 830 N 0.59 0.85 1.54 1.92 0.00 -1.95 -2.48 103.07 103.53 3hb9 h GLY 830 Ca 0.37 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3hb9 h GLY 830 CO -0.14 0.60 -0.24 -0.33 0.00 0.00 0.00 176.54 176.43 3hb9 h MET 831 N 0.62 0.54 -0.43 4.80 2.86 0.21 -0.20 114.93 123.32 3hb9 h MET 831 Ca 0.12 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3hb9 h MET 831 Cb 0.54 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3hb9 h MET 831 CO 0.03 0.74 0.25 0.93 1.06 0.00 0.00 176.91 179.91 3hb9 h GLU 832 N 0.47 0.58 -0.95 1.72 4.39 -1.10 0.15 114.58 119.85 3hb9 h GLU 832 Ca 0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3hb9 h GLU 832 Cb 0.67 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 3hb9 h GLU 832 CO 0.05 0.45 0.61 1.03 -1.16 0.00 0.00 179.01 179.98 3hb9 h SER 833 N 0.56 1.11 -0.52 1.42 0.87 -0.96 0.44 113.55 116.48 3hb9 h SER 833 Ca 0.15 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 3hb9 h SER 833 Cb 0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3hb9 h SER 833 CO -0.03 0.83 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.88 3hb9 h LEU 834 N 1.30 1.02 -0.59 2.23 3.38 -0.83 -2.54 115.31 119.28 3hb9 h LEU 834 Ca 0.35 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hb9 h LEU 834 Cb -0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.33 3hb9 h LEU 834 CO -0.07 1.16 0.39 -1.28 0.09 0.00 0.00 178.44 178.73 3hb9 h SER 835 N 0.88 0.67 -0.47 -0.43 0.87 0.21 -0.54 113.55 114.74 3hb9 h SER 835 Ca 0.13 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3hb9 h SER 835 Cb 0.72 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3hb9 h SER 835 CO 0.06 0.49 0.03 0.45 -0.53 0.00 0.00 176.83 177.32 3hb9 h HIS 836 N 0.80 0.93 0.13 2.24 3.86 -0.91 -0.86 115.15 121.35 3hb9 h HIS 836 Ca 0.22 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3hb9 h HIS 836 Cb -0.09 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.13 3hb9 h HIS 836 CO -0.03 0.84 -0.06 -0.92 0.86 0.00 0.00 177.93 178.61 3hb9 h TYR 837 N 0.82 -0.16 0.00 2.45 3.20 -1.09 -3.17 116.97 119.02 3hb9 h TYR 837 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hb9 h TYR 837 Cb 0.45 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3hb9 h TYR 837 CO 0.03 0.08 0.00 -1.49 -1.64 0.00 0.00 178.16 175.14 3hb9 h TRP 838 N -0.40 0.00 -0.46 -3.82 4.06 -0.95 -2.01 115.95 112.38 3hb9 h TRP 838 Ca -0.02 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 3hb9 h TRP 838 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3hb9 h TRP 838 CO -0.00 0.00 -0.13 1.03 -3.56 0.00 0.00 178.44 175.78 3hb9 h SER 839 N 0.00 0.91 -0.04 -3.49 0.87 -1.13 -1.32 113.55 109.35 3hb9 h SER 839 Ca 0.00 -0.37 -0.14 0.00 -1.23 0.00 0.00 61.79 60.05 3hb9 h SER 839 Cb 0.51 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3hb9 h SER 839 CO 0.00 1.07 -0.54 0.74 -0.53 0.00 0.00 176.83 177.57 3hb9 h THR 840 N 0.74 1.41 -0.46 2.23 2.02 -1.42 -3.26 112.91 114.17 3hb9 h THR 840 Ca 0.11 -1.96 0.01 0.00 0.77 0.00 0.00 66.41 65.34 3hb9 h THR 840 Cb 0.68 2.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 3hb9 h THR 840 CO 0.05 0.58 0.29 0.58 0.37 0.00 0.00 175.52 177.38 3hb9 h VAL 841 N -0.05 1.08 -0.38 3.16 2.07 -1.42 -1.82 116.25 118.89 3hb9 h VAL 841 Ca -0.06 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.37 3hb9 h VAL 841 Cb 1.22 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3hb9 h VAL 841 CO 0.11 0.11 0.41 -0.09 0.02 0.00 0.00 177.57 178.13 3hb9 h ARG 842 N 0.58 0.00 0.00 1.57 2.43 -1.31 0.11 114.38 117.77 3hb9 h ARG 842 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3hb9 h ARG 842 Cb -0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3hb9 h ARG 842 CO -0.06 0.00 -0.12 0.00 -1.51 0.00 0.00 179.97 178.28 3hb9 h THR 843 N 0.00 0.38 0.00 0.20 1.03 -1.37 -1.93 112.91 111.22 3hb9 h THR 843 Ca 0.18 -0.69 -0.03 0.00 -0.01 0.00 0.00 66.41 65.86 3hb9 h THR 843 Cb 1.00 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 69.59 3hb9 h THR 843 CO -0.00 0.12 -0.13 1.88 -0.01 0.00 0.00 175.52 177.37 3hb9 h TYR 844 N 0.00 0.00 -0.71 0.00 0.99 -0.87 -3.23 116.97 113.14 3hb9 h TYR 844 Ca -0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 3hb9 h TYR 844 Cb 0.50 0.00 -0.27 0.00 1.00 0.00 0.00 36.73 37.96 3hb9 h TYR 844 CO 0.00 0.13 0.05 0.66 -0.00 0.00 0.00 178.16 179.01 3hb9 n TYR 845 N -3.62 2.35 0.37 4.88 4.02 -0.72 -4.72 117.16 119.72 3hb9 n TYR 845 Ca -0.02 -2.21 0.12 0.00 -0.01 0.00 0.00 57.90 55.78 3hb9 n TYR 845 Cb 0.26 -0.77 0.51 0.00 -0.02 0.00 0.00 39.34 39.31 3hb9 n TYR 845 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hb9 n SER 846 N -0.96 0.68 0.21 7.72 3.41 -1.22 -1.82 113.62 121.63 3hb9 n SER 846 Ca 0.47 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.89 3hb9 n SER 846 Cb 0.98 -0.82 0.26 0.00 -0.26 0.00 0.00 64.21 64.37 3hb9 n SER 846 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hb9 h ASP 847 N 0.00 0.00 -0.47 4.04 3.32 -1.91 -3.23 116.42 118.17 3hb9 h ASP 847 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hb9 h ASP 847 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hb9 h ASP 847 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3hb9 n PHE 848 N -2.95 0.64 -2.12 4.55 3.01 -0.76 -4.95 117.46 114.88 3hb9 n PHE 848 Ca 0.04 -0.50 -0.41 0.00 1.01 0.00 0.00 57.45 57.58 3hb9 n PHE 848 Cb 0.49 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3hb9 n PHE 848 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hb9 s GLU 849 N -1.02 4.33 0.73 -1.08 0.41 -1.19 -3.74 118.70 117.13 3hb9 s GLU 849 Ca 0.32 2.16 -0.14 0.00 -0.41 0.00 0.00 54.97 56.90 3hb9 s GLU 849 Cb 0.17 -3.17 0.04 0.00 -1.78 0.00 0.00 34.13 29.39 3hb9 s GLU 849 CO 0.21 -0.36 1.15 0.45 -0.49 0.00 0.00 175.26 176.23 3hb9 s SER 852 N 0.49 4.39 0.00 -0.19 0.15 -1.18 -4.97 113.70 112.39 3hb9 s SER 852 Ca 0.59 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.65 3hb9 s SER 852 Cb -0.39 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 61.96 3hb9 s SER 852 CO 0.38 -2.12 1.48 -0.90 1.20 0.00 0.00 173.24 173.28 3hb9 n ASP 853 N -2.89 0.59 -4.75 5.45 5.68 -1.26 -4.88 116.55 114.50 3hb9 n ASP 853 Ca 0.12 -0.37 -0.40 0.00 -0.50 0.00 0.00 54.79 53.64 3hb9 n ASP 853 Cb 0.51 0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 40.64 3hb9 n ASP 853 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3hb9 s ILE 854 N -2.88 4.61 -0.01 2.12 -4.36 -1.26 -4.95 121.20 114.47 3hb9 s ILE 854 Ca 0.14 1.73 0.01 0.00 -0.26 0.00 0.00 60.65 62.27 3hb9 s ILE 854 Cb 0.18 -4.16 0.01 0.00 1.25 0.00 0.00 42.46 39.74 3hb9 s ILE 854 CO 0.65 0.39 0.81 2.29 0.24 0.00 0.00 174.94 179.31 3hb9 n LYS 855 N 2.56 1.59 -3.99 0.37 2.85 -1.26 -5.07 118.16 115.20 3hb9 n LYS 855 Ca -0.02 -1.13 -0.09 0.00 -1.05 0.00 0.00 58.31 56.02 3hb9 n LYS 855 Cb 0.50 -0.80 -0.10 0.00 -0.65 0.00 0.00 35.03 33.97 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 -0.69 0.29 0.44 -5.58 0.01 -1.26 -5.13 113.70 101.78 3hb9 s SER 856 Ca 0.02 -0.65 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 3hb9 s SER 856 Cb 0.01 0.17 -0.08 0.00 0.21 0.00 0.00 66.02 66.34 3hb9 s SER 856 CO 0.00 -0.46 1.21 -2.16 0.41 0.00 0.00 173.24 172.25 3hb9 s PRO 857 N -2.55 3.85 -0.12 12.44 0.04 -1.26 -5.02 135.00 142.37 3hb9 s PRO 857 Ca -0.06 1.91 0.02 0.00 0.04 0.00 0.00 61.00 62.91 3hb9 s PRO 857 Cb -0.02 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 3hb9 s PRO 857 CO -0.05 -0.52 -0.19 1.21 0.04 0.00 0.00 177.00 177.50 3hb9 s ASN 858 N -1.13 3.46 0.00 6.66 3.04 0.31 -4.96 114.94 122.31 3hb9 s ASN 858 Ca 0.61 -0.48 0.22 0.00 0.04 0.00 0.00 52.86 53.24 3hb9 s ASN 858 Cb -0.32 -1.50 -0.00 0.00 -1.54 0.00 0.00 41.25 37.89 3hb9 s ASN 858 CO 0.40 0.14 1.08 0.35 -3.04 0.00 0.00 177.10 176.02 3hb9 n THR 859 N 3.70 0.00 0.72 -5.21 -2.24 -1.26 -3.77 114.28 106.21 3hb9 n THR 859 Ca -0.19 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3hb9 n THR 859 Cb 0.52 1.27 0.43 0.00 -2.10 0.00 0.00 70.33 70.45 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 0.04 0.05 0.06 -0.78 1.02 -1.26 -3.01 120.64 116.76 3hb9 n GLU 860 Ca 0.09 0.15 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 3hb9 n GLU 860 Cb 0.47 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.91 3hb9 n GLU 860 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hb9 h ILE 861 N 0.00 1.00 0.00 -3.67 1.08 -1.97 -0.92 117.51 113.03 3hb9 h ILE 861 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3hb9 h ILE 861 Cb 0.31 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 3hb9 h ILE 861 CO 0.00 0.06 0.00 -1.22 -0.69 0.00 0.00 178.15 176.30 3hb9 n TYR 862 N -4.49 0.00 -0.04 1.37 0.53 -1.16 -0.46 117.16 112.91 3hb9 n TYR 862 Ca 0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.88 3hb9 n TYR 862 Cb 0.18 -0.29 -0.01 0.00 -1.03 0.00 0.00 39.34 38.18 3hb9 n TYR 862 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3hb9 n GLN 863 N -1.29 0.22 0.21 -0.72 1.13 -0.36 -4.74 117.38 111.82 3hb9 n GLN 863 Ca 0.04 0.11 0.10 0.00 -1.94 0.00 0.00 57.00 55.32 3hb9 n GLN 863 Cb 0.07 -0.92 0.18 0.00 0.11 0.00 0.00 30.24 29.68 3hb9 n GLN 863 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 3hb9 h HIS 864 N -0.43 0.00 -3.52 1.08 2.07 -1.53 -3.45 115.15 109.37 3hb9 h HIS 864 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3hb9 h HIS 864 Cb 0.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 3hb9 h HIS 864 CO -0.18 0.12 -0.40 0.39 -3.07 0.00 0.00 177.93 174.79 3hb9 n GLU 865 N -3.14 -2.03 -2.17 5.12 1.02 0.39 -4.63 120.64 115.22 3hb9 n GLU 865 Ca 0.03 0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 3hb9 n GLU 865 Cb 0.56 -5.38 -0.02 0.00 -0.02 0.00 0.00 31.44 26.57 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 -5.04 4.15 0.64 3.49 -1.94 -1.26 -4.89 119.30 114.45 3hb9 s MET 866 Ca 0.00 1.94 -0.13 0.00 -1.71 0.00 0.00 55.69 55.79 3hb9 s MET 866 Cb -0.00 -3.92 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 3hb9 s MET 866 CO 0.00 -0.85 1.05 -1.25 -0.01 0.00 0.00 175.02 173.96 3hb9 s PRO 867 N 3.93 3.23 0.00 2.03 0.04 -1.26 -4.68 135.00 138.28 3hb9 s PRO 867 Ca 0.67 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3hb9 s PRO 867 Cb -0.28 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3hb9 s PRO 867 CO 0.24 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3hb9 n GLY 868 N -1.82 0.53 0.15 0.56 0.00 -0.47 -1.28 105.19 102.85 3hb9 n GLY 868 Ca 0.07 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.29 3hb9 n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hb9 h GLY 869 N 0.00 0.00 -0.61 -0.02 0.00 -1.90 -3.39 103.07 97.15 3hb9 h GLY 869 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3hb9 h GLY 869 CO 0.00 0.00 -0.33 -0.18 0.00 0.00 0.00 176.54 176.03 3hb9 n GLN 870 N -3.16 -0.24 -2.09 4.80 -0.06 -0.41 -2.72 117.38 113.49 3hb9 n GLN 870 Ca 0.01 0.93 -0.43 0.00 -2.00 0.00 0.00 57.00 55.51 3hb9 n GLN 870 Cb 0.70 -1.36 -0.03 0.00 -4.06 0.00 0.00 30.24 25.50 3hb9 n GLN 870 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 3hb9 s TYR 871 N -5.37 1.97 0.00 3.69 5.04 -1.26 -0.15 117.35 121.27 3hb9 s TYR 871 Ca -0.08 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3hb9 s TYR 871 Cb 0.08 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.21 3hb9 s TYR 871 CO 0.39 -2.70 0.00 0.45 -1.34 0.00 0.00 175.55 172.35 3hb9 n SER 872 N 9.86 0.00 -0.07 4.32 2.88 -1.23 -4.85 113.62 124.53 3hb9 n SER 872 Ca 0.21 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 3hb9 n SER 872 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 3hb9 n SER 872 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3hb9 h ASN 873 N 0.00 0.32 1.18 -3.46 -0.26 -1.23 0.07 115.58 112.20 3hb9 h ASN 873 Ca 0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3hb9 h ASN 873 Cb 0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3hb9 h ASN 873 CO 0.00 0.33 0.00 0.25 -1.06 0.00 0.00 177.43 176.95 3hb9 h LEU 874 N 0.29 0.00 -0.06 1.61 5.85 -0.80 -0.66 115.31 121.54 3hb9 h LEU 874 Ca 0.09 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3hb9 h LEU 874 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hb9 h LEU 874 CO -0.01 0.00 -0.30 -1.28 -0.34 0.00 0.00 178.44 176.51 3hb9 h SER 875 N 0.00 0.37 1.08 1.25 0.87 -1.62 -1.84 113.55 113.66 3hb9 h SER 875 Ca 0.00 -0.66 -0.08 0.00 -1.23 0.00 0.00 61.79 59.82 3hb9 h SER 875 Cb 0.59 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3hb9 h SER 875 CO 0.00 0.96 -0.37 1.56 -0.53 0.00 0.00 176.83 178.45 3hb9 h GLN 876 N -0.21 0.00 -0.08 2.24 1.08 -0.89 -2.20 115.11 115.05 3hb9 h GLN 876 Ca -0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.00 3hb9 h GLN 876 Cb 0.96 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3hb9 h GLN 876 CO 0.06 0.37 -0.72 0.37 -0.95 0.00 0.00 178.83 177.96 3hb9 h GLN 877 N 0.00 0.41 -0.22 1.46 4.15 -1.17 -1.86 115.11 117.88 3hb9 h GLN 877 Ca -0.00 -0.33 -0.11 0.00 0.77 0.00 0.00 58.65 58.97 3hb9 h GLN 877 Cb 1.01 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3hb9 h GLN 877 CO 0.05 0.97 -0.34 0.00 -1.93 0.00 0.00 178.83 177.58 3hb9 h ALA 878 N 0.94 1.00 0.04 3.38 0.00 -1.19 -2.60 119.26 120.82 3hb9 h ALA 878 Ca -0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hb9 h ALA 878 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hb9 h ALA 878 CO 0.12 0.60 -0.02 0.87 0.00 0.00 0.00 179.25 180.83 3hb9 h LYS 879 N 0.40 -0.05 -0.02 0.00 1.79 -1.29 0.51 116.57 117.92 3hb9 h LYS 879 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3hb9 h LYS 879 Cb 0.79 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 3hb9 h LYS 879 CO 0.06 0.08 -0.22 0.66 -1.08 0.00 0.00 179.45 178.95 3hb9 h SER 880 N -0.17 0.03 -0.58 0.86 4.64 -1.30 -1.77 113.55 115.26 3hb9 h SER 880 Ca -0.01 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 3hb9 h SER 880 Cb 0.15 -0.01 -0.12 0.00 -0.31 0.00 0.00 62.40 62.11 3hb9 h SER 880 CO 0.01 0.25 0.26 0.18 -0.87 0.00 0.00 176.83 176.66 3hb9 n LEU 881 N -4.27 5.12 -1.46 5.97 4.32 -0.98 -4.92 117.00 120.77 3hb9 n LEU 881 Ca -0.02 -2.67 -0.11 0.00 -0.02 0.00 0.00 56.01 53.19 3hb9 n LEU 881 Cb 0.28 -0.69 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 3hb9 n LEU 881 CO 0.37 0.73 -0.07 0.61 -1.22 0.00 0.00 177.39 177.81 3hb9 n GLY 882 N -0.18 -0.02 2.45 -0.72 0.00 -0.66 -4.99 105.19 101.08 3hb9 n GLY 882 Ca 0.33 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.89 0.74 -0.01 0.99 4.77 0.18 -4.86 117.00 116.92 3hb9 n LEU 883 Ca -0.10 -4.71 -0.07 0.00 -0.03 0.00 0.00 56.01 51.11 3hb9 n LEU 883 Cb 0.58 0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 3hb9 n LEU 883 CO 0.20 1.90 -0.43 1.23 -1.33 0.00 0.00 177.39 178.96 3hb9 h GLY 884 N 5.10 0.00 0.13 -0.72 0.00 -1.83 -3.28 103.07 102.48 3hb9 h GLY 884 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3hb9 h GLY 884 CO 0.50 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 174.89 3hb9 h GLU 885 N 0.00 -0.17 -0.39 4.80 4.57 -1.94 -3.37 114.58 118.08 3hb9 h GLU 885 Ca -0.25 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3hb9 h GLU 885 Cb 1.93 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 3hb9 h GLU 885 CO 0.08 -0.12 0.00 0.54 -1.18 0.00 0.00 179.01 178.33 3hb9 n ARG 886 N -4.11 0.64 0.33 1.92 1.74 -1.26 -3.91 116.66 112.01 3hb9 n ARG 886 Ca -0.02 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.27 3hb9 n ARG 886 Cb 0.07 -1.20 1.17 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.22 0.00 -0.23 -1.55 3.57 -1.75 -2.47 116.94 114.73 3hb9 h PHE 887 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 3hb9 h PHE 887 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3hb9 h PHE 887 CO 0.00 0.00 -0.59 0.38 -2.23 0.00 0.00 178.31 175.87 3hb9 h ASP 888 N 0.00 0.85 0.54 0.41 2.03 -1.91 -2.30 116.42 116.05 3hb9 h ASP 888 Ca -0.00 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3hb9 h ASP 888 Cb 0.00 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.26 3hb9 h ASP 888 CO 0.00 1.25 -0.18 -1.84 -1.03 0.00 0.00 179.24 177.44 3hb9 n GLU 889 N -3.97 0.37 -0.01 4.15 0.28 -0.96 -3.21 120.64 117.28 3hb9 n GLU 889 Ca -0.04 -0.13 -0.16 0.00 -0.16 0.00 0.00 57.16 56.66 3hb9 n GLU 889 Cb 0.65 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.92 3hb9 n GLU 889 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3hb9 h VAL 890 N 0.32 1.43 -0.25 3.84 2.07 -1.26 -2.61 116.25 119.79 3hb9 h VAL 890 Ca 0.00 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 3hb9 h VAL 890 Cb 0.43 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3hb9 h VAL 890 CO 0.00 0.57 0.13 0.11 0.02 0.00 0.00 177.57 178.40 3hb9 h LYS 891 N -0.12 0.33 0.01 1.57 1.57 -1.40 -0.49 116.57 118.04 3hb9 h LYS 891 Ca -0.05 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 3hb9 h LYS 891 Cb 1.19 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hb9 h LYS 891 CO 0.10 0.25 -0.97 0.22 -0.57 0.00 0.00 179.45 178.47 3hb9 h ASP 892 N 0.34 0.58 -0.09 0.86 3.58 -1.62 -3.21 116.42 116.85 3hb9 h ASP 892 Ca 0.09 -0.47 -0.08 0.00 0.42 0.00 0.00 57.03 56.99 3hb9 h ASP 892 Cb 0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3hb9 h ASP 892 CO -0.02 1.27 -0.17 -0.03 -2.88 0.00 0.00 179.24 177.42 3hb9 h MET 893 N 0.24 0.46 -0.30 0.28 4.05 -0.90 0.58 114.93 119.35 3hb9 h MET 893 Ca -0.09 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.20 3hb9 h MET 893 Cb 1.62 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 3hb9 h MET 893 CO 0.17 0.62 0.16 -0.92 0.23 0.00 0.00 176.91 177.17 3hb9 h TYR 894 N 0.43 0.30 -0.64 1.39 3.20 -1.18 0.48 116.97 120.95 3hb9 h TYR 894 Ca 0.07 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3hb9 h TYR 894 Cb 0.54 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3hb9 h TYR 894 CO 0.02 0.17 0.15 -0.09 -1.64 0.00 0.00 178.16 176.76 3hb9 h ARG 895 N 0.33 1.02 -0.19 1.82 2.43 -1.47 -2.17 114.38 116.15 3hb9 h ARG 895 Ca 0.12 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 3hb9 h ARG 895 Cb 0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3hb9 h ARG 895 CO -0.08 0.91 -0.52 0.00 -1.51 0.00 0.00 179.97 178.78 3hb9 h ARG 896 N 0.97 0.54 -0.31 0.20 3.08 -0.37 -3.15 114.38 115.35 3hb9 h ARG 896 Ca 0.20 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3hb9 h ARG 896 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3hb9 h ARG 896 CO 0.00 0.93 -0.20 0.28 -1.07 0.00 0.00 179.97 179.91 3hb9 h VAL 897 N 0.42 1.30 -0.53 2.04 2.07 0.00 -2.97 116.25 118.58 3hb9 h VAL 897 Ca 0.02 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.31 3hb9 h VAL 897 Cb 1.05 1.48 -0.11 0.00 -1.52 0.00 0.00 31.29 32.19 3hb9 h VAL 897 CO 0.10 0.43 -0.19 -1.13 0.02 0.00 0.00 177.57 176.80 3hb9 h ASN 898 N 0.44 -0.68 0.12 0.57 -0.73 -1.35 -1.00 115.58 112.94 3hb9 h ASN 898 Ca 0.06 0.18 -0.16 0.00 1.87 0.00 0.00 56.30 58.25 3hb9 h ASN 898 Cb 0.75 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 39.73 3hb9 h ASN 898 CO 0.06 -0.22 -0.58 -0.26 -0.37 0.00 0.00 177.43 176.05 3hb9 h PHE 899 N -0.07 0.60 -0.94 0.67 -1.00 -1.61 -0.63 116.94 113.97 3hb9 h PHE 899 Ca 0.25 -0.22 0.08 0.00 2.81 0.00 0.00 57.97 60.88 3hb9 h PHE 899 Cb 0.45 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 39.84 3hb9 h PHE 899 CO -0.49 0.94 0.61 1.25 -1.61 0.00 0.00 178.31 179.00 3hb9 h LEU 900 N 0.36 0.92 -0.02 1.54 6.46 -1.21 -0.18 115.31 123.18 3hb9 h LEU 900 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3hb9 h LEU 900 Cb 1.12 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3hb9 h LEU 900 CO 0.10 0.57 0.00 0.49 -0.62 0.00 0.00 178.44 178.99 3hb9 n PHE 901 N -4.51 0.00 -0.14 1.25 3.01 -0.44 -4.83 117.46 111.79 3hb9 n PHE 901 Ca 0.15 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3hb9 n PHE 901 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 0.88 0.92 2.46 1.37 0.00 -0.08 -4.66 105.19 106.07 3hb9 n GLY 902 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.16 -6.35 -4.80 1.61 4.64 -0.26 -4.70 116.55 106.85 3hb9 n ASP 903 Ca 0.00 0.55 -0.22 0.00 -1.38 0.00 0.00 54.79 53.74 3hb9 n ASP 903 Cb 0.00 -4.19 -0.05 0.00 -1.04 0.00 0.00 41.12 35.84 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 -1.93 3.25 0.03 5.18 -0.00 -1.25 -4.78 121.20 121.70 3hb9 s ILE 904 Ca 0.14 -1.52 -0.30 0.00 -0.00 0.00 0.00 60.65 58.96 3hb9 s ILE 904 Cb -0.04 -3.08 -0.05 0.00 -0.00 0.00 0.00 42.46 39.29 3hb9 s ILE 904 CO 0.56 -0.17 1.27 -0.69 -0.00 0.00 0.00 174.94 175.91 3hb9 s VAL 905 N -2.37 3.91 -0.71 8.37 1.01 -1.26 -5.00 120.40 124.35 3hb9 s VAL 905 Ca 0.40 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 3hb9 s VAL 905 Cb -0.04 -3.86 0.18 0.00 0.00 0.00 0.00 36.38 32.66 3hb9 s VAL 905 CO 0.25 0.06 0.55 -0.54 0.00 0.00 0.00 175.10 175.42 3hb9 s LYS 906 N 1.56 2.86 0.13 2.72 1.02 -1.26 -4.59 119.74 122.18 3hb9 s LYS 906 Ca 0.60 -2.67 0.03 0.00 0.02 0.00 0.00 55.97 53.95 3hb9 s LYS 906 Cb -0.30 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 3hb9 s LYS 906 CO 0.27 -1.21 -0.08 0.08 -0.92 0.00 0.00 175.35 173.50 3hb9 s VAL 907 N -0.28 0.94 -0.05 3.17 1.01 -1.26 -4.55 120.40 119.38 3hb9 s VAL 907 Ca 0.19 -2.01 -0.38 0.00 0.00 0.00 0.00 61.98 59.78 3hb9 s VAL 907 Cb -0.16 -1.83 -0.17 0.00 0.00 0.00 0.00 36.38 34.22 3hb9 s VAL 907 CO -0.06 -0.76 1.46 1.07 0.00 0.00 0.00 175.10 176.82 3hb9 n THR 908 N -0.15 0.10 1.12 3.92 5.66 -1.26 0.26 114.28 123.93 3hb9 n THR 908 Ca -0.10 -0.02 0.12 0.00 -3.05 0.00 0.00 64.05 61.00 3hb9 n THR 908 Cb 0.61 -0.90 0.18 0.00 -1.55 0.00 0.00 70.33 68.67 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 3.41 1.61 -0.08 1.09 -0.04 -1.26 -4.73 135.00 135.01 3hb9 n PRO 909 Ca 0.21 -1.23 0.15 0.00 -0.04 0.00 0.00 63.50 62.59 3hb9 n PRO 909 Cb 0.16 -1.47 0.55 0.00 -0.04 0.00 0.00 33.50 32.70 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 3.00 0.28 -0.37 3.54 4.64 -0.48 0.79 113.55 124.94 3hb9 h SER 910 Ca 0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3hb9 h SER 910 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3hb9 h SER 910 CO 0.00 0.16 -0.10 0.77 -0.87 0.00 0.00 176.83 176.79 3hb9 h SER 911 N 0.30 0.80 0.24 4.97 4.64 -1.52 -2.81 113.55 120.17 3hb9 h SER 911 Ca 0.29 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 3hb9 h SER 911 Cb 0.72 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3hb9 h SER 911 CO -0.07 0.93 -0.32 0.50 -0.87 0.00 0.00 176.83 176.99 3hb9 h LYS 912 N 0.73 0.14 0.09 4.77 3.64 -1.13 -2.46 116.57 122.34 3hb9 h LYS 912 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hb9 h LYS 912 Cb 0.59 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hb9 h LYS 912 CO 0.04 0.45 -0.04 0.28 -2.27 0.00 0.00 179.45 177.90 3hb9 h VAL 913 N 0.12 1.05 -0.55 2.00 2.07 -1.14 -1.82 116.25 117.98 3hb9 h VAL 913 Ca 0.02 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3hb9 h VAL 913 Cb 0.63 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3hb9 h VAL 913 CO 0.05 0.12 0.35 0.58 0.02 0.00 0.00 177.57 178.68 3hb9 h VAL 914 N -0.33 1.10 -0.04 2.57 2.07 -1.46 -1.88 116.25 118.27 3hb9 h VAL 914 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hb9 h VAL 914 Cb 0.28 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3hb9 h VAL 914 CO 0.02 0.13 0.00 1.23 0.02 0.00 0.00 177.57 178.97 3hb9 h GLY 915 N 0.70 0.04 0.61 2.17 0.00 -1.42 0.12 103.07 105.28 3hb9 h GLY 915 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.60 3hb9 h GLY 915 CO -0.07 -0.00 0.22 -0.55 0.00 0.00 0.00 176.54 176.14 3hb9 h ASP 916 N 0.02 0.28 -0.50 0.19 3.32 -1.18 0.12 116.42 118.66 3hb9 h ASP 916 Ca 0.02 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3hb9 h ASP 916 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hb9 h ASP 916 CO -0.02 0.19 0.17 -0.03 -1.72 0.00 0.00 179.24 177.83 3hb9 h MET 917 N 0.43 0.78 0.08 3.56 4.05 -1.07 0.54 114.93 123.30 3hb9 h MET 917 Ca 0.24 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3hb9 h MET 917 Cb 0.21 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3hb9 h MET 917 CO -0.21 0.71 -0.07 0.00 0.23 0.00 0.00 176.91 177.58 3hb9 h ALA 918 N 1.03 -0.14 -0.68 0.39 0.00 -0.32 0.17 119.26 119.70 3hb9 h ALA 918 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hb9 h ALA 918 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hb9 h ALA 918 CO -0.01 -0.59 0.29 1.25 0.00 0.00 0.00 179.25 180.20 3hb9 h LEU 919 N -0.16 0.91 -0.41 0.00 5.85 -0.62 -1.08 115.31 119.79 3hb9 h LEU 919 Ca 0.00 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.42 3hb9 h LEU 919 Cb 0.15 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hb9 h LEU 919 CO -0.01 0.79 -0.71 0.22 -0.34 0.00 0.00 178.44 178.39 3hb9 h TYR 920 N 0.98 0.58 0.00 1.25 3.20 -0.76 -3.18 116.97 119.03 3hb9 h TYR 920 Ca 0.23 -0.25 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 3hb9 h TYR 920 Cb 0.16 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3hb9 h TYR 920 CO 0.01 1.00 -0.75 1.98 -1.64 0.00 0.00 178.16 178.76 3hb9 h MET 921 N 0.30 0.00 0.06 1.82 4.05 -0.14 -3.14 114.93 117.88 3hb9 h MET 921 Ca -0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3hb9 h MET 921 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3hb9 h MET 921 CO 0.12 0.75 -0.03 0.28 0.23 0.00 0.00 176.91 178.26 3hb9 h VAL 922 N 0.00 1.15 -3.94 -5.77 2.07 -1.29 -1.68 116.25 106.79 3hb9 h VAL 922 Ca -0.01 -0.76 -0.49 0.00 0.82 0.00 0.00 66.70 66.26 3hb9 h VAL 922 Cb 1.34 1.65 0.19 0.00 -1.52 0.00 0.00 31.29 32.95 3hb9 h VAL 922 CO 0.10 0.19 0.17 -1.58 0.02 0.00 0.00 177.57 176.46 3hb9 s GLN 923 N -4.80 0.50 0.00 1.57 0.74 -1.19 -2.93 119.66 113.56 3hb9 s GLN 923 Ca -0.15 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.50 3hb9 s GLN 923 Cb 0.03 -1.69 0.00 0.00 1.10 0.00 0.00 33.01 32.45 3hb9 s GLN 923 CO 0.64 -2.89 0.00 0.09 -0.55 0.00 0.00 175.29 172.59 3hb9 n ASN 924 N -4.38 0.00 -3.10 6.67 3.02 -1.26 -4.06 115.26 112.15 3hb9 n ASN 924 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.52 3hb9 n ASN 924 Cb 0.53 -1.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.10 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 0.00 -7.26 -4.06 6.41 8.00 -1.15 -5.02 116.55 113.47 3hb9 n ASP 925 Ca 0.00 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 3hb9 n ASP 925 Cb 0.00 -4.47 -0.16 0.00 -0.02 0.00 0.00 41.12 36.47 3hb9 n ASP 925 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hb9 s LEU 926 N -3.22 1.83 0.00 0.64 2.96 -0.63 -5.07 118.68 115.19 3hb9 s LEU 926 Ca 0.17 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3hb9 s LEU 926 Cb -0.04 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 3hb9 s LEU 926 CO 0.79 0.10 0.00 -0.90 -1.32 0.00 0.00 176.35 175.03 3hb9 n ASP 927 N 3.25 1.95 0.27 3.68 5.75 -1.26 -4.67 116.55 125.52 3hb9 n ASP 927 Ca -0.18 -1.29 0.13 0.00 -0.01 0.00 0.00 54.79 53.43 3hb9 n ASP 927 Cb 0.54 0.06 0.78 0.00 -1.03 0.00 0.00 41.12 41.47 3hb9 n ASP 927 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3hb9 h GLU 928 N 0.00 0.00 0.00 0.11 3.07 -2.01 -2.35 114.58 113.41 3hb9 h GLU 928 Ca -0.05 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.43 3hb9 h GLU 928 Cb 0.17 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 3hb9 h GLU 928 CO 0.09 0.08 -2.43 1.04 -1.40 0.00 0.00 179.01 176.38 3hb9 n GLN 929 N -3.80 0.67 0.27 2.33 3.00 -1.26 -4.36 117.38 114.24 3hb9 n GLN 929 Ca -0.02 0.08 0.15 0.00 -0.01 0.00 0.00 57.00 57.20 3hb9 n GLN 929 Cb 0.18 -1.52 0.74 0.00 0.00 0.00 0.00 30.24 29.64 3hb9 n GLN 929 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3hb9 h SER 930 N 0.00 0.00 0.91 1.08 4.64 -1.94 0.91 113.55 119.15 3hb9 h SER 930 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hb9 h SER 930 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3hb9 h SER 930 CO -0.04 0.09 0.00 1.62 -0.87 0.00 0.00 176.83 177.63 3hb9 h VAL 931 N 0.00 0.00 0.00 0.95 3.04 -1.62 -2.23 116.25 116.39 3hb9 h VAL 931 Ca -0.00 -0.41 -0.23 0.00 -1.01 0.00 0.00 66.70 65.05 3hb9 h VAL 931 Cb 0.42 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 30.99 3hb9 h VAL 931 CO 0.01 0.00 -1.83 -0.38 -1.01 0.00 0.00 177.57 174.36 3hb9 n ILE 932 N -2.82 0.83 -0.29 3.17 5.41 -0.64 -3.55 119.36 121.46 3hb9 n ILE 932 Ca 0.01 -0.28 -0.05 0.00 1.00 0.00 0.00 62.75 63.43 3hb9 n ILE 932 Cb 0.28 -1.26 0.07 0.00 -0.71 0.00 0.00 39.64 38.02 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 -0.20 1.23 -0.04 1.39 2.02 -0.95 -3.19 112.91 113.18 3hb9 h THR 933 Ca -0.34 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3hb9 h THR 933 Cb 1.44 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3hb9 h THR 933 CO -0.12 0.26 0.00 0.47 0.37 0.00 0.00 175.52 176.50 3hb9 n ASP 934 N -4.43 2.55 0.16 4.18 10.43 -0.84 -4.78 116.55 123.82 3hb9 n ASP 934 Ca 0.08 -2.95 0.12 0.00 2.57 0.00 0.00 54.79 54.61 3hb9 n ASP 934 Cb 0.09 -0.40 0.20 0.00 1.84 0.00 0.00 41.12 42.85 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 0.30 0.00 0.98 0.44 0.00 -1.60 -3.37 103.07 99.82 3hb9 h GLY 935 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hb9 h GLY 935 CO 0.03 0.00 0.26 -0.97 0.00 0.00 0.00 176.54 175.86 3hb9 h TYR 936 N 0.00 0.76 -2.45 5.60 0.05 -1.80 -3.09 116.97 116.03 3hb9 h TYR 936 Ca 0.00 -0.04 -0.70 0.00 0.05 0.00 0.00 58.73 58.04 3hb9 h TYR 936 Cb 0.91 -0.24 -0.35 0.00 1.01 0.00 0.00 36.73 38.07 3hb9 h TYR 936 CO 0.00 0.59 0.13 1.17 -1.05 0.00 0.00 178.16 179.00 3hb9 n LYS 937 N -4.58 3.79 0.00 4.88 3.00 -1.26 -4.68 118.16 119.31 3hb9 n LYS 937 Ca 0.02 -4.67 0.00 0.00 -0.00 0.00 0.00 58.31 53.66 3hb9 n LYS 937 Cb 0.12 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 32.77 3hb9 n LYS 937 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3hb9 n LEU 938 N 0.66 0.00 -2.80 3.14 7.94 -1.17 -5.11 117.00 119.66 3hb9 n LEU 938 Ca 0.32 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.15 3hb9 n LEU 938 Cb 0.36 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.31 3hb9 n LEU 938 CO 0.52 0.00 0.01 -0.67 -1.11 0.00 0.00 177.39 176.14 3hb9 n ASP 939 N -1.40 -7.79 -4.84 1.96 -0.08 -1.26 -5.00 116.55 98.14 3hb9 n ASP 939 Ca 0.00 0.59 -0.30 0.00 -1.51 0.00 0.00 54.79 53.57 3hb9 n ASP 939 Cb 0.25 -5.27 0.07 0.00 2.34 0.00 0.00 41.12 38.50 3hb9 n ASP 939 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3hb9 s PHE 940 N -2.48 3.07 0.60 -0.67 0.40 -1.26 -5.01 117.98 112.63 3hb9 s PHE 940 Ca 0.22 1.13 -0.19 0.00 -0.60 0.00 0.00 56.93 57.50 3hb9 s PHE 940 Cb -0.06 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.36 3hb9 s PHE 940 CO 0.75 -1.46 1.20 -2.30 0.70 0.00 0.00 175.22 174.11 3hb9 n PRO 941 N -3.22 1.20 -0.18 0.24 -0.02 -1.26 -4.86 135.00 126.90 3hb9 n PRO 941 Ca 0.07 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3hb9 n PRO 941 Cb 0.56 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 3hb9 n PRO 941 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hb9 h GLU 942 N 0.77 0.64 -0.33 -0.52 4.81 -1.99 -2.39 114.58 115.56 3hb9 h GLU 942 Ca -0.50 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 3hb9 h GLU 942 Cb 1.34 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3hb9 h GLU 942 CO 0.53 0.42 0.04 0.66 -0.73 0.00 0.00 179.01 179.94 3hb9 h SER 943 N 0.65 0.45 -0.28 1.04 4.64 -1.96 -0.63 113.55 117.47 3hb9 h SER 943 Ca 0.21 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 3hb9 h SER 943 Cb -0.01 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hb9 h SER 943 CO -0.08 0.49 -0.51 0.58 -0.87 0.00 0.00 176.83 176.44 3hb9 h VAL 944 N 0.48 1.28 -0.01 0.95 2.07 -1.77 -0.80 116.25 118.45 3hb9 h VAL 944 Ca 0.11 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 3hb9 h VAL 944 Cb 0.25 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3hb9 h VAL 944 CO 0.00 0.55 -0.49 -0.37 0.02 0.00 0.00 177.57 177.29 3hb9 h VAL 945 N 0.61 1.35 -0.17 2.57 -1.51 -1.13 -2.52 116.25 115.45 3hb9 h VAL 945 Ca 0.02 -1.67 -0.08 0.00 -1.23 0.00 0.00 66.70 63.73 3hb9 h VAL 945 Cb 1.12 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 3hb9 h VAL 945 CO 0.11 0.48 -0.22 -1.28 -1.23 0.00 0.00 177.57 175.43 3hb9 h SER 946 N 0.03 0.50 -0.69 4.19 0.87 -0.98 -2.96 113.55 114.52 3hb9 h SER 946 Ca -0.00 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3hb9 h SER 946 Cb 0.87 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 3hb9 h SER 946 CO 0.06 0.90 0.42 0.15 -0.53 0.00 0.00 176.83 177.83 3hb9 h PHE 947 N 0.10 0.90 0.00 2.24 3.04 -1.10 -2.40 116.94 119.73 3hb9 h PHE 947 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3hb9 h PHE 947 Cb 0.78 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.99 3hb9 h PHE 947 CO 0.09 0.60 0.00 1.19 -2.02 0.00 0.00 178.31 178.17 3hb9 n PHE 948 N -4.56 0.00 0.88 0.41 3.01 -0.95 -1.62 117.46 114.62 3hb9 n PHE 948 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.64 3hb9 n PHE 948 Cb 0.05 -0.45 0.29 0.00 -0.01 0.00 0.00 39.48 39.36 3hb9 n PHE 948 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hb9 n LYS 949 N -1.45 0.08 -0.62 -1.08 5.02 -0.93 -4.75 118.16 114.42 3hb9 n LYS 949 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3hb9 n LYS 949 Cb 0.23 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3hb9 n LYS 949 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hb9 n GLY 950 N 1.45 0.67 0.02 0.72 0.00 -0.64 -1.66 105.19 105.76 3hb9 n GLY 950 Ca 0.05 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3hb9 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hb9 n GLU 951 N -2.62 0.04 -0.02 1.61 1.02 -1.02 -1.34 120.64 118.30 3hb9 n GLU 951 Ca 0.00 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.43 3hb9 n GLU 951 Cb 0.00 -1.57 -0.15 0.00 -0.02 0.00 0.00 31.44 29.70 3hb9 n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hb9 n ILE 952 N -1.64 0.24 0.00 -3.67 -0.00 -1.26 -4.84 119.36 108.19 3hb9 n ILE 952 Ca 0.04 -0.52 0.00 0.00 -0.00 0.00 0.00 62.75 62.27 3hb9 n ILE 952 Cb 0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.81 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 1.46 0.78 3.35 7.39 0.00 -0.45 -4.91 105.19 112.81 3hb9 n GLY 953 Ca -0.09 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.24 3.35 0.36 1.61 -1.52 -1.26 -4.44 119.66 116.52 3hb9 s GLN 954 Ca 0.00 -0.70 -0.27 0.00 -1.95 0.00 0.00 55.36 52.44 3hb9 s GLN 954 Cb 0.00 -2.63 -0.09 0.00 -0.22 0.00 0.00 33.01 30.07 3hb9 s GLN 954 CO 0.00 0.17 1.19 -2.14 -0.25 0.00 0.00 175.29 174.26 3hb9 s PRO 955 N 0.44 4.22 0.24 2.91 0.02 -1.26 -4.69 135.00 136.89 3hb9 s PRO 955 Ca -0.10 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.71 3hb9 s PRO 955 Cb -0.16 -2.85 0.32 0.00 0.02 0.00 0.00 34.50 31.83 3hb9 s PRO 955 CO 0.05 -0.20 1.59 0.28 -0.33 0.00 0.00 177.00 178.39 3hb9 h VAL 956 N 2.61 0.16 -0.10 3.83 2.07 -1.92 -2.32 116.25 120.59 3hb9 h VAL 956 Ca -0.48 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3hb9 h VAL 956 Cb 1.23 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hb9 h VAL 956 CO 0.64 0.00 -0.30 -1.13 0.02 0.00 0.00 177.57 176.80 3hb9 h ASN 957 N -0.02 0.43 -5.00 0.57 -0.73 -1.86 -3.50 115.58 105.47 3hb9 h ASN 957 Ca 0.37 -0.61 0.00 0.00 1.87 0.00 0.00 56.30 57.94 3hb9 h ASN 957 Cb 0.59 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.06 3hb9 h ASN 957 CO -0.84 0.96 0.00 0.61 -0.37 0.00 0.00 177.43 177.80 3hb9 n GLY 958 N 0.58 -0.15 3.87 1.57 0.00 -0.87 -5.07 105.19 105.12 3hb9 n GLY 958 Ca -0.08 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.89 3.53 -0.08 1.61 0.40 -1.26 -4.67 117.98 116.62 3hb9 s PHE 959 Ca 0.00 0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 56.45 3hb9 s PHE 959 Cb 0.00 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 3hb9 s PHE 959 CO 0.00 0.67 1.34 1.21 0.70 0.00 0.00 175.22 179.15 3hb9 s ASN 960 N -1.45 6.90 0.06 1.36 3.84 -1.26 -4.95 114.94 119.45 3hb9 s ASN 960 Ca 0.21 1.91 -0.23 0.00 0.21 0.00 0.00 52.86 54.95 3hb9 s ASN 960 Cb -0.12 -2.55 -0.16 0.00 -0.55 0.00 0.00 41.25 37.87 3hb9 s ASN 960 CO 0.11 -0.74 1.62 0.50 -2.79 0.00 0.00 177.10 175.80 3hb9 h LYS 961 N 8.14 0.03 -0.11 0.43 3.64 -1.98 0.55 116.57 127.26 3hb9 h LYS 961 Ca -0.33 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 3hb9 h LYS 961 Cb 1.15 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3hb9 h LYS 961 CO 0.93 0.15 -0.37 -0.44 -2.27 0.00 0.00 179.45 177.45 3hb9 h ASP 962 N -0.10 0.23 -0.30 4.20 3.45 -2.00 -1.31 116.42 120.60 3hb9 h ASP 962 Ca 0.01 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.23 3hb9 h ASP 962 Cb 0.13 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3hb9 h ASP 962 CO -0.00 0.59 -0.38 0.25 -1.57 0.00 0.00 179.24 178.13 3hb9 h LEU 963 N 0.19 0.85 -0.99 1.55 5.85 -1.94 -3.06 115.31 117.76 3hb9 h LEU 963 Ca 0.02 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3hb9 h LEU 963 Cb 0.75 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3hb9 h LEU 963 CO 0.06 1.18 0.65 -0.61 -0.34 0.00 0.00 178.44 179.38 3hb9 h GLN 964 N 0.54 1.25 -0.40 1.25 4.15 -0.60 -3.10 115.11 118.21 3hb9 h GLN 964 Ca 0.04 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.40 3hb9 h GLN 964 Cb 0.97 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3hb9 h GLN 964 CO 0.09 0.83 0.24 0.00 -1.93 0.00 0.00 178.83 178.06 3hb9 h ALA 965 N 1.39 0.50 0.00 3.38 0.00 -1.15 -2.72 119.26 120.66 3hb9 h ALA 965 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hb9 h ALA 965 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hb9 h ALA 965 CO -0.11 -0.09 0.00 -0.39 0.00 0.00 0.00 179.25 178.66 3hb9 h VAL 966 N 0.48 0.00 0.04 0.00 -1.51 -1.49 -2.22 116.25 111.56 3hb9 h VAL 966 Ca 0.16 -0.64 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3hb9 h VAL 966 Cb -0.00 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3hb9 h VAL 966 CO -0.07 0.00 -0.02 0.40 -1.23 0.00 0.00 177.57 176.65 3hb9 h ILE 967 N 0.00 0.10 0.00 7.19 1.08 -1.42 -3.42 117.51 121.04 3hb9 h ILE 967 Ca 0.00 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 3hb9 h ILE 967 Cb 0.68 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3hb9 h ILE 967 CO 0.00 0.03 -0.01 0.17 -0.69 0.00 0.00 178.15 177.65 3hb9 h LEU 968 N -1.01 0.00 -2.30 1.44 -0.00 -1.59 -3.46 115.31 108.40 3hb9 h LEU 968 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 3hb9 h LEU 968 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.68 3hb9 h LEU 968 CO 0.01 0.20 -1.05 1.17 -0.00 0.00 0.00 178.44 178.77 3hb9 n LYS 969 N -3.08 -3.59 0.00 0.17 0.00 -0.83 -4.51 118.16 106.32 3hb9 n LYS 969 Ca -0.00 2.76 0.00 0.00 0.00 0.00 0.00 58.31 61.06 3hb9 n LYS 969 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 35.03 31.35 3hb9 n LYS 969 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hb9 n GLY 970 N 1.98 2.61 3.79 3.14 0.00 -1.26 -5.02 105.19 110.43 3hb9 n GLY 970 Ca -0.26 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 3hb9 n GLY 970 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hb9 s GLN 971 N 0.00 4.41 0.39 1.61 -2.07 -1.26 -5.08 119.66 117.66 3hb9 s GLN 971 Ca 0.00 1.30 0.08 0.00 -1.82 0.00 0.00 55.36 54.92 3hb9 s GLN 971 Cb 0.00 -2.58 -0.06 0.00 -1.09 0.00 0.00 33.01 29.28 3hb9 s GLN 971 CO 0.00 0.12 0.06 -1.83 -1.32 0.00 0.00 175.29 172.31 3hb9 s GLU 972 N -2.45 2.06 0.04 9.60 -1.05 -1.26 -4.83 118.70 120.82 3hb9 s GLU 972 Ca 0.55 -1.91 -0.10 0.00 -0.15 0.00 0.00 54.97 53.36 3hb9 s GLU 972 Cb -0.16 -1.83 -0.05 0.00 -0.44 0.00 0.00 34.13 31.64 3hb9 s GLU 972 CO 0.21 -0.00 0.36 0.00 0.95 0.00 0.00 175.26 176.78 3hb9 s ALA 973 N -2.62 3.75 0.36 -0.84 0.00 -1.26 -4.97 121.76 116.19 3hb9 s ALA 973 Ca 0.37 -0.40 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 3hb9 s ALA 973 Cb 0.05 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 3hb9 s ALA 973 CO 0.20 0.57 1.02 -0.51 0.00 0.00 0.00 175.76 177.04 3hb9 s LEU 974 N -1.70 4.26 -0.01 0.00 1.43 -0.66 -4.98 118.68 117.02 3hb9 s LEU 974 Ca 0.30 2.00 0.17 0.00 -1.03 0.00 0.00 54.13 55.56 3hb9 s LEU 974 Cb -0.14 -4.06 -0.21 0.00 0.03 0.00 0.00 46.19 41.81 3hb9 s LEU 974 CO 0.16 -0.30 0.57 1.07 0.23 0.00 0.00 176.35 178.08 3hb9 n THR 975 N 0.30 0.00 -2.62 5.49 5.66 -1.26 -4.57 114.28 117.29 3hb9 n THR 975 Ca 0.03 -0.22 -0.22 0.00 -3.05 0.00 0.00 64.05 60.59 3hb9 n THR 975 Cb 0.49 0.65 0.04 0.00 -1.55 0.00 0.00 70.33 69.96 3hb9 n THR 975 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hb9 s ALA 976 N -2.80 3.73 0.36 1.79 0.00 -1.26 -5.01 121.76 118.57 3hb9 s ALA 976 Ca 0.01 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 3hb9 s ALA 976 Cb 0.12 -2.19 -0.11 0.00 0.00 0.00 0.00 23.12 20.94 3hb9 s ALA 976 CO 0.69 -0.77 1.42 -0.98 0.00 0.00 0.00 175.76 176.12 3hb9 s ARG 977 N -4.81 4.19 0.29 0.00 1.70 -1.26 -4.93 118.95 114.12 3hb9 s ARG 977 Ca 0.56 2.44 -0.02 0.00 -0.47 0.00 0.00 55.73 58.24 3hb9 s ARG 977 Cb -0.10 -3.00 0.43 0.00 -0.57 0.00 0.00 34.95 31.71 3hb9 s ARG 977 CO 0.40 -0.41 1.94 -1.35 -1.08 0.00 0.00 175.30 174.79 3hb9 h PRO 978 N 3.12 1.11 0.00 3.89 0.11 -1.88 -2.70 132.00 135.65 3hb9 h PRO 978 Ca -0.50 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3hb9 h PRO 978 Cb 1.23 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hb9 h PRO 978 CO 0.65 0.74 0.00 0.78 -0.21 0.00 0.00 178.00 179.95 3hb9 h GLY 979 N 1.15 0.00 0.76 -0.55 0.00 -1.92 -3.36 103.07 99.15 3hb9 h GLY 979 Ca 0.35 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.72 3hb9 h GLY 979 CO -0.10 0.00 0.31 -2.09 0.00 0.00 0.00 176.54 174.67 3hb9 h GLU 980 N 0.00 0.59 -0.32 4.80 4.81 -1.76 -3.16 114.58 119.53 3hb9 h GLU 980 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hb9 h GLU 980 Cb 0.71 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hb9 h GLU 980 CO 0.00 0.39 0.00 0.66 -0.73 0.00 0.00 179.01 179.33 3hb9 n TYR 981 N -4.82 1.15 -3.18 0.92 4.02 -1.26 -4.90 117.16 109.10 3hb9 n TYR 981 Ca 0.06 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.90 56.67 3hb9 n TYR 981 Cb 0.13 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 39.03 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 -2.84 4.48 0.23 7.72 1.43 -1.19 -5.03 118.68 123.47 3hb9 s LEU 982 Ca 0.45 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 3hb9 s LEU 982 Cb 0.36 -2.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 3hb9 s LEU 982 CO 0.10 0.16 1.46 -1.83 0.23 0.00 0.00 176.35 176.47 3hb9 s GLU 983 N -0.59 4.26 0.15 1.70 -1.05 -1.26 -4.70 118.70 117.21 3hb9 s GLU 983 Ca 0.32 2.31 -0.34 0.00 -0.15 0.00 0.00 54.97 57.11 3hb9 s GLU 983 Cb -0.19 -3.12 -0.13 0.00 -0.44 0.00 0.00 34.13 30.24 3hb9 s GLU 983 CO 0.19 -0.46 1.62 -2.30 0.95 0.00 0.00 175.26 175.26 3hb9 n PRO 984 N 2.62 2.25 -1.89 -4.83 -0.02 -1.26 -4.78 135.00 127.08 3hb9 n PRO 984 Ca 0.08 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3hb9 n PRO 984 Cb 0.40 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 3hb9 n PRO 984 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hb9 s VAL 985 N 1.15 2.81 -0.71 -1.45 1.01 -1.26 -4.94 120.40 117.00 3hb9 s VAL 985 Ca 0.79 0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.90 3hb9 s VAL 985 Cb -0.65 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hb9 s VAL 985 CO 0.38 0.01 1.21 -0.62 0.00 0.00 0.00 175.10 176.08 3hb9 s ASP 986 N 2.05 6.18 0.31 3.32 -1.08 -1.26 -4.87 116.67 121.32 3hb9 s ASP 986 Ca 0.74 -0.52 0.26 0.00 -0.52 0.00 0.00 52.55 52.50 3hb9 s ASP 986 Cb -0.42 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.50 3hb9 s ASP 986 CO 0.33 -1.74 1.77 -0.26 0.52 0.00 0.00 175.17 175.79 3hb9 h PHE 987 N 9.91 0.00 -0.05 -5.34 -1.00 -2.00 -2.97 116.94 115.49 3hb9 h PHE 987 Ca -0.28 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.40 3hb9 h PHE 987 Cb 1.05 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.62 3hb9 h PHE 987 CO 1.09 0.00 -0.37 0.93 -1.61 0.00 0.00 178.31 178.35 3hb9 h GLU 988 N 0.00 0.34 0.00 1.51 4.39 -2.00 -2.12 114.58 116.71 3hb9 h GLU 988 Ca 0.00 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 3hb9 h GLU 988 Cb 0.49 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3hb9 h GLU 988 CO 0.00 0.96 -0.19 0.87 -1.16 0.00 0.00 179.01 179.48 3hb9 h LYS 989 N -0.17 0.00 -0.05 2.33 1.57 -1.95 -2.28 116.57 116.02 3hb9 h LYS 989 Ca -0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 3hb9 h LYS 989 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 3hb9 h LYS 989 CO 0.08 0.19 -0.92 0.28 -0.57 0.00 0.00 179.45 178.51 3hb9 h VAL 990 N 0.00 1.32 -0.62 0.50 2.07 -1.55 -3.15 116.25 114.82 3hb9 h VAL 990 Ca -0.00 -2.20 0.06 0.00 0.82 0.00 0.00 66.70 65.38 3hb9 h VAL 990 Cb 0.35 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 3hb9 h VAL 990 CO 0.02 0.68 0.31 -0.09 0.02 0.00 0.00 177.57 178.52 3hb9 h ARG 991 N 0.39 0.56 -0.32 1.57 9.65 -0.81 -2.27 114.38 123.15 3hb9 h ARG 991 Ca -0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3hb9 h ARG 991 Cb 1.55 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.99 3hb9 h ARG 991 CO 0.18 0.37 0.18 0.93 2.80 0.00 0.00 179.97 184.43 3hb9 h GLU 992 N 0.58 0.44 -0.56 0.20 5.08 -1.55 -2.31 114.58 116.46 3hb9 h GLU 992 Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3hb9 h GLU 992 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3hb9 h GLU 992 CO -0.21 0.35 0.26 1.25 -1.00 0.00 0.00 179.01 179.67 3hb9 h LEU 993 N 0.40 0.74 -0.38 1.33 5.85 -1.42 -0.23 115.31 121.60 3hb9 h LEU 993 Ca 0.11 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 3hb9 h LEU 993 Cb 0.03 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3hb9 h LEU 993 CO -0.02 0.67 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.20 3hb9 h LEU 994 N 0.75 0.94 -0.26 2.25 3.38 -1.45 -1.14 115.31 119.78 3hb9 h LEU 994 Ca 0.19 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hb9 h LEU 994 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hb9 h LEU 994 CO -0.02 1.25 0.00 -0.62 0.09 0.00 0.00 178.44 179.14 3hb9 n GLU 995 N -4.02 0.09 -0.05 1.13 1.02 -0.87 -1.03 120.64 116.90 3hb9 n GLU 995 Ca -0.03 0.29 -0.16 0.00 -0.02 0.00 0.00 57.16 57.24 3hb9 n GLU 995 Cb 0.59 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 3hb9 n GLU 995 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hb9 n GLU 996 N -1.83 0.69 -0.03 3.49 -0.58 -0.12 -2.54 120.64 119.72 3hb9 n GLU 996 Ca 0.03 0.20 -0.15 0.00 -0.42 0.00 0.00 57.16 56.82 3hb9 n GLU 996 Cb 0.22 -1.65 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 3hb9 n GLU 996 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3hb9 h GLU 997 N 0.03 0.36 0.00 3.49 5.08 -1.01 -3.34 114.58 119.18 3hb9 h GLU 997 Ca -0.45 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.53 3hb9 h GLU 997 Cb 2.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.32 3hb9 h GLU 997 CO 0.03 0.91 -1.41 1.04 -1.00 0.00 0.00 179.01 178.58 3hb9 n GLN 998 N -4.42 0.62 -2.98 2.33 6.02 -0.20 -5.04 117.38 113.71 3hb9 n GLN 998 Ca -0.08 0.12 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 3hb9 n GLN 998 Cb 0.50 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 30.00 3hb9 n GLN 998 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hb9 n GLN 999 N -2.73 -2.02 0.00 -1.09 6.02 -1.05 -4.89 117.38 111.62 3hb9 n GLN 999 Ca -0.07 1.86 0.00 0.00 -0.01 0.00 0.00 57.00 58.78 3hb9 n GLN 999 Cb 0.73 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.57 3hb9 n GLN 999 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hb9 n GLY 1000N -0.78 0.43 3.69 1.08 0.00 -1.21 -5.04 105.19 103.36 3hb9 n GLY 1000Ca 0.06 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3hb9 n GLY 1000CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hb9 s PRO 1001N 0.00 4.41 -0.02 1.61 0.04 -1.26 -4.80 135.00 134.98 3hb9 s PRO 1001Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 3hb9 s PRO 1001Cb 0.00 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 31.03 3hb9 s PRO 1001CO 0.00 -0.34 0.02 0.08 0.04 0.00 0.00 177.00 176.80 3hb9 s VAL 1002N 1.98 0.03 0.40 -0.36 1.01 -1.26 -4.99 120.40 117.22 3hb9 s VAL 1002Ca 0.51 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.72 3hb9 s VAL 1002Cb -0.21 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3hb9 s VAL 1002CO 0.20 0.10 0.55 0.42 0.00 0.00 0.00 175.10 176.38 3hb9 s THR 1003N 0.98 3.26 0.36 3.92 -4.23 -1.26 -4.99 115.64 113.68 3hb9 s THR 1003Ca -0.09 -0.99 0.26 0.00 -1.18 0.00 0.00 61.69 59.70 3hb9 s THR 1003Cb -0.12 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 70.88 3hb9 s THR 1003CO -0.02 -0.04 2.01 -0.33 -0.54 0.00 0.00 174.62 175.70 3hb9 h GLU 1004N 0.69 0.00 -0.34 3.99 4.39 -2.02 -2.05 114.58 119.24 3hb9 h GLU 1004Ca -0.42 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.18 3hb9 h GLU 1004Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3hb9 h GLU 1004CO 0.47 0.15 -0.23 1.96 -1.16 0.00 0.00 179.01 180.21 3hb9 h GLN 1005N 0.00 0.67 -0.31 2.33 4.20 -1.98 -3.03 115.11 117.00 3hb9 h GLN 1005Ca -0.00 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 3hb9 h GLN 1005Cb 0.43 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3hb9 h GLN 1005CO 0.02 0.84 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.55 3hb9 h ASP 1006N 0.59 0.46 0.25 1.46 3.32 -1.76 -2.51 116.42 118.24 3hb9 h ASP 1006Ca 0.08 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3hb9 h ASP 1006Cb 0.71 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hb9 h ASP 1006CO 0.05 0.56 -0.12 0.40 -1.72 0.00 0.00 179.24 178.41 3hb9 h ILE 1007N 0.47 0.68 -0.59 0.35 2.04 -1.40 -1.41 117.51 117.65 3hb9 h ILE 1007Ca 0.10 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3hb9 h ILE 1007Cb 0.36 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3hb9 h ILE 1007CO 0.01 0.15 0.20 0.16 0.00 0.00 0.00 178.15 178.67 3hb9 h ILE 1008N -0.86 1.22 -0.63 -0.67 3.07 -1.64 -1.03 117.51 116.98 3hb9 h ILE 1008Ca -0.03 -0.75 0.06 0.00 1.55 0.00 0.00 64.86 65.69 3hb9 h ILE 1008Cb 0.51 0.56 -0.05 0.00 -0.27 0.00 0.00 36.82 37.57 3hb9 h ILE 1008CO 0.06 0.29 0.34 0.28 -1.05 0.00 0.00 178.15 178.06 3hb9 h SER 1009N 0.85 0.50 -0.03 2.16 0.02 -1.45 0.21 113.55 115.81 3hb9 h SER 1009Ca 0.20 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3hb9 h SER 1009Cb 0.23 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hb9 h SER 1009CO -0.01 0.32 0.01 0.22 -1.14 0.00 0.00 176.83 176.23 3hb9 h TYR 1010N 0.63 0.04 -0.49 3.45 3.20 -0.82 -1.79 116.97 121.19 3hb9 h TYR 1010Ca 0.28 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 3hb9 h TYR 1010Cb 0.18 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3hb9 h TYR 1010CO -0.09 0.27 0.30 0.28 -1.64 0.00 0.00 178.16 177.28 3hb9 h VAL 1011N -0.19 1.06 -0.44 1.81 2.07 -0.86 -0.05 116.25 119.65 3hb9 h VAL 1011Ca 0.01 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 3hb9 h VAL 1011Cb 0.24 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3hb9 h VAL 1011CO 0.00 0.11 -0.21 -0.07 0.02 0.00 0.00 177.57 177.42 3hb9 h LEU 1012N 0.60 0.89 -6.36 2.57 3.38 -0.62 -3.38 115.31 112.40 3hb9 h LEU 1012Ca 0.20 -0.32 -0.57 0.00 0.09 0.00 0.00 57.88 57.27 3hb9 h LEU 1012Cb 0.01 -0.25 -0.37 0.00 0.09 0.00 0.00 40.66 40.14 3hb9 h LEU 1012CO -0.08 1.07 -0.94 -0.31 0.09 0.00 0.00 178.44 178.26 3hb9 s TYR 1013N -4.66 0.94 0.08 1.13 1.51 -0.68 -4.52 117.35 111.15 3hb9 s TYR 1013Ca -0.10 -2.16 -0.35 0.00 -1.01 0.00 0.00 57.07 53.45 3hb9 s TYR 1013Cb 0.13 -0.87 -0.17 0.00 -0.11 0.00 0.00 41.96 40.94 3hb9 s TYR 1013CO 0.85 -0.84 1.54 -1.35 -1.11 0.00 0.00 175.55 174.64 3hb9 h PRO 1014N 5.83 -0.93 -0.79 -1.71 0.11 -1.20 -0.71 132.00 132.60 3hb9 h PRO 1014Ca 0.23 0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 3hb9 h PRO 1014Cb 0.93 0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3hb9 h PRO 1014CO 0.34 -0.62 0.49 0.87 -0.21 0.00 0.00 178.00 178.87 3hb9 h LYS 1015N -0.97 1.07 -0.09 1.05 1.57 -1.96 -2.62 116.57 114.62 3hb9 h LYS 1015Ca -0.06 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3hb9 h LYS 1015Cb 0.84 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3hb9 h LYS 1015CO -0.07 0.75 -0.19 0.28 -0.57 0.00 0.00 179.45 179.65 3hb9 h VAL 1016N 1.08 1.40 -0.18 0.50 2.07 -1.94 -2.11 116.25 117.08 3hb9 h VAL 1016Ca 0.29 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.36 3hb9 h VAL 1016Cb -0.06 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3hb9 h VAL 1016CO -0.06 0.42 -0.09 0.22 0.02 0.00 0.00 177.57 178.09 3hb9 h TYR 1017N -0.18 -0.22 -0.33 1.57 3.20 -1.08 0.30 116.97 120.22 3hb9 h TYR 1017Ca 0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3hb9 h TYR 1017Cb 0.78 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 3hb9 h TYR 1017CO 0.11 -0.15 0.01 0.93 -1.64 0.00 0.00 178.16 177.42 3hb9 h GLU 1018N -0.08 0.10 -0.22 1.82 4.39 -1.49 -1.75 114.58 117.35 3hb9 h GLU 1018Ca 0.10 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hb9 h GLU 1018Cb 0.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hb9 h GLU 1018CO -0.23 0.06 -0.04 1.96 -1.16 0.00 0.00 179.01 179.61 3hb9 h GLN 1019N 0.10 0.33 -0.55 2.33 4.20 -0.99 -1.54 115.11 119.00 3hb9 h GLN 1019Ca 0.16 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3hb9 h GLN 1019Cb 0.21 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hb9 h GLN 1019CO -0.26 0.40 0.03 -0.92 -0.67 0.00 0.00 178.83 177.41 3hb9 h TYR 1020N 0.32 0.97 -0.21 2.96 3.20 -0.30 -2.50 116.97 121.41 3hb9 h TYR 1020Ca 0.07 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 3hb9 h TYR 1020Cb 0.29 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hb9 h TYR 1020CO 0.01 0.86 0.05 0.82 -1.64 0.00 0.00 178.16 178.26 3hb9 h ILE 1021N 0.85 1.20 -0.78 1.81 1.08 -0.46 -0.40 117.51 120.81 3hb9 h ILE 1021Ca 0.16 -0.65 0.11 0.00 -0.39 0.00 0.00 64.86 64.10 3hb9 h ILE 1021Cb 0.46 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 35.37 3hb9 h ILE 1021CO 0.02 0.20 0.40 1.56 -0.69 0.00 0.00 178.15 179.64 3hb9 h GLN 1022N 0.16 0.62 -0.33 2.37 4.20 -1.31 0.26 115.11 121.07 3hb9 h GLN 1022Ca 0.07 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3hb9 h GLN 1022Cb 0.26 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hb9 h GLN 1022CO 0.00 0.41 -0.14 1.15 -0.67 0.00 0.00 178.83 179.58 3hb9 h THR 1023N 0.64 1.29 -0.62 -0.54 2.02 -1.31 -2.84 112.91 111.54 3hb9 h THR 1023Ca 0.40 -1.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 3hb9 h THR 1023Cb 0.47 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3hb9 h THR 1023CO -0.30 0.40 0.16 -0.09 0.37 0.00 0.00 175.52 176.06 3hb9 h ARG 1024N 0.46 0.98 -0.70 6.66 2.43 -0.40 -0.07 114.38 123.73 3hb9 h ARG 1024Ca 0.08 -0.23 0.16 0.00 -0.81 0.00 0.00 59.98 59.18 3hb9 h ARG 1024Cb 0.66 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3hb9 h ARG 1024CO 0.04 0.89 0.48 -0.91 -1.51 0.00 0.00 179.97 178.97 3hb9 h ASN 1025N 0.90 0.24 0.00 -3.80 -0.26 -0.49 -0.63 115.58 111.54 3hb9 h ASN 1025Ca 0.20 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 3hb9 h ASN 1025Cb 0.34 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3hb9 h ASN 1025CO 0.00 0.12 -0.92 -0.61 -1.06 0.00 0.00 177.43 174.96 3hb9 h GLN 1026N 0.26 0.00 0.00 0.81 4.15 -1.09 -3.43 115.11 115.81 3hb9 h GLN 1026Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 3hb9 h GLN 1026Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3hb9 h GLN 1026CO -0.08 0.70 -0.97 0.66 -1.93 0.00 0.00 178.83 177.20 3hb9 n TYR 1027N -4.51 0.00 -3.17 3.99 0.53 -0.12 -4.75 117.16 109.13 3hb9 n TYR 1027Ca -0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.65 3hb9 n TYR 1027Cb 0.53 -0.12 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 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 1.50 -0.74 3.55 2.72 0.00 -0.25 -4.16 105.19 107.82 3hb9 n GLY 1028Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 5.98 0.02 1.61 3.04 -1.26 -4.60 114.94 115.73 3hb9 s ASN 1029Ca 0.00 -0.18 0.28 0.00 0.04 0.00 0.00 52.86 53.00 3hb9 s ASN 1029Cb 0.00 -2.55 1.11 0.00 -1.54 0.00 0.00 41.25 38.27 3hb9 s ASN 1029CO 0.00 -1.92 1.85 0.18 -3.04 0.00 0.00 177.10 174.17 3hb9 n LEU 1030N 10.06 0.13 0.25 3.21 4.77 -1.26 -3.69 117.00 130.47 3hb9 n LEU 1030Ca 0.08 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 3hb9 n LEU 1030Cb 0.50 -0.45 0.59 0.00 -2.33 0.00 0.00 43.42 41.72 3hb9 n LEU 1030CO 0.71 0.00 1.00 0.28 -1.33 0.00 0.00 177.39 178.05 3hb9 h SER 1031N 0.00 0.00 0.99 -1.43 0.02 -1.89 -3.09 113.55 108.15 3hb9 h SER 1031Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3hb9 h SER 1031Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3hb9 h SER 1031CO 0.00 0.08 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.12 3hb9 h LEU 1032N 0.00 0.00-10.01 5.07 3.38 -1.93 -3.36 115.31 108.46 3hb9 h LEU 1032Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3hb9 h LEU 1032Cb 0.14 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.00 3hb9 h LEU 1032CO 0.01 0.58 0.60 -0.76 0.09 0.00 0.00 178.44 178.96 3hb9 s LEU 1033N -6.95 3.99 0.47 1.67 1.43 -1.17 -4.60 118.68 113.52 3hb9 s LEU 1033Ca 0.01 2.68 -0.21 0.00 -1.03 0.00 0.00 54.13 55.57 3hb9 s LEU 1033Cb 0.10 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.10 3hb9 s LEU 1033CO 0.74 -1.25 1.07 1.51 0.23 0.00 0.00 176.35 178.66 3hb9 s ASP 1034N -0.92 6.30 0.15 2.29 1.47 -1.26 -4.83 116.67 119.86 3hb9 s ASP 1034Ca 0.66 2.05 -0.20 0.00 1.18 0.00 0.00 52.55 56.23 3hb9 s ASP 1034Cb -0.38 -2.58 0.03 0.00 -0.34 0.00 0.00 42.92 39.66 3hb9 s ASP 1034CO 0.47 -0.82 1.66 0.74 0.68 0.00 0.00 175.17 177.90 3hb9 h THR 1035N 1.68 0.55 -0.55 2.11 2.02 -1.95 0.18 112.91 116.95 3hb9 h THR 1035Ca -0.49 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.74 3hb9 h THR 1035Cb 1.23 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3hb9 h THR 1035CO 0.59 0.00 0.37 -0.65 0.37 0.00 0.00 175.52 176.20 3hb9 h PRO 1036N -0.13 0.51 -0.03 6.66 0.11 -1.93 0.38 132.00 137.58 3hb9 h PRO 1036Ca 0.14 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.03 3hb9 h PRO 1036Cb 0.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3hb9 h PRO 1036CO -0.34 0.34 -0.81 1.15 -0.21 0.00 0.00 178.00 178.13 3hb9 h THR 1037N 0.53 1.44 -0.28 -1.15 2.02 -1.52 -2.21 112.91 111.73 3hb9 h THR 1037Ca 0.24 -2.39 -0.05 0.00 0.77 0.00 0.00 66.41 64.98 3hb9 h THR 1037Cb 0.26 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3hb9 h THR 1037CO -0.07 0.70 -0.00 0.15 0.37 0.00 0.00 175.52 176.68 3hb9 h PHE 1038N 0.17 0.55 0.00 3.16 3.57 0.82 -0.02 116.94 125.19 3hb9 h PHE 1038Ca -0.04 -0.10 -0.16 0.00 3.53 0.00 0.00 57.97 61.21 3hb9 h PHE 1038Cb 1.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3hb9 h PHE 1038CO 0.04 0.65 -0.94 0.74 -2.23 0.00 0.00 178.31 176.56 3hb9 h PHE 1039N 0.29 0.00 0.00 0.41 0.05 -1.08 -3.41 116.94 113.20 3hb9 h PHE 1039Ca 0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.87 3hb9 h PHE 1039Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.38 3hb9 h PHE 1039CO 0.04 0.65 -0.96 1.19 -0.18 0.00 0.00 178.31 179.04 3hb9 n PHE 1040N -3.14 0.00 0.00 -0.55 3.01 -0.83 -4.45 117.46 111.50 3hb9 n PHE 1040Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3hb9 n PHE 1040Cb 0.83 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 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 2.44 1.34 3.20 1.37 0.00 -0.02 -4.19 105.19 109.33 3hb9 n GLY 1041Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 3hb9 n GLY 1041CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hb9 s MET 1042N 0.00 0.56 0.42 1.61 1.75 -1.26 -4.31 119.30 118.07 3hb9 s MET 1042Ca 0.00 -0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.39 3hb9 s MET 1042Cb 0.00 0.25 0.00 0.00 2.84 0.00 0.00 34.83 37.92 3hb9 s MET 1042CO 0.00 -0.14 0.61 -0.98 -0.65 0.00 0.00 175.02 173.86 3hb9 s ARG 1043N -1.00 2.95 0.22 4.11 1.70 -1.26 -4.92 118.95 120.76 3hb9 s ARG 1043Ca -0.11 -0.84 -0.31 0.00 -0.47 0.00 0.00 55.73 54.01 3hb9 s ARG 1043Cb -0.05 -2.67 -0.10 0.00 -0.57 0.00 0.00 34.95 31.56 3hb9 s ARG 1043CO 0.03 -0.24 1.48 -0.80 -1.08 0.00 0.00 175.30 174.69 3hb9 s ASN 1044N -4.26 6.63 -0.88 -2.89 0.02 -1.26 -2.50 114.94 109.80 3hb9 s ASN 1044Ca 0.50 2.65 0.00 0.00 -1.02 0.00 0.00 52.86 54.99 3hb9 s ASN 1044Cb -0.10 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3hb9 s ASN 1044CO 0.35 -0.75 0.00 0.61 0.02 0.00 0.00 177.10 177.33 3hb9 n GLY 1045N 2.72 0.97 3.86 0.66 0.00 0.27 -5.01 105.19 108.65 3hb9 n GLY 1045Ca 0.09 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.82 3.77 -0.13 1.61 2.12 -1.04 -4.92 118.70 117.29 3hb9 s GLU 1046Ca 0.00 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.54 3hb9 s GLU 1046Cb 0.00 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 3hb9 s GLU 1046CO 0.00 0.62 -0.16 0.99 -0.54 0.00 0.00 175.26 176.17 3hb9 s THR 1047N -1.28 2.71 -0.05 -1.70 2.01 -1.26 -1.99 115.64 114.08 3hb9 s THR 1047Ca 0.29 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3hb9 s THR 1047Cb -0.15 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 3hb9 s THR 1047CO 0.16 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.72 3hb9 s VAL 1048N 0.50 1.73 -0.10 3.82 1.01 -0.21 -4.98 120.40 122.16 3hb9 s VAL 1048Ca -0.11 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 3hb9 s VAL 1048Cb -0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3hb9 s VAL 1048CO 0.05 0.49 0.18 -1.61 0.00 0.00 0.00 175.10 174.20 3hb9 s GLU 1049N -0.11 3.50 -0.23 2.72 2.02 -1.26 -1.86 118.70 123.48 3hb9 s GLU 1049Ca -0.02 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 3hb9 s GLU 1049Cb -0.12 -3.18 0.07 0.00 0.10 0.00 0.00 34.13 30.99 3hb9 s GLU 1049CO 0.02 0.76 0.02 0.42 0.02 0.00 0.00 175.26 176.50 3hb9 s ILE 1050N -1.06 0.95 -0.46 -1.63 1.01 -0.46 -4.80 121.20 114.75 3hb9 s ILE 1050Ca 0.17 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 3hb9 s ILE 1050Cb -0.13 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3hb9 s ILE 1050CO 0.06 -0.25 1.68 -0.70 0.00 0.00 0.00 174.94 175.73 3hb9 s GLU 1051N 1.65 3.18 0.05 2.79 2.12 -1.26 -0.92 118.70 126.31 3hb9 s GLU 1051Ca -0.01 0.95 -0.08 0.00 0.36 0.00 0.00 54.97 56.19 3hb9 s GLU 1051Cb -0.18 -4.21 -0.31 0.00 0.26 0.00 0.00 34.13 29.70 3hb9 s GLU 1051CO -0.10 -2.06 1.06 0.82 -0.54 0.00 0.00 175.26 174.44 3hb9 h ILE 1052N 6.69 1.39 -2.09 -3.70 1.08 -1.13 -3.48 117.51 116.27 3hb9 h ILE 1052Ca -0.29 -2.91 -0.00 0.00 -0.39 0.00 0.00 64.86 61.27 3hb9 h ILE 1052Cb 1.14 2.96 0.00 0.00 -3.07 0.00 0.00 36.82 37.86 3hb9 h ILE 1052CO 1.12 0.86 0.04 -0.67 -0.69 0.00 0.00 178.15 178.80 3hb9 n ASP 1053N -3.59 -0.27 -4.58 1.72 4.64 -0.59 -4.99 116.55 108.88 3hb9 n ASP 1053Ca -0.12 -1.18 -0.42 0.00 -1.38 0.00 0.00 54.79 51.68 3hb9 n ASP 1053Cb 1.06 0.45 -0.03 0.00 -1.04 0.00 0.00 41.12 41.56 3hb9 n ASP 1053CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3hb9 s LYS 1054N -2.01 3.31 0.00 -0.67 2.20 -1.26 -2.91 119.74 118.40 3hb9 s LYS 1054Ca 0.02 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 3hb9 s LYS 1054Cb -0.01 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3hb9 s LYS 1054CO 0.01 -1.91 0.00 0.41 -0.36 0.00 0.00 175.35 173.50 3hb9 n GLY 1055N 5.28 0.87 3.38 5.54 0.00 -1.26 -5.03 105.19 113.97 3hb9 n GLY 1055Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.18 3.43 -0.07 1.61 1.02 -1.15 -5.09 119.74 119.31 3hb9 s LYS 1056Ca 0.00 -0.65 -0.21 0.00 0.02 0.00 0.00 55.97 55.14 3hb9 s LYS 1056Cb 0.00 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 3hb9 s LYS 1056CO 0.00 0.13 0.48 -0.98 -0.92 0.00 0.00 175.35 174.06 3hb9 s ARG 1057N 0.58 0.77 -0.06 1.68 1.70 -1.26 -0.47 118.95 121.88 3hb9 s ARG 1057Ca -0.06 0.18 -0.20 0.00 -0.47 0.00 0.00 55.73 55.19 3hb9 s ARG 1057Cb -0.15 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3hb9 s ARG 1057CO 0.03 -0.20 0.55 -0.51 -1.08 0.00 0.00 175.30 174.09 3hb9 s LEU 1058N -0.86 4.35 -0.26 -1.89 1.43 -0.10 -4.89 118.68 116.46 3hb9 s LEU 1058Ca -0.09 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3hb9 s LEU 1058Cb -0.03 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.38 3hb9 s LEU 1058CO 0.05 0.04 -0.02 -0.63 0.23 0.00 0.00 176.35 176.02 3hb9 s ILE 1059N 0.25 3.24 -0.08 -0.59 -1.09 -1.26 -1.36 121.20 120.31 3hb9 s ILE 1059Ca 0.29 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.89 3hb9 s ILE 1059Cb -0.17 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 3hb9 s ILE 1059CO 0.14 0.19 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.17 3hb9 s ILE 1060N 1.39 2.12 -0.12 2.92 1.01 -0.78 -2.10 121.20 125.64 3hb9 s ILE 1060Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3hb9 s ILE 1060Cb -0.17 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.52 3hb9 s ILE 1060CO -0.02 0.56 -0.20 -0.75 0.00 0.00 0.00 174.94 174.53 3hb9 s LYS 1061N 0.08 2.77 -0.42 2.79 2.20 0.75 -1.05 119.74 126.86 3hb9 s LYS 1061Ca -0.11 -0.77 -0.18 0.00 -0.36 0.00 0.00 55.97 54.56 3hb9 s LYS 1061Cb -0.16 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 3hb9 s LYS 1061CO 0.06 0.02 0.48 -1.17 -0.36 0.00 0.00 175.35 174.38 3hb9 s LEU 1062N 0.74 4.76 0.00 5.43 0.20 -0.84 -0.72 118.68 128.26 3hb9 s LEU 1062Ca -0.10 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.15 3hb9 s LEU 1062Cb -0.16 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.14 3hb9 s LEU 1062CO 0.01 -0.61 0.05 -0.62 -0.29 0.00 0.00 176.35 174.89 3hb9 n GLU 1063N 5.73 0.00 -4.11 1.98 1.02 -0.16 0.96 120.64 126.06 3hb9 n GLU 1063Ca -0.06 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3hb9 n GLU 1063Cb 0.48 -0.81 -0.09 0.00 -0.02 0.00 0.00 31.44 30.99 3hb9 n GLU 1063CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hb9 s THR 1064N -0.66 0.05 -0.07 2.62 -4.23 -1.25 -3.45 115.64 108.64 3hb9 s THR 1064Ca 0.00 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3hb9 s THR 1064Cb 0.00 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 3hb9 s THR 1064CO 0.00 -0.22 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.06 3hb9 s ILE 1065N -4.07 2.78 0.86 2.99 1.01 -1.26 -1.19 121.20 122.32 3hb9 s ILE 1065Ca 0.28 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 3hb9 s ILE 1065Cb 0.06 -2.09 0.13 0.00 0.01 0.00 0.00 42.46 40.56 3hb9 s ILE 1065CO 0.06 0.57 1.22 -0.94 0.00 0.00 0.00 174.94 175.84 3hb9 s SER 1066N -0.28 3.97 0.49 3.58 1.04 0.54 -4.95 113.70 118.10 3hb9 s SER 1066Ca 0.01 0.53 -0.20 0.00 0.48 0.00 0.00 55.95 56.77 3hb9 s SER 1066Cb -0.13 -0.85 -0.08 0.00 0.10 0.00 0.00 66.02 65.06 3hb9 s SER 1066CO 0.03 -2.21 1.03 -1.61 0.98 0.00 0.00 173.24 171.46 3hb9 s GLU 1067N -5.67 3.78 0.34 4.02 0.41 -1.26 -4.43 118.70 115.89 3hb9 s GLU 1067Ca 0.67 1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 56.26 3hb9 s GLU 1067Cb -0.08 -2.09 -0.11 0.00 -1.78 0.00 0.00 34.13 30.07 3hb9 s GLU 1067CO 0.50 -0.44 1.49 -2.14 -0.49 0.00 0.00 175.26 174.18 3hb9 s PRO 1068N -3.35 4.15 0.00 0.39 0.02 -1.26 -4.57 135.00 130.38 3hb9 s PRO 1068Ca 0.66 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.20 3hb9 s PRO 1068Cb -0.16 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3hb9 s PRO 1068CO 0.22 -0.51 0.00 -0.40 -0.33 0.00 0.00 177.00 175.97 3hb9 n ASP 1069N 1.01 -0.03 -0.17 2.53 3.85 0.01 -4.81 116.55 118.93 3hb9 n ASP 1069Ca 0.03 -0.38 -0.03 0.00 -0.71 0.00 0.00 54.79 53.70 3hb9 n ASP 1069Cb 0.39 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.33 3hb9 n ASP 1069CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3hb9 h GLU 1070N 0.00 0.93 0.00 0.11 3.07 -1.95 -2.52 114.58 114.21 3hb9 h GLU 1070Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3hb9 h GLU 1070Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3hb9 h GLU 1070CO 0.00 0.79 0.00 -0.91 -1.40 0.00 0.00 179.01 177.49 3hb9 h ASN 1071N 0.90 0.00 0.00 1.42 4.21 -2.02 -3.46 115.58 116.63 3hb9 h ASN 1071Ca 0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3hb9 h ASN 1071Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3hb9 h ASN 1071CO -0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.74 3hb9 n GLY 1072N 0.75 1.41 3.53 2.83 0.00 -0.95 -5.04 105.19 107.71 3hb9 n GLY 1072Ca 0.03 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.15 4.90 0.00 1.61 0.01 -1.26 -2.21 114.94 115.84 3hb9 s ASN 1073Ca 0.00 -0.09 -0.02 0.00 -0.71 0.00 0.00 52.86 52.05 3hb9 s ASN 1073Cb 0.00 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 3hb9 s ASN 1073CO 0.00 0.19 0.16 -0.13 -1.51 0.00 0.00 177.10 175.81 3hb9 s ARG 1074N 0.24 3.34 -0.33 -0.60 0.52 -0.20 -0.81 118.95 121.11 3hb9 s ARG 1074Ca -0.02 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 54.70 3hb9 s ARG 1074Cb -0.14 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 3hb9 s ARG 1074CO 0.03 0.66 0.18 0.99 0.02 0.00 0.00 175.30 177.17 3hb9 s THR 1075N -1.33 4.72 -0.24 0.02 2.01 -1.26 -1.58 115.64 117.98 3hb9 s THR 1075Ca 0.28 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 3hb9 s THR 1075Cb -0.13 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3hb9 s THR 1075CO 0.19 -0.01 0.53 -0.63 -0.69 0.00 0.00 174.62 174.01 3hb9 s ILE 1076N 1.62 5.07 -0.36 1.82 1.01 -0.20 -0.34 121.20 129.82 3hb9 s ILE 1076Ca 0.04 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.41 3hb9 s ILE 1076Cb -0.18 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3hb9 s ILE 1076CO 0.07 0.10 0.63 -0.31 0.00 0.00 0.00 174.94 175.44 3hb9 s TYR 1077N 2.16 3.15 0.27 3.97 1.51 -0.33 -2.21 117.35 125.86 3hb9 s TYR 1077Ca 0.22 0.32 0.09 0.00 -1.01 0.00 0.00 57.07 56.69 3hb9 s TYR 1077Cb -0.16 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 3hb9 s TYR 1077CO 0.09 -0.64 0.05 0.71 -1.11 0.00 0.00 175.55 174.65 3hb9 s TYR 1078N 2.70 2.79 -0.13 2.71 4.12 0.11 -0.98 117.35 128.68 3hb9 s TYR 1078Ca 0.24 -0.20 -0.01 0.00 0.02 0.00 0.00 57.07 57.12 3hb9 s TYR 1078Cb -0.14 -1.27 0.03 0.00 -1.52 0.00 0.00 41.96 39.06 3hb9 s TYR 1078CO 0.15 0.58 -0.04 0.00 0.02 0.00 0.00 175.55 176.26 3hb9 s ALA 1079N -2.29 1.19 -0.10 3.71 0.00 0.11 -1.59 121.76 122.80 3hb9 s ALA 1079Ca 0.32 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 3hb9 s ALA 1079Cb -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3hb9 s ALA 1079CO 0.21 -0.61 0.00 1.41 0.00 0.00 0.00 175.76 176.78 3hb9 s MET 1080N 1.76 0.68 -1.42 0.00 0.00 0.35 -0.18 119.30 120.50 3hb9 s MET 1080Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 55.69 55.63 3hb9 s MET 1080Cb -0.14 -1.24 0.04 0.00 0.00 0.00 0.00 34.83 33.50 3hb9 s MET 1080CO -0.07 -0.37 0.84 0.09 0.00 0.00 0.00 175.02 175.51 3hb9 n ASN 1081N 5.12 -2.98 -1.39 1.11 5.03 -0.89 -1.72 115.26 119.53 3hb9 n ASN 1081Ca -0.08 -0.80 -0.12 0.00 0.87 0.00 0.00 54.58 54.45 3hb9 n ASN 1081Cb 0.49 -3.95 -0.01 0.00 -1.02 0.00 0.00 39.78 35.30 3hb9 n ASN 1081CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hb9 n GLY 1082N -1.66 -0.07 2.80 7.41 0.00 -1.26 -5.02 105.19 107.40 3hb9 n GLY 1082Ca -0.13 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 3hb9 n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hb9 s GLN 1083N -4.54 0.36 0.21 1.61 2.00 -0.70 -5.13 119.66 113.47 3hb9 s GLN 1083Ca 0.00 0.10 -0.30 0.00 -2.00 0.00 0.00 55.36 53.16 3hb9 s GLN 1083Cb 0.00 -0.60 -0.09 0.00 0.80 0.00 0.00 33.01 33.12 3hb9 s GLN 1083CO 0.00 -0.18 1.23 0.00 -0.50 0.00 0.00 175.29 175.84 3hb9 s ALA 1084N 1.30 3.47 0.01 1.58 0.00 -1.26 -0.49 121.76 126.36 3hb9 s ALA 1084Ca -0.06 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 3hb9 s ALA 1084Cb -0.13 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3hb9 s ALA 1084CO -0.02 -0.43 0.01 0.50 0.00 0.00 0.00 175.76 175.81 3hb9 s ARG 1085N -0.44 0.21 -0.06 0.00 6.06 -0.62 -4.88 118.95 119.21 3hb9 s ARG 1085Ca 0.53 -0.33 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 3hb9 s ARG 1085Cb -0.34 0.08 0.02 0.00 0.06 0.00 0.00 34.95 34.76 3hb9 s ARG 1085CO 0.39 -0.04 -0.09 1.03 -2.50 0.00 0.00 175.30 174.10 3hb9 s ARG 1086N -0.85 1.34 -0.04 5.12 0.52 -1.26 0.05 118.95 123.82 3hb9 s ARG 1086Ca -0.09 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 3hb9 s ARG 1086Cb -0.06 -1.20 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 3hb9 s ARG 1086CO -0.00 -0.04 -0.15 0.42 0.02 0.00 0.00 175.30 175.54 3hb9 s ILE 1087N 0.86 1.30 -0.23 1.52 -1.09 -0.94 -4.88 121.20 117.74 3hb9 s ILE 1087Ca -0.11 -0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 57.58 3hb9 s ILE 1087Cb -0.15 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 3hb9 s ILE 1087CO 0.01 0.38 0.11 -0.31 -1.23 0.00 0.00 174.94 173.91 3hb9 s TYR 1088N 0.11 3.22 -0.02 3.97 4.12 -1.26 -1.04 117.35 126.46 3hb9 s TYR 1088Ca -0.05 0.00 0.07 0.00 0.02 0.00 0.00 57.07 57.12 3hb9 s TYR 1088Cb -0.11 -2.23 -0.02 0.00 -1.52 0.00 0.00 41.96 38.08 3hb9 s TYR 1088CO 0.02 -0.05 -0.24 0.42 0.02 0.00 0.00 175.55 175.72 3hb9 s ILE 1089N 1.12 1.87 -0.52 2.71 1.09 -0.61 -4.94 121.20 121.92 3hb9 s ILE 1089Ca 0.06 -1.01 -0.28 0.00 -1.10 0.00 0.00 60.65 58.31 3hb9 s ILE 1089Cb -0.14 -1.56 0.03 0.00 -1.06 0.00 0.00 42.46 39.73 3hb9 s ILE 1089CO 0.04 0.53 1.15 -0.75 -0.10 0.00 0.00 174.94 175.81 3hb9 s LYS 1090N -0.53 3.62 0.44 2.79 2.36 -1.26 -1.03 119.74 126.13 3hb9 s LYS 1090Ca 0.08 0.40 -0.24 0.00 -2.55 0.00 0.00 55.97 53.66 3hb9 s LYS 1090Cb -0.09 -3.96 -0.08 0.00 -1.05 0.00 0.00 37.83 32.65 3hb9 s LYS 1090CO -0.01 -1.50 1.22 0.34 1.55 0.00 0.00 175.35 176.96 3hb9 s ASP 1091N 2.66 6.22 -0.11 1.43 3.68 -0.94 -4.95 116.67 124.67 3hb9 s ASP 1091Ca 0.45 2.46 0.14 0.00 2.13 0.00 0.00 52.55 57.73 3hb9 s ASP 1091Cb -0.07 -2.62 0.27 0.00 -1.45 0.00 0.00 42.92 39.04 3hb9 s ASP 1091CO 0.29 -0.90 1.13 -0.62 0.13 0.00 0.00 175.17 175.20 3hb9 n GLU 1092N -0.21 0.95 0.04 4.34 1.02 -1.26 -4.93 120.64 120.59 3hb9 n GLU 1092Ca 0.06 -2.33 -0.20 0.00 -0.02 0.00 0.00 57.16 54.67 3hb9 n GLU 1092Cb 0.46 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 3hb9 n GLU 1092CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3hb9 h ASN 1093N 0.29 0.83 0.00 1.62 4.21 -1.93 -3.52 115.58 117.08 3hb9 h ASN 1093Ca -0.02 -0.75 0.00 0.00 1.21 0.00 0.00 56.30 56.73 3hb9 h ASN 1093Cb 1.17 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3hb9 h ASN 1093CO 0.01 1.48 0.00 0.35 -1.29 0.00 0.00 177.43 177.98 3hb9 n THR 1140N -3.92 0.00 -3.54 2.81 -2.24 -1.09 -5.27 114.28 101.03 3hb9 n THR 1140Ca -0.11 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3hb9 n THR 1140Cb 0.85 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 3hb9 n THR 1140CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hb9 s GLU 1141N -2.00 4.06 0.00 -0.78 2.56 -1.26 -3.40 118.70 117.87 3hb9 s GLU 1141Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.84 3hb9 s GLU 1141Cb 0.00 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.54 3hb9 s GLU 1141CO 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 175.26 174.63 3hb9 n ALA 1142N 4.67 0.07 -3.07 6.30 0.00 -1.08 -4.94 120.51 122.47 3hb9 n ALA 1142Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3hb9 n ALA 1142Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 3.26 -0.80 0.00 2.81 -1.26 -4.78 117.12 116.35 3hb9 n MET 1143Ca 0.00 -4.78 0.00 0.00 -1.81 0.00 0.00 57.70 51.11 3hb9 n MET 1143Cb 0.00 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.23 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 0.18 -0.32 -3.67 0.03 5.02 -1.26 -4.97 118.16 113.18 3hb9 n LYS 1144Ca 0.32 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 56.30 3hb9 n LYS 1144Cb 0.38 -3.76 -0.12 0.00 -0.02 0.00 0.00 35.03 31.52 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 -0.72 2.93 -0.14 1.97 -1.94 -1.26 -5.08 119.30 115.06 3hb9 s MET 1145Ca 0.00 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 3hb9 s MET 1145Cb 0.00 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 33.26 3hb9 s MET 1145CO 0.00 -0.59 -0.19 -2.00 -0.01 0.00 0.00 175.02 172.23 3hb9 s GLU 1146N 1.52 3.15 0.00 2.03 -6.30 -1.26 -2.62 118.70 115.22 3hb9 s GLU 1146Ca 0.02 -0.80 0.00 0.00 -2.50 0.00 0.00 54.97 51.69 3hb9 s GLU 1146Cb -0.18 -2.50 0.00 0.00 0.00 0.00 0.00 34.13 31.44 3hb9 s GLU 1146CO 0.05 0.07 0.00 0.25 0.02 0.00 0.00 175.26 175.65