#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ho8 s ILE 37 N 0.00 3.95 0.00 5.09 -1.09 -1.26 -4.84 121.20 123.06 3ho8 s ILE 37 Ca 0.00 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 3ho8 s ILE 37 Cb 0.00 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3ho8 s ILE 37 CO 0.00 -0.37 0.00 0.29 -1.23 0.00 0.00 174.94 173.63 3ho8 n LYS 38 N 7.41 2.01 -3.66 2.79 5.02 -1.26 -4.90 118.16 125.57 3ho8 n LYS 38 Ca 0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 3ho8 n LYS 38 Cb 0.46 -0.82 -0.13 0.00 -0.02 0.00 0.00 35.03 34.52 3ho8 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ho8 s LYS 39 N -1.53 0.16 -0.25 1.97 2.47 -1.26 -2.91 119.74 118.39 3ho8 s LYS 39 Ca 0.00 0.77 -0.04 0.00 -1.56 0.00 0.00 55.97 55.14 3ho8 s LYS 39 Cb 0.00 -0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 3ho8 s LYS 39 CO 0.00 -0.28 -0.00 -1.17 0.16 0.00 0.00 175.35 174.06 3ho8 s LEU 40 N 2.41 3.31 -0.03 5.43 0.20 -0.43 -2.52 118.68 127.05 3ho8 s LEU 40 Ca 0.01 -0.61 -0.11 0.00 0.69 0.00 0.00 54.13 54.11 3ho8 s LEU 40 Cb -0.12 -1.78 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 3ho8 s LEU 40 CO -0.09 -0.10 0.32 -0.22 -0.29 0.00 0.00 176.35 175.96 3ho8 s LEU 41 N 1.45 4.43 -0.25 -0.68 0.20 -0.69 -1.29 118.68 121.85 3ho8 s LEU 41 Ca 0.03 0.78 -0.08 0.00 0.69 0.00 0.00 54.13 55.55 3ho8 s LEU 41 Cb -0.16 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.10 3ho8 s LEU 41 CO -0.01 0.33 0.10 -0.69 -0.29 0.00 0.00 176.35 175.79 3ho8 s VAL 42 N -1.10 4.59 -0.46 1.68 1.01 -0.99 0.13 120.40 125.25 3ho8 s VAL 42 Ca 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3ho8 s VAL 42 Cb -0.15 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.19 3ho8 s VAL 42 CO 0.11 0.33 2.61 0.00 0.00 0.00 0.00 175.10 178.15 3ho8 n ALA 43 N 4.86 6.29 -3.39 5.51 0.00 -0.28 -3.98 120.51 129.52 3ho8 n ALA 43 Ca -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 53.44 50.29 3ho8 n ALA 43 Cb 0.52 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 17.93 3ho8 n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ho8 n ASN 44 N 0.68 -0.55 -4.07 0.00 5.15 -1.26 -4.67 115.26 110.54 3ho8 n ASN 44 Ca 0.47 -1.71 -0.12 0.00 -0.60 0.00 0.00 54.58 52.63 3ho8 n ASN 44 Cb 0.54 1.01 -0.08 0.00 -0.53 0.00 0.00 39.78 40.71 3ho8 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ho8 s ARG 45 N -2.28 1.35 2.17 1.20 1.70 -1.26 -4.49 118.95 117.33 3ho8 s ARG 45 Ca 0.11 -1.54 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 3ho8 s ARG 45 Cb -0.00 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3ho8 s ARG 45 CO 0.08 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.22 3ho8 n GLY 46 N -0.33 0.83 0.26 3.88 0.00 -1.26 -3.96 105.19 104.61 3ho8 n GLY 46 Ca 0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 3ho8 n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ho8 n GLU 47 N 0.00 -0.27 0.32 1.61 -0.00 -1.26 0.04 120.64 121.08 3ho8 n GLU 47 Ca 0.00 1.07 0.20 0.00 -0.00 0.00 0.00 57.16 58.43 3ho8 n GLU 47 Cb 0.00 -1.58 1.10 0.00 -0.00 0.00 0.00 31.44 30.96 3ho8 n GLU 47 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 3ho8 h ILE 48 N 0.00 0.18 -0.13 3.84 6.09 -1.92 0.34 117.51 125.90 3ho8 h ILE 48 Ca 0.10 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 63.39 3ho8 h ILE 48 Cb 0.25 0.98 0.01 0.00 0.47 0.00 0.00 36.82 38.53 3ho8 h ILE 48 CO -0.58 0.00 -0.68 0.00 -3.07 0.00 0.00 178.15 173.82 3ho8 h ALA 49 N 1.96 0.25 -0.67 0.18 0.00 -0.52 -2.78 119.26 117.69 3ho8 h ALA 49 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3ho8 h ALA 49 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ho8 h ALA 49 CO -0.00 0.56 0.33 0.82 0.00 0.00 0.00 179.25 180.96 3ho8 h ILE 50 N 0.36 1.22 0.31 0.00 5.03 -0.14 -2.31 117.51 121.99 3ho8 h ILE 50 Ca -0.05 -0.62 -0.00 0.00 -0.12 0.00 0.00 64.86 64.07 3ho8 h ILE 50 Cb 1.32 0.40 -0.02 0.00 -3.03 0.00 0.00 36.82 35.49 3ho8 h ILE 50 CO 0.14 0.26 -0.27 -0.09 -0.68 0.00 0.00 178.15 177.51 3ho8 h ARG 51 N 0.93 -0.58 -0.19 2.37 9.65 -1.18 -2.36 114.38 123.02 3ho8 h ARG 51 Ca 0.23 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.20 3ho8 h ARG 51 Cb 0.11 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 3ho8 h ARG 51 CO -0.03 -0.39 -0.19 0.82 2.80 0.00 0.00 179.97 182.98 3ho8 h ILE 52 N -0.60 0.49 -0.28 1.20 2.04 -1.41 -2.66 117.51 116.29 3ho8 h ILE 52 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3ho8 h ILE 52 Cb 0.54 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ho8 h ILE 52 CO -0.03 0.00 0.20 -0.26 0.00 0.00 0.00 178.15 178.07 3ho8 h PHE 53 N -0.22 0.00 0.03 1.37 0.05 -1.24 0.76 116.94 117.69 3ho8 h PHE 53 Ca 0.12 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.68 3ho8 h PHE 53 Cb 0.40 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.34 3ho8 h PHE 53 CO -0.33 0.00 -0.99 0.00 -0.18 0.00 0.00 178.31 176.81 3ho8 h ARG 54 N 0.00 0.29 0.01 1.51 3.08 -1.10 -2.60 114.38 115.57 3ho8 h ARG 54 Ca 0.13 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ho8 h ARG 54 Cb 0.54 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ho8 h ARG 54 CO -0.00 1.08 -0.00 0.00 -1.07 0.00 0.00 179.97 179.97 3ho8 h ALA 55 N 0.79 -0.01 -0.91 0.04 0.00 -0.58 -2.91 119.26 115.69 3ho8 h ALA 55 Ca -0.08 -0.41 0.15 0.00 0.00 0.00 0.00 54.91 54.57 3ho8 h ALA 55 Cb 1.65 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 3ho8 h ALA 55 CO 0.16 -0.08 0.58 0.00 0.00 0.00 0.00 179.25 179.92 3ho8 h ALA 56 N 0.08 1.82 -0.01 0.00 0.00 0.30 -1.82 119.26 119.62 3ho8 h ALA 56 Ca -0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3ho8 h ALA 56 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ho8 h ALA 56 CO 0.00 -0.08 -0.74 0.00 0.00 0.00 0.00 179.25 178.44 3ho8 h ALA 57 N 1.60 0.76 -0.28 0.00 0.00 -1.53 -1.55 119.26 118.25 3ho8 h ALA 57 Ca 0.46 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3ho8 h ALA 57 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3ho8 h ALA 57 CO -0.22 0.89 -0.02 0.93 0.00 0.00 0.00 179.25 180.83 3ho8 h GLU 58 N 0.04 0.43 -0.57 0.00 5.08 -1.12 -1.19 114.58 117.25 3ho8 h GLU 58 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3ho8 h GLU 58 Cb 1.30 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3ho8 h GLU 58 CO 0.10 0.48 0.00 1.28 -1.00 0.00 0.00 179.01 179.87 3ho8 n LEU 59 N -4.30 2.31 -2.93 1.33 4.77 -1.06 -4.92 117.00 112.21 3ho8 n LEU 59 Ca 0.01 -1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 54.61 3ho8 n LEU 59 Cb 0.24 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3ho8 n LEU 59 CO 0.38 0.41 -0.07 0.47 -1.33 0.00 0.00 177.39 177.25 3ho8 n ASP 60 N 0.33 -5.29 -4.81 -1.43 8.00 -0.45 -4.98 116.55 107.92 3ho8 n ASP 60 Ca 0.11 -0.21 -0.36 0.00 0.71 0.00 0.00 54.79 55.04 3ho8 n ASP 60 Cb 0.45 -4.34 -0.06 0.00 -0.02 0.00 0.00 41.12 37.15 3ho8 n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ho8 s ILE 61 N -3.04 4.50 -0.04 0.53 -1.09 -0.61 -5.02 121.20 116.44 3ho8 s ILE 61 Ca 0.24 1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 59.76 3ho8 s ILE 61 Cb -0.11 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 3ho8 s ILE 61 CO 0.30 0.20 1.01 -0.44 -1.23 0.00 0.00 174.94 174.78 3ho8 s SER 62 N -1.64 7.29 -0.16 3.58 0.01 -1.15 -4.49 113.70 117.15 3ho8 s SER 62 Ca 0.44 1.64 -0.03 0.00 1.31 0.00 0.00 55.95 59.31 3ho8 s SER 62 Cb -0.17 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3ho8 s SER 62 CO 0.22 -0.36 -0.05 0.42 0.41 0.00 0.00 173.24 173.88 3ho8 s THR 63 N 1.44 3.76 -0.13 1.44 -4.23 -1.26 -1.32 115.64 115.35 3ho8 s THR 63 Ca 0.51 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3ho8 s THR 63 Cb -0.21 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3ho8 s THR 63 CO 0.24 0.49 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.96 3ho8 s VAL 64 N 0.49 2.75 0.01 2.29 1.01 -0.42 0.60 120.40 127.13 3ho8 s VAL 64 Ca -0.04 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3ho8 s VAL 64 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3ho8 s VAL 64 CO 0.03 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 3ho8 s ALA 65 N 0.49 3.15 -0.04 5.51 0.00 0.21 -2.34 121.76 128.73 3ho8 s ALA 65 Ca -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3ho8 s ALA 65 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3ho8 s ALA 65 CO 0.05 0.63 -0.08 0.96 0.00 0.00 0.00 175.76 177.32 3ho8 s ILE 66 N -1.05 3.58 0.09 0.00 -4.36 -1.26 -1.92 121.20 116.28 3ho8 s ILE 66 Ca 0.19 -0.61 0.04 0.00 -0.26 0.00 0.00 60.65 60.00 3ho8 s ILE 66 Cb -0.11 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 3ho8 s ILE 66 CO 0.09 0.53 -0.11 -0.72 0.24 0.00 0.00 174.94 174.97 3ho8 s TYR 67 N -0.86 1.11 0.44 1.37 1.13 -0.86 -4.73 117.35 114.95 3ho8 s TYR 67 Ca 0.14 -0.59 0.08 0.00 -1.41 0.00 0.00 57.07 55.28 3ho8 s TYR 67 Cb -0.11 -0.61 0.01 0.00 -1.10 0.00 0.00 41.96 40.15 3ho8 s TYR 67 CO 0.03 0.03 0.53 -1.54 -2.51 0.00 0.00 175.55 172.09 3ho8 s SER 68 N -2.25 5.40 0.19 -0.18 1.04 -1.26 -3.21 113.70 113.43 3ho8 s SER 68 Ca 0.03 -0.58 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 3ho8 s SER 68 Cb -0.05 -0.50 0.14 0.00 0.10 0.00 0.00 66.02 65.71 3ho8 s SER 68 CO 0.01 -0.80 1.59 0.78 0.98 0.00 0.00 173.24 175.80 3ho8 h ASN 69 N 0.71 -1.11 0.90 7.02 4.21 -1.89 -0.85 115.58 124.57 3ho8 h ASN 69 Ca -0.39 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.34 3ho8 h ASN 69 Cb 1.28 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 39.04 3ho8 h ASN 69 CO 0.48 -0.30 0.00 -0.08 -1.29 0.00 0.00 177.43 176.25 3ho8 h GLU 70 N -0.14 0.00 -0.65 0.81 4.57 -1.95 -3.02 114.58 114.20 3ho8 h GLU 70 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3ho8 h GLU 70 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3ho8 h GLU 70 CO -0.69 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 176.89 3ho8 n ASP 71 N -2.90 4.11 -0.31 1.04 8.00 -0.33 -4.27 116.55 121.90 3ho8 n ASP 71 Ca 0.01 -2.49 0.11 0.00 0.71 0.00 0.00 54.79 53.13 3ho8 n ASP 71 Cb 0.28 -0.56 0.25 0.00 -0.02 0.00 0.00 41.12 41.06 3ho8 n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3ho8 h LYS 72 N 3.10 0.08 0.00 -1.24 1.79 -1.53 -1.42 116.57 117.35 3ho8 h LYS 72 Ca 0.00 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 3ho8 h LYS 72 Cb 1.36 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 3ho8 h LYS 72 CO 0.26 0.05 -0.34 0.77 -1.08 0.00 0.00 179.45 179.11 3ho8 h SER 73 N 0.08 0.00 -2.70 0.86 0.02 -1.89 -3.48 113.55 106.45 3ho8 h SER 73 Ca 0.53 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.89 3ho8 h SER 73 Cb 1.05 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.75 3ho8 h SER 73 CO -0.79 0.34 -0.35 -0.24 -1.14 0.00 0.00 176.83 174.64 3ho8 n SER 74 N -3.23 -0.79 0.18 3.07 2.88 -0.54 -4.88 113.62 110.32 3ho8 n SER 74 Ca 0.02 0.84 0.03 0.00 -1.33 0.00 0.00 58.87 58.42 3ho8 n SER 74 Cb 0.63 -1.16 0.38 0.00 -0.75 0.00 0.00 64.21 63.30 3ho8 n SER 74 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3ho8 h LEU 75 N 0.61 0.03 -0.83 2.46 6.46 -1.89 -3.26 115.31 118.88 3ho8 h LEU 75 Ca -0.43 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.20 3ho8 h LEU 75 Cb 1.39 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 3ho8 h LEU 75 CO 0.50 0.35 -0.48 1.12 -0.62 0.00 0.00 178.44 179.31 3ho8 h HIS 76 N 0.03 0.29 -0.80 1.25 2.07 -1.89 -3.10 115.15 113.00 3ho8 h HIS 76 Ca 0.00 -0.09 0.12 0.00 -2.85 0.00 0.00 60.37 57.55 3ho8 h HIS 76 Cb 0.59 -0.06 -0.12 0.00 2.57 0.00 0.00 27.41 30.38 3ho8 h HIS 76 CO 0.00 0.68 -0.33 0.54 -3.07 0.00 0.00 177.93 175.75 3ho8 n ARG 77 N -3.97 -0.21 -1.62 5.12 1.74 -1.23 -2.09 116.66 114.40 3ho8 n ARG 77 Ca -0.02 1.23 -0.31 0.00 -0.77 0.00 0.00 57.85 57.98 3ho8 n ARG 77 Cb 0.53 -1.82 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 3ho8 n ARG 77 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3ho8 n TYR 78 N -5.16 3.06 -0.95 -1.55 0.18 -1.17 -4.05 117.16 107.52 3ho8 n TYR 78 Ca 0.07 -2.72 0.04 0.00 1.88 0.00 0.00 57.90 57.17 3ho8 n TYR 78 Cb 0.31 -1.02 0.06 0.00 -0.38 0.00 0.00 39.34 38.30 3ho8 n TYR 78 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3ho8 n LYS 79 N -0.82 1.35 -4.26 -3.48 5.02 -0.89 -5.01 118.16 110.06 3ho8 n LYS 79 Ca 0.55 -1.75 -0.17 0.00 -2.02 0.00 0.00 58.31 54.92 3ho8 n LYS 79 Cb 0.76 -1.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 3ho8 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ho8 s ALA 80 N -1.49 1.60 0.24 7.82 0.00 -1.25 -4.81 121.76 123.86 3ho8 s ALA 80 Ca 0.14 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 3ho8 s ALA 80 Cb 0.12 -0.06 0.36 0.00 0.00 0.00 0.00 23.12 23.54 3ho8 s ALA 80 CO 0.01 0.06 1.83 -0.44 0.00 0.00 0.00 175.76 177.23 3ho8 h ASP 81 N 3.20 0.74 -4.37 0.00 3.45 -0.19 -3.44 116.42 115.83 3ho8 h ASP 81 Ca -0.39 0.03 -0.39 0.00 0.43 0.00 0.00 57.03 56.71 3ho8 h ASP 81 Cb 1.20 -0.12 -0.24 0.00 -0.56 0.00 0.00 39.33 39.61 3ho8 h ASP 81 CO 0.55 0.45 -0.78 -1.61 -1.57 0.00 0.00 179.24 176.29 3ho8 s GLU 82 N -6.05 0.79 0.03 3.56 2.02 -0.18 -5.02 118.70 113.86 3ho8 s GLU 82 Ca -0.12 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3ho8 s GLU 82 Cb 0.19 -0.75 -0.02 0.00 0.10 0.00 0.00 34.13 33.65 3ho8 s GLU 82 CO 0.78 0.18 -0.07 -1.54 0.02 0.00 0.00 175.26 174.64 3ho8 s SER 83 N -1.13 0.71 -0.08 -0.19 1.04 -1.26 0.66 113.70 113.45 3ho8 s SER 83 Ca -0.01 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.84 3ho8 s SER 83 Cb -0.08 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3ho8 s SER 83 CO 0.01 -0.20 0.22 -0.31 0.98 0.00 0.00 173.24 173.93 3ho8 s TYR 84 N -1.30 -0.24 -0.03 5.02 1.51 -0.81 -4.96 117.35 116.54 3ho8 s TYR 84 Ca -0.10 0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 56.25 3ho8 s TYR 84 Cb -0.09 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 41.78 3ho8 s TYR 84 CO 0.00 -0.12 1.38 -1.17 -1.11 0.00 0.00 175.55 174.53 3ho8 s LEU 85 N 0.22 4.30 -1.12 -1.29 2.96 -1.26 -2.04 118.68 120.44 3ho8 s LEU 85 Ca -0.01 2.04 -0.05 0.00 -0.22 0.00 0.00 54.13 55.89 3ho8 s LEU 85 Cb -0.02 -3.56 0.28 0.00 0.50 0.00 0.00 46.19 43.39 3ho8 s LEU 85 CO -0.00 -0.72 1.59 1.33 -1.32 0.00 0.00 176.35 177.22 3ho8 n VAL 86 N 4.79 5.16 -1.95 1.68 0.24 -1.20 -4.82 118.33 122.24 3ho8 n VAL 86 Ca 0.13 -5.61 -0.02 0.00 -2.04 0.00 0.00 64.34 56.80 3ho8 n VAL 86 Cb 0.44 -2.12 -0.02 0.00 -1.47 0.00 0.00 33.84 30.67 3ho8 n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ho8 n GLY 87 N 1.58 -3.99 0.00 7.63 0.00 -1.26 -4.85 105.19 104.30 3ho8 n GLY 87 Ca 0.30 0.54 0.02 0.00 0.00 0.00 0.00 46.02 46.88 3ho8 n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ho8 n SER 88 N 0.75 0.00 0.01 1.61 3.41 -1.26 -3.75 113.62 114.39 3ho8 n SER 88 Ca -0.18 0.49 -0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3ho8 n SER 88 Cb 0.28 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3ho8 n SER 88 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ho8 h ASP 89 N 0.00 -0.03 -4.04 4.04 5.19 -2.02 -3.47 116.42 116.10 3ho8 h ASP 89 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 3ho8 h ASP 89 Cb 0.08 0.01 0.12 0.00 0.18 0.00 0.00 39.33 39.72 3ho8 h ASP 89 CO 0.00 -0.00 0.60 -1.48 -3.12 0.00 0.00 179.24 175.24 3ho8 s LEU 90 N -4.29 3.90 1.41 1.55 0.05 -1.25 -4.98 118.68 115.07 3ho8 s LEU 90 Ca -0.00 2.72 -0.22 0.00 0.05 0.00 0.00 54.13 56.67 3ho8 s LEU 90 Cb 0.00 -4.23 0.36 0.00 -2.05 0.00 0.00 46.19 40.27 3ho8 s LEU 90 CO 0.01 -1.44 0.93 -0.83 -0.55 0.00 0.00 176.35 174.48 3ho8 s GLY 91 N -0.96 1.42 0.30 -3.48 0.00 -1.26 -4.70 107.32 98.64 3ho8 s GLY 91 Ca 0.69 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.67 3ho8 s GLY 91 CO 0.47 0.23 1.84 -0.56 0.00 0.00 0.00 173.10 175.08 3ho8 h PRO 92 N -3.38 0.70 0.38 2.90 0.13 -1.97 -3.03 132.00 127.73 3ho8 h PRO 92 Ca -0.45 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 3ho8 h PRO 92 Cb 1.34 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ho8 h PRO 92 CO 0.30 0.67 -0.18 0.00 -0.23 0.00 0.00 178.00 178.56 3ho8 h ALA 93 N 1.41 -0.51 -0.10 -0.56 0.00 -1.91 -3.26 119.26 114.34 3ho8 h ALA 93 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ho8 h ALA 93 Cb 0.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ho8 h ALA 93 CO 0.00 -0.74 0.00 -0.85 0.00 0.00 0.00 179.25 177.67 3ho8 n GLU 94 N -5.27 1.78 0.00 0.00 0.00 -1.23 -4.07 120.64 111.86 3ho8 n GLU 94 Ca -0.11 -1.16 0.05 0.00 0.00 0.00 0.00 57.16 55.94 3ho8 n GLU 94 Cb 0.25 -1.45 0.25 0.00 0.00 0.00 0.00 31.44 30.49 3ho8 n GLU 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3ho8 n SER 95 N 0.39 0.00 -0.13 -1.84 7.64 -1.14 -1.04 113.62 117.49 3ho8 n SER 95 Ca 0.18 0.03 0.05 0.00 1.01 0.00 0.00 58.87 60.14 3ho8 n SER 95 Cb 0.38 -0.21 0.08 0.00 -1.01 0.00 0.00 64.21 63.44 3ho8 n SER 95 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ho8 n TYR 96 N -1.21 0.00 -0.24 1.43 4.02 -1.26 -4.72 117.16 115.19 3ho8 n TYR 96 Ca 0.05 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 3ho8 n TYR 96 Cb 0.06 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3ho8 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3ho8 n LEU 97 N -0.87 0.43 -4.36 7.72 4.77 -0.20 -4.19 117.00 120.30 3ho8 n LEU 97 Ca 0.09 -0.54 -0.45 0.00 -0.03 0.00 0.00 56.01 55.07 3ho8 n LEU 97 Cb 0.56 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 3ho8 n LEU 97 CO 0.01 0.11 0.41 0.21 -1.33 0.00 0.00 177.39 176.80 3ho8 s ASN 98 N -0.21 6.33 0.08 -1.43 3.84 -1.00 -4.95 114.94 117.60 3ho8 s ASN 98 Ca 0.00 -1.80 -0.27 0.00 0.21 0.00 0.00 52.86 51.00 3ho8 s ASN 98 Cb 0.00 -2.28 -0.12 0.00 -0.55 0.00 0.00 41.25 38.31 3ho8 s ASN 98 CO 0.00 -0.96 1.44 0.40 -2.79 0.00 0.00 177.10 175.19 3ho8 h ILE 99 N 5.70 0.00 0.00 -5.21 2.04 -1.93 -1.95 117.51 116.15 3ho8 h ILE 99 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3ho8 h ILE 99 Cb 1.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ho8 h ILE 99 CO 1.03 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 178.56 3ho8 n GLU 100 N -4.83 0.15 -0.14 2.37 -0.58 -1.26 -2.37 120.64 113.98 3ho8 n GLU 100 Ca -0.07 0.17 -0.28 0.00 -0.42 0.00 0.00 57.16 56.57 3ho8 n GLU 100 Cb 0.33 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.59 3ho8 n GLU 100 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3ho8 n ARG 101 N -1.25 0.60 0.05 3.49 3.00 -0.78 -3.87 116.66 117.91 3ho8 n ARG 101 Ca 0.05 0.26 0.18 0.00 -0.00 0.00 0.00 57.85 58.34 3ho8 n ARG 101 Cb 0.07 -1.51 0.69 0.00 0.00 0.00 0.00 32.46 31.71 3ho8 n ARG 101 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3ho8 h ILE 102 N -0.83 0.76 -0.37 5.15 1.08 -1.18 -1.27 117.51 120.85 3ho8 h ILE 102 Ca -0.67 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.71 3ho8 h ILE 102 Cb 1.66 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 3ho8 h ILE 102 CO -0.36 0.00 -0.14 0.40 -0.69 0.00 0.00 178.15 177.36 3ho8 h ILE 103 N 0.00 1.25 0.53 -0.67 2.04 -1.62 -2.89 117.51 116.16 3ho8 h ILE 103 Ca 0.20 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3ho8 h ILE 103 Cb 0.83 1.12 0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3ho8 h ILE 103 CO -0.00 0.38 -0.26 0.44 0.00 0.00 0.00 178.15 178.71 3ho8 h ASP 104 N 0.59 -0.61 -0.57 1.72 5.19 -1.34 -1.70 116.42 119.70 3ho8 h ASP 104 Ca 0.10 -0.06 0.11 0.00 -0.62 0.00 0.00 57.03 56.56 3ho8 h ASP 104 Cb 0.57 0.16 -0.11 0.00 0.18 0.00 0.00 39.33 40.13 3ho8 h ASP 104 CO 0.04 -0.27 -0.30 0.58 -3.12 0.00 0.00 179.24 176.17 3ho8 h VAL 105 N -0.97 0.21 -0.22 -1.35 2.07 -1.61 0.49 116.25 114.87 3ho8 h VAL 105 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3ho8 h VAL 105 Cb 0.63 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3ho8 h VAL 105 CO 0.12 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.38 3ho8 h ALA 106 N 1.08 -0.33 -0.51 1.67 0.00 -1.40 0.34 119.26 120.11 3ho8 h ALA 106 Ca 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ho8 h ALA 106 Cb 0.54 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3ho8 h ALA 106 CO -0.66 -0.79 0.09 0.87 0.00 0.00 0.00 179.25 178.77 3ho8 h LYS 107 N -0.36 0.84 -0.47 0.00 1.57 -0.50 0.27 116.57 117.91 3ho8 h LYS 107 Ca 0.12 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3ho8 h LYS 107 Cb 0.55 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3ho8 h LYS 107 CO -0.42 0.82 0.22 0.37 -0.57 0.00 0.00 179.45 179.87 3ho8 h GLN 108 N 0.72 0.66 -0.04 3.15 -0.00 0.50 -1.86 115.11 118.23 3ho8 h GLN 108 Ca 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3ho8 h GLN 108 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.74 3ho8 h GLN 108 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 178.83 179.36 3ho8 n ALA 109 N -2.46 2.60 -2.54 3.38 0.00 0.11 -4.93 120.51 116.67 3ho8 n ALA 109 Ca 0.04 -0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 3ho8 n ALA 109 Cb 0.13 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.32 3ho8 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ho8 n ASN 110 N -0.34 -4.88 -4.73 0.00 4.13 -0.70 -4.99 115.26 103.75 3ho8 n ASN 110 Ca 0.18 -0.11 -0.41 0.00 1.68 0.00 0.00 54.58 55.92 3ho8 n ASN 110 Cb 0.21 -3.88 -0.03 0.00 -1.54 0.00 0.00 39.78 34.54 3ho8 n ASN 110 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ho8 s VAL 111 N -2.90 3.93 -1.75 2.41 1.01 0.91 -4.80 120.40 119.20 3ho8 s VAL 111 Ca 0.10 1.53 0.15 0.00 0.00 0.00 0.00 61.98 63.76 3ho8 s VAL 111 Cb -0.05 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3ho8 s VAL 111 CO 0.13 0.20 0.93 -0.90 0.00 0.00 0.00 175.10 175.46 3ho8 n ASP 112 N 3.05 2.08 -3.56 3.32 5.68 -1.05 -4.60 116.55 121.47 3ho8 n ASP 112 Ca 0.05 -1.54 -0.16 0.00 -0.50 0.00 0.00 54.79 52.65 3ho8 n ASP 112 Cb 0.46 0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 3ho8 n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ho8 s ALA 113 N -1.38 -1.79 -0.08 2.12 0.00 -1.18 -2.51 121.76 116.94 3ho8 s ALA 113 Ca 0.16 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.68 3ho8 s ALA 113 Cb 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3ho8 s ALA 113 CO 0.23 -0.35 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 3ho8 s ILE 114 N -0.73 3.15 -0.24 0.00 1.01 -1.24 -1.71 121.20 121.43 3ho8 s ILE 114 Ca -0.07 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 3ho8 s ILE 114 Cb -0.01 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3ho8 s ILE 114 CO 0.06 0.57 0.27 -2.28 0.00 0.00 0.00 174.94 173.56 3ho8 s HIS 115 N -0.35 3.30 0.17 3.97 5.65 0.12 -0.66 115.29 127.48 3ho8 s HIS 115 Ca 0.04 0.35 -0.09 0.00 0.25 0.00 0.00 55.06 55.60 3ho8 s HIS 115 Cb -0.12 -2.42 0.03 0.00 -1.18 0.00 0.00 32.58 28.88 3ho8 s HIS 115 CO 0.02 -0.05 1.56 -1.35 -0.65 0.00 0.00 174.74 174.27 3ho8 h PRO 116 N 7.76 0.99 0.00 2.88 0.11 -1.80 -0.74 132.00 141.20 3ho8 h PRO 116 Ca -0.36 -0.42 0.00 0.00 0.11 0.00 0.00 66.00 65.34 3ho8 h PRO 116 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ho8 h PRO 116 CO 0.65 1.09 0.00 0.41 -0.21 0.00 0.00 178.00 179.94 3ho8 n GLY 117 N -0.13 -1.64 3.67 -0.55 0.00 -1.26 -4.49 105.19 100.80 3ho8 n GLY 117 Ca 0.00 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 3ho8 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ho8 s TYR 118 N 0.00 2.83 0.00 1.61 -0.85 -1.26 -4.51 117.35 115.16 3ho8 s TYR 118 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 3ho8 s TYR 118 Cb 0.00 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 41.01 3ho8 s TYR 118 CO 0.00 0.54 0.00 0.41 -1.52 0.00 0.00 175.55 174.98 3ho8 n GLY 119 N -0.42 -0.82 2.07 5.49 0.00 -1.26 -4.84 105.19 105.41 3ho8 n GLY 119 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3ho8 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ho8 n PHE 120 N 0.00 0.00 -3.77 1.61 3.72 -1.26 -2.53 117.46 115.23 3ho8 n PHE 120 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 3ho8 n PHE 120 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3ho8 n PHE 120 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ho8 s LEU 121 N 0.00 5.08 0.00 4.37 1.43 -1.26 -4.68 118.68 123.63 3ho8 s LEU 121 Ca 0.00 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.36 3ho8 s LEU 121 Cb 0.00 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3ho8 s LEU 121 CO 0.00 -0.37 0.00 -1.20 0.23 0.00 0.00 176.35 175.01 3ho8 n SER 122 N 3.61 0.00 0.00 2.29 7.64 -1.05 -4.56 113.62 121.55 3ho8 n SER 122 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3ho8 n SER 122 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3ho8 n SER 122 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3ho8 n GLU 123 N 0.00 0.15 -3.45 1.43 2.13 -1.26 -4.71 120.64 114.94 3ho8 n GLU 123 Ca 0.00 -0.37 -0.37 0.00 0.66 0.00 0.00 57.16 57.07 3ho8 n GLU 123 Cb 0.00 -0.56 -0.06 0.00 0.27 0.00 0.00 31.44 31.08 3ho8 n GLU 123 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3ho8 s ASN 124 N -0.07 6.65 0.05 4.31 3.04 -1.26 -4.87 114.94 122.79 3ho8 s ASN 124 Ca 0.00 0.77 -0.24 0.00 0.04 0.00 0.00 52.86 53.42 3ho8 s ASN 124 Cb 0.00 -2.24 -0.17 0.00 -1.54 0.00 0.00 41.25 37.30 3ho8 s ASN 124 CO 0.00 0.14 1.56 -0.33 -3.04 0.00 0.00 177.10 175.43 3ho8 h GLU 125 N 6.04 -0.02 -0.05 0.43 4.39 -1.94 -3.21 114.58 120.21 3ho8 h GLU 125 Ca -0.45 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3ho8 h GLU 125 Cb 1.19 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3ho8 h GLU 125 CO 0.71 0.16 0.02 0.37 -1.16 0.00 0.00 179.01 179.10 3ho8 h GLN 126 N -0.20 0.08 -0.76 2.33 5.75 -1.98 -0.85 115.11 119.49 3ho8 h GLN 126 Ca -0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3ho8 h GLN 126 Cb 0.19 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3ho8 h GLN 126 CO 0.00 0.23 0.50 0.35 -2.65 0.00 0.00 178.83 177.26 3ho8 h PHE 127 N -0.08 0.93 0.23 3.99 3.57 -1.98 0.38 116.94 123.97 3ho8 h PHE 127 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ho8 h PHE 127 Cb 0.18 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3ho8 h PHE 127 CO -0.01 0.57 -0.11 0.00 -2.23 0.00 0.00 178.31 176.52 3ho8 h ALA 128 N 1.54 -0.31 -0.98 2.41 0.00 -1.53 -2.94 119.26 117.45 3ho8 h ALA 128 Ca 0.29 -0.21 0.31 0.00 0.00 0.00 0.00 54.91 55.30 3ho8 h ALA 128 Cb -0.06 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 3ho8 h ALA 128 CO -0.07 -0.42 0.52 -0.09 0.00 0.00 0.00 179.25 179.19 3ho8 h ARG 129 N -0.82 0.30 0.20 0.00 2.43 -0.56 -2.12 114.38 113.82 3ho8 h ARG 129 Ca -0.03 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.81 3ho8 h ARG 129 Cb 0.51 -0.07 0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3ho8 h ARG 129 CO 0.05 0.20 -1.35 0.00 -1.51 0.00 0.00 179.97 177.36 3ho8 h ARG 130 N 0.31 0.56 -0.61 0.20 2.47 -1.00 -3.05 114.38 113.26 3ho8 h ARG 130 Ca 0.71 -0.87 0.12 0.00 -1.26 0.00 0.00 59.98 58.67 3ho8 h ARG 130 Cb 1.58 0.31 -0.12 0.00 -1.65 0.00 0.00 29.97 30.10 3ho8 h ARG 130 CO -0.61 1.41 -0.20 0.00 0.56 0.00 0.00 179.97 181.13 3ho8 h ALA 132 N 1.46 0.94 0.00 0.00 0.00 -1.37 0.28 119.26 120.58 3ho8 h ALA 132 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ho8 h ALA 132 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ho8 h ALA 132 CO -0.65 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.25 3ho8 n GLU 133 N -3.26 0.74 -0.09 0.00 1.02 -0.66 -3.20 120.64 115.18 3ho8 n GLU 133 Ca 0.01 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 3ho8 n GLU 133 Cb 0.49 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.45 3ho8 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ho8 n GLU 134 N -1.09 1.46 -2.00 3.49 -0.58 -0.53 -5.01 120.64 116.38 3ho8 n GLU 134 Ca 0.19 -1.51 -0.12 0.00 -0.42 0.00 0.00 57.16 55.30 3ho8 n GLU 134 Cb 0.13 -0.95 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 3ho8 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ho8 n GLY 135 N -0.57 0.23 3.34 0.62 0.00 -0.91 -5.02 105.19 102.88 3ho8 n GLY 135 Ca 0.04 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3ho8 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ho8 s ILE 136 N -2.55 3.22 -0.75 -0.61 1.01 0.87 -4.77 121.20 117.62 3ho8 s ILE 136 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 3ho8 s ILE 136 Cb 0.00 -2.42 0.13 0.00 0.01 0.00 0.00 42.46 40.18 3ho8 s ILE 136 CO 0.00 0.47 0.90 -0.75 0.00 0.00 0.00 174.94 175.56 3ho8 s LYS 137 N 0.95 3.33 -0.48 2.79 2.20 -1.04 -2.42 119.74 125.06 3ho8 s LYS 137 Ca -0.01 -1.57 -0.43 0.00 -0.36 0.00 0.00 55.97 53.60 3ho8 s LYS 137 Cb -0.15 -4.51 -0.19 0.00 -1.51 0.00 0.00 37.83 31.48 3ho8 s LYS 137 CO -0.00 -1.63 1.86 0.34 -0.36 0.00 0.00 175.35 175.56 3ho8 n PHE 138 N 6.27 1.33 -2.24 4.03 -0.00 -1.26 -3.69 117.46 121.89 3ho8 n PHE 138 Ca 0.06 0.88 -0.42 0.00 -0.00 0.00 0.00 57.45 57.97 3ho8 n PHE 138 Cb 0.46 -2.18 -0.00 0.00 -0.00 0.00 0.00 39.48 37.75 3ho8 n PHE 138 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3ho8 n ILE 139 N 5.34 3.63 -1.77 -2.13 5.41 0.17 -4.78 119.36 125.23 3ho8 n ILE 139 Ca 0.44 -3.58 0.00 0.00 1.00 0.00 0.00 62.75 60.61 3ho8 n ILE 139 Cb -0.05 -2.42 0.00 0.00 -0.71 0.00 0.00 39.64 36.46 3ho8 n ILE 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ho8 n GLY 140 N 4.98 2.81 3.78 7.39 0.00 -1.26 -4.53 105.19 118.35 3ho8 n GLY 140 Ca 0.50 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3ho8 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ho8 s PRO 141 N 1.38 -0.01 1.01 1.61 0.05 -1.24 -4.72 135.00 133.07 3ho8 s PRO 141 Ca 0.00 -0.19 -0.12 0.00 0.05 0.00 0.00 61.00 60.74 3ho8 s PRO 141 Cb 0.00 -1.75 0.20 0.00 0.05 0.00 0.00 34.50 33.00 3ho8 s PRO 141 CO 0.00 -2.88 1.08 -1.01 0.05 0.00 0.00 177.00 174.24 3ho8 s HIS 142 N -3.47 1.99 0.21 0.56 3.76 -1.26 -4.90 115.29 112.18 3ho8 s HIS 142 Ca 0.71 1.09 -0.09 0.00 -0.15 0.00 0.00 55.06 56.63 3ho8 s HIS 142 Cb -0.07 -3.21 0.26 0.00 1.11 0.00 0.00 32.58 30.66 3ho8 s HIS 142 CO 0.54 -2.99 1.80 -0.07 -0.85 0.00 0.00 174.74 173.17 3ho8 h LEU 143 N -1.97 0.53 0.00 0.89 4.07 -1.98 -2.28 115.31 114.57 3ho8 h LEU 143 Ca -0.55 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.45 3ho8 h LEU 143 Cb 1.32 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3ho8 h LEU 143 CO 0.55 0.34 -0.14 1.05 -1.08 0.00 0.00 178.44 179.16 3ho8 h GLU 144 N 0.67 0.00 -0.33 1.13 9.09 -1.99 -2.97 114.58 120.18 3ho8 h GLU 144 Ca 0.31 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.73 3ho8 h GLU 144 Cb 0.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3ho8 h GLU 144 CO -0.20 0.00 0.19 0.45 0.05 0.00 0.00 179.01 179.50 3ho8 h HIS 145 N 0.00 0.35 -0.51 2.06 3.86 -1.76 -1.58 115.15 117.56 3ho8 h HIS 145 Ca 0.00 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3ho8 h HIS 145 Cb 0.78 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 3ho8 h HIS 145 CO 0.00 0.20 0.03 -0.07 0.86 0.00 0.00 177.93 178.95 3ho8 h LEU 146 N 0.38 0.80 -0.08 2.43 3.38 -1.54 -3.13 115.31 117.56 3ho8 h LEU 146 Ca 0.13 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ho8 h LEU 146 Cb 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3ho8 h LEU 146 CO -0.07 0.85 -0.20 -0.78 0.09 0.00 0.00 178.44 178.33 3ho8 h ASP 147 N 0.79 -0.59 0.77 -0.43 -0.00 -1.23 0.14 116.42 115.86 3ho8 h ASP 147 Ca 0.16 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 3ho8 h ASP 147 Cb 0.43 0.26 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 3ho8 h ASP 147 CO 0.02 -0.25 0.00 1.15 -0.00 0.00 0.00 179.24 180.15 3ho8 n MET 148 N -5.33 0.02 0.00 0.28 0.00 -0.66 -3.17 117.12 108.26 3ho8 n MET 148 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.77 3ho8 n MET 148 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.97 3ho8 n MET 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ho8 n PHE 149 N -1.49 0.00 0.94 3.17 0.99 -1.05 -2.49 117.46 117.54 3ho8 n PHE 149 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3ho8 n PHE 149 Cb 0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.74 3ho8 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ho8 n GLY 150 N -0.03 1.45 3.62 1.37 0.00 0.47 -4.80 105.19 107.27 3ho8 n GLY 150 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ho8 n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ho8 s ASP 151 N 0.02 -0.65 -0.02 1.61 2.15 -1.26 -5.08 116.67 113.44 3ho8 s ASP 151 Ca 0.00 1.21 -0.26 0.00 0.43 0.00 0.00 52.55 53.93 3ho8 s ASP 151 Cb 0.00 1.20 -0.20 0.00 -0.30 0.00 0.00 42.92 43.62 3ho8 s ASP 151 CO 0.00 -0.26 1.27 0.50 -0.17 0.00 0.00 175.17 176.51 3ho8 h LYS 152 N 4.55 -0.02 -0.24 4.34 1.63 -1.95 -2.58 116.57 122.30 3ho8 h LYS 152 Ca -0.28 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3ho8 h LYS 152 Cb 1.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 3ho8 h LYS 152 CO 0.10 0.44 0.13 0.28 -3.45 0.00 0.00 179.45 176.95 3ho8 h VAL 153 N -0.49 1.12 -0.28 2.00 2.07 -1.97 -1.28 116.25 117.41 3ho8 h VAL 153 Ca -0.00 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3ho8 h VAL 153 Cb 0.47 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3ho8 h VAL 153 CO 0.00 0.11 -0.16 0.50 0.02 0.00 0.00 177.57 178.04 3ho8 h LYS 154 N 0.28 0.61 -0.58 1.57 1.63 -1.87 -3.14 116.57 115.06 3ho8 h LYS 154 Ca 0.08 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 3ho8 h LYS 154 Cb 0.06 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3ho8 h LYS 154 CO -0.01 0.86 0.32 0.00 -3.45 0.00 0.00 179.45 177.16 3ho8 h ALA 155 N 0.73 0.75 0.00 5.00 0.00 -1.14 -1.02 119.26 123.58 3ho8 h ALA 155 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ho8 h ALA 155 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ho8 h ALA 155 CO 0.05 0.27 0.00 -0.09 0.00 0.00 0.00 179.25 179.47 3ho8 h ARG 156 N 0.79 0.00 0.03 0.00 1.12 -1.22 -0.99 114.38 114.11 3ho8 h ARG 156 Ca 0.20 0.00 -0.39 0.00 -1.11 0.00 0.00 59.98 58.69 3ho8 h ARG 156 Cb 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 29.96 3ho8 h ARG 156 CO -0.03 0.00 -2.33 2.41 -3.11 0.00 0.00 179.97 176.91 3ho8 n THR 157 N -2.79 1.57 -0.31 0.20 -1.04 -0.93 -3.42 114.28 107.56 3ho8 n THR 157 Ca -0.02 -0.56 0.15 0.00 -2.04 0.00 0.00 64.05 61.57 3ho8 n THR 157 Cb 0.06 -1.55 0.38 0.00 -1.82 0.00 0.00 70.33 67.40 3ho8 n THR 157 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3ho8 h THR 158 N -0.09 0.73 -0.13 12.58 2.02 -0.42 0.12 112.91 127.72 3ho8 h THR 158 Ca -0.54 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 3ho8 h THR 158 Cb 1.90 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3ho8 h THR 158 CO -0.07 0.12 -0.11 0.00 0.37 0.00 0.00 175.52 175.82 3ho8 h ALA 159 N 1.62 0.19 -0.60 6.16 0.00 -1.37 -2.28 119.26 122.98 3ho8 h ALA 159 Ca 0.52 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3ho8 h ALA 159 Cb 0.94 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3ho8 h ALA 159 CO -0.28 0.04 0.09 0.82 0.00 0.00 0.00 179.25 179.91 3ho8 h ILE 160 N -0.07 1.25 -0.28 0.00 2.04 -1.29 -1.19 117.51 117.96 3ho8 h ILE 160 Ca 0.02 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 3ho8 h ILE 160 Cb 0.62 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3ho8 h ILE 160 CO 0.03 0.36 0.04 0.11 0.00 0.00 0.00 178.15 178.69 3ho8 h LYS 161 N 0.92 0.41 -1.00 2.37 6.56 -0.86 -2.50 116.57 122.47 3ho8 h LYS 161 Ca 0.19 -0.07 -0.55 0.00 -1.06 0.00 0.00 60.65 59.16 3ho8 h LYS 161 Cb 0.41 -0.07 -0.31 0.00 -0.57 0.00 0.00 32.23 31.69 3ho8 h LYS 161 CO 0.01 0.41 0.70 0.00 -2.06 0.00 0.00 179.45 178.51 3ho8 n ALA 162 N -2.48 5.75 -4.02 3.86 0.00 -0.56 -4.98 120.51 118.09 3ho8 n ALA 162 Ca 0.01 -3.02 -0.44 0.00 0.00 0.00 0.00 53.44 49.99 3ho8 n ALA 162 Cb 0.19 -1.51 0.02 0.00 0.00 0.00 0.00 19.45 18.15 3ho8 n ALA 162 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ho8 n ASP 163 N -1.10 -4.12 -4.16 0.00 5.68 -0.58 -4.79 116.55 107.48 3ho8 n ASP 163 Ca 0.60 -1.25 -0.26 0.00 -0.50 0.00 0.00 54.79 53.38 3ho8 n ASP 163 Cb 1.47 -1.98 -0.16 0.00 -1.14 0.00 0.00 41.12 39.31 3ho8 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3ho8 s LEU 164 N -7.29 1.97 0.73 -2.12 1.43 -0.88 -5.03 118.68 107.49 3ho8 s LEU 164 Ca 0.47 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 3ho8 s LEU 164 Cb -0.24 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.04 3ho8 s LEU 164 CO 0.95 0.19 1.16 -2.16 0.23 0.00 0.00 176.35 176.73 3ho8 s PRO 165 N -0.17 2.24 0.00 1.29 0.04 -1.26 -4.38 135.00 132.76 3ho8 s PRO 165 Ca 0.01 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3ho8 s PRO 165 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3ho8 s PRO 165 CO 0.01 -1.72 0.00 1.33 0.04 0.00 0.00 177.00 176.66 3ho8 n VAL 166 N -2.82 0.00 -1.38 -0.36 0.24 -1.26 -1.88 118.33 110.86 3ho8 n VAL 166 Ca 0.12 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.02 3ho8 n VAL 166 Cb 0.51 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.90 3ho8 n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ho8 n ILE 167 N -0.09 1.30 -1.15 1.34 0.13 -1.26 -4.90 119.36 114.73 3ho8 n ILE 167 Ca 0.00 -0.50 -0.54 0.00 -1.10 0.00 0.00 62.75 60.61 3ho8 n ILE 167 Cb 0.00 -0.36 -0.10 0.00 -0.84 0.00 0.00 39.64 38.33 3ho8 n ILE 167 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 3ho8 n PRO 168 N 0.76 0.00 -3.61 9.51 -0.02 -1.26 -5.14 135.00 135.24 3ho8 n PRO 168 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 3ho8 n PRO 168 Cb 0.43 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 3ho8 n PRO 168 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ho8 s ILE 239 N 5.08 0.00 -0.18 4.25 -1.09 -1.26 -5.33 121.20 122.67 3ho8 s ILE 239 Ca 1.05 -0.15 -0.21 0.00 -2.23 0.00 0.00 60.65 59.11 3ho8 s ILE 239 Cb -1.33 -1.47 0.06 0.00 -1.58 0.00 0.00 42.46 38.14 3ho8 s ILE 239 CO 0.60 0.00 0.57 -0.62 -1.23 0.00 0.00 174.94 174.26 3ho8 s ASP 240 N -2.58 -0.57 -1.64 3.58 3.68 -1.26 -4.94 116.67 112.93 3ho8 s ASP 240 Ca 0.11 1.02 -0.11 0.00 2.13 0.00 0.00 52.55 55.70 3ho8 s ASP 240 Cb 0.01 1.02 0.10 0.00 -1.45 0.00 0.00 42.92 42.61 3ho8 s ASP 240 CO -0.04 -0.27 0.46 0.59 0.13 0.00 0.00 175.17 176.03 3ho8 n ASN 241 N 2.40 -1.20 -4.88 -0.34 5.03 -1.26 -4.91 115.26 110.11 3ho8 n ASN 241 Ca -0.15 -1.14 -0.30 0.00 0.87 0.00 0.00 54.58 53.87 3ho8 n ASN 241 Cb 0.56 -2.25 -0.02 0.00 -1.02 0.00 0.00 39.78 37.05 3ho8 n ASN 241 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3ho8 s PRO 242 N -7.04 3.71 -0.15 3.52 0.04 -1.26 -4.84 135.00 128.98 3ho8 s PRO 242 Ca 0.41 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 3ho8 s PRO 242 Cb -0.23 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3ho8 s PRO 242 CO 0.96 -0.23 0.07 0.15 0.04 0.00 0.00 177.00 177.99 3ho8 s LYS 243 N -4.39 3.63 -0.43 4.56 1.02 0.22 -2.78 119.74 121.56 3ho8 s LYS 243 Ca 0.52 -0.30 -0.25 0.00 0.02 0.00 0.00 55.97 55.96 3ho8 s LYS 243 Cb -0.10 -3.12 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3ho8 s LYS 243 CO 0.39 0.50 0.89 -1.58 -0.92 0.00 0.00 175.35 174.64 3ho8 s HIS 244 N -0.27 2.98 -0.10 3.18 5.65 -1.26 -0.49 115.29 124.99 3ho8 s HIS 244 Ca 0.08 0.46 -0.01 0.00 0.25 0.00 0.00 55.06 55.84 3ho8 s HIS 244 Cb -0.12 -3.81 0.03 0.00 -1.18 0.00 0.00 32.58 27.50 3ho8 s HIS 244 CO 0.01 -0.99 -0.05 0.42 -0.65 0.00 0.00 174.74 173.49 3ho8 s ILE 245 N 3.57 0.79 0.07 0.89 -1.09 -0.99 -1.26 121.20 123.18 3ho8 s ILE 245 Ca 0.36 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 3ho8 s ILE 245 Cb -0.11 -0.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.87 3ho8 s ILE 245 CO 0.23 0.33 -0.12 -1.83 -1.23 0.00 0.00 174.94 172.32 3ho8 s GLU 246 N 1.80 2.17 -0.17 2.79 -1.05 -0.73 -2.42 118.70 121.10 3ho8 s GLU 246 Ca 0.05 -0.96 -0.01 0.00 -0.15 0.00 0.00 54.97 53.90 3ho8 s GLU 246 Cb -0.12 -2.30 -0.00 0.00 -0.44 0.00 0.00 34.13 31.27 3ho8 s GLU 246 CO -0.07 0.53 -0.13 0.08 0.95 0.00 0.00 175.26 176.62 3ho8 s VAL 247 N -1.08 2.79 -0.08 1.83 1.01 -0.59 -0.00 120.40 124.28 3ho8 s VAL 247 Ca 0.18 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 3ho8 s VAL 247 Cb -0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3ho8 s VAL 247 CO 0.10 0.50 0.70 -1.58 0.00 0.00 0.00 175.10 174.81 3ho8 s GLN 248 N 1.03 4.41 -0.05 2.72 2.00 -0.64 -2.09 119.66 127.04 3ho8 s GLN 248 Ca -0.01 0.86 0.04 0.00 -2.00 0.00 0.00 55.36 54.26 3ho8 s GLN 248 Cb -0.15 -3.46 -0.00 0.00 0.80 0.00 0.00 33.01 30.20 3ho8 s GLN 248 CO -0.03 0.02 -0.18 0.08 -0.50 0.00 0.00 175.29 174.69 3ho8 s VAL 249 N 0.94 1.53 -0.13 1.34 1.01 -0.48 -1.17 120.40 123.44 3ho8 s VAL 249 Ca 0.37 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3ho8 s VAL 249 Cb -0.17 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.91 3ho8 s VAL 249 CO 0.17 0.44 -0.12 -0.63 0.00 0.00 0.00 175.10 174.96 3ho8 s ILE 250 N 0.07 1.34 0.16 2.22 -1.09 -0.65 -0.94 121.20 122.30 3ho8 s ILE 250 Ca -0.05 -0.50 0.10 0.00 -2.23 0.00 0.00 60.65 57.98 3ho8 s ILE 250 Cb -0.12 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 3ho8 s ILE 250 CO 0.03 0.42 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.11 3ho8 s GLY 251 N 1.48 1.68 0.00 6.18 0.00 0.01 -1.96 107.32 114.70 3ho8 s GLY 251 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3ho8 s GLY 251 CO -0.08 -1.52 0.00 2.09 0.00 0.00 0.00 173.10 173.59 3ho8 n ASP 252 N 0.50 0.54 -2.23 1.64 3.85 -0.99 0.36 116.55 120.23 3ho8 n ASP 252 Ca -0.14 -0.38 -0.31 0.00 -0.71 0.00 0.00 54.79 53.25 3ho8 n ASP 252 Cb 0.54 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.37 3ho8 n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3ho8 n GLU 253 N -0.27 3.05 -0.53 0.11 1.02 -1.26 -4.41 120.64 118.34 3ho8 n GLU 253 Ca 0.00 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.50 3ho8 n GLU 253 Cb 0.00 -2.29 -0.00 0.00 -0.02 0.00 0.00 31.44 29.13 3ho8 n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3ho8 n HIS 254 N -0.83 0.00 0.00 -0.32 8.25 -1.26 -5.00 115.22 116.06 3ho8 n HIS 254 Ca 0.55 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 3ho8 n HIS 254 Cb 0.77 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3ho8 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ho8 n GLY 255 N 0.01 2.76 3.77 -1.41 0.00 -1.26 -5.05 105.19 104.01 3ho8 n GLY 255 Ca -0.00 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3ho8 n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ho8 s ASN 256 N 0.00 6.33 -0.12 1.61 -0.87 -1.26 -4.93 114.94 115.70 3ho8 s ASN 256 Ca 0.00 2.42 -0.10 0.00 -1.57 0.00 0.00 52.86 53.61 3ho8 s ASN 256 Cb 0.00 -2.62 0.03 0.00 -0.02 0.00 0.00 41.25 38.65 3ho8 s ASN 256 CO 0.00 -0.82 0.30 -0.63 -2.57 0.00 0.00 177.10 173.38 3ho8 s ILE 257 N -1.41 -0.01 0.12 0.60 1.01 -1.26 -2.34 121.20 117.92 3ho8 s ILE 257 Ca 0.59 0.02 0.04 0.00 0.00 0.00 0.00 60.65 61.31 3ho8 s ILE 257 Cb -0.32 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3ho8 s ILE 257 CO 0.40 0.01 -0.10 0.68 0.00 0.00 0.00 174.94 175.93 3ho8 s VAL 258 N 0.37 1.03 -0.02 2.92 -7.23 -0.83 -5.00 120.40 111.65 3ho8 s VAL 258 Ca -0.02 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3ho8 s VAL 258 Cb -0.03 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 3ho8 s VAL 258 CO -0.02 -0.64 -0.02 -1.38 -0.31 0.00 0.00 175.10 172.73 3ho8 s HIS 259 N -2.83 3.03 -0.55 2.82 -3.43 -1.26 -1.64 115.29 111.43 3ho8 s HIS 259 Ca 0.10 0.06 0.01 0.00 -0.80 0.00 0.00 55.06 54.44 3ho8 s HIS 259 Cb -0.00 -1.68 0.49 0.00 -1.43 0.00 0.00 32.58 29.96 3ho8 s HIS 259 CO 0.00 0.43 1.85 1.28 -2.00 0.00 0.00 174.74 176.30 3ho8 n LEU 260 N 1.63 6.87 0.00 5.38 4.77 -0.31 -5.01 117.00 130.33 3ho8 n LEU 260 Ca -0.16 -4.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 3ho8 n LEU 260 Cb 0.53 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3ho8 n LEU 260 CO 0.32 1.48 0.00 0.49 -1.33 0.00 0.00 177.39 178.34 3ho8 n PHE 261 N -0.95 -0.42 -4.43 -1.77 3.01 -1.26 -4.77 117.46 106.87 3ho8 n PHE 261 Ca 0.57 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.83 3ho8 n PHE 261 Cb 0.91 0.12 -0.11 0.00 -0.01 0.00 0.00 39.48 40.39 3ho8 n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3ho8 s GLU 262 N 0.00 1.60 -0.01 -1.08 1.03 -1.26 -1.63 118.70 117.35 3ho8 s GLU 262 Ca 0.00 -1.87 0.02 0.00 0.03 0.00 0.00 54.97 53.15 3ho8 s GLU 262 Cb 0.00 -0.86 0.00 0.00 -0.80 0.00 0.00 34.13 32.47 3ho8 s GLU 262 CO 0.00 -0.15 -0.06 1.03 -1.33 0.00 0.00 175.26 174.74 3ho8 s ARG 263 N -3.87 0.61 -0.34 -4.83 0.52 1.00 -4.30 118.95 107.74 3ho8 s ARG 263 Ca 0.35 -0.22 -0.20 0.00 -0.52 0.00 0.00 55.73 55.14 3ho8 s ARG 263 Cb 0.08 -0.60 -0.00 0.00 0.52 0.00 0.00 34.95 34.94 3ho8 s ARG 263 CO 0.14 0.10 0.62 0.34 0.02 0.00 0.00 175.30 176.53 3ho8 s ASP 264 N 0.05 6.44 -0.22 0.23 3.68 0.26 -1.77 116.67 125.34 3ho8 s ASP 264 Ca -0.00 0.24 0.11 0.00 2.13 0.00 0.00 52.55 55.02 3ho8 s ASP 264 Cb -0.05 -2.32 0.43 0.00 -1.45 0.00 0.00 42.92 39.53 3ho8 s ASP 264 CO -0.00 -0.54 1.28 0.00 0.13 0.00 0.00 175.17 176.04 3ho8 h SER 266 N 0.95 0.00 -0.99 0.00 0.02 -1.79 -3.39 113.55 108.35 3ho8 h SER 266 Ca 0.05 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.49 3ho8 h SER 266 Cb 1.17 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 3ho8 h SER 266 CO 0.10 0.00 1.32 -0.69 -1.14 0.00 0.00 176.83 176.42 3ho8 s VAL 267 N -3.24 3.80 0.03 2.27 1.01 -1.24 -3.33 120.40 119.70 3ho8 s VAL 267 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ho8 s VAL 267 Cb 0.09 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 3ho8 s VAL 267 CO 0.57 -1.67 -0.05 0.00 0.00 0.00 0.00 175.10 173.95 3ho8 s GLN 268 N 5.50 0.44 -0.19 2.72 -2.07 -1.26 -1.05 119.66 123.75 3ho8 s GLN 268 Ca 0.53 -0.75 -0.16 0.00 -1.82 0.00 0.00 55.36 53.16 3ho8 s GLN 268 Cb -0.02 -0.04 -0.11 0.00 -1.09 0.00 0.00 33.01 31.75 3ho8 s GLN 268 CO -0.07 -0.02 -0.04 2.89 -1.32 0.00 0.00 175.29 176.74 3ho8 n ARG 269 N 1.34 0.52 0.00 9.60 1.85 -0.91 -4.44 116.66 124.62 3ho8 n ARG 269 Ca -0.22 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3ho8 n ARG 269 Cb 0.56 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 3ho8 n ARG 269 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3ho8 n ARG 270 N -4.48 0.00 -1.34 2.89 3.00 -1.26 -4.80 116.66 110.66 3ho8 n ARG 270 Ca -0.24 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.43 3ho8 n ARG 270 Cb 0.54 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.11 3ho8 n ARG 270 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3ho8 n HIS 271 N -1.30 2.12 -3.57 -0.14 8.25 -1.26 -5.01 115.22 114.32 3ho8 n HIS 271 Ca 0.00 -2.12 -0.07 0.00 -0.26 0.00 0.00 57.72 55.27 3ho8 n HIS 271 Cb 0.00 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.43 3ho8 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3ho8 s GLN 272 N -3.49 0.51 0.25 -0.41 0.74 -1.26 -5.16 119.66 110.84 3ho8 s GLN 272 Ca 0.51 -0.08 -0.24 0.00 0.05 0.00 0.00 55.36 55.60 3ho8 s GLN 272 Cb 0.43 0.24 -0.09 0.00 1.10 0.00 0.00 33.01 34.69 3ho8 s GLN 272 CO 0.01 -0.20 0.84 0.15 -0.55 0.00 0.00 175.29 175.54 3ho8 s LYS 273 N -2.12 4.49 -0.15 1.67 1.02 -1.26 -2.15 119.74 121.25 3ho8 s LYS 273 Ca 0.05 1.16 -0.05 0.00 0.02 0.00 0.00 55.97 57.14 3ho8 s LYS 273 Cb -0.01 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.28 3ho8 s LYS 273 CO -0.05 0.39 -0.18 0.28 -0.92 0.00 0.00 175.35 174.88 3ho8 n VAL 274 N 0.88 0.82 -4.27 3.17 0.31 -0.22 -4.92 118.33 114.11 3ho8 n VAL 274 Ca -0.01 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 3ho8 n VAL 274 Cb 0.50 -1.53 -0.16 0.00 -0.91 0.00 0.00 33.84 31.74 3ho8 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ho8 s VAL 275 N -2.27 0.65 0.03 2.52 1.01 -1.03 -3.89 120.40 117.42 3ho8 s VAL 275 Ca -0.20 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3ho8 s VAL 275 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3ho8 s VAL 275 CO 0.28 0.24 -0.23 -1.61 0.00 0.00 0.00 175.10 173.77 3ho8 s GLU 276 N 0.64 1.67 -0.02 2.72 8.01 -1.11 -3.73 118.70 126.88 3ho8 s GLU 276 Ca -0.09 -0.98 0.06 0.00 0.01 0.00 0.00 54.97 53.97 3ho8 s GLU 276 Cb -0.13 -1.76 -0.02 0.00 -4.31 0.00 0.00 34.13 27.92 3ho8 s GLU 276 CO 0.01 0.46 -0.21 0.08 0.01 0.00 0.00 175.26 175.61 3ho8 s VAL 277 N -0.73 1.63 -0.05 2.63 1.01 -0.27 -0.54 120.40 124.07 3ho8 s VAL 277 Ca 0.09 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3ho8 s VAL 277 Cb -0.09 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3ho8 s VAL 277 CO 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 3ho8 s ALA 278 N -0.45 0.80 0.82 5.51 0.00 0.06 0.93 121.76 129.42 3ho8 s ALA 278 Ca 0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 3ho8 s ALA 278 Cb -0.08 -0.50 0.08 0.00 0.00 0.00 0.00 23.12 22.62 3ho8 s ALA 278 CO -0.01 -0.06 1.16 -1.25 0.00 0.00 0.00 175.76 175.61 3ho8 s PRO 279 N 1.02 1.90 0.32 0.00 0.04 -1.26 -1.33 135.00 135.68 3ho8 s PRO 279 Ca -0.09 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 3ho8 s PRO 279 Cb -0.14 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 3ho8 s PRO 279 CO -0.00 -1.66 1.51 0.45 0.04 0.00 0.00 177.00 177.34 3ho8 n SER 280 N -3.38 3.62 -4.86 6.66 2.88 -1.26 -4.82 113.62 112.47 3ho8 n SER 280 Ca 0.08 1.18 -0.32 0.00 -1.33 0.00 0.00 58.87 58.47 3ho8 n SER 280 Cb 0.60 -1.58 -0.06 0.00 -0.75 0.00 0.00 64.21 62.43 3ho8 n SER 280 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ho8 s VAL 281 N -0.47 4.74 0.00 2.46 1.01 -1.26 -4.35 120.40 122.53 3ho8 s VAL 281 Ca 0.60 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3ho8 s VAL 281 Cb -0.51 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3ho8 s VAL 281 CO 0.55 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3ho8 n GLY 282 N -0.45 2.12 3.78 4.51 0.00 -1.26 -4.63 105.19 109.26 3ho8 n GLY 282 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3ho8 n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ho8 s LEU 283 N 0.00 4.48 0.97 0.99 1.43 -1.26 -4.98 118.68 120.31 3ho8 s LEU 283 Ca 0.00 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 3ho8 s LEU 283 Cb 0.00 -2.99 0.17 0.00 0.03 0.00 0.00 46.19 43.41 3ho8 s LEU 283 CO 0.00 0.16 1.18 -0.94 0.23 0.00 0.00 176.35 176.99 3ho8 s SER 284 N -0.59 3.05 0.03 2.29 1.04 -1.26 -4.90 113.70 113.36 3ho8 s SER 284 Ca 0.32 0.71 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 3ho8 s SER 284 Cb -0.19 -1.09 -0.17 0.00 0.10 0.00 0.00 66.02 64.67 3ho8 s SER 284 CO 0.19 -2.81 1.30 1.55 0.98 0.00 0.00 173.24 174.46 3ho8 h PRO 285 N -1.68 -0.90 -0.16 4.02 0.13 -2.01 -3.09 132.00 128.31 3ho8 h PRO 285 Ca -0.48 0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3ho8 h PRO 285 Cb 1.30 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.63 3ho8 h PRO 285 CO 0.51 -0.57 0.18 1.79 -0.23 0.00 0.00 178.00 179.68 3ho8 h THR 286 N -1.13 0.49 0.11 1.56 1.35 -1.99 -2.89 112.91 110.42 3ho8 h THR 286 Ca -0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.61 3ho8 h THR 286 Cb 0.74 0.86 0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3ho8 h THR 286 CO 0.16 0.00 -0.68 0.25 -0.25 0.00 0.00 175.52 175.00 3ho8 h LEU 287 N 0.00 0.37 -0.48 3.87 6.46 -1.92 0.24 115.31 123.85 3ho8 h LEU 287 Ca 0.08 -0.96 -0.12 0.00 -0.12 0.00 0.00 57.88 56.76 3ho8 h LEU 287 Cb 0.43 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3ho8 h LEU 287 CO -0.00 1.33 -0.18 0.08 -0.62 0.00 0.00 178.44 179.04 3ho8 h ARG 288 N -0.50 0.97 -0.05 1.25 0.11 -1.58 -1.66 114.38 112.93 3ho8 h ARG 288 Ca -0.12 -0.40 0.03 0.00 0.10 0.00 0.00 59.98 59.59 3ho8 h ARG 288 Cb 1.52 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.50 3ho8 h ARG 288 CO 0.12 1.07 -0.43 1.96 0.10 0.00 0.00 179.97 182.79 3ho8 h GLN 289 N 0.82 -0.53 -0.63 0.08 1.08 -1.53 0.53 115.11 114.92 3ho8 h GLN 289 Ca 0.11 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 3ho8 h GLN 289 Cb 0.76 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 3ho8 h GLN 289 CO 0.06 -0.36 0.36 0.00 -0.95 0.00 0.00 178.83 177.95 3ho8 h ARG 290 N -0.56 0.67 0.12 1.46 3.08 -0.47 0.90 114.38 119.59 3ho8 h ARG 290 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ho8 h ARG 290 Cb 0.65 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3ho8 h ARG 290 CO -0.35 0.45 -0.08 0.82 -1.07 0.00 0.00 179.97 179.74 3ho8 h ILE 291 N 0.70 0.83 -0.94 2.04 2.04 -1.04 -1.53 117.51 119.61 3ho8 h ILE 291 Ca 0.27 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 3ho8 h ILE 291 Cb 0.11 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3ho8 h ILE 291 CO -0.14 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.63 3ho8 h ASP 293 N 1.21 0.67 -0.41 0.00 3.45 -0.69 0.41 116.42 121.06 3ho8 h ASP 293 Ca 0.37 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 3ho8 h ASP 293 Cb -0.03 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 3ho8 h ASP 293 CO -0.11 0.59 0.25 0.00 -1.57 0.00 0.00 179.24 178.40 3ho8 h ALA 294 N 1.11 1.63 0.15 3.45 0.00 -0.60 0.50 119.26 125.50 3ho8 h ALA 294 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ho8 h ALA 294 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ho8 h ALA 294 CO -0.03 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 3ho8 h ALA 295 N 1.69 -0.21 -0.44 0.00 0.00 -0.54 -2.95 119.26 116.82 3ho8 h ALA 295 Ca 0.15 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ho8 h ALA 295 Cb -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 3ho8 h ALA 295 CO -0.03 -0.48 -0.19 0.82 0.00 0.00 0.00 179.25 179.38 3ho8 h ILE 296 N -0.49 0.42 -1.03 0.00 1.08 -0.48 -2.59 117.51 114.43 3ho8 h ILE 296 Ca -0.02 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.76 3ho8 h ILE 296 Cb 0.38 0.42 -0.14 0.00 -3.07 0.00 0.00 36.82 34.41 3ho8 h ILE 296 CO 0.03 0.00 0.60 -0.61 -0.69 0.00 0.00 178.15 177.49 3ho8 h GLN 297 N -0.10 0.35 0.00 2.37 4.15 0.10 0.20 115.11 122.18 3ho8 h GLN 297 Ca 0.21 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3ho8 h GLN 297 Cb 0.42 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3ho8 h GLN 297 CO -0.50 0.23 -0.09 1.25 -1.93 0.00 0.00 178.83 177.80 3ho8 h LEU 298 N 0.36 0.00 -1.09 -2.39 5.85 -1.29 -2.09 115.31 114.67 3ho8 h LEU 298 Ca 0.71 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ho8 h LEU 298 Cb 1.64 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 3ho8 h LEU 298 CO -0.54 0.97 -0.02 0.24 -0.34 0.00 0.00 178.44 178.75 3ho8 h MET 299 N -1.00 0.00 0.00 1.25 0.00 -1.39 -1.31 114.93 112.48 3ho8 h MET 299 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 59.70 59.63 3ho8 h MET 299 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.49 3ho8 h MET 299 CO -0.01 0.02 -0.34 1.49 0.00 0.00 0.00 176.91 178.07 3ho8 h GLU 300 N 0.00 0.00 -0.10 1.72 4.81 -0.70 -0.40 114.58 119.92 3ho8 h GLU 300 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 3ho8 h GLU 300 Cb 0.65 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.04 3ho8 h GLU 300 CO 0.00 0.22 -0.85 -0.97 -0.73 0.00 0.00 179.01 176.68 3ho8 h ASN 301 N 0.00 0.92 -0.42 1.04 -1.24 -0.53 -3.32 115.58 112.03 3ho8 h ASN 301 Ca -0.01 -0.67 -0.10 0.00 0.71 0.00 0.00 56.30 56.23 3ho8 h ASN 301 Cb 1.19 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 39.90 3ho8 h ASN 301 CO 0.03 1.45 0.06 2.30 -1.29 0.00 0.00 177.43 179.97 3ho8 n ILE 302 N -3.93 2.54 -4.02 2.57 -6.64 -0.72 -5.00 119.36 104.15 3ho8 n ILE 302 Ca -0.09 -2.00 -0.42 0.00 -1.77 0.00 0.00 62.75 58.47 3ho8 n ILE 302 Cb 0.78 -0.30 0.02 0.00 -1.44 0.00 0.00 39.64 38.70 3ho8 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3ho8 n LYS 303 N -0.53 -0.52 -1.71 6.28 5.02 -1.02 -4.88 118.16 120.81 3ho8 n LYS 303 Ca 0.29 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 3ho8 n LYS 303 Cb 1.07 -2.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3ho8 n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3ho8 s TYR 304 N -3.40 2.36 0.03 2.13 6.14 -0.19 -5.02 117.35 119.40 3ho8 s TYR 304 Ca 0.38 1.57 0.07 0.00 0.64 0.00 0.00 57.07 59.73 3ho8 s TYR 304 Cb -0.21 -3.35 -0.02 0.00 0.42 0.00 0.00 41.96 38.80 3ho8 s TYR 304 CO 0.96 -2.12 -0.20 0.08 0.64 0.00 0.00 175.55 174.90 3ho8 s VAL 305 N -2.04 1.61 0.00 3.14 1.01 -1.26 -4.53 120.40 118.33 3ho8 s VAL 305 Ca 0.72 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3ho8 s VAL 305 Cb -0.26 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3ho8 s VAL 305 CO 0.41 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.54 3ho8 n ASN 306 N 1.99 0.00 -4.64 3.32 4.05 1.12 -3.73 115.26 117.38 3ho8 n ASN 306 Ca -0.17 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.49 3ho8 n ASN 306 Cb 0.53 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.44 3ho8 n ASN 306 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ho8 s ALA 307 N -1.60 3.58 0.27 5.20 0.00 -1.26 -0.81 121.76 127.13 3ho8 s ALA 307 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3ho8 s ALA 307 Cb 0.00 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 3ho8 s ALA 307 CO 0.00 -0.26 0.35 0.20 0.00 0.00 0.00 175.76 176.05 3ho8 s GLY 308 N 1.18 1.31 -0.07 0.00 0.00 -0.12 -3.18 107.32 106.44 3ho8 s GLY 308 Ca 0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 3ho8 s GLY 308 CO 0.06 -1.07 0.15 -1.59 0.00 0.00 0.00 173.10 170.65 3ho8 s THR 309 N -3.69 -0.15 -0.35 0.90 2.01 -0.93 -1.38 115.64 112.04 3ho8 s THR 309 Ca 0.32 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.42 3ho8 s THR 309 Cb 0.02 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 3ho8 s THR 309 CO 0.16 0.11 0.47 -0.69 -0.69 0.00 0.00 174.62 173.98 3ho8 s VAL 310 N 1.72 5.06 0.11 3.82 1.01 -0.89 -0.86 120.40 130.37 3ho8 s VAL 310 Ca -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3ho8 s VAL 310 Cb -0.12 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3ho8 s VAL 310 CO -0.06 -0.20 0.39 -1.61 0.00 0.00 0.00 175.10 173.62 3ho8 s GLU 311 N 2.28 3.68 0.01 2.72 2.02 0.14 -1.54 118.70 128.00 3ho8 s GLU 311 Ca 0.16 0.04 -0.04 0.00 0.02 0.00 0.00 54.97 55.15 3ho8 s GLU 311 Cb -0.16 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 3ho8 s GLU 311 CO 0.13 0.51 0.06 -0.06 0.02 0.00 0.00 175.26 175.93 3ho8 s PHE 312 N -1.53 0.12 -0.10 1.61 0.40 -1.01 -0.78 117.98 116.69 3ho8 s PHE 312 Ca 0.37 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 56.34 3ho8 s PHE 312 Cb -0.13 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.26 3ho8 s PHE 312 CO 0.21 -0.23 0.19 -1.17 0.70 0.00 0.00 175.22 174.91 3ho8 s LEU 313 N -1.32 4.40 -0.08 -0.37 2.96 0.11 -2.33 118.68 122.05 3ho8 s LEU 313 Ca -0.14 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3ho8 s LEU 313 Cb -0.08 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.47 3ho8 s LEU 313 CO 0.00 0.39 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.63 3ho8 s VAL 314 N -1.01 1.12 -0.38 1.68 1.01 0.36 0.01 120.40 123.19 3ho8 s VAL 314 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3ho8 s VAL 314 Cb -0.13 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.34 3ho8 s VAL 314 CO 0.05 0.36 0.24 -0.55 0.00 0.00 0.00 175.10 175.21 3ho8 s SER 315 N 0.99 2.86 1.08 3.32 0.15 0.94 0.70 113.70 123.74 3ho8 s SER 315 Ca -0.08 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.15 3ho8 s SER 315 Cb -0.15 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 3ho8 s SER 315 CO -0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3ho8 n GLY 317 N 3.75 1.57 0.53 9.45 0.00 -1.26 -2.85 105.19 116.37 3ho8 n GLY 317 Ca 0.14 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3ho8 n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ho8 n ASP 318 N 8.03 1.59 -4.84 1.61 9.92 -1.26 -4.90 116.55 126.71 3ho8 n ASP 318 Ca 0.00 -1.65 -0.37 0.00 -0.53 0.00 0.00 54.79 52.24 3ho8 n ASP 318 Cb 0.00 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.34 3ho8 n ASP 318 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3ho8 s GLU 319 N -1.85 3.97 -0.04 -1.24 0.41 -1.13 -5.10 118.70 113.71 3ho8 s GLU 319 Ca 0.34 0.46 -0.12 0.00 -0.41 0.00 0.00 54.97 55.24 3ho8 s GLU 319 Cb 0.18 -3.12 0.02 0.00 -1.78 0.00 0.00 34.13 29.44 3ho8 s GLU 319 CO 0.28 0.61 0.27 -0.59 -0.49 0.00 0.00 175.26 175.34 3ho8 s PHE 320 N -1.23 -0.19 0.01 1.61 -0.12 -1.26 -0.04 117.98 116.75 3ho8 s PHE 320 Ca 0.30 0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 57.54 3ho8 s PHE 320 Cb -0.16 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 3ho8 s PHE 320 CO 0.17 -0.29 0.01 -0.06 -0.05 0.00 0.00 175.22 175.00 3ho8 s PHE 321 N -0.81 0.13 0.23 3.49 0.40 0.10 -4.74 117.98 116.79 3ho8 s PHE 321 Ca -0.09 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 3ho8 s PHE 321 Cb -0.05 -0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.29 3ho8 s PHE 321 CO 0.02 -0.14 1.27 0.12 0.70 0.00 0.00 175.22 177.20 3ho8 s PHE 322 N -0.93 3.27 -0.01 0.36 2.19 -0.79 0.08 117.98 122.16 3ho8 s PHE 322 Ca -0.10 1.33 -0.04 0.00 0.33 0.00 0.00 56.93 58.45 3ho8 s PHE 322 Cb -0.06 -3.56 -0.01 0.00 -1.31 0.00 0.00 43.02 38.07 3ho8 s PHE 322 CO -0.00 -1.66 -0.08 -0.89 1.83 0.00 0.00 175.22 174.41 3ho8 n ILE 323 N 2.10 0.74 -3.89 3.12 2.08 0.04 -4.78 119.36 118.76 3ho8 n ILE 323 Ca 0.04 0.26 -0.08 0.00 0.56 0.00 0.00 62.75 63.53 3ho8 n ILE 323 Cb 0.43 -1.60 -0.03 0.00 -0.75 0.00 0.00 39.64 37.69 3ho8 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3ho8 s GLU 324 N -1.76 1.75 -0.04 0.38 -1.05 -1.23 -4.91 118.70 111.84 3ho8 s GLU 324 Ca -0.07 -1.07 0.05 0.00 -0.15 0.00 0.00 54.97 53.72 3ho8 s GLU 324 Cb 0.01 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 3ho8 s GLU 324 CO 0.10 -0.79 -0.17 0.08 0.95 0.00 0.00 175.26 175.44 3ho8 s VAL 325 N -3.88 2.86 -0.67 1.83 1.01 -1.26 0.23 120.40 120.51 3ho8 s VAL 325 Ca 0.14 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3ho8 s VAL 325 Cb -0.05 -2.10 0.18 0.00 0.00 0.00 0.00 36.38 34.41 3ho8 s VAL 325 CO 0.08 0.59 0.54 0.20 0.00 0.00 0.00 175.10 176.51 3ho8 s ASN 326 N -0.72 5.87 0.00 3.32 0.01 -0.04 -4.94 114.94 118.43 3ho8 s ASN 326 Ca 0.11 -2.65 0.00 0.00 -0.71 0.00 0.00 52.86 49.61 3ho8 s ASN 326 Cb -0.10 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.55 3ho8 s ASN 326 CO 0.00 -0.49 0.68 -0.81 -1.51 0.00 0.00 177.10 174.97 3ho8 n PRO 327 N 3.89 0.52 -3.57 -0.60 -0.04 -1.26 -2.19 135.00 131.75 3ho8 n PRO 327 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 3ho8 n PRO 327 Cb 0.42 -1.24 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3ho8 n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3ho8 n ARG 328 N 1.05 0.89 -1.33 0.54 -4.01 -1.19 -4.57 116.66 108.04 3ho8 n ARG 328 Ca 0.00 -1.80 -0.36 0.00 -1.04 0.00 0.00 57.85 54.65 3ho8 n ARG 328 Cb 0.26 2.30 0.08 0.00 -3.04 0.00 0.00 32.46 32.05 3ho8 n ARG 328 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3ho8 n VAL 329 N -0.55 2.38 -4.71 8.89 0.31 -1.26 -4.50 118.33 118.90 3ho8 n VAL 329 Ca -0.06 -0.39 -0.29 0.00 -0.01 0.00 0.00 64.34 63.59 3ho8 n VAL 329 Cb 0.54 -0.93 -0.14 0.00 -0.91 0.00 0.00 33.84 32.40 3ho8 n VAL 329 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ho8 s GLN 330 N -3.02 1.61 0.33 5.55 -0.21 -1.26 -4.63 119.66 118.02 3ho8 s GLN 330 Ca 0.70 -1.15 0.11 0.00 0.02 0.00 0.00 55.36 55.03 3ho8 s GLN 330 Cb -0.35 -1.86 0.97 0.00 1.00 0.00 0.00 33.01 32.76 3ho8 s GLN 330 CO 0.54 0.47 1.68 -0.39 -2.12 0.00 0.00 175.29 175.46 3ho8 h VAL 331 N 4.14 0.36 -0.32 1.09 -1.51 -2.00 0.66 116.25 118.67 3ho8 h VAL 331 Ca -0.47 -0.12 -0.19 0.00 -1.23 0.00 0.00 66.70 64.69 3ho8 h VAL 331 Cb 1.15 -0.03 -0.10 0.00 -2.13 0.00 0.00 31.29 30.18 3ho8 h VAL 331 CO 0.42 0.07 0.24 -1.84 -1.23 0.00 0.00 177.57 175.23 3ho8 n GLU 332 N -5.05 1.45 0.04 5.19 0.00 -1.26 -4.06 120.64 116.95 3ho8 n GLU 332 Ca 0.29 -0.99 0.10 0.00 0.00 0.00 0.00 57.16 56.55 3ho8 n GLU 332 Cb 0.87 -1.39 0.41 0.00 0.00 0.00 0.00 31.44 31.33 3ho8 n GLU 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 3ho8 n HIS 333 N 0.29 0.25 -0.03 -1.84 1.44 0.22 -4.08 115.22 111.47 3ho8 n HIS 333 Ca 0.19 0.09 -0.16 0.00 -2.01 0.00 0.00 57.72 55.83 3ho8 n HIS 333 Cb 0.74 -0.65 -0.08 0.00 0.12 0.00 0.00 29.99 30.12 3ho8 n HIS 333 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 3ho8 h THR 334 N 0.00 1.35 -0.31 0.61 2.02 -1.83 -3.00 112.91 111.75 3ho8 h THR 334 Ca 0.00 -1.84 -0.18 0.00 0.77 0.00 0.00 66.41 65.16 3ho8 h THR 334 Cb 0.35 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3ho8 h THR 334 CO 0.00 0.56 -0.51 0.16 0.37 0.00 0.00 175.52 176.10 3ho8 h ILE 335 N 0.21 1.28 0.00 3.11 3.07 -1.93 -2.61 117.51 120.64 3ho8 h ILE 335 Ca -0.03 -1.69 -0.00 0.00 1.55 0.00 0.00 64.86 64.68 3ho8 h ILE 335 Cb 1.18 1.57 -0.00 0.00 -0.27 0.00 0.00 36.82 39.31 3ho8 h ILE 335 CO 0.11 0.55 -0.00 0.74 -1.05 0.00 0.00 178.15 178.51 3ho8 h THR 336 N 0.68 0.81 -0.08 0.16 2.02 -1.78 -0.82 112.91 113.90 3ho8 h THR 336 Ca 0.03 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 3ho8 h THR 336 Cb 1.11 1.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3ho8 h THR 336 CO 0.11 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.16 3ho8 h GLU 337 N 0.00 0.49 -0.21 6.66 5.08 -1.33 -2.83 114.58 122.44 3ho8 h GLU 337 Ca -0.00 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 3ho8 h GLU 337 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ho8 h GLU 337 CO 0.00 1.05 -0.51 0.52 -1.00 0.00 0.00 179.01 179.07 3ho8 h MET 338 N 0.06 0.58 0.00 2.33 2.86 -0.84 0.63 114.93 120.55 3ho8 h MET 338 Ca -0.04 -0.35 -0.23 0.00 -2.06 0.00 0.00 59.70 57.03 3ho8 h MET 338 Cb 1.17 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 3ho8 h MET 338 CO 0.10 0.95 -1.28 -0.39 1.06 0.00 0.00 176.91 177.36 3ho8 h VAL 339 N 0.45 1.13 0.05 -2.22 -1.51 -1.36 -3.35 116.25 109.44 3ho8 h VAL 339 Ca 0.02 -2.83 -0.36 0.00 -1.23 0.00 0.00 66.70 62.30 3ho8 h VAL 339 Cb 1.05 2.53 -0.05 0.00 -2.13 0.00 0.00 31.29 32.69 3ho8 h VAL 339 CO 0.10 0.64 -2.14 0.35 -1.23 0.00 0.00 177.57 175.29 3ho8 n THR 340 N -3.16 1.61 -0.26 7.19 -2.24 -1.07 -0.91 114.28 115.45 3ho8 n THR 340 Ca -0.08 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3ho8 n THR 340 Cb 0.95 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3ho8 n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ho8 n GLY 341 N 1.95 0.87 3.79 3.38 0.00 0.22 -4.74 105.19 110.66 3ho8 n GLY 341 Ca -0.33 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3ho8 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ho8 s ILE 342 N -2.00 5.32 -0.63 -0.61 1.09 -1.16 -4.98 121.20 118.23 3ho8 s ILE 342 Ca 0.00 0.47 -0.22 0.00 -1.10 0.00 0.00 60.65 59.80 3ho8 s ILE 342 Cb 0.00 -3.57 0.07 0.00 -1.06 0.00 0.00 42.46 37.91 3ho8 s ILE 342 CO 0.00 0.49 0.91 -0.62 -0.10 0.00 0.00 174.94 175.62 3ho8 s ASP 343 N -0.20 6.19 0.05 3.58 3.68 -1.26 -4.31 116.67 124.41 3ho8 s ASP 343 Ca 0.16 -0.98 -0.34 0.00 2.13 0.00 0.00 52.55 53.53 3ho8 s ASP 343 Cb -0.13 -2.40 -0.19 0.00 -1.45 0.00 0.00 42.92 38.75 3ho8 s ASP 343 CO 0.05 -1.36 1.50 0.40 0.13 0.00 0.00 175.17 175.89 3ho8 h ILE 344 N 5.97 0.00 0.12 4.11 2.04 -1.96 -1.80 117.51 125.98 3ho8 h ILE 344 Ca -0.29 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3ho8 h ILE 344 Cb 1.07 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3ho8 h ILE 344 CO 1.15 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 179.72 3ho8 h VAL 345 N -1.21 0.63 -0.38 1.67 2.07 -1.97 0.78 116.25 117.83 3ho8 h VAL 345 Ca -0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3ho8 h VAL 345 Cb 0.93 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3ho8 h VAL 345 CO 0.20 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.30 3ho8 h LYS 346 N -0.34 0.11 -0.29 1.57 3.64 -1.91 0.22 116.57 119.58 3ho8 h LYS 346 Ca 0.02 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3ho8 h LYS 346 Cb 0.34 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3ho8 h LYS 346 CO -0.07 0.07 0.06 1.15 -2.27 0.00 0.00 179.45 178.38 3ho8 h THR 347 N 0.11 0.86 -0.58 1.00 2.02 -0.96 -0.30 112.91 115.06 3ho8 h THR 347 Ca 0.19 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.40 3ho8 h THR 347 Cb 0.26 0.69 -0.11 0.00 -1.74 0.00 0.00 68.15 67.25 3ho8 h THR 347 CO -0.31 0.03 -0.41 -0.61 0.37 0.00 0.00 175.52 174.59 3ho8 h GLN 348 N 0.16 -0.20 -0.51 6.66 4.15 0.13 0.14 115.11 125.63 3ho8 h GLN 348 Ca 0.13 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.60 3ho8 h GLN 348 Cb 0.14 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3ho8 h GLN 348 CO -0.18 -0.14 0.29 0.82 -1.93 0.00 0.00 178.83 177.70 3ho8 h ILE 349 N -0.21 1.01 -0.63 2.39 2.04 -0.15 -2.78 117.51 119.18 3ho8 h ILE 349 Ca 0.19 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3ho8 h ILE 349 Cb 0.56 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3ho8 h ILE 349 CO -0.69 0.10 0.34 -0.07 0.00 0.00 0.00 178.15 177.84 3ho8 h LEU 350 N 0.56 0.80 -0.98 1.44 3.38 -0.14 -2.75 115.31 117.62 3ho8 h LEU 350 Ca 0.21 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3ho8 h LEU 350 Cb 0.07 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3ho8 h LEU 350 CO -0.12 0.67 0.62 0.58 0.09 0.00 0.00 178.44 180.28 3ho8 h VAL 351 N 0.86 1.03 0.00 1.22 2.07 -0.58 -1.32 116.25 119.54 3ho8 h VAL 351 Ca 0.22 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ho8 h VAL 351 Cb 0.05 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3ho8 h VAL 351 CO -0.03 0.20 -0.00 0.00 0.02 0.00 0.00 177.57 177.75 3ho8 h ALA 352 N 1.47 1.00 -0.34 1.67 0.00 -1.26 0.21 119.26 122.01 3ho8 h ALA 352 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ho8 h ALA 352 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ho8 h ALA 352 CO -0.20 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3ho8 n ALA 353 N -2.09 2.58 -2.75 0.00 0.00 -0.53 -4.99 120.51 112.72 3ho8 n ALA 353 Ca 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.72 3ho8 n ALA 353 Cb 0.34 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3ho8 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ho8 n GLY 354 N 0.93 -2.44 2.80 0.00 0.00 0.74 -4.70 105.19 102.51 3ho8 n GLY 354 Ca 0.12 0.92 -0.19 0.00 0.00 0.00 0.00 46.02 46.88 3ho8 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ho8 s ALA 355 N -2.18 0.41 -0.30 4.61 0.00 -1.24 -5.00 121.76 118.07 3ho8 s ALA 355 Ca 0.15 0.09 -0.34 0.00 0.00 0.00 0.00 51.96 51.86 3ho8 s ALA 355 Cb -0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 3ho8 s ALA 355 CO 0.75 -0.20 2.15 -3.47 0.00 0.00 0.00 175.76 174.99 3ho8 n ASP 356 N 4.48 2.47 -0.15 0.00 -0.08 -1.26 -4.76 116.55 117.25 3ho8 n ASP 356 Ca -0.19 0.45 -0.04 0.00 -1.51 0.00 0.00 54.79 53.49 3ho8 n ASP 356 Cb 0.50 -1.32 -0.04 0.00 2.34 0.00 0.00 41.12 42.60 3ho8 n ASP 356 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3ho8 n LEU 357 N 9.73 -0.38 -0.27 -2.67 7.94 -1.26 0.87 117.00 130.96 3ho8 n LEU 357 Ca 0.37 0.74 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3ho8 n LEU 357 Cb 0.27 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3ho8 n LEU 357 CO 0.74 -0.57 0.34 0.49 -1.11 0.00 0.00 177.39 177.28 3ho8 n PHE 357 N -4.14 0.00 -0.96 1.96 3.01 -1.26 -1.52 117.46 114.55 3ho8 n PHE 357 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3ho8 n PHE 357 Cb 0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3ho8 n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ho8 n GLY 357 N 0.22 0.55 0.09 1.37 0.00 0.25 -4.76 105.19 102.91 3ho8 n GLY 357 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3ho8 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ho8 h GLU 358 N 0.00 0.12 0.23 1.61 4.39 -1.87 -2.01 114.58 117.06 3ho8 h GLU 358 Ca 0.00 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3ho8 h GLU 358 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3ho8 h GLU 358 CO 0.00 1.00 -0.11 0.93 -1.16 0.00 0.00 179.01 179.67 3ho8 h GLU 359 N 0.03 -0.30 0.10 2.33 5.08 -1.90 -3.37 114.58 116.54 3ho8 h GLU 359 Ca -0.14 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 3ho8 h GLU 359 Cb 1.91 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3ho8 h GLU 359 CO 0.15 0.06 -0.91 0.82 -1.00 0.00 0.00 179.01 178.12 3ho8 h ILE 360 N -0.90 1.35 -6.04 3.13 2.04 -1.75 -3.48 117.51 111.85 3ho8 h ILE 360 Ca -0.03 -2.43 -0.43 0.00 1.00 0.00 0.00 64.86 62.97 3ho8 h ILE 360 Cb 0.50 2.99 0.06 0.00 -0.74 0.00 0.00 36.82 39.64 3ho8 h ILE 360 CO 0.05 0.66 -0.72 -3.20 0.00 0.00 0.00 178.15 174.94 3ho8 n ASN 361 N -4.17 -5.46 -4.77 1.72 5.15 -0.75 -4.91 115.26 102.06 3ho8 n ASN 361 Ca -0.18 -0.65 -0.41 0.00 -0.60 0.00 0.00 54.58 52.74 3ho8 n ASN 361 Cb 0.78 -4.52 -0.01 0.00 -0.53 0.00 0.00 39.78 35.49 3ho8 n ASN 361 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 3ho8 s MET 362 N -6.41 4.26 0.56 1.20 -2.45 -0.58 -4.99 119.30 110.90 3ho8 s MET 362 Ca 0.59 2.35 -0.19 0.00 -1.25 0.00 0.00 55.69 57.19 3ho8 s MET 362 Cb -0.28 -3.04 -0.05 0.00 1.25 0.00 0.00 34.83 32.71 3ho8 s MET 362 CO 0.78 -0.33 1.16 -2.14 1.05 0.00 0.00 175.02 175.53 3ho8 s PRO 362 N -1.75 3.22 0.74 4.11 0.02 -1.26 -4.44 135.00 135.64 3ho8 s PRO 362 Ca 0.51 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 63.07 3ho8 s PRO 362 Cb -0.42 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.16 3ho8 s PRO 362 CO 0.55 -0.98 1.21 -0.65 -0.33 0.00 0.00 177.00 176.81 3ho8 s GLN 363 N -3.31 2.05 0.23 5.54 -1.52 -1.26 -4.81 119.66 116.57 3ho8 s GLN 363 Ca 0.74 1.78 -0.07 0.00 -1.95 0.00 0.00 55.36 55.86 3ho8 s GLN 363 Cb -0.26 -1.82 0.36 0.00 -0.22 0.00 0.00 33.01 31.07 3ho8 s GLN 363 CO 0.29 -1.91 1.73 0.37 -0.25 0.00 0.00 175.29 175.52 3ho8 h GLN 364 N -0.38 0.40 0.00 2.91 5.75 -1.95 -0.01 115.11 121.83 3ho8 h GLN 364 Ca -0.48 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3ho8 h GLN 364 Cb 1.30 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3ho8 h GLN 364 CO 0.49 0.27 0.25 1.57 -2.65 0.00 0.00 178.83 178.76 3ho8 h LYS 365 N 0.41 0.00 0.00 1.69 2.10 -2.01 -1.78 116.57 116.98 3ho8 h LYS 365 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3ho8 h LYS 365 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3ho8 h LYS 365 CO -0.36 0.00 -0.66 -0.25 -2.00 0.00 0.00 179.45 176.18 3ho8 n ASP 366 N -2.62 0.92 -4.65 7.07 8.00 -0.06 -4.94 116.55 120.26 3ho8 n ASP 366 Ca -0.02 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 3ho8 n ASP 366 Cb 0.29 1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 42.46 3ho8 n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ho8 s ILE 367 N -2.06 3.57 0.53 0.53 1.01 -0.67 -4.97 121.20 119.13 3ho8 s ILE 367 Ca 0.02 0.67 0.05 0.00 0.00 0.00 0.00 60.65 61.39 3ho8 s ILE 367 Cb 0.07 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3ho8 s ILE 367 CO 0.39 -0.10 0.30 0.42 0.00 0.00 0.00 174.94 175.96 3ho8 s THR 368 N 4.38 1.61 -0.14 2.92 -4.23 -1.26 -5.03 115.64 113.89 3ho8 s THR 368 Ca 0.74 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3ho8 s THR 368 Cb -0.32 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3ho8 s THR 368 CO 0.30 0.00 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.34 3ho8 s THR 369 N -2.78 1.60 -0.22 3.99 2.01 -1.26 -4.36 115.64 114.62 3ho8 s THR 369 Ca 0.29 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 3ho8 s THR 369 Cb -0.01 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3ho8 s THR 369 CO 0.17 0.46 0.03 -0.22 -0.69 0.00 0.00 174.62 174.38 3ho8 s LEU 370 N 1.33 3.35 0.00 4.42 0.20 -0.09 -5.03 118.68 122.87 3ho8 s LEU 370 Ca 0.02 -0.20 0.00 0.00 0.69 0.00 0.00 54.13 54.64 3ho8 s LEU 370 Cb -0.13 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.75 3ho8 s LEU 370 CO -0.08 0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.61 3ho8 n GLY 371 N 4.53 -0.07 3.03 7.98 0.00 -1.25 -4.53 105.19 114.87 3ho8 n GLY 371 Ca -0.17 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 3ho8 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ho8 s TYR 372 N 0.00 0.45 0.04 1.61 1.51 -0.09 -4.59 117.35 116.29 3ho8 s TYR 372 Ca 0.00 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 55.52 3ho8 s TYR 372 Cb 0.00 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 3ho8 s TYR 372 CO 0.00 -0.16 -0.11 0.00 -1.11 0.00 0.00 175.55 174.16 3ho8 s ALA 373 N -1.71 0.89 0.02 3.71 0.00 -0.44 -1.81 121.76 122.42 3ho8 s ALA 373 Ca -0.11 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3ho8 s ALA 373 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3ho8 s ALA 373 CO -0.01 0.12 -0.19 0.42 0.00 0.00 0.00 175.76 176.09 3ho8 s ILE 374 N -1.04 1.53 -0.03 0.00 1.01 -0.64 -0.76 121.20 121.27 3ho8 s ILE 374 Ca -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.65 3ho8 s ILE 374 Cb -0.08 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3ho8 s ILE 374 CO 0.01 0.26 -0.20 -1.58 0.00 0.00 0.00 174.94 173.43 3ho8 s GLN 375 N -0.90 2.29 -0.04 2.79 0.74 0.30 -1.81 119.66 123.04 3ho8 s GLN 375 Ca 0.07 -0.82 0.04 0.00 0.05 0.00 0.00 55.36 54.70 3ho8 s GLN 375 Cb -0.08 -2.21 -0.00 0.00 1.10 0.00 0.00 33.01 31.81 3ho8 s GLN 375 CO 0.01 0.59 -0.17 0.00 -0.55 0.00 0.00 175.29 175.17 3ho8 s ARG 377 N -0.00 2.94 -0.26 0.00 0.52 -1.25 -1.73 118.95 119.16 3ho8 s ARG 377 Ca -0.03 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 3ho8 s ARG 377 Cb -0.11 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.39 3ho8 s ARG 377 CO 0.02 -0.81 1.22 0.42 0.02 0.00 0.00 175.30 176.17 3ho8 s ILE 378 N 1.65 4.31 0.32 1.52 1.01 0.12 -4.94 121.20 125.19 3ho8 s ILE 378 Ca 0.04 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.25 3ho8 s ILE 378 Cb -0.20 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 3ho8 s ILE 378 CO 0.09 -0.35 0.08 0.42 0.00 0.00 0.00 174.94 175.18 3ho8 s THR 379 N 3.86 0.95 -2.07 2.92 -4.23 -1.26 -0.12 115.64 115.69 3ho8 s THR 379 Ca 0.52 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.24 3ho8 s THR 379 Cb -0.17 -2.69 0.54 0.00 1.34 0.00 0.00 72.50 71.52 3ho8 s THR 379 CO 0.17 0.00 1.46 0.35 -0.54 0.00 0.00 174.62 176.07 3ho8 n THR 380 N -0.66 0.78 -2.07 3.99 -2.24 -1.26 -0.46 114.28 112.36 3ho8 n THR 380 Ca -0.02 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3ho8 n THR 380 Cb 0.66 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3ho8 n THR 380 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ho8 s GLU 381 N -1.22 4.25 -0.44 -0.78 -1.05 -1.26 -0.09 118.70 118.11 3ho8 s GLU 381 Ca 0.42 2.17 -0.29 0.00 -0.15 0.00 0.00 54.97 57.12 3ho8 s GLU 381 Cb 0.22 -3.46 0.03 0.00 -0.44 0.00 0.00 34.13 30.48 3ho8 s GLU 381 CO 0.29 -0.61 1.15 0.34 0.95 0.00 0.00 175.26 177.39 3ho8 s ASP 382 N 1.81 6.66 0.41 0.83 -1.08 -1.14 -3.62 116.67 120.54 3ho8 s ASP 382 Ca 0.68 0.61 0.29 0.00 -0.52 0.00 0.00 52.55 53.61 3ho8 s ASP 382 Cb -0.37 -2.55 1.40 0.00 -1.46 0.00 0.00 42.92 39.94 3ho8 s ASP 382 CO 0.30 -1.20 1.87 -0.65 0.52 0.00 0.00 175.17 176.01 3ho8 h PRO 383 N 9.14 0.00 -0.67 4.34 0.11 -1.92 0.57 132.00 143.57 3ho8 h PRO 383 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ho8 h PRO 383 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ho8 h PRO 383 CO 1.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.18 3ho8 n LEU 384 N -2.56 4.74 -1.46 2.35 7.99 -1.26 -4.40 117.00 122.40 3ho8 n LEU 384 Ca -0.00 -2.41 -0.02 0.00 -0.01 0.00 0.00 56.01 53.57 3ho8 n LEU 384 Cb 0.15 -0.58 -0.01 0.00 -0.11 0.00 0.00 43.42 42.87 3ho8 n LEU 384 CO 0.18 0.84 0.25 -3.20 -1.51 0.00 0.00 177.39 173.95 3ho8 n ASN 385 N 1.20 -0.17 -3.80 -1.43 5.15 -0.93 -4.99 115.26 110.30 3ho8 n ASN 385 Ca 0.26 -2.02 -0.23 0.00 -0.60 0.00 0.00 54.58 51.99 3ho8 n ASN 385 Cb 0.88 0.08 0.01 0.00 -0.53 0.00 0.00 39.78 40.22 3ho8 n ASN 385 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3ho8 n ASP 386 N -0.02 -1.12 -2.28 1.20 8.00 -1.22 -3.11 116.55 118.00 3ho8 n ASP 386 Ca -0.13 -0.88 -0.16 0.00 0.71 0.00 0.00 54.79 54.34 3ho8 n ASP 386 Cb 0.88 -3.72 -0.02 0.00 -0.02 0.00 0.00 41.12 38.24 3ho8 n ASP 386 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ho8 n PHE 387 N -4.34 -1.09 -1.92 1.24 3.72 0.19 -4.89 117.46 110.37 3ho8 n PHE 387 Ca -0.28 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 3ho8 n PHE 387 Cb 0.67 -3.21 -0.03 0.00 -0.94 0.00 0.00 39.48 35.98 3ho8 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3ho8 s MET 388 N -4.78 3.35 -0.41 -1.08 -1.94 -1.18 -4.16 119.30 109.09 3ho8 s MET 388 Ca 0.00 1.59 -0.27 0.00 -1.71 0.00 0.00 55.69 55.30 3ho8 s MET 388 Cb 0.00 -4.22 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 3ho8 s MET 388 CO 0.00 -1.84 2.10 -2.14 -0.01 0.00 0.00 175.02 173.13 3ho8 s PRO 389 N 5.69 2.76 1.00 2.03 0.02 -1.26 -2.89 135.00 142.34 3ho8 s PRO 389 Ca 0.84 1.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 3ho8 s PRO 389 Cb -0.25 -4.40 0.19 0.00 0.02 0.00 0.00 34.50 30.06 3ho8 s PRO 389 CO 0.34 -2.53 1.09 0.34 -0.33 0.00 0.00 177.00 175.90 3ho8 s ASP 390 N 8.90 2.40 0.12 2.53 3.68 0.87 -4.87 116.67 130.29 3ho8 s ASP 390 Ca 0.88 1.77 -0.09 0.00 2.13 0.00 0.00 52.55 57.24 3ho8 s ASP 390 Cb -0.21 -2.38 -0.00 0.00 -1.45 0.00 0.00 42.92 38.87 3ho8 s ASP 390 CO 0.29 -3.36 0.23 0.28 0.13 0.00 0.00 175.17 172.74 3ho8 s THR 391 N -2.66 0.11 -3.12 1.71 -1.32 -1.26 -4.80 115.64 104.31 3ho8 s THR 391 Ca 0.66 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 3ho8 s THR 391 Cb -0.22 -1.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.25 3ho8 s THR 391 CO 0.60 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 3ho8 n GLY 392 N -0.12 0.78 3.46 6.08 0.00 -1.16 -4.84 105.19 109.39 3ho8 n GLY 392 Ca -0.12 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 3ho8 n GLY 392 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ho8 s THR 393 N -1.65 4.91 -0.27 2.61 -4.23 -1.26 0.35 115.64 116.11 3ho8 s THR 393 Ca 0.00 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 3ho8 s THR 393 Cb 0.00 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 3ho8 s THR 393 CO 0.00 -0.06 1.59 -0.63 -0.54 0.00 0.00 174.62 174.98 3ho8 s ILE 394 N 1.65 3.73 -0.03 2.99 1.01 -0.20 -4.35 121.20 125.99 3ho8 s ILE 394 Ca 0.05 0.80 -0.00 0.00 0.00 0.00 0.00 60.65 61.49 3ho8 s ILE 394 Cb -0.18 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3ho8 s ILE 394 CO 0.08 -0.38 0.04 0.40 0.00 0.00 0.00 174.94 175.08 3ho8 h ILE 395 N 6.27 0.00 -2.99 2.92 2.04 -0.31 -3.27 117.51 122.18 3ho8 h ILE 395 Ca -0.32 -0.31 -0.61 0.00 1.00 0.00 0.00 64.86 64.62 3ho8 h ILE 395 Cb 1.14 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3ho8 h ILE 395 CO 1.02 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 178.78 3ho8 s ALA 396 N -2.89 3.86 -0.23 1.87 0.00 -1.17 -4.60 121.76 118.60 3ho8 s ALA 396 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 3ho8 s ALA 396 Cb 0.00 -2.04 0.12 0.00 0.00 0.00 0.00 23.12 21.21 3ho8 s ALA 396 CO 0.01 0.69 0.35 -0.47 0.00 0.00 0.00 175.76 176.34 3ho8 s TYR 397 N -1.46 -0.73 0.02 0.00 6.14 -1.26 -2.10 117.35 117.96 3ho8 s TYR 397 Ca 0.33 0.77 0.05 0.00 0.64 0.00 0.00 57.07 58.87 3ho8 s TYR 397 Cb -0.13 -0.03 -0.02 0.00 0.42 0.00 0.00 41.96 42.20 3ho8 s TYR 397 CO 0.21 -0.69 -0.16 0.50 0.64 0.00 0.00 175.55 176.06 3ho8 s ARG 398 N 2.51 1.14 0.39 4.97 3.52 0.11 -4.51 118.95 127.08 3ho8 s ARG 398 Ca 0.11 -0.73 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 3ho8 s ARG 398 Cb -0.15 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.05 3ho8 s ARG 398 CO -0.15 0.30 0.30 0.45 -0.81 0.00 0.00 175.30 175.39 3ho8 s SER 399 N -0.88 4.94 -0.07 -2.12 0.15 -1.26 -1.49 113.70 112.97 3ho8 s SER 399 Ca 0.04 -0.76 0.01 0.00 0.70 0.00 0.00 55.95 55.94 3ho8 s SER 399 Cb -0.07 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 3ho8 s SER 399 CO 0.01 -0.54 -0.09 -0.55 1.20 0.00 0.00 173.24 173.27 3ho8 s SER 400 N -4.04 4.50 0.00 5.45 0.15 -1.26 -4.66 113.70 113.85 3ho8 s SER 400 Ca 0.45 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3ho8 s SER 400 Cb -0.02 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 3ho8 s SER 400 CO 0.26 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.66 3ho8 n GLY 401 N 2.31 4.54 0.00 9.45 0.00 -1.26 -4.94 105.19 115.29 3ho8 n GLY 401 Ca -0.18 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3ho8 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ho8 n GLY 402 N 5.00 0.48 3.49 -0.02 0.00 -1.26 -4.65 105.19 108.23 3ho8 n GLY 402 Ca 0.00 -1.80 -0.58 0.00 0.00 0.00 0.00 46.02 43.64 3ho8 n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ho8 n PHE 403 N 0.64 0.55 -0.63 1.61 -0.00 -1.26 -1.55 117.46 116.82 3ho8 n PHE 403 Ca 0.00 1.05 0.00 0.00 -0.00 0.00 0.00 57.45 58.50 3ho8 n PHE 403 Cb 0.00 -2.08 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 3ho8 n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ho8 n GLY 404 N 1.54 1.52 3.90 7.13 0.00 -1.26 -5.00 105.19 113.02 3ho8 n GLY 404 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3ho8 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ho8 s VAL 405 N -3.41 5.36 -0.00 1.61 1.01 -0.59 -1.10 120.40 123.27 3ho8 s VAL 405 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3ho8 s VAL 405 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3ho8 s VAL 405 CO 0.00 0.25 0.02 -0.60 0.00 0.00 0.00 175.10 174.78 3ho8 s ARG 406 N -2.15 0.16 -0.06 2.72 3.52 -0.61 -4.82 118.95 117.72 3ho8 s ARG 406 Ca 0.30 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3ho8 s ARG 406 Cb -0.13 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 3ho8 s ARG 406 CO 0.22 -0.03 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.14 3ho8 s LEU 407 N -0.54 1.12 -0.57 -0.88 1.43 -1.26 -2.20 118.68 115.78 3ho8 s LEU 407 Ca -0.06 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3ho8 s LEU 407 Cb -0.04 -0.49 0.15 0.00 0.03 0.00 0.00 46.19 45.84 3ho8 s LEU 407 CO -0.00 -0.10 0.43 -1.81 0.23 0.00 0.00 176.35 175.10 3ho8 s ASP 408 N 1.28 5.67 -0.21 2.29 -0.00 -0.88 -5.03 116.67 119.79 3ho8 s ASP 408 Ca -0.05 -2.35 -0.29 0.00 -0.00 0.00 0.00 52.55 49.86 3ho8 s ASP 408 Cb -0.14 -1.97 -0.03 0.00 -0.00 0.00 0.00 42.92 40.78 3ho8 s ASP 408 CO -0.02 -0.56 1.76 0.00 -0.00 0.00 0.00 175.17 176.35 3ho8 s ALA 409 N 0.70 3.17 0.00 5.23 0.00 -1.26 -3.10 121.76 126.51 3ho8 s ALA 409 Ca 0.11 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3ho8 s ALA 409 Cb -0.21 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.00 3ho8 s ALA 409 CO -0.03 -2.12 0.00 0.41 0.00 0.00 0.00 175.76 174.02 3ho8 n GLY 410 N 4.90 1.39 0.03 0.00 0.00 -0.83 -4.23 105.19 106.45 3ho8 n GLY 410 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 3ho8 n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ho8 n ASP 411 N 0.00 0.59 -4.73 1.61 10.43 -0.77 -4.19 116.55 119.50 3ho8 n ASP 411 Ca 0.00 -0.80 -0.39 0.00 2.57 0.00 0.00 54.79 56.17 3ho8 n ASP 411 Cb 0.00 0.52 -0.05 0.00 1.84 0.00 0.00 41.12 43.43 3ho8 n ASP 411 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ho8 s GLY 412 N -0.67 2.54 -0.07 0.44 0.00 -0.94 -4.81 107.32 103.82 3ho8 s GLY 412 Ca 0.01 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 3ho8 s GLY 412 CO 0.04 0.97 0.97 -0.11 0.00 0.00 0.00 173.10 174.97 3ho8 s PHE 413 N 0.58 -0.31 0.00 1.90 -0.12 -1.26 -4.96 117.98 113.81 3ho8 s PHE 413 Ca 0.32 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 3ho8 s PHE 413 Cb -0.17 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 3ho8 s PHE 413 CO 0.15 -0.44 0.00 1.04 -0.05 0.00 0.00 175.22 175.92 3ho8 n GLN 414 N -0.02 0.00 -1.38 1.99 6.02 -1.26 -1.04 117.38 121.69 3ho8 n GLN 414 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3ho8 n GLN 414 Cb 0.60 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.86 3ho8 n GLN 414 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ho8 n GLY 415 N 0.00 0.87 3.55 1.08 0.00 -1.23 -4.40 105.19 105.06 3ho8 n GLY 415 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3ho8 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ho8 n ALA 416 N 0.30 -0.71 -3.48 4.61 0.00 -0.21 -4.57 120.51 116.45 3ho8 n ALA 416 Ca -0.05 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 3ho8 n ALA 416 Cb 1.00 -2.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 3ho8 n ALA 416 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ho8 s GLU 417 N -2.98 3.33 -0.29 0.00 2.02 -1.26 -1.04 118.70 118.49 3ho8 s GLU 417 Ca 0.71 -0.66 -0.19 0.00 0.02 0.00 0.00 54.97 54.85 3ho8 s GLU 417 Cb -0.36 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3ho8 s GLU 417 CO 0.53 -0.23 0.54 0.42 0.02 0.00 0.00 175.26 176.55 3ho8 s ILE 418 N 1.48 5.03 0.32 -1.63 1.09 0.16 -4.96 121.20 122.68 3ho8 s ILE 418 Ca 0.05 0.79 -0.26 0.00 -1.10 0.00 0.00 60.65 60.13 3ho8 s ILE 418 Cb -0.15 -3.89 -0.10 0.00 -1.06 0.00 0.00 42.46 37.26 3ho8 s ILE 418 CO -0.03 -0.02 0.97 -0.55 -0.10 0.00 0.00 174.94 175.22 3ho8 s SER 419 N 1.60 7.27 0.00 3.58 0.15 -1.26 -2.99 113.70 122.04 3ho8 s SER 419 Ca 0.22 1.92 0.30 0.00 0.70 0.00 0.00 55.95 59.09 3ho8 s SER 419 Cb -0.15 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.12 3ho8 s SER 419 CO 0.10 -0.12 2.06 -2.65 1.20 0.00 0.00 173.24 173.83 3ho8 n PRO 420 N 0.60 0.54 -0.33 5.44 -0.02 -1.26 -3.80 135.00 136.17 3ho8 n PRO 420 Ca 0.02 -0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.59 3ho8 n PRO 420 Cb 0.49 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.77 3ho8 n PRO 420 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ho8 n TYR 421 N -1.21 0.87 -4.45 6.00 4.02 -1.26 -4.95 117.16 116.18 3ho8 n TYR 421 Ca 0.16 -0.43 -0.25 0.00 -0.01 0.00 0.00 57.90 57.36 3ho8 n TYR 421 Cb 0.23 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.41 3ho8 n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3ho8 s TYR 422 N -1.13 1.82 -0.74 -0.72 4.12 -1.25 -4.75 117.35 114.71 3ho8 s TYR 422 Ca 0.47 -0.40 -0.17 0.00 0.02 0.00 0.00 57.07 56.99 3ho8 s TYR 422 Cb 0.25 -1.04 -0.17 0.00 -1.52 0.00 0.00 41.96 39.48 3ho8 s TYR 422 CO 0.33 0.16 1.90 -3.47 0.02 0.00 0.00 175.55 174.49 3ho8 n ASP 423 N 1.42 0.20 -4.67 2.29 -0.08 -1.26 -4.82 116.55 109.63 3ho8 n ASP 423 Ca -0.18 -1.75 -0.44 0.00 -1.51 0.00 0.00 54.79 50.90 3ho8 n ASP 423 Cb 0.53 -1.27 -0.04 0.00 2.34 0.00 0.00 41.12 42.68 3ho8 n ASP 423 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ho8 n SER 424 N 13.93 3.96 -3.15 1.67 3.41 -1.26 -4.90 113.62 127.28 3ho8 n SER 424 Ca 0.35 0.93 0.05 0.00 -0.26 0.00 0.00 58.87 59.94 3ho8 n SER 424 Cb 0.43 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 62.88 3ho8 n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ho8 s LEU 425 N 4.18 -0.61 -0.12 1.04 0.20 -1.26 -4.41 118.68 117.69 3ho8 s LEU 425 Ca 0.89 0.21 -0.23 0.00 0.69 0.00 0.00 54.13 55.70 3ho8 s LEU 425 Cb -0.51 1.44 -0.26 0.00 -0.43 0.00 0.00 46.19 46.43 3ho8 s LEU 425 CO 0.44 -0.11 0.64 -0.07 -0.29 0.00 0.00 176.35 176.96 3ho8 h LEU 426 N 7.70 0.19 -7.70 -0.68 3.38 -0.86 -3.31 115.31 114.02 3ho8 h LEU 426 Ca -0.11 -0.86 -0.07 0.00 0.09 0.00 0.00 57.88 56.93 3ho8 h LEU 426 Cb 1.18 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 3ho8 h LEU 426 CO -0.05 1.33 -0.23 0.68 0.09 0.00 0.00 178.44 180.25 3ho8 s VAL 427 N -2.35 0.10 -0.25 1.22 -7.23 -1.04 -1.84 120.40 109.00 3ho8 s VAL 427 Ca -0.20 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 3ho8 s VAL 427 Cb 0.01 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3ho8 s VAL 427 CO 0.72 -0.44 0.00 -1.59 -0.31 0.00 0.00 175.10 173.48 3ho8 s LYS 428 N -3.86 3.21 -0.21 4.82 -2.85 -1.18 0.16 119.74 119.83 3ho8 s LYS 428 Ca 0.06 -0.75 -0.04 0.00 -1.00 0.00 0.00 55.97 54.24 3ho8 s LYS 428 Cb 0.03 -3.15 -0.01 0.00 -2.06 0.00 0.00 37.83 32.64 3ho8 s LYS 428 CO -0.09 -0.31 -0.04 -1.17 0.10 0.00 0.00 175.35 173.84 3ho8 s LEU 429 N 1.47 2.99 0.03 2.77 2.96 -0.71 -2.08 118.68 126.10 3ho8 s LEU 429 Ca 0.04 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3ho8 s LEU 429 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3ho8 s LEU 429 CO -0.01 0.02 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.99 3ho8 s SER 430 N 1.26 1.29 0.07 3.68 1.04 -0.93 -2.05 113.70 118.05 3ho8 s SER 430 Ca 0.03 -0.38 0.10 0.00 0.48 0.00 0.00 55.95 56.18 3ho8 s SER 430 Cb -0.14 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 3ho8 s SER 430 CO -0.01 0.01 -0.27 0.42 0.98 0.00 0.00 173.24 174.37 3ho8 s THR 431 N -0.75 2.19 0.33 2.02 -4.23 -0.75 -1.57 115.64 112.87 3ho8 s THR 431 Ca -0.00 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 3ho8 s THR 431 Cb -0.07 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 3ho8 s THR 431 CO 0.01 0.28 -0.08 -2.28 -0.54 0.00 0.00 174.62 172.01 3ho8 s HIS 432 N -0.88 2.44 0.00 3.99 2.46 -0.26 -1.62 115.29 121.42 3ho8 s HIS 432 Ca 0.12 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.22 3ho8 s HIS 432 Cb -0.10 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 3ho8 s HIS 432 CO 0.03 0.58 0.00 0.00 -2.47 0.00 0.00 174.74 172.88 3ho8 n ALA 433 N -0.82 0.00 -0.24 1.58 0.00 -0.75 -4.69 120.51 115.59 3ho8 n ALA 433 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3ho8 n ALA 433 Cb 0.62 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.22 3ho8 n ALA 433 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3ho8 h ILE 434 N 1.15 0.41 -3.46 0.00 -0.00 -1.90 -0.21 117.51 113.50 3ho8 h ILE 434 Ca 0.00 -0.05 -0.66 0.00 -0.00 0.00 0.00 64.86 64.15 3ho8 h ILE 434 Cb 0.00 0.26 -0.15 0.00 -0.00 0.00 0.00 36.82 36.93 3ho8 h ILE 434 CO 0.00 0.03 -0.68 -0.55 -0.00 0.00 0.00 178.15 176.95 3ho8 s SER 435 N -5.21 4.86 0.13 2.16 0.15 -1.26 -3.95 113.70 110.59 3ho8 s SER 435 Ca -0.13 -0.13 -0.23 0.00 0.70 0.00 0.00 55.95 56.16 3ho8 s SER 435 Cb 0.21 -1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.34 3ho8 s SER 435 CO 0.75 0.24 1.65 0.15 1.20 0.00 0.00 173.24 177.24 3ho8 h PHE 436 N 4.10 -0.48 -0.51 3.44 3.57 -1.91 -1.78 116.94 123.37 3ho8 h PHE 436 Ca -0.48 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3ho8 h PHE 436 Cb 1.17 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3ho8 h PHE 436 CO 0.60 -0.26 0.24 1.57 -2.23 0.00 0.00 178.31 178.23 3ho8 h LYS 437 N -0.23 0.71 -0.24 1.11 2.10 -1.96 -1.09 116.57 116.97 3ho8 h LYS 437 Ca 0.10 -0.08 -0.11 0.00 -2.00 0.00 0.00 60.65 58.56 3ho8 h LYS 437 Cb 0.38 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 3ho8 h LYS 437 CO -0.27 0.55 -0.30 0.37 -2.00 0.00 0.00 179.45 177.79 3ho8 h GLN 438 N 0.71 0.48 -0.90 0.07 4.15 -1.86 -0.58 115.11 117.18 3ho8 h GLN 438 Ca 0.18 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ho8 h GLN 438 Cb 0.08 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3ho8 h GLN 438 CO -0.02 0.74 0.56 0.00 -1.93 0.00 0.00 178.83 178.17 3ho8 h ALA 439 N 1.26 1.14 -0.45 3.38 0.00 -0.36 -1.76 119.26 122.48 3ho8 h ALA 439 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ho8 h ALA 439 Cb 0.74 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ho8 h ALA 439 CO 0.06 0.58 -0.20 1.49 0.00 0.00 0.00 179.25 181.18 3ho8 h GLU 440 N 1.23 0.93 -0.54 0.00 4.22 -0.81 -0.91 114.58 118.71 3ho8 h GLU 440 Ca 0.33 -0.40 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 3ho8 h GLU 440 Cb -0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3ho8 h GLU 440 CO -0.06 1.06 0.23 0.93 -2.18 0.00 0.00 179.01 178.98 3ho8 h GLU 441 N 0.76 0.79 -0.43 1.92 5.08 -0.88 0.36 114.58 122.19 3ho8 h GLU 441 Ca 0.10 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3ho8 h GLU 441 Cb 0.77 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3ho8 h GLU 441 CO 0.06 0.68 -0.10 0.87 -1.00 0.00 0.00 179.01 179.52 3ho8 h LYS 442 N 0.72 0.75 0.02 2.33 1.57 -1.25 -1.44 116.57 119.27 3ho8 h LYS 442 Ca 0.18 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ho8 h LYS 442 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ho8 h LYS 442 CO -0.02 0.83 -0.01 1.98 -0.57 0.00 0.00 179.45 181.66 3ho8 h MET 443 N 0.69 -0.02 0.04 3.15 4.05 -0.49 0.23 114.93 122.57 3ho8 h MET 443 Ca 0.12 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 3ho8 h MET 443 Cb 0.57 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 3ho8 h MET 443 CO 0.03 0.31 -0.41 0.28 0.23 0.00 0.00 176.91 177.35 3ho8 h VAL 444 N -0.36 0.16 -0.63 -5.77 2.07 -0.24 0.45 116.25 111.93 3ho8 h VAL 444 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ho8 h VAL 444 Cb 0.35 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3ho8 h VAL 444 CO 0.00 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 177.81 3ho8 h ARG 445 N -0.60 0.54 -0.52 1.57 1.12 -1.28 -0.81 114.38 114.40 3ho8 h ARG 445 Ca 0.04 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 3ho8 h ARG 445 Cb 0.66 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.47 3ho8 h ARG 445 CO -0.29 0.36 0.18 0.77 -3.11 0.00 0.00 179.97 177.87 3ho8 h SER 446 N 0.56 0.69 -0.33 -3.80 0.02 0.45 -0.08 113.55 111.05 3ho8 h SER 446 Ca 0.30 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3ho8 h SER 446 Cb 0.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3ho8 h SER 446 CO -0.23 0.65 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.92 3ho8 h LEU 447 N 0.74 0.67 -0.58 5.07 3.38 0.11 0.38 115.31 125.09 3ho8 h LEU 447 Ca 0.17 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 3ho8 h LEU 447 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ho8 h LEU 447 CO -0.01 0.90 -0.46 0.03 0.09 0.00 0.00 178.44 178.99 3ho8 h ARG 448 N 0.43 0.60 -0.21 1.13 3.08 -1.02 -3.18 114.38 115.21 3ho8 h ARG 448 Ca 0.08 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3ho8 h ARG 448 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3ho8 h ARG 448 CO 0.04 0.93 -0.09 1.49 -1.07 0.00 0.00 179.97 181.27 3ho8 h GLU 449 N 0.48 0.43 -6.36 0.04 4.81 -0.89 -3.43 114.58 109.67 3ho8 h GLU 449 Ca 0.03 -0.18 -0.64 0.00 -0.13 0.00 0.00 59.36 58.44 3ho8 h GLU 449 Cb 0.98 -0.01 0.09 0.00 0.63 0.00 0.00 28.75 30.44 3ho8 h GLU 449 CO 0.09 0.71 0.19 -1.33 -0.73 0.00 0.00 179.01 177.94 3ho8 n MET 450 N -4.56 1.16 -3.83 1.92 2.81 0.11 -4.79 117.12 109.95 3ho8 n MET 450 Ca -0.05 0.41 -0.23 0.00 -1.81 0.00 0.00 57.70 56.02 3ho8 n MET 450 Cb 0.32 -1.85 -0.17 0.00 -0.71 0.00 0.00 33.22 30.80 3ho8 n MET 450 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3ho8 s ARG 451 N -0.74 0.74 -0.22 0.03 6.06 -0.56 -4.95 118.95 119.32 3ho8 s ARG 451 Ca 0.69 0.04 -0.03 0.00 -2.50 0.00 0.00 55.73 53.93 3ho8 s ARG 451 Cb -0.81 -1.03 0.07 0.00 0.06 0.00 0.00 34.95 33.24 3ho8 s ARG 451 CO 0.55 -0.28 0.06 0.42 -2.50 0.00 0.00 175.30 173.55 3ho8 s ILE 452 N 1.83 0.42 -0.06 4.11 1.01 -1.26 -0.72 121.20 126.53 3ho8 s ILE 452 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3ho8 s ILE 452 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3ho8 s ILE 452 CO -0.05 -0.33 -0.03 -0.13 0.00 0.00 0.00 174.94 174.40 3ho8 s ARG 453 N 1.89 2.85 0.00 2.79 1.81 -0.89 -4.76 118.95 122.63 3ho8 s ARG 453 Ca 0.02 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 3ho8 s ARG 453 Cb -0.17 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 31.64 3ho8 s ARG 453 CO -0.13 0.67 0.00 0.41 -0.68 0.00 0.00 175.30 175.57 3ho8 n GLY 454 N 2.05 3.01 3.80 -3.53 0.00 -1.26 0.36 105.19 109.62 3ho8 n GLY 454 Ca -0.18 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3ho8 n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ho8 n VAL 455 N 0.00 0.00 -2.54 1.61 0.24 -1.26 -4.83 118.33 111.55 3ho8 n VAL 455 Ca 0.00 -1.52 -0.22 0.00 -2.04 0.00 0.00 64.34 60.56 3ho8 n VAL 455 Cb 0.00 -0.92 0.05 0.00 -1.47 0.00 0.00 33.84 31.49 3ho8 n VAL 455 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ho8 s LYS 456 N -5.08 2.39 0.05 7.34 1.02 -1.26 -5.08 119.74 119.12 3ho8 s LYS 456 Ca 0.65 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 3ho8 s LYS 456 Cb -0.04 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3ho8 s LYS 456 CO 0.43 -0.89 0.14 0.95 -0.92 0.00 0.00 175.35 175.06 3ho8 s THR 457 N -2.90 0.13 -2.11 2.17 -4.23 -1.26 -4.23 115.64 103.22 3ho8 s THR 457 Ca 0.59 -1.06 0.15 0.00 -1.18 0.00 0.00 61.69 60.19 3ho8 s THR 457 Cb -0.10 -0.98 0.37 0.00 1.34 0.00 0.00 72.50 73.13 3ho8 s THR 457 CO 0.40 -0.58 1.43 -0.46 -0.54 0.00 0.00 174.62 174.87 3ho8 n ASN 458 N 0.61 1.14 -0.17 3.99 6.94 0.40 -4.51 115.26 123.65 3ho8 n ASN 458 Ca -0.18 -1.76 -0.04 0.00 -0.02 0.00 0.00 54.58 52.57 3ho8 n ASN 458 Cb 0.59 -0.10 0.02 0.00 -2.36 0.00 0.00 39.78 37.93 3ho8 n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3ho8 h ILE 459 N 1.40 0.28 -0.97 1.53 2.04 -1.92 -0.89 117.51 118.98 3ho8 h ILE 459 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 3ho8 h ILE 459 Cb 0.31 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 3ho8 h ILE 459 CO 0.00 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.11 3ho8 h PRO 460 N -0.14 0.69 -0.33 2.37 0.11 -1.96 -0.70 132.00 132.05 3ho8 h PRO 460 Ca 0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3ho8 h PRO 460 Cb 0.51 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3ho8 h PRO 460 CO -0.60 0.46 0.06 0.35 -0.21 0.00 0.00 178.00 178.05 3ho8 h PHE 461 N 0.71 0.58 -0.36 0.65 3.57 -1.52 -2.13 116.94 118.44 3ho8 h PHE 461 Ca 0.52 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 3ho8 h PHE 461 Cb 0.87 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3ho8 h PHE 461 CO -0.00 0.61 0.17 -0.07 -2.23 0.00 0.00 178.31 176.79 3ho8 h LEU 462 N 0.38 0.48 -0.60 0.59 3.38 -0.64 -2.20 115.31 116.69 3ho8 h LEU 462 Ca 0.10 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.06 3ho8 h LEU 462 Cb 0.34 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3ho8 h LEU 462 CO 0.01 0.48 0.11 0.40 0.09 0.00 0.00 178.44 179.53 3ho8 h ILE 463 N 0.44 0.62 -0.35 1.22 2.04 -1.08 -1.68 117.51 118.73 3ho8 h ILE 463 Ca 0.12 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3ho8 h ILE 463 Cb 0.13 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3ho8 h ILE 463 CO -0.01 0.04 0.10 0.78 0.00 0.00 0.00 178.15 179.06 3ho8 h ASN 464 N 0.24 0.45 -0.31 1.72 4.21 -0.96 -2.30 115.58 118.63 3ho8 h ASN 464 Ca 0.32 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 3ho8 h ASN 464 Cb 0.48 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 3ho8 h ASN 464 CO -0.42 0.45 0.02 0.58 -1.29 0.00 0.00 177.43 176.77 3ho8 h VAL 465 N 0.49 1.25 -0.89 2.81 2.07 -0.72 -2.90 116.25 118.36 3ho8 h VAL 465 Ca 0.12 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3ho8 h VAL 465 Cb 0.17 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3ho8 h VAL 465 CO -0.01 0.29 0.58 0.24 0.02 0.00 0.00 177.57 178.69 3ho8 h MET 466 N 0.34 1.18 -0.95 1.57 2.86 -0.91 -1.52 114.93 117.50 3ho8 h MET 466 Ca 0.09 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3ho8 h MET 466 Cb 0.40 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 3ho8 h MET 466 CO 0.01 0.79 0.62 0.87 1.06 0.00 0.00 176.91 180.27 3ho8 h LYS 467 N 1.22 1.26 -6.67 1.72 1.79 -1.36 -3.43 116.57 111.09 3ho8 h LYS 467 Ca 0.33 -0.08 -0.53 0.00 -2.18 0.00 0.00 60.65 58.19 3ho8 h LYS 467 Cb -0.12 -0.28 0.05 0.00 -1.58 0.00 0.00 32.23 30.30 3ho8 h LYS 467 CO -0.07 0.84 0.81 1.21 -1.08 0.00 0.00 179.45 181.16 3ho8 s ASN 468 N -6.17 6.63 0.41 0.86 2.47 -0.57 -4.85 114.94 113.72 3ho8 s ASN 468 Ca -0.13 2.63 0.15 0.00 0.42 0.00 0.00 52.86 55.93 3ho8 s ASN 468 Cb 0.18 -2.61 1.02 0.00 -1.45 0.00 0.00 41.25 38.39 3ho8 s ASN 468 CO 0.81 -0.75 1.89 0.50 -3.72 0.00 0.00 177.10 175.83 3ho8 h LYS 469 N 5.90 0.45 0.01 0.43 3.64 -1.90 -0.87 116.57 124.22 3ho8 h LYS 469 Ca -0.44 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 58.71 3ho8 h LYS 469 Cb 1.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3ho8 h LYS 469 CO 0.84 0.30 -0.89 0.87 -2.27 0.00 0.00 179.45 178.30 3ho8 h LYS 470 N 0.46 0.17 0.29 1.90 1.79 -1.94 -2.31 116.57 116.93 3ho8 h LYS 470 Ca 0.42 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 3ho8 h LYS 470 Cb 0.94 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3ho8 h LYS 470 CO -0.16 0.95 -0.14 0.35 -1.08 0.00 0.00 179.45 179.37 3ho8 h PHE 471 N 0.09 -0.37 -1.00 -1.35 3.04 -1.46 -3.21 116.94 112.69 3ho8 h PHE 471 Ca -0.04 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.01 3ho8 h PHE 471 Cb 1.53 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 40.08 3ho8 h PHE 471 CO 0.03 -0.04 0.63 1.15 -2.02 0.00 0.00 178.31 178.05 3ho8 h THR 472 N -0.71 0.94 -0.67 4.41 2.02 -1.47 -1.15 112.91 116.29 3ho8 h THR 472 Ca -0.04 -0.35 0.19 0.00 0.77 0.00 0.00 66.41 66.99 3ho8 h THR 472 Cb 0.49 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3ho8 h THR 472 CO 0.07 0.18 0.71 -1.28 0.37 0.00 0.00 175.52 175.57 3ho8 h SER 473 N 1.01 0.00 0.00 4.18 0.87 -1.41 -3.45 113.55 114.75 3ho8 h SER 473 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3ho8 h SER 473 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3ho8 h SER 473 CO -0.25 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 3ho8 n GLY 474 N -1.58 2.55 1.13 5.77 0.00 -0.43 -4.82 105.19 107.80 3ho8 n GLY 474 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3ho8 n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ho8 n ASP 475 N 0.00 2.96 -4.79 1.61 10.43 -1.26 -4.37 116.55 121.13 3ho8 n ASP 475 Ca 0.00 -2.42 -0.33 0.00 2.57 0.00 0.00 54.79 54.62 3ho8 n ASP 475 Cb 0.00 -0.59 0.03 0.00 1.84 0.00 0.00 41.12 42.40 3ho8 n ASP 475 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ho8 s TYR 476 N -1.64 2.79 0.53 1.24 1.13 -1.25 -5.07 117.35 115.10 3ho8 s TYR 476 Ca 0.22 1.53 0.02 0.00 -1.41 0.00 0.00 57.07 57.43 3ho8 s TYR 476 Cb 0.17 -3.10 0.02 0.00 -1.10 0.00 0.00 41.96 37.96 3ho8 s TYR 476 CO 0.06 -1.42 0.20 0.25 -2.51 0.00 0.00 175.55 172.13 3ho8 n THR 477 N -2.23 0.00 0.33 -3.49 -2.24 -1.26 -4.92 114.28 100.47 3ho8 n THR 477 Ca 0.10 -2.32 0.12 0.00 -2.27 0.00 0.00 64.05 59.67 3ho8 n THR 477 Cb 0.52 0.24 0.51 0.00 -2.10 0.00 0.00 70.33 69.50 3ho8 n THR 477 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ho8 n THR 478 N -1.54 0.89 0.12 4.28 -2.24 -1.12 -2.06 114.28 112.61 3ho8 n THR 478 Ca -0.12 0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 3ho8 n THR 478 Cb 0.64 -1.31 0.14 0.00 -2.10 0.00 0.00 70.33 67.70 3ho8 n THR 478 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ho8 h LYS 479 N 0.00 0.07 -0.09 -0.78 1.79 -1.85 -3.39 116.57 112.32 3ho8 h LYS 479 Ca 0.00 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3ho8 h LYS 479 Cb 0.27 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3ho8 h LYS 479 CO 0.00 0.69 -0.05 0.34 -1.08 0.00 0.00 179.45 179.35 3ho8 n PHE 480 N -3.79 -0.04 -0.21 -1.35 7.35 -0.88 -0.41 117.46 118.13 3ho8 n PHE 480 Ca -0.02 0.12 -0.04 0.00 -0.76 0.00 0.00 57.45 56.75 3ho8 n PHE 480 Cb 0.64 -0.30 0.06 0.00 0.35 0.00 0.00 39.48 40.23 3ho8 n PHE 480 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3ho8 h ILE 481 N 0.00 1.05 0.00 -2.13 2.04 -1.78 -1.07 117.51 115.62 3ho8 h ILE 481 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ho8 h ILE 481 Cb 0.04 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3ho8 h ILE 481 CO -0.09 0.13 0.00 -1.84 0.00 0.00 0.00 178.15 176.35 3ho8 n GLU 482 N -4.75 0.12 0.00 2.37 0.28 0.45 -2.81 120.64 116.30 3ho8 n GLU 482 Ca 0.06 0.03 0.09 0.00 -0.16 0.00 0.00 57.16 57.19 3ho8 n GLU 482 Cb 0.10 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.50 3ho8 n GLU 482 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ho8 n GLU 483 N -1.43 1.58 -3.73 3.44 1.02 -0.51 -4.86 120.64 116.15 3ho8 n GLU 483 Ca 0.09 -1.16 -0.29 0.00 -0.02 0.00 0.00 57.16 55.78 3ho8 n GLU 483 Cb 0.29 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 30.22 3ho8 n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ho8 s THR 484 N -1.98 1.71 0.21 2.62 2.01 -0.60 -4.97 115.64 114.63 3ho8 s THR 484 Ca 0.18 -3.06 -0.05 0.00 0.31 0.00 0.00 61.69 59.07 3ho8 s THR 484 Cb 0.16 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.52 3ho8 s THR 484 CO 0.40 -0.97 1.61 1.55 -0.69 0.00 0.00 174.62 176.53 3ho8 h PRO 485 N 6.21 0.80 -0.21 4.92 0.13 -1.89 -3.09 132.00 138.86 3ho8 h PRO 485 Ca 0.06 -0.33 0.06 0.00 -0.87 0.00 0.00 66.00 64.93 3ho8 h PRO 485 Cb 0.88 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3ho8 h PRO 485 CO 0.54 0.95 0.25 1.05 -0.23 0.00 0.00 178.00 180.56 3ho8 h GLU 486 N 0.69 0.00 -0.79 0.86 9.09 -1.96 -0.35 114.58 122.12 3ho8 h GLU 486 Ca 0.09 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.64 3ho8 h GLU 486 Cb 0.76 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.77 3ho8 h GLU 486 CO 0.06 0.00 0.38 -0.07 0.05 0.00 0.00 179.01 179.43 3ho8 h LEU 487 N 0.00 0.44 -0.32 3.06 4.07 -1.89 -2.44 115.31 118.23 3ho8 h LEU 487 Ca 0.10 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3ho8 h LEU 487 Cb 0.59 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3ho8 h LEU 487 CO -0.00 0.20 0.00 0.49 -1.08 0.00 0.00 178.44 178.05 3ho8 n PHE 488 N -4.91 0.08 -2.63 1.13 3.01 -0.14 -4.56 117.46 109.45 3ho8 n PHE 488 Ca 0.15 -0.04 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 3ho8 n PHE 488 Cb 0.39 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 3ho8 n PHE 488 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ho8 s ASP 489 N -1.39 6.40 0.37 4.37 -0.00 -0.92 -5.00 116.67 120.50 3ho8 s ASP 489 Ca 0.22 -1.23 0.07 0.00 -0.00 0.00 0.00 52.55 51.62 3ho8 s ASP 489 Cb 0.11 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.48 3ho8 s ASP 489 CO 0.17 -1.53 0.39 0.27 -0.00 0.00 0.00 175.17 174.47 3ho8 s ILE 490 N 4.81 3.35 -0.06 0.77 -4.36 -1.26 -5.06 121.20 119.40 3ho8 s ILE 490 Ca 0.40 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.53 3ho8 s ILE 490 Cb -0.04 -3.16 0.04 0.00 1.25 0.00 0.00 42.46 40.55 3ho8 s ILE 490 CO -0.02 -0.10 0.12 0.00 0.24 0.00 0.00 174.94 175.18 3ho8 s GLN 491 N -4.12 0.01 0.06 0.37 -2.07 -1.26 -5.12 119.66 107.53 3ho8 s GLN 491 Ca 0.46 0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 54.13 3ho8 s GLN 491 Cb -0.07 -0.30 -0.08 0.00 -1.09 0.00 0.00 33.01 31.47 3ho8 s GLN 491 CO 0.29 -0.26 1.72 -1.25 -1.32 0.00 0.00 175.29 174.46 3ho8 s PRO 492 N 1.87 4.18 -0.95 9.60 0.04 -1.26 -4.89 135.00 143.58 3ho8 s PRO 492 Ca -0.01 2.38 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 3ho8 s PRO 492 Cb -0.12 -3.72 0.04 0.00 0.04 0.00 0.00 34.50 30.74 3ho8 s PRO 492 CO -0.05 -0.79 1.44 -1.54 0.04 0.00 0.00 177.00 176.10 3ho8 s SER 493 N 2.82 6.36 0.00 6.66 1.04 -1.26 -4.85 113.70 124.47 3ho8 s SER 493 Ca 0.77 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3ho8 s SER 493 Cb -0.40 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.15 3ho8 s SER 493 CO 0.34 -1.64 0.06 0.18 0.98 0.00 0.00 173.24 173.15 3ho8 n LEU 494 N 9.26 0.00 -3.70 2.42 4.77 -1.26 -4.72 117.00 123.78 3ho8 n LEU 494 Ca 0.27 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 3ho8 n LEU 494 Cb 0.50 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3ho8 n LEU 494 CO 0.67 0.00 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.99 3ho8 n ASP 495 N -0.41 -5.32 0.16 -1.43 4.64 -1.26 -4.83 116.55 108.09 3ho8 n ASP 495 Ca 0.00 -0.97 0.13 0.00 -1.38 0.00 0.00 54.79 52.57 3ho8 n ASP 495 Cb 0.00 -3.06 0.48 0.00 -1.04 0.00 0.00 41.12 37.50 3ho8 n ASP 495 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3ho8 h ARG 496 N -1.60 0.00 0.33 -0.67 3.08 -1.98 -2.59 114.38 110.95 3ho8 h ARG 496 Ca -0.61 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.42 3ho8 h ARG 496 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3ho8 h ARG 496 CO 0.46 0.00 -0.16 0.78 -1.07 0.00 0.00 179.97 179.98 3ho8 h GLY 497 N 2.91 -0.46 0.41 0.04 0.00 -1.99 -2.93 103.07 101.06 3ho8 h GLY 497 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.63 3ho8 h GLY 497 CO 0.00 -0.17 0.62 -0.84 0.00 0.00 0.00 176.54 176.15 3ho8 h THR 498 N -0.66 0.88 -0.27 4.70 2.02 -1.93 -2.82 112.91 114.83 3ho8 h THR 498 Ca -0.05 -0.32 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 3ho8 h THR 498 Cb 0.34 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3ho8 h THR 498 CO 0.07 0.17 -0.44 0.11 0.37 0.00 0.00 175.52 175.81 3ho8 h LYS 499 N 0.95 0.68 -0.60 6.66 1.57 -1.57 0.30 116.57 124.55 3ho8 h LYS 499 Ca 0.51 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3ho8 h LYS 499 Cb 0.55 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3ho8 h LYS 499 CO -0.29 0.98 0.23 1.15 -0.57 0.00 0.00 179.45 180.95 3ho8 h THR 500 N 0.55 1.22 -0.08 -0.16 2.02 -1.30 -0.11 112.91 115.05 3ho8 h THR 500 Ca 0.04 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 3ho8 h THR 500 Cb 0.98 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ho8 h THR 500 CO 0.09 0.27 -0.25 -0.07 0.37 0.00 0.00 175.52 175.93 3ho8 h LEU 501 N 0.87 0.36 -1.77 2.58 3.38 -1.23 -1.19 115.31 118.30 3ho8 h LEU 501 Ca 0.20 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3ho8 h LEU 501 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ho8 h LEU 501 CO -0.02 0.91 -0.02 -0.08 0.09 0.00 0.00 178.44 179.32 3ho8 h GLU 502 N -0.18 0.11 0.05 1.13 4.57 -0.29 -0.30 114.58 119.67 3ho8 h GLU 502 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3ho8 h GLU 502 Cb 0.88 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3ho8 h GLU 502 CO 0.05 0.15 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.09 3ho8 h TYR 503 N 0.11 -0.06 -0.57 0.92 5.03 -1.00 -3.20 116.97 118.19 3ho8 h TYR 503 Ca 0.03 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.38 3ho8 h TYR 503 Cb 0.12 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.38 3ho8 h TYR 503 CO 0.00 0.58 0.32 0.82 -1.32 0.00 0.00 178.16 178.56 3ho8 h ILE 504 N -0.87 1.00 -0.73 1.81 2.04 -0.95 -1.96 117.51 117.85 3ho8 h ILE 504 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3ho8 h ILE 504 Cb 0.67 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3ho8 h ILE 504 CO 0.01 0.11 0.42 1.23 0.00 0.00 0.00 178.15 179.92 3ho8 h GLY 505 N 0.62 1.07 1.08 5.37 0.00 -1.21 -0.69 103.07 109.31 3ho8 h GLY 505 Ca 0.25 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 3ho8 h GLY 505 CO -0.14 0.44 -0.14 -0.57 0.00 0.00 0.00 176.54 176.13 3ho8 h ASN 506 N 1.02 0.99 0.17 0.19 -0.00 -1.36 -2.21 115.58 114.38 3ho8 h ASN 506 Ca 0.26 -0.37 -0.22 0.00 -0.00 0.00 0.00 56.30 55.98 3ho8 h ASN 506 Cb -0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.05 3ho8 h ASN 506 CO -0.05 1.13 -0.86 0.58 -0.00 0.00 0.00 177.43 178.24 3ho8 h VAL 507 N 0.85 1.35 -0.54 2.57 2.07 -1.37 -1.25 116.25 119.93 3ho8 h VAL 507 Ca 0.13 -2.23 0.09 0.00 0.82 0.00 0.00 66.70 65.51 3ho8 h VAL 507 Cb 0.71 2.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 3ho8 h VAL 507 CO 0.05 0.68 0.13 0.74 0.02 0.00 0.00 177.57 179.19 3ho8 h THR 508 N 0.33 0.70 0.05 2.57 2.02 -0.93 0.43 112.91 118.09 3ho8 h THR 508 Ca -0.07 -0.09 -0.38 0.00 0.77 0.00 0.00 66.41 66.65 3ho8 h THR 508 Cb 1.48 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3ho8 h THR 508 CO 0.16 0.05 -2.22 -0.38 0.37 0.00 0.00 175.52 173.49 3ho8 n ILE 509 N -5.10 1.62 0.81 3.11 5.41 -0.85 -4.45 119.36 119.92 3ho8 n ILE 509 Ca 0.07 -0.57 0.09 0.00 1.00 0.00 0.00 62.75 63.33 3ho8 n ILE 509 Cb 0.27 -1.61 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 3ho8 n ILE 509 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ho8 n ASN 510 N -3.46 1.44 -0.78 4.38 3.02 -0.48 -4.99 115.26 114.40 3ho8 n ASN 510 Ca -0.40 -1.22 0.10 0.00 -0.03 0.00 0.00 54.58 53.03 3ho8 n ASN 510 Cb 1.00 0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 40.77 3ho8 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ho8 n GLY 511 N 1.30 -2.76 3.83 7.41 0.00 0.15 -4.94 105.19 110.18 3ho8 n GLY 511 Ca 0.06 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3ho8 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ho8 s PHE 512 N -3.31 3.27 0.01 1.61 5.36 -1.26 -4.73 117.98 118.94 3ho8 s PHE 512 Ca 0.00 1.48 -0.20 0.00 -0.96 0.00 0.00 56.93 57.26 3ho8 s PHE 512 Cb 0.00 -2.88 -0.06 0.00 -0.34 0.00 0.00 43.02 39.74 3ho8 s PHE 512 CO 0.00 -0.67 0.57 -1.25 -1.46 0.00 0.00 175.22 172.41 3ho8 s PRO 513 N -4.07 4.25 0.00 10.12 0.04 -1.26 -3.77 135.00 140.32 3ho8 s PRO 513 Ca 0.61 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3ho8 s PRO 513 Cb -0.12 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3ho8 s PRO 513 CO 0.34 0.46 0.00 0.09 0.04 0.00 0.00 177.00 177.93 3ho8 n ASN 515 N 2.40 -2.79 0.00 6.66 3.02 -1.26 -5.05 115.26 118.23 3ho8 n ASN 515 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3ho8 n ASN 515 Cb 0.51 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3ho8 n ASN 515 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3ho8 n VAL 516 N -2.93 0.00 -4.50 2.41 0.31 -1.25 -4.84 118.33 107.53 3ho8 n VAL 516 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 3ho8 n VAL 516 Cb 0.00 -0.11 -0.15 0.00 -0.91 0.00 0.00 33.84 32.67 3ho8 n VAL 516 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3ho8 s GLU 517 N 2.57 1.08 -0.58 5.55 2.02 -1.26 -5.04 118.70 123.04 3ho8 s GLU 517 Ca 0.00 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 3ho8 s GLU 517 Cb 0.00 -1.01 -0.07 0.00 0.10 0.00 0.00 34.13 33.15 3ho8 s GLU 517 CO 0.00 0.18 2.04 1.63 0.02 0.00 0.00 175.26 179.13 3ho8 n LYS 518 N 3.09 1.63 -2.73 1.61 4.76 -1.26 -4.87 118.16 120.38 3ho8 n LYS 518 Ca -0.17 -1.11 -0.20 0.00 -2.87 0.00 0.00 58.31 53.97 3ho8 n LYS 518 Cb 0.55 -2.21 0.04 0.00 -1.84 0.00 0.00 35.03 31.56 3ho8 n LYS 518 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3ho8 s ARG 519 N 3.06 2.54 0.00 1.97 1.70 -1.26 -5.13 118.95 121.84 3ho8 s ARG 519 Ca 0.35 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 3ho8 s ARG 519 Cb 0.11 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 3ho8 s ARG 519 CO -0.02 -0.67 0.00 -2.30 -1.08 0.00 0.00 175.30 171.23 3ho8 n PRO 520 N -2.26 2.18 -3.75 3.89 -0.02 -1.26 -5.03 135.00 128.75 3ho8 n PRO 520 Ca 0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 3ho8 n PRO 520 Cb 0.60 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.91 3ho8 n PRO 520 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ho8 s LYS 521 N 0.00 0.66 0.00 -0.52 2.20 -1.26 -5.03 119.74 115.78 3ho8 s LYS 521 Ca 0.00 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3ho8 s LYS 521 Cb 0.00 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 3ho8 s LYS 521 CO 0.00 -0.51 0.00 -0.35 -0.36 0.00 0.00 175.35 174.13 3ho8 n PRO 522 N 5.09 0.00 -3.14 4.03 -0.04 -1.26 -5.00 135.00 134.67 3ho8 n PRO 522 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.24 3ho8 n PRO 522 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 3ho8 n PRO 522 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ho8 n ASP 523 N 0.00 -7.09 -0.72 3.54 8.00 -1.26 -4.99 116.55 114.03 3ho8 n ASP 523 Ca 0.00 0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.66 3ho8 n ASP 523 Cb 0.00 -4.23 0.07 0.00 -0.02 0.00 0.00 41.12 36.94 3ho8 n ASP 523 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ho8 n TYR 524 N -0.94 0.00 -3.42 1.24 4.02 -1.26 -4.66 117.16 112.14 3ho8 n TYR 524 Ca -0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.45 3ho8 n TYR 524 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.79 3ho8 n TYR 524 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ho8 s GLU 525 N -1.54 2.89 -1.13 -0.72 8.01 -1.26 -5.00 118.70 119.96 3ho8 s GLU 525 Ca 0.21 -1.47 -0.17 0.00 0.01 0.00 0.00 54.97 53.54 3ho8 s GLU 525 Cb 0.15 -4.10 0.12 0.00 -4.31 0.00 0.00 34.13 25.99 3ho8 s GLU 525 CO 0.24 -1.09 1.42 -0.51 0.01 0.00 0.00 175.26 175.32 3ho8 s LEU 526 N 1.58 4.56 -0.07 1.80 1.43 -1.26 -4.99 118.68 121.73 3ho8 s LEU 526 Ca 0.04 -2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 50.44 3ho8 s LEU 526 Cb -0.25 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 3ho8 s LEU 526 CO 0.05 -1.03 1.10 0.00 0.23 0.00 0.00 176.35 176.69 3ho8 s ALA 527 N 2.94 3.43 1.03 4.21 0.00 -1.26 -5.03 121.76 127.08 3ho8 s ALA 527 Ca 0.43 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 3ho8 s ALA 527 Cb -0.01 -3.47 0.20 0.00 0.00 0.00 0.00 23.12 19.84 3ho8 s ALA 527 CO -0.02 -0.64 1.09 0.45 0.00 0.00 0.00 175.76 176.63 3ho8 s SER 528 N 1.26 2.39 -0.40 0.00 0.15 -1.26 -5.00 113.70 110.84 3ho8 s SER 528 Ca 0.52 1.16 0.01 0.00 0.70 0.00 0.00 55.95 58.34 3ho8 s SER 528 Cb -0.22 -1.82 0.11 0.00 -1.71 0.00 0.00 66.02 62.38 3ho8 s SER 528 CO 0.21 -3.28 0.15 -0.63 1.20 0.00 0.00 173.24 170.89 3ho8 s ILE 529 N -2.94 2.76 0.26 6.45 1.01 -1.26 -4.92 121.20 122.55 3ho8 s ILE 529 Ca 0.66 -2.37 -0.30 0.00 0.00 0.00 0.00 60.65 58.64 3ho8 s ILE 529 Cb -0.19 -2.95 -0.11 0.00 0.01 0.00 0.00 42.46 39.22 3ho8 s ILE 529 CO 0.58 -0.67 1.58 -2.16 0.00 0.00 0.00 174.94 174.27 3ho8 s PRO 530 N 0.82 4.16 0.33 2.79 0.04 -1.26 -4.98 135.00 136.90 3ho8 s PRO 530 Ca 0.11 2.51 0.03 0.00 0.04 0.00 0.00 61.00 63.69 3ho8 s PRO 530 Cb -0.21 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 3ho8 s PRO 530 CO -0.06 -0.61 0.07 0.95 0.04 0.00 0.00 177.00 177.40 3ho8 s THR 531 N 0.30 1.05 -0.04 1.26 -4.23 -1.26 -4.38 115.64 108.33 3ho8 s THR 531 Ca 0.65 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3ho8 s THR 531 Cb -0.47 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 70.68 3ho8 s THR 531 CO 0.43 0.00 0.03 -0.69 -0.54 0.00 0.00 174.62 173.84 3ho8 s VAL 532 N -3.34 0.10 -0.12 2.29 1.01 -1.26 -4.87 120.40 114.21 3ho8 s VAL 532 Ca 0.35 0.24 -0.41 0.00 0.00 0.00 0.00 61.98 62.16 3ho8 s VAL 532 Cb 0.08 -0.28 -0.20 0.00 0.00 0.00 0.00 36.38 35.98 3ho8 s VAL 532 CO 0.15 0.19 1.23 -1.54 0.00 0.00 0.00 175.10 175.12 3ho8 n SER 533 N 4.90 0.44 0.24 3.32 3.41 -1.26 -4.81 113.62 119.86 3ho8 n SER 533 Ca -0.12 1.16 0.11 0.00 -0.26 0.00 0.00 58.87 59.76 3ho8 n SER 533 Cb 0.50 -0.93 0.62 0.00 -0.26 0.00 0.00 64.21 64.14 3ho8 n SER 533 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ho8 h SER 534 N 3.66 0.00 -0.49 4.04 4.64 -1.99 -1.91 113.55 121.51 3ho8 h SER 534 Ca -0.49 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 3ho8 h SER 534 Cb 1.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 3ho8 h SER 534 CO 0.74 0.18 0.04 0.77 -0.87 0.00 0.00 176.83 177.69 3ho8 h SER 535 N 0.00 0.86 -0.59 4.97 4.64 -1.99 -0.03 113.55 121.42 3ho8 h SER 535 Ca -0.00 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 3ho8 h SER 535 Cb 0.46 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3ho8 h SER 535 CO 0.02 0.89 0.25 0.11 -0.87 0.00 0.00 176.83 177.23 3ho8 h LYS 536 N 0.84 0.87 0.38 4.77 1.79 -1.70 -3.00 116.57 120.52 3ho8 h LYS 536 Ca 0.17 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3ho8 h LYS 536 Cb 0.44 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3ho8 h LYS 536 CO 0.02 0.73 -0.25 0.82 -1.08 0.00 0.00 179.45 179.69 3ho8 h ILE 537 N 0.81 0.49 0.00 1.86 2.04 -1.28 -2.53 117.51 118.89 3ho8 h ILE 537 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3ho8 h ILE 537 Cb 0.18 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3ho8 h ILE 537 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.13 3ho8 n ALA 538 N -2.45 0.93 0.00 1.87 0.00 -0.05 0.61 120.51 121.43 3ho8 n ALA 538 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ho8 n ALA 538 Cb 0.28 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3ho8 n ALA 538 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ho8 n SER 538 N -0.69 0.94 -4.73 0.00 3.41 -0.97 -5.00 113.62 106.59 3ho8 n SER 538 Ca 0.00 -0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 57.98 3ho8 n SER 538 Cb 0.00 0.79 0.10 0.00 -0.26 0.00 0.00 64.21 64.84 3ho8 n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ho8 s PHE 538 N -0.98 2.14 -0.31 7.33 2.99 0.20 -5.03 117.98 124.33 3ho8 s PHE 538 Ca 0.00 1.63 0.05 0.00 0.00 0.00 0.00 56.93 58.61 3ho8 s PHE 538 Cb 0.00 -3.31 0.18 0.00 0.00 0.00 0.00 43.02 39.90 3ho8 s PHE 538 CO 0.00 -2.35 0.53 0.45 -0.00 0.00 0.00 175.22 173.85 3ho8 s SER 539 N -2.54 -0.85 0.00 1.36 0.15 -1.26 -4.88 113.70 105.68 3ho8 s SER 539 Ca 0.69 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3ho8 s SER 539 Cb -0.24 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3ho8 s SER 539 CO 0.50 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.24 3ho8 n GLY 540 N 5.25 5.42 0.29 9.45 0.00 -1.24 -4.98 105.19 119.38 3ho8 n GLY 540 Ca 0.04 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 3ho8 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ho8 h THR 541 N 0.00 1.20 -0.98 2.61 1.35 -1.78 -0.28 112.91 115.03 3ho8 h THR 541 Ca 0.00 -0.36 0.13 0.00 -0.55 0.00 0.00 66.41 65.63 3ho8 h THR 541 Cb 0.00 0.09 -0.09 0.00 -1.73 0.00 0.00 68.15 66.42 3ho8 h THR 541 CO 0.00 0.19 0.60 0.50 -0.25 0.00 0.00 175.52 176.56 3ho8 h LYS 542 N 1.02 0.89 -0.30 4.72 3.11 -1.36 0.56 116.57 125.21 3ho8 h LYS 542 Ca 0.28 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.99 3ho8 h LYS 542 Cb -0.11 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 30.91 3ho8 h LYS 542 CO -0.06 0.59 -0.09 1.96 -2.81 0.00 0.00 179.45 179.04 3ho8 h GLN 543 N 0.92 0.59 -0.17 1.90 7.50 -1.43 -2.93 115.11 121.49 3ho8 h GLN 543 Ca 0.50 -0.24 0.01 0.00 0.50 0.00 0.00 58.65 59.43 3ho8 h GLN 543 Cb 0.55 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 3ho8 h GLN 543 CO -0.29 0.79 0.07 1.25 -1.50 0.00 0.00 178.83 179.15 3ho8 h LEU 544 N 0.36 0.09 -1.99 1.46 5.85 0.94 -1.68 115.31 120.33 3ho8 h LEU 544 Ca 0.07 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.90 3ho8 h LEU 544 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3ho8 h LEU 544 CO 0.03 0.08 0.23 0.25 -0.34 0.00 0.00 178.44 178.69 3ho8 h LEU 545 N 0.16 0.01 -0.28 2.25 5.85 -0.01 -0.39 115.31 122.89 3ho8 h LEU 545 Ca 0.07 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 3ho8 h LEU 545 Cb 0.03 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ho8 h LEU 545 CO -0.07 0.01 -0.88 0.44 -0.34 0.00 0.00 178.44 177.61 3ho8 h ASP 546 N 0.01 0.18 0.16 1.25 3.32 -1.13 -2.61 116.42 117.60 3ho8 h ASP 546 Ca 0.15 -0.15 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3ho8 h ASP 546 Cb 0.59 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.11 3ho8 h ASP 546 CO -0.00 0.97 -1.10 -0.33 -1.72 0.00 0.00 179.24 177.05 3ho8 h GLU 547 N 0.07 0.46 0.00 3.56 4.39 -0.54 -3.41 114.58 119.12 3ho8 h GLU 547 Ca -0.04 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.95 3ho8 h GLU 547 Cb 1.51 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 3ho8 h GLU 547 CO 0.13 1.33 0.00 1.33 -1.16 0.00 0.00 179.01 180.64 3ho8 n VAL 548 N -3.94 0.43 -1.76 3.13 0.24 -0.59 -5.12 118.33 110.71 3ho8 n VAL 548 Ca -0.15 -0.51 0.10 0.00 -2.04 0.00 0.00 64.34 61.74 3ho8 n VAL 548 Cb 0.94 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 34.18 3ho8 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ho8 n GLY 549 N -0.21 -1.88 0.49 7.63 0.00 -0.98 -2.63 105.19 107.60 3ho8 n GLY 549 Ca 0.00 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 3ho8 n GLY 549 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ho8 h PRO 550 N 0.00 -1.12 -0.72 1.61 0.11 -1.82 -0.34 132.00 129.72 3ho8 h PRO 550 Ca 0.01 0.08 0.16 0.00 0.11 0.00 0.00 66.00 66.36 3ho8 h PRO 550 Cb 0.66 0.25 -0.12 0.00 0.11 0.00 0.00 31.00 31.90 3ho8 h PRO 550 CO 0.00 -0.74 0.01 0.87 -0.21 0.00 0.00 178.00 177.93 3ho8 h LYS 551 N -1.16 0.11 0.00 1.05 1.57 -1.94 -0.11 116.57 116.09 3ho8 h LYS 551 Ca -0.11 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3ho8 h LYS 551 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3ho8 h LYS 551 CO 0.13 0.07 -0.25 0.78 -0.57 0.00 0.00 179.45 179.61 3ho8 h GLY 552 N 0.11 0.00 0.94 3.86 0.00 -1.40 -1.38 103.07 105.21 3ho8 h GLY 552 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.58 3ho8 h GLY 552 CO -0.63 0.00 -0.45 -2.08 0.00 0.00 0.00 176.54 173.38 3ho8 h VAL 553 N 0.00 1.33 -0.22 4.60 2.07 0.64 -2.79 116.25 121.87 3ho8 h VAL 553 Ca -0.00 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 3ho8 h VAL 553 Cb 0.76 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 3ho8 h VAL 553 CO 0.03 0.52 -0.16 0.00 0.02 0.00 0.00 177.57 177.99 3ho8 h ALA 554 N 0.57 1.32 -0.51 1.67 0.00 -0.77 -0.49 119.26 121.05 3ho8 h ALA 554 Ca -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3ho8 h ALA 554 Cb 1.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ho8 h ALA 554 CO 0.10 0.46 -0.03 0.93 0.00 0.00 0.00 179.25 180.71 3ho8 h GLU 555 N 0.35 0.88 -0.32 0.00 4.39 -1.32 -2.69 114.58 115.87 3ho8 h GLU 555 Ca 0.07 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 3ho8 h GLU 555 Cb 0.49 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3ho8 h GLU 555 CO 0.03 0.89 0.07 2.35 -1.16 0.00 0.00 179.01 181.19 3ho8 h TRP 556 N 0.81 0.56 -0.50 4.33 7.01 -1.04 -2.98 115.95 124.13 3ho8 h TRP 556 Ca 0.15 -0.07 0.10 0.00 2.11 0.00 0.00 58.89 61.17 3ho8 h TRP 556 Cb 0.52 -0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.34 3ho8 h TRP 556 CO 0.03 0.59 -0.02 0.28 -2.79 0.00 0.00 178.44 176.53 3ho8 h VAL 557 N 0.36 0.59 -0.68 2.65 2.07 -1.08 -2.71 116.25 117.46 3ho8 h VAL 557 Ca 0.10 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.72 3ho8 h VAL 557 Cb 0.32 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 3ho8 h VAL 557 CO 0.00 0.02 0.21 0.11 0.02 0.00 0.00 177.57 177.93 3ho8 h LYS 558 N 0.09 0.33 -0.75 1.57 1.57 -1.33 -2.18 116.57 115.87 3ho8 h LYS 558 Ca 0.25 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 3ho8 h LYS 558 Cb 0.38 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3ho8 h LYS 558 CO -0.43 0.22 0.49 0.87 -0.57 0.00 0.00 179.45 180.03 3ho8 h LYS 559 N 0.34 0.69 -6.70 3.15 1.57 -1.36 -3.45 116.57 110.80 3ho8 h LYS 559 Ca 0.37 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.58 3ho8 h LYS 559 Cb 0.56 -0.16 0.06 0.00 0.08 0.00 0.00 32.23 32.77 3ho8 h LYS 559 CO -0.41 0.46 0.89 -0.65 -0.57 0.00 0.00 179.45 179.16 3ho8 s GLN 560 N -5.65 4.18 -0.07 3.15 -1.52 -0.82 -4.94 119.66 113.98 3ho8 s GLN 560 Ca -0.10 2.47 -0.25 0.00 -1.95 0.00 0.00 55.36 55.54 3ho8 s GLN 560 Cb 0.20 -3.09 -0.27 0.00 -0.22 0.00 0.00 33.01 29.63 3ho8 s GLN 560 CO 0.77 -0.61 0.90 0.22 -0.25 0.00 0.00 175.29 176.32 3ho8 h ASP 561 N 5.88 0.27 -3.77 5.90 3.58 -1.89 -3.47 116.42 122.92 3ho8 h ASP 561 Ca -0.45 -0.92 -0.49 0.00 0.42 0.00 0.00 57.03 55.59 3ho8 h ASP 561 Cb 1.21 -0.09 0.21 0.00 1.72 0.00 0.00 39.33 42.38 3ho8 h ASP 561 CO 0.86 1.16 0.00 0.47 -2.88 0.00 0.00 179.24 178.86 3ho8 n ASP 562 N -4.37 -0.66 -4.60 2.28 8.00 -1.26 -4.77 116.55 111.17 3ho8 n ASP 562 Ca -0.11 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 3ho8 n ASP 562 Cb 0.63 -1.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.30 3ho8 n ASP 562 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ho8 s VAL 563 N -2.53 5.01 0.24 2.53 1.01 -0.27 -4.92 120.40 121.47 3ho8 s VAL 563 Ca 0.66 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 3ho8 s VAL 563 Cb -0.23 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 3ho8 s VAL 563 CO 0.62 -0.07 1.06 -0.76 0.00 0.00 0.00 175.10 175.95 3ho8 s LEU 564 N 2.45 4.56 0.15 3.92 1.43 -1.01 -2.76 118.68 127.42 3ho8 s LEU 564 Ca 0.22 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.54 3ho8 s LEU 564 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3ho8 s LEU 564 CO 0.11 -0.09 -0.05 -1.48 0.23 0.00 0.00 176.35 175.07 3ho8 s LEU 565 N -1.10 3.18 -0.20 1.79 0.05 -1.26 -2.07 118.68 119.07 3ho8 s LEU 565 Ca 0.45 -0.42 -0.04 0.00 0.05 0.00 0.00 54.13 54.17 3ho8 s LEU 565 Cb -0.30 -1.88 -0.02 0.00 -2.05 0.00 0.00 46.19 41.94 3ho8 s LEU 565 CO 0.37 0.12 -0.02 -0.89 -0.55 0.00 0.00 176.35 175.38 3ho8 s THR 566 N -1.56 3.76 0.04 5.48 2.01 0.23 -1.35 115.64 124.24 3ho8 s THR 566 Ca 0.25 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 3ho8 s THR 566 Cb -0.10 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3ho8 s THR 566 CO 0.17 0.44 0.77 -0.62 -0.69 0.00 0.00 174.62 174.69 3ho8 s ASP 567 N 1.00 7.21 -0.16 3.53 2.15 -1.03 0.13 116.67 129.49 3ho8 s ASP 567 Ca 0.01 1.44 0.16 0.00 0.43 0.00 0.00 52.55 54.59 3ho8 s ASP 567 Cb -0.14 -2.47 0.56 0.00 -0.30 0.00 0.00 42.92 40.57 3ho8 s ASP 567 CO 0.01 -0.00 1.47 0.35 -0.17 0.00 0.00 175.17 176.83 3ho8 n THR 568 N 2.90 2.15 -0.11 1.71 -2.24 0.29 -0.59 114.28 118.40 3ho8 n THR 568 Ca -0.02 -1.63 -0.09 0.00 -2.27 0.00 0.00 64.05 60.04 3ho8 n THR 568 Cb 0.50 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 3ho8 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ho8 h THR 569 N 2.37 1.11 0.00 4.28 2.02 -1.76 -0.75 112.91 120.18 3ho8 h THR 569 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3ho8 h THR 569 Cb 1.43 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3ho8 h THR 569 CO 0.24 0.11 -0.06 -0.26 0.37 0.00 0.00 175.52 175.91 3ho8 h PHE 570 N 0.45 0.00 0.00 3.16 0.04 -1.83 -3.37 116.94 115.40 3ho8 h PHE 570 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3ho8 h PHE 570 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3ho8 h PHE 570 CO -0.04 0.06 0.00 -2.13 -0.60 0.00 0.00 178.31 175.60 3ho8 n ARG 571 N -3.18 0.00 0.05 1.51 0.00 -0.98 -4.80 116.66 109.27 3ho8 n ARG 571 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.71 3ho8 n ARG 571 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 32.46 32.76 3ho8 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3ho8 h ASP 572 N 0.00 0.63 0.00 6.15 -0.00 -1.51 -2.52 116.42 119.17 3ho8 h ASP 572 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 3ho8 h ASP 572 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.14 3ho8 h ASP 572 CO 0.00 1.28 0.00 0.00 -0.00 0.00 0.00 179.24 180.52 3ho8 n ALA 573 N -2.56 -0.16 0.30 -0.78 0.00 -0.39 -0.81 120.51 116.10 3ho8 n ALA 573 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.55 3ho8 n ALA 573 Cb 0.82 0.32 0.86 0.00 0.00 0.00 0.00 19.45 21.45 3ho8 n ALA 573 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ho8 h HIS 574 N 0.00 0.00 -0.14 0.00 2.07 -1.71 -0.71 115.15 114.65 3ho8 h HIS 574 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 3ho8 h HIS 574 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3ho8 h HIS 574 CO -0.50 0.00 -0.50 0.37 -3.07 0.00 0.00 177.93 174.23 3ho8 h GLN 575 N 0.00 0.38 0.16 5.12 4.15 -0.94 0.26 115.11 124.24 3ho8 h GLN 575 Ca 0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 3ho8 h GLN 575 Cb 0.31 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3ho8 h GLN 575 CO 0.00 0.80 -0.08 0.77 -1.93 0.00 0.00 178.83 178.39 3ho8 h SER 576 N 0.30 -0.18 0.68 -0.69 0.02 -0.21 -3.32 113.55 110.15 3ho8 h SER 576 Ca 0.01 -0.35 -0.25 0.00 -0.84 0.00 0.00 61.79 60.36 3ho8 h SER 576 Cb 0.98 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 3ho8 h SER 576 CO 0.08 0.33 -1.46 -0.07 -1.14 0.00 0.00 176.83 174.58 3ho8 h LEU 577 N -0.78 0.00 -4.81 5.07 3.38 -1.09 -3.40 115.31 113.68 3ho8 h LEU 577 Ca -0.02 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.53 3ho8 h LEU 577 Cb 0.53 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.87 3ho8 h LEU 577 CO 0.04 0.93 -1.01 0.18 0.09 0.00 0.00 178.44 178.66 3ho8 n LEU 578 N -3.11 2.75 -4.11 1.67 4.77 0.80 -2.95 117.00 116.82 3ho8 n LEU 578 Ca -0.11 -4.09 -0.35 0.00 -0.03 0.00 0.00 56.01 51.43 3ho8 n LEU 578 Cb 0.99 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 42.12 3ho8 n LEU 578 CO 0.45 1.70 -0.19 0.00 -1.33 0.00 0.00 177.39 178.02 3ho8 n ALA 579 N -0.36 -1.20 -1.34 -1.18 0.00 -1.16 0.49 120.51 115.76 3ho8 n ALA 579 Ca 0.21 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3ho8 n ALA 579 Cb 0.79 -1.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 3ho8 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ho8 n THR 580 N -3.66 0.00 0.83 0.00 -1.04 -0.61 -4.88 114.28 104.91 3ho8 n THR 580 Ca 0.03 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.14 3ho8 n THR 580 Cb 0.43 -1.53 0.49 0.00 -1.82 0.00 0.00 70.33 67.90 3ho8 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ho8 n ARG 581 N -1.00 0.09 -1.94 -2.82 3.00 0.18 -4.88 116.66 109.29 3ho8 n ARG 581 Ca -0.12 0.11 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 3ho8 n ARG 581 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.52 3ho8 n ARG 581 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ho8 s VAL 582 N -2.88 2.59 0.52 1.55 1.01 -1.26 -4.96 120.40 116.97 3ho8 s VAL 582 Ca 0.13 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 3ho8 s VAL 582 Cb 0.14 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 3ho8 s VAL 582 CO 0.38 0.04 0.80 -0.13 0.00 0.00 0.00 175.10 176.19 3ho8 s ARG 583 N 0.74 3.06 0.15 2.72 0.52 -1.26 -5.00 118.95 119.87 3ho8 s ARG 583 Ca 0.68 -0.16 -0.17 0.00 -0.52 0.00 0.00 55.73 55.56 3ho8 s ARG 583 Cb -0.44 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 32.66 3ho8 s ARG 583 CO 0.35 -0.47 1.78 1.15 0.02 0.00 0.00 175.30 178.12 3ho8 h THR 584 N 0.09 1.00 -0.77 0.02 2.02 -1.93 -3.18 112.91 110.16 3ho8 h THR 584 Ca -0.46 -0.13 0.14 0.00 0.77 0.00 0.00 66.41 66.74 3ho8 h THR 584 Cb 1.25 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 68.16 3ho8 h THR 584 CO 0.60 0.07 0.31 0.50 0.37 0.00 0.00 175.52 177.37 3ho8 h LYS 585 N 0.37 0.44 0.55 6.66 3.64 -1.89 0.22 116.57 126.56 3ho8 h LYS 585 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3ho8 h LYS 585 Cb 0.04 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3ho8 h LYS 585 CO -0.09 0.29 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.68 3ho8 h ASP 586 N 0.46 -0.63 -0.36 4.20 3.45 -1.93 0.94 116.42 122.56 3ho8 h ASP 586 Ca 0.42 -0.02 0.08 0.00 0.43 0.00 0.00 57.03 57.94 3ho8 h ASP 586 Cb 0.64 0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 39.49 3ho8 h ASP 586 CO -0.40 -0.37 -0.25 0.24 -1.57 0.00 0.00 179.24 176.88 3ho8 h MET 587 N -0.85 -0.20 0.00 3.56 2.86 -1.31 -2.23 114.93 116.76 3ho8 h MET 587 Ca -0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ho8 h MET 587 Cb 0.61 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3ho8 h MET 587 CO 0.12 -0.13 0.00 0.97 1.06 0.00 0.00 176.91 178.93 3ho8 h ILE 588 N -0.20 0.00 0.00 -1.22 -0.00 -0.58 -2.12 117.51 113.38 3ho8 h ILE 588 Ca 0.17 -0.67 0.00 0.00 -0.00 0.00 0.00 64.86 64.36 3ho8 h ILE 588 Cb 0.48 1.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 3ho8 h ILE 588 CO -0.48 0.00 0.00 0.78 -0.00 0.00 0.00 178.15 178.45 3ho8 h ASN 589 N 0.00 0.00 0.00 2.19 -0.26 -0.17 -3.04 115.58 114.31 3ho8 h ASN 589 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ho8 h ASN 589 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3ho8 h ASN 589 CO 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 177.43 176.36 3ho8 n ILE 590 N -2.99 0.91 -0.19 2.81 0.13 -0.82 -4.74 119.36 114.47 3ho8 n ILE 590 Ca -0.02 -0.94 -0.07 0.00 -1.10 0.00 0.00 62.75 60.62 3ho8 n ILE 590 Cb 0.14 0.52 0.02 0.00 -0.84 0.00 0.00 39.64 39.48 3ho8 n ILE 590 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ho8 h ALA 591 N 0.00 0.69 -0.94 1.51 0.00 -1.37 -1.57 119.26 117.58 3ho8 h ALA 591 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3ho8 h ALA 591 Cb 0.61 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 3ho8 h ALA 591 CO 0.00 0.20 0.55 0.66 0.00 0.00 0.00 179.25 180.66 3ho8 h SER 592 N 0.72 0.72 0.06 0.00 4.64 -1.82 -2.37 113.55 115.51 3ho8 h SER 592 Ca 0.19 0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.39 3ho8 h SER 592 Cb 0.03 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3ho8 h SER 592 CO -0.03 0.32 -0.81 0.50 -0.87 0.00 0.00 176.83 175.94 3ho8 h LYS 593 N 0.77 0.44 -0.87 4.77 1.63 -1.64 -3.23 116.57 118.44 3ho8 h LYS 593 Ca 0.51 -0.55 0.09 0.00 -0.85 0.00 0.00 60.65 59.84 3ho8 h LYS 593 Cb 0.68 0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 32.42 3ho8 h LYS 593 CO -0.34 1.21 0.57 1.15 -3.45 0.00 0.00 179.45 178.58 3ho8 h THR 594 N -0.07 0.98 -0.70 1.00 2.02 -1.18 0.43 112.91 115.40 3ho8 h THR 594 Ca -0.12 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 3ho8 h THR 594 Cb 1.54 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3ho8 h THR 594 CO 0.16 0.16 0.14 0.00 0.37 0.00 0.00 175.52 176.35 3ho8 h ALA 595 N 1.56 0.93 0.07 6.16 0.00 -1.45 0.74 119.26 127.27 3ho8 h ALA 595 Ca 0.40 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 3ho8 h ALA 595 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ho8 h ALA 595 CO -0.16 0.67 -1.09 0.22 0.00 0.00 0.00 179.25 178.89 3ho8 h ASP 596 N 1.07 0.42 -0.13 0.00 3.58 -1.48 -2.93 116.42 116.95 3ho8 h ASP 596 Ca 0.22 -0.40 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 3ho8 h ASP 596 Cb 0.41 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 3ho8 h ASP 596 CO 0.01 1.26 -0.10 0.58 -2.88 0.00 0.00 179.24 178.10 3ho8 h VAL 597 N 0.12 1.34 -0.92 2.25 2.07 -0.65 -3.11 116.25 117.35 3ho8 h VAL 597 Ca -0.10 -1.22 -0.61 0.00 0.82 0.00 0.00 66.70 65.58 3ho8 h VAL 597 Cb 1.78 1.87 -0.26 0.00 -1.52 0.00 0.00 31.29 33.16 3ho8 h VAL 597 CO 0.18 0.35 0.79 0.49 0.02 0.00 0.00 177.57 179.41 3ho8 n PHE 598 N -4.63 2.90 0.26 1.57 3.01 0.23 -4.29 117.46 116.52 3ho8 n PHE 598 Ca -0.06 -2.81 0.11 0.00 1.01 0.00 0.00 57.45 55.69 3ho8 n PHE 598 Cb 0.33 -1.36 0.73 0.00 -0.01 0.00 0.00 39.48 39.16 3ho8 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3ho8 h LYS 599 N 1.93 0.00 -0.16 -1.08 2.10 -1.44 -1.74 116.57 116.17 3ho8 h LYS 599 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3ho8 h LYS 599 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 3ho8 h LYS 599 CO 1.43 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 178.71 3ho8 n ASP 600 N -4.00 2.68 -4.73 7.07 8.00 -1.26 -4.54 116.55 119.76 3ho8 n ASP 600 Ca -0.03 -2.32 -0.31 0.00 0.71 0.00 0.00 54.79 52.84 3ho8 n ASP 600 Cb 0.17 -0.23 0.12 0.00 -0.02 0.00 0.00 41.12 41.15 3ho8 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ho8 s GLY 601 N -1.42 1.66 -0.13 0.44 0.00 -0.66 -4.83 107.32 102.38 3ho8 s GLY 601 Ca 0.20 0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 3ho8 s GLY 601 CO 0.07 0.62 0.40 -2.75 0.00 0.00 0.00 173.10 171.45 3ho8 h PHE 602 N -1.38 0.00 -4.01 1.90 3.57 -1.53 -3.43 116.94 112.07 3ho8 h PHE 602 Ca -0.45 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.92 3ho8 h PHE 602 Cb 1.25 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.86 3ho8 h PHE 602 CO 0.52 0.64 -0.39 -1.54 -2.23 0.00 0.00 178.31 175.32 3ho8 s SER 603 N -6.02 0.09 -0.14 0.41 1.04 -1.24 -4.01 113.70 103.82 3ho8 s SER 603 Ca -0.13 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 3ho8 s SER 603 Cb -0.01 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3ho8 s SER 603 CO 0.42 -0.87 -0.12 -0.76 0.98 0.00 0.00 173.24 172.89 3ho8 s LEU 604 N -2.99 2.77 -0.48 2.42 1.43 0.28 -2.48 118.68 119.64 3ho8 s LEU 604 Ca 0.20 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 3ho8 s LEU 604 Cb 0.04 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.66 3ho8 s LEU 604 CO 0.01 0.15 0.78 -0.70 0.23 0.00 0.00 176.35 176.82 3ho8 s GLU 605 N 0.44 3.34 -0.00 1.70 -6.30 0.24 0.21 118.70 118.34 3ho8 s GLU 605 Ca -0.09 -0.27 0.18 0.00 -2.50 0.00 0.00 54.97 52.29 3ho8 s GLU 605 Cb -0.16 -3.98 0.30 0.00 0.00 0.00 0.00 34.13 30.29 3ho8 s GLU 605 CO 0.05 -1.19 1.12 0.00 0.02 0.00 0.00 175.26 175.25 3ho8 n MET 606 N 6.74 0.00 -3.88 4.30 0.00 -0.90 -2.31 117.12 121.07 3ho8 n MET 606 Ca 0.01 -1.69 -0.01 0.00 0.00 0.00 0.00 57.70 56.01 3ho8 n MET 606 Cb 0.48 0.15 0.01 0.00 0.00 0.00 0.00 33.22 33.86 3ho8 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3ho8 s TRP 607 N -0.00 0.03 0.05 3.17 -0.00 -1.24 -4.83 118.94 116.12 3ho8 s TRP 607 Ca 0.23 -0.31 0.00 0.00 -0.00 0.00 0.00 56.10 56.02 3ho8 s TRP 607 Cb 0.27 0.64 0.00 0.00 -0.00 0.00 0.00 33.47 34.38 3ho8 s TRP 607 CO -0.12 -0.66 0.00 0.41 -0.00 0.00 0.00 176.95 176.59 3ho8 n GLY 608 N -0.73 -1.86 7.00 5.86 0.00 -1.26 -2.97 105.19 111.22 3ho8 n GLY 608 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3ho8 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ho8 n GLY 609 N -0.87 2.72 0.01 -0.02 0.00 -1.11 -2.93 105.19 103.00 3ho8 n GLY 609 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3ho8 n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ho8 n ALA 610 N 10.21 3.09 -0.24 4.61 0.00 -1.26 -4.43 120.51 132.49 3ho8 n ALA 610 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.17 3ho8 n ALA 610 Cb 0.00 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.41 3ho8 n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ho8 h THR 611 N 0.07 1.21 0.60 0.00 1.35 -1.88 -0.81 112.91 113.45 3ho8 h THR 611 Ca 0.00 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 3ho8 h THR 611 Cb 0.49 0.11 0.01 0.00 -1.73 0.00 0.00 68.15 67.03 3ho8 h THR 611 CO 0.00 0.22 -0.29 0.15 -0.25 0.00 0.00 175.52 175.35 3ho8 h PHE 612 N 1.06 -0.74 0.37 4.73 3.57 -1.79 -0.45 116.94 123.68 3ho8 h PHE 612 Ca 0.28 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3ho8 h PHE 612 Cb -0.06 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3ho8 h PHE 612 CO 0.00 -0.41 -0.46 0.22 -2.23 0.00 0.00 178.31 175.44 3ho8 h ASP 613 N -1.00 -1.27 -0.90 0.41 -0.00 -1.83 -3.07 116.42 108.77 3ho8 h ASP 613 Ca -0.08 0.11 0.02 0.00 -0.00 0.00 0.00 57.03 57.08 3ho8 h ASP 613 Cb 0.67 0.44 -0.05 0.00 -0.00 0.00 0.00 39.33 40.39 3ho8 h ASP 613 CO 0.13 -0.59 0.59 0.58 -0.00 0.00 0.00 179.24 179.96 3ho8 h VAL 614 N -0.86 1.21 0.24 2.25 2.07 -1.06 -0.83 116.25 119.28 3ho8 h VAL 614 Ca -0.03 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ho8 h VAL 614 Cb 0.78 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3ho8 h VAL 614 CO -0.11 0.22 -0.16 0.00 0.02 0.00 0.00 177.57 177.53 3ho8 h ALA 615 N 1.34 -0.38 -0.86 1.67 0.00 -1.13 0.40 119.26 120.30 3ho8 h ALA 615 Ca 0.34 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3ho8 h ALA 615 Cb -0.11 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3ho8 h ALA 615 CO -0.08 -0.73 0.53 1.88 0.00 0.00 0.00 179.25 180.85 3ho8 h TYR 616 N -0.40 0.98 0.00 0.00 0.99 -1.17 0.50 116.97 117.88 3ho8 h TYR 616 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3ho8 h TYR 616 Cb 0.33 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.75 3ho8 h TYR 616 CO -0.10 0.50 0.00 -1.71 -0.00 0.00 0.00 178.16 176.85 3ho8 n ASN 617 N -4.62 0.00 0.07 3.88 4.05 -0.34 -3.29 115.26 115.00 3ho8 n ASN 617 Ca 0.12 0.21 -0.11 0.00 0.45 0.00 0.00 54.58 55.25 3ho8 n ASN 617 Cb 0.18 -0.43 -0.01 0.00 1.23 0.00 0.00 39.78 40.75 3ho8 n ASN 617 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3ho8 h PHE 618 N 0.00 0.50 0.00 1.20 0.05 -0.44 -3.26 116.94 114.99 3ho8 h PHE 618 Ca 0.00 -0.26 0.00 0.00 3.82 0.00 0.00 57.97 61.53 3ho8 h PHE 618 Cb 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 37.89 3ho8 h PHE 618 CO 0.00 1.06 -1.04 1.28 -0.18 0.00 0.00 178.31 179.43 3ho8 n LEU 619 N -3.75 0.61 -4.03 1.54 4.77 -0.49 -4.98 117.00 110.68 3ho8 n LEU 619 Ca -0.05 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 3ho8 n LEU 619 Cb 0.79 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3ho8 n LEU 619 CO 0.49 0.02 -0.01 0.29 -1.33 0.00 0.00 177.39 176.85 3ho8 n LYS 620 N -2.04 -4.22 -4.29 3.23 4.76 0.14 -4.80 118.16 110.95 3ho8 n LYS 620 Ca 0.02 0.48 -0.22 0.00 -2.87 0.00 0.00 58.31 55.72 3ho8 n LYS 620 Cb 0.45 -5.17 -0.13 0.00 -1.84 0.00 0.00 35.03 28.35 3ho8 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3ho8 s GLU 621 N -6.69 1.04 -0.22 1.97 -1.05 0.59 -4.58 118.70 109.76 3ho8 s GLU 621 Ca 0.54 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 3ho8 s GLU 621 Cb -0.28 -1.19 0.01 0.00 -0.44 0.00 0.00 34.13 32.22 3ho8 s GLU 621 CO 0.88 0.28 1.04 1.21 0.95 0.00 0.00 175.26 179.61 3ho8 s ASN 622 N -1.73 7.11 0.20 0.83 3.04 -1.26 -2.39 114.94 120.74 3ho8 s ASN 622 Ca 0.04 1.39 -0.10 0.00 0.04 0.00 0.00 52.86 54.23 3ho8 s ASN 622 Cb -0.10 -2.54 0.13 0.00 -1.54 0.00 0.00 41.25 37.20 3ho8 s ASN 622 CO 0.03 -0.66 1.79 -0.65 -3.04 0.00 0.00 177.10 174.57 3ho8 h PRO 623 N 7.43 1.04 -0.84 0.43 0.11 -1.91 -2.20 132.00 136.06 3ho8 h PRO 623 Ca -0.20 -0.15 0.21 0.00 0.11 0.00 0.00 66.00 65.97 3ho8 h PRO 623 Cb 1.07 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 3ho8 h PRO 623 CO 0.97 0.81 0.57 -1.49 -0.21 0.00 0.00 178.00 178.66 3ho8 h TRP 624 N 1.01 0.31 0.47 0.65 4.06 -1.97 0.90 115.95 121.38 3ho8 h TRP 624 Ca 0.25 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.18 3ho8 h TRP 624 Cb 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3ho8 h TRP 624 CO 0.01 0.09 -0.22 0.93 -3.56 0.00 0.00 178.44 175.68 3ho8 h GLU 625 N 0.24 -0.61 -0.69 0.49 5.08 -1.80 -0.08 114.58 117.21 3ho8 h GLU 625 Ca 0.42 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.97 3ho8 h GLU 625 Cb 1.28 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.54 3ho8 h GLU 625 CO -0.10 -0.30 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.41 3ho8 h ARG 626 N -0.92 0.03 0.14 2.33 2.43 -0.96 0.35 114.38 117.78 3ho8 h ARG 626 Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3ho8 h ARG 626 Cb 0.58 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3ho8 h ARG 626 CO 0.11 0.02 -0.27 1.25 -1.51 0.00 0.00 179.97 179.57 3ho8 h LEU 627 N 0.04 -0.79 -0.56 3.80 5.85 -0.94 -1.01 115.31 121.70 3ho8 h LEU 627 Ca 0.35 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.23 3ho8 h LEU 627 Cb 0.56 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 3ho8 h LEU 627 CO -0.67 -0.31 0.18 -0.33 -0.34 0.00 0.00 178.44 176.97 3ho8 h GLU 628 N -0.44 0.34 0.24 1.25 5.08 0.11 0.14 114.58 121.30 3ho8 h GLU 628 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ho8 h GLU 628 Cb 0.42 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ho8 h GLU 628 CO -0.11 0.22 -0.12 0.00 -1.00 0.00 0.00 179.01 178.01 3ho8 h ARG 629 N 0.35 -0.32 -0.79 2.33 2.47 -0.45 -2.58 114.38 115.40 3ho8 h ARG 629 Ca 0.28 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 59.17 3ho8 h ARG 629 Cb 0.35 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 3ho8 h ARG 629 CO -0.31 -0.04 0.52 -0.07 0.56 0.00 0.00 179.97 180.64 3ho8 h LEU 630 N -0.59 0.48 -0.56 3.04 3.38 -0.82 -1.33 115.31 118.91 3ho8 h LEU 630 Ca -0.03 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3ho8 h LEU 630 Cb 0.43 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 3ho8 h LEU 630 CO 0.06 0.25 0.06 -0.09 0.09 0.00 0.00 178.44 178.80 3ho8 h ARG 631 N 0.51 0.17 0.05 1.13 1.12 -0.58 -1.59 114.38 115.19 3ho8 h ARG 631 Ca 0.39 -0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 59.02 3ho8 h ARG 631 Cb 0.77 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 3ho8 h ARG 631 CO -0.14 0.11 -1.04 0.87 -3.11 0.00 0.00 179.97 176.66 3ho8 h LYS 632 N 0.18 0.17 0.00 0.20 1.57 -1.02 -3.04 116.57 114.63 3ho8 h LYS 632 Ca 0.29 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3ho8 h LYS 632 Cb 0.44 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3ho8 h LYS 632 CO -0.43 1.06 -0.30 0.00 -0.57 0.00 0.00 179.45 179.21 3ho8 h ALA 633 N 0.84 1.21 -2.34 3.86 0.00 -1.35 -3.36 119.26 118.12 3ho8 h ALA 633 Ca -0.07 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.98 3ho8 h ALA 633 Cb 1.74 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 3ho8 h ALA 633 CO 0.16 0.37 -0.83 -0.89 0.00 0.00 0.00 179.25 178.06 3ho8 n ILE 634 N -3.76 0.51 0.51 0.00 5.41 -0.61 -4.60 119.36 116.82 3ho8 n ILE 634 Ca -0.01 -4.40 0.08 0.00 1.00 0.00 0.00 62.75 59.42 3ho8 n ILE 634 Cb 0.40 -1.98 0.21 0.00 -0.71 0.00 0.00 39.64 37.56 3ho8 n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ho8 n PRO 635 N 1.65 2.09 -0.03 0.38 -0.05 -1.23 -3.83 135.00 133.98 3ho8 n PRO 635 Ca 0.25 -1.69 0.02 0.00 -0.05 0.00 0.00 63.50 62.04 3ho8 n PRO 635 Cb 0.45 -1.36 -0.12 0.00 -0.05 0.00 0.00 33.50 32.41 3ho8 n PRO 635 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 3ho8 n ASN 636 N 0.87 1.27 -4.44 3.54 6.94 -1.26 -4.66 115.26 117.52 3ho8 n ASN 636 Ca 0.16 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.39 3ho8 n ASN 636 Cb 0.40 1.40 -0.13 0.00 -2.36 0.00 0.00 39.78 39.08 3ho8 n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ho8 s VAL 637 N -2.83 3.22 0.20 3.53 1.01 -1.25 -1.10 120.40 123.18 3ho8 s VAL 637 Ca -0.07 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 3ho8 s VAL 637 Cb 0.08 -2.33 -0.16 0.00 0.00 0.00 0.00 36.38 33.97 3ho8 s VAL 637 CO 0.66 0.55 0.95 0.18 0.00 0.00 0.00 175.10 177.44 3ho8 n LEU 638 N 3.06 0.79 -4.73 3.92 4.77 -1.26 -4.59 117.00 118.96 3ho8 n LEU 638 Ca -0.18 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 3ho8 n LEU 638 Cb 0.53 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.40 3ho8 n LEU 638 CO 0.29 -1.80 -0.30 -0.36 -1.33 0.00 0.00 177.39 173.90 3ho8 s PHE 639 N -0.62 3.12 -0.08 -1.77 0.40 -1.26 -0.55 117.98 117.22 3ho8 s PHE 639 Ca 0.68 0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 57.01 3ho8 s PHE 639 Cb -0.86 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.07 3ho8 s PHE 639 CO 0.56 0.50 0.20 -1.14 0.70 0.00 0.00 175.22 176.03 3ho8 s GLN 640 N -2.16 0.22 0.33 0.44 0.74 0.13 -0.44 119.66 118.92 3ho8 s GLN 640 Ca 0.26 0.30 0.09 0.00 0.05 0.00 0.00 55.36 56.05 3ho8 s GLN 640 Cb -0.12 0.07 -0.06 0.00 1.10 0.00 0.00 33.01 34.00 3ho8 s GLN 640 CO 0.18 -0.05 -0.08 0.00 -0.55 0.00 0.00 175.29 174.79 3ho8 s MET 641 N 0.27 1.74 -0.30 1.67 0.23 -1.21 -2.13 119.30 119.59 3ho8 s MET 641 Ca -0.01 -1.90 -0.15 0.00 -1.03 0.00 0.00 55.69 52.59 3ho8 s MET 641 Cb -0.03 -1.54 -0.03 0.00 -1.53 0.00 0.00 34.83 31.71 3ho8 s MET 641 CO -0.01 0.10 0.39 -1.17 -2.03 0.00 0.00 175.02 172.31 3ho8 s LEU 642 N -3.56 4.16 -0.25 0.18 2.96 -1.16 -2.03 118.68 118.99 3ho8 s LEU 642 Ca 0.32 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3ho8 s LEU 642 Cb 0.03 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.31 3ho8 s LEU 642 CO 0.15 -0.26 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.65 3ho8 s LEU 643 N 2.10 3.20 0.00 -0.68 2.96 0.95 -2.73 118.68 124.49 3ho8 s LEU 643 Ca 0.15 -0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 52.93 3ho8 s LEU 643 Cb -0.16 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3ho8 s LEU 643 CO 0.11 -0.12 1.23 -0.60 -1.32 0.00 0.00 176.35 175.64 3ho8 s ARG 644 N 1.35 4.37 0.14 1.98 3.52 0.13 -1.89 118.95 128.56 3ho8 s ARG 644 Ca 0.01 1.76 -0.31 0.00 -0.13 0.00 0.00 55.73 57.06 3ho8 s ARG 644 Cb -0.16 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 3ho8 s ARG 644 CO -0.04 -0.39 1.55 0.00 -0.81 0.00 0.00 175.30 175.62 3ho8 h ALA 645 N 7.24 -0.64 0.46 6.12 0.00 0.89 0.49 119.26 133.82 3ho8 h ALA 645 Ca -0.38 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ho8 h ALA 645 Cb 1.19 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 3ho8 h ALA 645 CO 0.85 -0.99 -0.31 0.66 0.00 0.00 0.00 179.25 179.47 3ho8 h SER 646 N -0.33 -0.80 0.00 0.00 4.64 -1.81 -3.36 113.55 111.89 3ho8 h SER 646 Ca 0.11 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ho8 h SER 646 Cb 0.58 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3ho8 h SER 646 CO -0.64 -0.48 -0.24 -0.46 -0.87 0.00 0.00 176.83 174.14 3ho8 n ASN 647 N -5.44 1.31 0.00 4.97 2.04 -1.14 -4.67 115.26 112.32 3ho8 n ASN 647 Ca -0.11 -2.62 0.00 0.00 -0.44 0.00 0.00 54.58 51.41 3ho8 n ASN 647 Cb 0.34 -0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 3ho8 n ASN 647 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3ho8 n ALA 648 N -0.79 0.00 -0.87 -2.53 0.00 0.17 -0.26 120.51 116.23 3ho8 n ALA 648 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ho8 n ALA 648 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3ho8 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ho8 n VAL 649 N 0.00 0.00 0.00 0.00 3.14 -1.26 0.18 118.33 120.39 3ho8 n VAL 649 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3ho8 n VAL 649 Cb 0.00 1.60 0.00 0.00 -1.06 0.00 0.00 33.84 34.38 3ho8 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ho8 n GLY 650 N 0.00 -1.17 0.00 7.55 0.00 0.64 -4.76 105.19 107.45 3ho8 n GLY 650 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3ho8 n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ho8 n TYR 651 N -0.20 0.00 -2.55 1.61 0.18 -1.26 -4.99 117.16 109.95 3ho8 n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3ho8 n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3ho8 n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3ho8 n LYS 652 N -0.49 3.86 -3.81 -3.48 2.85 -1.26 -5.15 118.16 110.69 3ho8 n LYS 652 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3ho8 n LYS 652 Cb 0.01 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.35 3ho8 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3ho8 s ASN 653 N 0.63 6.43 0.03 -5.58 0.01 -1.26 -4.74 114.94 110.46 3ho8 s ASN 653 Ca 0.00 0.43 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3ho8 s ASN 653 Cb 0.00 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 3ho8 s ASN 653 CO 0.00 0.15 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.36 3ho8 s TYR 654 N -1.51 0.60 0.63 2.20 1.51 -1.26 -5.10 117.35 114.41 3ho8 s TYR 654 Ca 0.35 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 3ho8 s TYR 654 Cb -0.13 -0.37 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 3ho8 s TYR 654 CO 0.24 -0.08 1.25 -1.25 -1.11 0.00 0.00 175.55 174.60 3ho8 s PRO 655 N -1.39 2.70 0.16 -1.71 0.04 -1.26 -4.56 135.00 128.97 3ho8 s PRO 655 Ca -0.09 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 3ho8 s PRO 655 Cb -0.09 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 3ho8 s PRO 655 CO 0.00 -1.44 1.54 -0.44 0.04 0.00 0.00 177.00 176.70 3ho8 h ASP 656 N 0.62 -2.00 0.00 6.66 3.32 -1.89 -0.80 116.42 122.33 3ho8 h ASP 656 Ca -0.50 0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3ho8 h ASP 656 Cb 1.32 0.87 0.00 0.00 0.22 0.00 0.00 39.33 41.74 3ho8 h ASP 656 CO 0.54 -0.29 0.09 -0.46 -1.72 0.00 0.00 179.24 177.40 3ho8 n ASN 657 N -5.31 0.00 0.04 6.45 2.04 -1.26 0.18 115.26 117.40 3ho8 n ASN 657 Ca 0.01 0.23 -0.05 0.00 -0.44 0.00 0.00 54.58 54.33 3ho8 n ASN 657 Cb 0.30 -0.23 -0.10 0.00 -2.53 0.00 0.00 39.78 37.21 3ho8 n ASN 657 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3ho8 h VAL 658 N 0.00 1.05 -0.07 3.53 2.07 -1.50 -2.76 116.25 118.57 3ho8 h VAL 658 Ca 0.00 -2.73 -0.15 0.00 0.82 0.00 0.00 66.70 64.64 3ho8 h VAL 658 Cb 0.18 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3ho8 h VAL 658 CO 0.00 0.60 -0.53 0.40 0.02 0.00 0.00 177.57 178.06 3ho8 h ILE 659 N 0.00 1.38 0.23 4.57 2.04 0.19 -2.31 117.51 123.62 3ho8 h ILE 659 Ca -0.14 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 3ho8 h ILE 659 Cb 1.77 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 40.16 3ho8 h ILE 659 CO 0.09 0.56 -0.21 0.45 0.00 0.00 0.00 178.15 179.04 3ho8 h HIS 660 N 0.05 -0.58 -0.80 1.37 3.86 -1.49 -1.78 115.15 115.77 3ho8 h HIS 660 Ca -0.05 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3ho8 h HIS 660 Cb 1.19 0.22 -0.11 0.00 1.06 0.00 0.00 27.41 29.78 3ho8 h HIS 660 CO 0.12 -0.29 -0.40 1.17 0.86 0.00 0.00 177.93 179.39 3ho8 n LYS 661 N -3.61 -0.28 0.30 2.45 3.00 -1.04 -0.62 118.16 118.35 3ho8 n LYS 661 Ca -0.05 1.21 -0.17 0.00 -0.00 0.00 0.00 58.31 59.30 3ho8 n LYS 661 Cb 0.20 -1.79 -0.09 0.00 0.00 0.00 0.00 35.03 33.35 3ho8 n LYS 661 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 3ho8 h PHE 662 N 0.00 -1.08 -0.38 5.64 3.57 -1.28 -1.18 116.94 122.23 3ho8 h PHE 662 Ca 0.19 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.76 3ho8 h PHE 662 Cb 0.39 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 3ho8 h PHE 662 CO -0.77 -0.58 -0.09 0.28 -2.23 0.00 0.00 178.31 174.92 3ho8 h VAL 663 N -0.90 0.62 -0.45 1.41 2.07 -0.75 -1.02 116.25 117.22 3ho8 h VAL 663 Ca -0.06 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 3ho8 h VAL 663 Cb 0.76 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 3ho8 h VAL 663 CO 0.01 0.00 -0.15 -0.61 0.02 0.00 0.00 177.57 176.84 3ho8 h GLN 664 N 0.00 -0.04 -0.41 1.57 5.75 -0.47 -1.41 115.11 120.11 3ho8 h GLN 664 Ca 0.18 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3ho8 h GLN 664 Cb 0.28 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3ho8 h GLN 664 CO -0.39 -0.03 0.21 0.93 -2.65 0.00 0.00 178.83 176.90 3ho8 h GLU 665 N -0.04 0.58 -0.44 1.69 4.39 -0.68 -0.45 114.58 119.62 3ho8 h GLU 665 Ca 0.22 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.90 3ho8 h GLU 665 Cb 0.38 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 3ho8 h GLU 665 CO -0.49 0.48 0.14 0.77 -1.16 0.00 0.00 179.01 178.75 3ho8 h SER 666 N 0.52 0.13 0.57 1.42 0.02 -0.34 -0.59 113.55 115.29 3ho8 h SER 666 Ca 0.14 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 3ho8 h SER 666 Cb 0.08 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3ho8 h SER 666 CO -0.02 0.11 -0.81 0.00 -1.14 0.00 0.00 176.83 174.97 3ho8 h ALA 667 N 1.30 0.62 0.00 3.77 0.00 -1.15 -1.72 119.26 122.08 3ho8 h ALA 667 Ca 0.21 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3ho8 h ALA 667 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ho8 h ALA 667 CO -0.23 0.89 -0.21 -0.22 0.00 0.00 0.00 179.25 179.48 3ho8 h LYS 668 N 0.10 0.00 -0.21 0.00 3.64 -0.54 -3.28 116.57 116.29 3ho8 h LYS 668 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ho8 h LYS 668 Cb 1.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3ho8 h LYS 668 CO 0.12 0.21 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 3ho8 n ALA 669 N -2.35 2.32 0.00 5.00 0.00 -0.28 -5.00 120.51 120.21 3ho8 n ALA 669 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3ho8 n ALA 669 Cb 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3ho8 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ho8 n GLY 670 N 0.62 4.40 3.62 0.00 0.00 -1.05 -4.42 105.19 108.36 3ho8 n GLY 670 Ca 0.10 -0.70 -0.49 0.00 0.00 0.00 0.00 46.02 44.93 3ho8 n GLY 670 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ho8 n ILE 671 N 0.00 0.36 -0.05 -0.61 2.08 -0.67 -4.50 119.36 115.96 3ho8 n ILE 671 Ca 0.00 -0.09 -0.08 0.00 0.56 0.00 0.00 62.75 63.14 3ho8 n ILE 671 Cb 0.00 -1.10 -0.04 0.00 -0.75 0.00 0.00 39.64 37.75 3ho8 n ILE 671 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3ho8 n ASP 672 N 2.56 2.47 -4.69 4.38 10.43 0.09 -4.12 116.55 127.68 3ho8 n ASP 672 Ca 0.16 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.20 3ho8 n ASP 672 Cb 0.25 -0.20 -0.09 0.00 1.84 0.00 0.00 41.12 42.91 3ho8 n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3ho8 s VAL 673 N -2.20 4.22 -0.30 2.53 1.01 0.42 -0.71 120.40 125.37 3ho8 s VAL 673 Ca -0.14 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3ho8 s VAL 673 Cb 0.04 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.63 3ho8 s VAL 673 CO 0.22 0.39 0.04 -0.36 0.00 0.00 0.00 175.10 175.38 3ho8 s PHE 674 N -1.09 2.72 -0.39 5.22 0.08 0.14 -3.28 117.98 121.38 3ho8 s PHE 674 Ca 0.19 -2.26 -0.29 0.00 0.12 0.00 0.00 56.93 54.69 3ho8 s PHE 674 Cb -0.12 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3ho8 s PHE 674 CO 0.10 -0.88 1.43 0.50 -0.10 0.00 0.00 175.22 176.27 3ho8 s ARG 675 N 1.27 3.59 -0.30 0.44 3.52 -0.86 -1.32 118.95 125.30 3ho8 s ARG 675 Ca 0.06 1.01 -0.07 0.00 -0.13 0.00 0.00 55.73 56.60 3ho8 s ARG 675 Cb -0.18 -4.02 0.01 0.00 -1.56 0.00 0.00 34.95 29.19 3ho8 s ARG 675 CO -0.14 -1.54 0.09 0.42 -0.81 0.00 0.00 175.30 173.32 3ho8 s ILE 676 N 5.44 4.07 0.15 4.11 1.01 0.65 -0.03 121.20 136.59 3ho8 s ILE 676 Ca 0.62 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.73 3ho8 s ILE 676 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3ho8 s ILE 676 CO 0.32 0.08 -0.23 0.72 0.00 0.00 0.00 174.94 175.83 3ho8 s PHE 677 N 1.52 2.09 -0.11 3.97 -0.71 -0.79 -2.32 117.98 121.62 3ho8 s PHE 677 Ca 0.03 -0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 55.50 3ho8 s PHE 677 Cb -0.17 -1.09 -0.03 0.00 -1.21 0.00 0.00 43.02 40.52 3ho8 s PHE 677 CO 0.03 0.35 -0.06 0.34 -1.34 0.00 0.00 175.22 174.54 3ho8 s ASP 678 N -2.30 4.70 0.58 1.98 -1.08 -1.26 0.14 116.67 119.42 3ho8 s ASP 678 Ca 0.14 -0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.37 3ho8 s ASP 678 Cb -0.09 -1.51 1.50 0.00 -1.46 0.00 0.00 42.92 41.37 3ho8 s ASP 678 CO 0.07 0.26 1.95 0.77 0.52 0.00 0.00 175.17 178.74 3ho8 h SER 679 N 6.03 0.00 0.00 -0.34 4.64 -1.90 -2.39 113.55 119.59 3ho8 h SER 679 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3ho8 h SER 679 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3ho8 h SER 679 CO 0.58 0.00 -0.22 0.18 -0.87 0.00 0.00 176.83 176.49 3ho8 n LEU 680 N -3.85 2.25 -3.26 5.97 4.77 -1.26 -4.19 117.00 117.42 3ho8 n LEU 680 Ca 0.08 -3.15 -0.21 0.00 -0.03 0.00 0.00 56.01 52.69 3ho8 n LEU 680 Cb 0.60 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3ho8 n LEU 680 CO 0.29 0.88 -0.05 0.59 -1.33 0.00 0.00 177.39 177.77 3ho8 n ASN 681 N -1.17 -3.52 -4.39 -1.43 3.02 -0.90 -4.43 115.26 102.44 3ho8 n ASN 681 Ca 0.15 -0.31 -0.45 0.00 -0.03 0.00 0.00 54.58 53.95 3ho8 n ASN 681 Cb 0.68 -2.93 -0.04 0.00 -0.61 0.00 0.00 39.78 36.88 3ho8 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3ho8 s TRP 682 N -2.86 3.04 0.27 3.10 -0.00 -1.26 -4.94 118.94 116.29 3ho8 s TRP 682 Ca 0.35 -1.06 0.01 0.00 -0.00 0.00 0.00 56.10 55.40 3ho8 s TRP 682 Cb -0.19 -4.07 0.60 0.00 -0.00 0.00 0.00 33.47 29.81 3ho8 s TRP 682 CO 0.43 -1.34 1.75 0.28 -0.00 0.00 0.00 176.95 178.07 3ho8 h VAL 683 N 5.82 0.68 0.00 5.86 2.07 -1.95 -0.15 116.25 128.59 3ho8 h VAL 683 Ca -0.20 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3ho8 h VAL 683 Cb 1.07 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3ho8 h VAL 683 CO 1.08 0.11 0.00 0.44 0.02 0.00 0.00 177.57 179.23 3ho8 h ASP 684 N 0.61 0.00 0.62 0.57 3.32 -2.01 -1.66 116.42 117.87 3ho8 h ASP 684 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3ho8 h ASP 684 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3ho8 h ASP 684 CO -0.39 0.00 -0.36 1.67 -1.72 0.00 0.00 179.24 178.44 3ho8 n GLN 685 N -2.76 0.03 -0.13 3.56 7.27 -0.07 -3.86 117.38 121.42 3ho8 n GLN 685 Ca -0.02 -0.01 0.06 0.00 0.07 0.00 0.00 57.00 57.09 3ho8 n GLN 685 Cb 0.08 -1.50 0.13 0.00 2.41 0.00 0.00 30.24 31.35 3ho8 n GLN 685 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ho8 n MET 686 N -1.47 2.16 0.00 3.69 0.00 -0.63 -4.29 117.12 116.58 3ho8 n MET 686 Ca 0.06 -1.80 -0.12 0.00 0.00 0.00 0.00 57.70 55.83 3ho8 n MET 686 Cb 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.29 3ho8 n MET 686 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3ho8 h LYS 687 N 2.21 0.61 0.62 3.17 1.57 -1.67 -2.37 116.57 120.71 3ho8 h LYS 687 Ca 0.00 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 3ho8 h LYS 687 Cb 0.67 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3ho8 h LYS 687 CO 0.00 1.07 -0.30 0.28 -0.57 0.00 0.00 179.45 179.93 3ho8 h VAL 688 N 0.44 0.36 -0.91 0.50 2.07 -1.84 -0.36 116.25 116.52 3ho8 h VAL 688 Ca -0.02 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.52 3ho8 h VAL 688 Cb 1.24 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 3ho8 h VAL 688 CO 0.13 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.24 3ho8 h ALA 689 N -0.58 1.39 -0.44 1.67 0.00 -1.84 -1.49 119.26 117.97 3ho8 h ALA 689 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ho8 h ALA 689 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ho8 h ALA 689 CO 0.14 -0.01 0.25 -0.97 0.00 0.00 0.00 179.25 178.66 3ho8 h ASN 690 N 0.74 0.39 -0.15 0.00 -1.24 -1.19 -0.43 115.58 113.69 3ho8 h ASN 690 Ca 0.49 0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.40 3ho8 h ASN 690 Cb 0.64 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 3ho8 h ASN 690 CO -0.34 0.28 -0.24 -0.33 -1.29 0.00 0.00 177.43 175.52 3ho8 h GLU 691 N 0.50 0.60 0.18 6.67 5.08 -0.10 0.47 114.58 127.98 3ho8 h GLU 691 Ca 0.18 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3ho8 h GLU 691 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ho8 h GLU 691 CO -0.09 0.79 -0.09 0.00 -1.00 0.00 0.00 179.01 178.62 3ho8 h ALA 692 N 1.21 -0.24 -0.24 3.43 0.00 -1.02 0.94 119.26 123.34 3ho8 h ALA 692 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ho8 h ALA 692 Cb 0.69 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ho8 h ALA 692 CO 0.05 -0.50 0.12 0.28 0.00 0.00 0.00 179.25 179.19 3ho8 h VAL 693 N -0.50 0.99 -0.48 0.00 2.07 -0.99 -0.98 116.25 116.35 3ho8 h VAL 693 Ca -0.02 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3ho8 h VAL 693 Cb 0.38 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3ho8 h VAL 693 CO 0.04 0.05 0.19 1.56 0.02 0.00 0.00 177.57 179.42 3ho8 h GLN 694 N 0.25 0.36 0.32 1.57 1.08 -0.87 -2.51 115.11 115.31 3ho8 h GLN 694 Ca 0.10 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ho8 h GLN 694 Cb 0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3ho8 h GLN 694 CO -0.07 0.24 -0.35 1.49 -0.95 0.00 0.00 178.83 179.19 3ho8 h GLU 695 N 0.37 -0.68 0.00 1.46 4.81 -0.50 -2.59 114.58 117.45 3ho8 h GLU 695 Ca 0.23 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3ho8 h GLU 695 Cb 0.21 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ho8 h GLU 695 CO -0.22 -0.45 0.34 0.00 -0.73 0.00 0.00 179.01 177.96 3ho8 n ALA 696 N -2.66 0.31 -1.18 2.92 0.00 -0.40 -4.72 120.51 114.78 3ho8 n ALA 696 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 3ho8 n ALA 696 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 3ho8 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ho8 n GLY 697 N -1.15 0.80 0.00 0.00 0.00 -0.98 -4.98 105.19 98.87 3ho8 n GLY 697 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3ho8 n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ho8 n LYS 698 N -1.83 1.14 -3.60 1.61 4.76 -1.15 -4.49 118.16 114.59 3ho8 n LYS 698 Ca -0.06 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.99 3ho8 n LYS 698 Cb 0.33 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.41 3ho8 n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ho8 s ILE 699 N 0.78 5.14 -0.25 -0.18 1.01 0.11 -4.68 121.20 123.13 3ho8 s ILE 699 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 3ho8 s ILE 699 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3ho8 s ILE 699 CO 0.00 0.20 0.19 -0.55 0.00 0.00 0.00 174.94 174.77 3ho8 s SER 700 N 1.73 6.11 -0.25 3.58 0.15 -1.26 0.26 113.70 124.02 3ho8 s SER 700 Ca 0.07 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.85 3ho8 s SER 700 Cb -0.16 -2.12 0.05 0.00 -1.71 0.00 0.00 66.02 62.08 3ho8 s SER 700 CO 0.10 0.02 -0.11 -0.70 1.20 0.00 0.00 173.24 173.75 3ho8 s GLU 701 N 1.27 2.37 -0.18 5.44 2.12 -0.43 -0.49 118.70 128.79 3ho8 s GLU 701 Ca 0.08 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 53.86 3ho8 s GLU 701 Cb -0.14 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 3ho8 s GLU 701 CO 0.06 -0.52 1.02 0.20 -0.54 0.00 0.00 175.26 175.49 3ho8 s GLY 702 N 1.14 1.96 -0.06 -1.50 0.00 -0.57 -0.25 107.32 108.04 3ho8 s GLY 702 Ca -0.07 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 3ho8 s GLY 702 CO -0.06 2.07 0.04 -1.59 0.00 0.00 0.00 173.10 173.56 3ho8 s THR 703 N 2.72 4.55 -0.29 0.90 2.01 -0.98 0.37 115.64 124.92 3ho8 s THR 703 Ca 0.45 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.23 3ho8 s THR 703 Cb -0.16 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.45 3ho8 s THR 703 CO 0.11 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.90 3ho8 s ILE 704 N -1.00 2.16 0.12 1.82 1.01 -0.60 -4.71 121.20 119.99 3ho8 s ILE 704 Ca 0.16 -1.91 -0.31 0.00 0.00 0.00 0.00 60.65 58.59 3ho8 s ILE 704 Cb -0.12 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 3ho8 s ILE 704 CO 0.06 -0.29 1.40 0.00 0.00 0.00 0.00 174.94 176.11 3ho8 s TYR 706 N 1.12 3.45 0.21 0.00 5.04 -0.92 -4.96 117.35 121.29 3ho8 s TYR 706 Ca 0.65 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.91 3ho8 s TYR 706 Cb -0.37 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 3ho8 s TYR 706 CO 0.30 0.20 0.12 0.25 -1.34 0.00 0.00 175.55 175.09 3ho8 n THR 707 N 3.69 0.00 -4.36 4.34 -2.24 -1.26 -4.47 114.28 109.98 3ho8 n THR 707 Ca -0.11 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 3ho8 n THR 707 Cb 0.52 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3ho8 n THR 707 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ho8 n GLY 708 N 0.10 -0.35 3.15 3.38 0.00 -1.26 -4.82 105.19 105.38 3ho8 n GLY 708 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.00 3ho8 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ho8 s ASP 709 N -4.00 -1.52 0.00 1.61 3.68 -1.26 -4.89 116.67 110.29 3ho8 s ASP 709 Ca 0.00 0.37 0.09 0.00 2.13 0.00 0.00 52.55 55.14 3ho8 s ASP 709 Cb 0.00 2.04 0.41 0.00 -1.45 0.00 0.00 42.92 43.92 3ho8 s ASP 709 CO 0.00 -0.28 1.21 2.30 0.13 0.00 0.00 175.17 178.53 3ho8 n ILE 710 N 5.41 1.07 0.13 4.11 -5.35 -1.26 -1.42 119.36 122.06 3ho8 n ILE 710 Ca 0.03 0.27 -0.23 0.00 -0.27 0.00 0.00 62.75 62.55 3ho8 n ILE 710 Cb 0.53 -1.12 -0.16 0.00 -1.74 0.00 0.00 39.64 37.16 3ho8 n ILE 710 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3ho8 h LEU 711 N 0.00 0.75 -8.48 7.28 3.38 -1.96 -3.43 115.31 112.85 3ho8 h LEU 711 Ca 0.00 -0.84 -0.68 0.00 0.09 0.00 0.00 57.88 56.45 3ho8 h LEU 711 Cb 0.11 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 40.44 3ho8 h LEU 711 CO 0.00 1.67 0.03 0.21 0.09 0.00 0.00 178.44 180.44 3ho8 s ASN 712 N -7.48 6.25 0.00 -0.43 3.84 -0.51 -4.93 114.94 111.69 3ho8 s ASN 712 Ca -0.09 -0.68 0.30 0.00 0.21 0.00 0.00 52.86 52.61 3ho8 s ASN 712 Cb 0.05 -2.29 1.58 0.00 -0.55 0.00 0.00 41.25 40.04 3ho8 s ASN 712 CO 0.93 -0.80 2.07 -0.81 -2.79 0.00 0.00 177.10 175.69 3ho8 n PRO 713 N 6.11 0.73 0.00 0.43 -0.04 -1.26 -2.49 135.00 138.47 3ho8 n PRO 713 Ca -0.05 -0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 3ho8 n PRO 713 Cb 0.47 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.72 3ho8 n PRO 713 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ho8 n GLU 714 N -1.06 0.23 -0.04 0.54 1.02 -1.26 -4.22 120.64 115.85 3ho8 n GLU 714 Ca 0.18 -0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.02 3ho8 n GLU 714 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 3ho8 n GLU 714 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3ho8 h ARG 715 N 0.33 0.79 -1.26 3.49 9.65 -1.79 -3.46 114.38 122.13 3ho8 h ARG 715 Ca 0.00 -0.60 0.16 0.00 -1.10 0.00 0.00 59.98 58.45 3ho8 h ARG 715 Cb 0.50 0.11 -0.31 0.00 -1.39 0.00 0.00 29.97 28.88 3ho8 h ARG 715 CO 0.00 1.21 0.64 0.45 2.80 0.00 0.00 179.97 185.07 3ho8 s SER 716 N -7.00 -0.23 -0.41 -3.80 0.15 -1.26 -4.98 113.70 96.17 3ho8 s SER 716 Ca -0.11 0.39 0.05 0.00 0.70 0.00 0.00 55.95 56.98 3ho8 s SER 716 Cb 0.09 0.88 0.64 0.00 -1.71 0.00 0.00 66.02 65.92 3ho8 s SER 716 CO 0.89 -0.06 1.82 -0.46 1.20 0.00 0.00 173.24 176.63 3ho8 n ASN 717 N 2.87 3.56 0.00 5.45 2.04 -1.26 -4.38 115.26 123.54 3ho8 n ASN 717 Ca -0.16 -3.62 0.00 0.00 -0.44 0.00 0.00 54.58 50.36 3ho8 n ASN 717 Cb 0.57 -0.79 0.00 0.00 -2.53 0.00 0.00 39.78 37.02 3ho8 n ASN 717 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3ho8 n ILE 717 N -1.08 0.00 -1.60 1.53 -0.00 -1.26 -4.86 119.36 112.09 3ho8 n ILE 717 Ca 0.53 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.88 3ho8 n ILE 717 Cb 1.53 -1.43 -0.02 0.00 -0.00 0.00 0.00 39.64 39.72 3ho8 n ILE 717 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3ho8 n TYR 718 N -2.96 2.65 -3.02 1.39 4.02 -1.26 -4.47 117.16 113.50 3ho8 n TYR 718 Ca 0.00 -3.00 -0.19 0.00 -0.01 0.00 0.00 57.90 54.70 3ho8 n TYR 718 Cb 0.48 -2.31 0.01 0.00 -0.02 0.00 0.00 39.34 37.51 3ho8 n TYR 718 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3ho8 s THR 719 N 1.37 3.34 0.46 -0.72 2.01 -1.26 -4.56 115.64 116.28 3ho8 s THR 719 Ca 0.61 -0.83 0.12 0.00 0.31 0.00 0.00 61.69 61.89 3ho8 s THR 719 Cb 0.17 -3.18 0.27 0.00 0.01 0.00 0.00 72.50 69.78 3ho8 s THR 719 CO -0.07 -0.09 2.09 0.25 -0.69 0.00 0.00 174.62 176.11 3ho8 h LEU 720 N 0.52 0.25 -0.24 4.42 5.85 -1.90 -2.10 115.31 122.11 3ho8 h LEU 720 Ca -0.43 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.07 3ho8 h LEU 720 Cb 1.27 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3ho8 h LEU 720 CO 0.51 0.18 -0.89 -0.08 -0.34 0.00 0.00 178.44 177.81 3ho8 h GLU 721 N 0.30 0.33 -0.23 1.25 4.81 -1.94 -2.76 114.58 116.34 3ho8 h GLU 721 Ca 0.10 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3ho8 h GLU 721 Cb 0.02 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 3ho8 h GLU 721 CO -0.02 1.03 -0.27 -0.92 -0.73 0.00 0.00 179.01 178.11 3ho8 h TYR 722 N 0.19 -0.72 -0.33 0.92 3.20 -1.61 -1.62 116.97 117.00 3ho8 h TYR 722 Ca -0.06 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 3ho8 h TYR 722 Cb 1.52 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 40.13 3ho8 h TYR 722 CO 0.05 -0.34 -0.26 1.88 -1.64 0.00 0.00 178.16 177.85 3ho8 h TYR 723 N -0.29 0.74 0.40 -3.82 -1.99 -1.57 -1.56 116.97 108.88 3ho8 h TYR 723 Ca 0.13 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 3ho8 h TYR 723 Cb 0.49 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3ho8 h TYR 723 CO -0.41 0.84 -0.19 0.28 -0.00 0.00 0.00 178.16 178.68 3ho8 h VAL 724 N 0.57 0.61 -0.36 -2.88 2.07 -1.24 -1.22 116.25 113.80 3ho8 h VAL 724 Ca 0.08 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3ho8 h VAL 724 Cb 0.73 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3ho8 h VAL 724 CO 0.06 0.04 0.13 0.50 0.02 0.00 0.00 177.57 178.32 3ho8 h LYS 725 N -0.66 0.27 -0.16 1.57 3.64 -1.28 0.28 116.57 120.24 3ho8 h LYS 725 Ca -0.05 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3ho8 h LYS 725 Cb 0.48 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3ho8 h LYS 725 CO 0.09 0.18 -0.07 1.25 -2.27 0.00 0.00 179.45 178.63 3ho8 h LEU 726 N 0.28 -0.24 -0.09 5.20 5.85 -1.27 0.22 115.31 125.26 3ho8 h LEU 726 Ca 0.16 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3ho8 h LEU 726 Cb 0.13 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3ho8 h LEU 726 CO -0.16 -0.10 -0.28 0.00 -0.34 0.00 0.00 178.44 177.56 3ho8 h ALA 727 N 1.09 -0.32 -0.77 1.25 0.00 -1.03 -1.16 119.26 118.32 3ho8 h ALA 727 Ca 0.09 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3ho8 h ALA 727 Cb 0.18 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3ho8 h ALA 727 CO -0.19 -0.76 0.51 -0.22 0.00 0.00 0.00 179.25 178.58 3ho8 h LYS 728 N -0.37 0.63 -0.33 0.00 3.64 -0.04 -0.22 116.57 119.87 3ho8 h LYS 728 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3ho8 h LYS 728 Cb 0.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3ho8 h LYS 728 CO -0.30 0.42 -0.04 1.49 -2.27 0.00 0.00 179.45 178.74 3ho8 h GLU 729 N 0.65 0.62 -0.33 1.90 4.81 -0.04 -2.99 114.58 119.21 3ho8 h GLU 729 Ca 0.36 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3ho8 h GLU 729 Cb 0.53 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3ho8 h GLU 729 CO -0.14 0.77 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.66 3ho8 h LEU 730 N 0.41 0.59 -1.57 1.64 3.38 0.16 -1.72 115.31 118.20 3ho8 h LEU 730 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ho8 h LEU 730 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ho8 h LEU 730 CO 0.03 0.79 0.20 -0.08 0.09 0.00 0.00 178.44 179.46 3ho8 h GLU 731 N 0.54 0.49 0.00 1.13 4.81 -1.28 -0.12 114.58 120.14 3ho8 h GLU 731 Ca 0.09 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3ho8 h GLU 731 Cb 0.62 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3ho8 h GLU 731 CO 0.04 0.36 -0.44 -0.09 -0.73 0.00 0.00 179.01 178.15 3ho8 h ARG 732 N 0.50 0.00 0.00 1.92 2.43 -1.18 -1.97 114.38 116.07 3ho8 h ARG 732 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ho8 h ARG 732 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3ho8 h ARG 732 CO -0.02 0.44 0.00 0.93 -1.51 0.00 0.00 179.97 179.80 3ho8 h GLU 733 N 0.00 0.00 0.00 0.20 4.39 -0.46 -3.47 114.58 115.24 3ho8 h GLU 733 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ho8 h GLU 733 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3ho8 h GLU 733 CO 0.06 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.32 3ho8 n GLY 734 N 1.00 1.21 3.77 -3.84 0.00 -0.74 -5.05 105.19 101.54 3ho8 n GLY 734 Ca 0.05 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 3ho8 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ho8 s PHE 735 N -2.00 2.88 0.07 1.61 0.40 -1.16 -4.93 117.98 114.83 3ho8 s PHE 735 Ca 0.00 1.42 -0.08 0.00 -0.60 0.00 0.00 56.93 57.67 3ho8 s PHE 735 Cb 0.00 -3.65 -0.29 0.00 0.51 0.00 0.00 43.02 39.59 3ho8 s PHE 735 CO 0.00 -2.00 1.12 0.45 0.70 0.00 0.00 175.22 175.49 3ho8 h HIS 736 N 2.80 0.66 -3.83 0.36 3.86 -1.17 -3.45 115.15 114.38 3ho8 h HIS 736 Ca -0.49 -0.47 -0.44 0.00 -1.16 0.00 0.00 60.37 57.81 3ho8 h HIS 736 Cb 1.24 -0.03 -0.31 0.00 1.06 0.00 0.00 27.41 29.37 3ho8 h HIS 736 CO 0.54 1.36 -0.79 0.42 0.86 0.00 0.00 177.93 180.31 3ho8 s ILE 737 N -2.70 0.85 -0.23 2.45 1.01 -1.10 -4.30 121.20 117.18 3ho8 s ILE 737 Ca -0.06 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 3ho8 s ILE 737 Cb 0.06 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3ho8 s ILE 737 CO 0.90 0.26 0.56 -0.22 0.00 0.00 0.00 174.94 176.45 3ho8 s LEU 738 N 0.17 4.09 -0.01 2.97 2.96 -0.55 -1.51 118.68 126.81 3ho8 s LEU 738 Ca -0.03 0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3ho8 s LEU 738 Cb -0.09 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3ho8 s LEU 738 CO 0.01 -0.28 0.12 0.00 -1.32 0.00 0.00 176.35 174.88 3ho8 s ALA 739 N 2.11 3.75 -0.09 5.97 0.00 0.16 0.21 121.76 133.86 3ho8 s ALA 739 Ca 0.24 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3ho8 s ALA 739 Cb -0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 3ho8 s ALA 739 CO 0.09 0.71 -0.21 0.42 0.00 0.00 0.00 175.76 176.78 3ho8 s ILE 740 N -1.24 2.38 -0.44 0.00 1.01 0.15 -1.56 121.20 121.50 3ho8 s ILE 740 Ca 0.24 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3ho8 s ILE 740 Cb -0.12 -1.92 0.13 0.00 0.01 0.00 0.00 42.46 40.55 3ho8 s ILE 740 CO 0.16 0.56 0.21 -0.75 0.00 0.00 0.00 174.94 175.11 3ho8 s LYS 741 N 0.06 1.45 -0.91 2.79 2.20 -1.13 -0.42 119.74 123.78 3ho8 s LYS 741 Ca -0.09 -2.07 -0.21 0.00 -0.36 0.00 0.00 55.97 53.24 3ho8 s LYS 741 Cb -0.15 -2.69 0.09 0.00 -1.51 0.00 0.00 37.83 33.56 3ho8 s LYS 741 CO 0.05 -1.10 1.22 0.34 -0.36 0.00 0.00 175.35 175.51 3ho8 s ASP 742 N 0.37 6.48 0.41 1.43 2.15 -0.50 -2.16 116.67 124.86 3ho8 s ASP 742 Ca 0.16 -1.57 0.26 0.00 0.43 0.00 0.00 52.55 51.83 3ho8 s ASP 742 Cb -0.24 -2.47 0.73 0.00 -0.30 0.00 0.00 42.92 40.64 3ho8 s ASP 742 CO -0.04 -1.33 1.74 0.00 -0.17 0.00 0.00 175.17 175.37 3ho8 h MET 743 N 9.36 0.00 -0.13 4.34 -0.00 -1.84 -3.16 114.93 123.50 3ho8 h MET 743 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 3ho8 h MET 743 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.63 3ho8 h MET 743 CO 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 178.15 3ho8 n ALA 744 N -2.01 2.29 -2.81 -3.00 0.00 -1.26 -3.45 120.51 110.27 3ho8 n ALA 744 Ca 0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 3ho8 n ALA 744 Cb 0.43 -0.28 0.03 0.00 0.00 0.00 0.00 19.45 19.63 3ho8 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ho8 n GLY 745 N 0.31 -0.09 0.07 0.00 0.00 -1.19 -4.75 105.19 99.53 3ho8 n GLY 745 Ca 0.06 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3ho8 n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ho8 n LEU 746 N -2.81 0.82 -4.58 0.99 4.77 -1.26 -4.61 117.00 110.32 3ho8 n LEU 746 Ca -0.06 -0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 3ho8 n LEU 746 Cb 0.57 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3ho8 n LEU 746 CO 0.32 0.19 1.87 -0.22 -1.33 0.00 0.00 177.39 178.22 3ho8 s LEU 747 N -2.89 3.68 0.37 2.23 2.96 -1.26 -4.90 118.68 118.87 3ho8 s LEU 747 Ca 0.13 -2.25 -0.26 0.00 -0.22 0.00 0.00 54.13 51.52 3ho8 s LEU 747 Cb 0.17 -2.58 -0.12 0.00 0.50 0.00 0.00 46.19 44.17 3ho8 s LEU 747 CO 0.71 -1.53 1.11 0.29 -1.32 0.00 0.00 176.35 175.62 3ho8 n LYS 748 N 8.41 1.61 -0.34 1.98 5.02 -1.26 -4.64 118.16 128.94 3ho8 n LYS 748 Ca 0.47 0.57 -0.05 0.00 -2.02 0.00 0.00 58.31 57.29 3ho8 n LYS 748 Cb 0.46 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3ho8 n LYS 748 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ho8 n PRO 749 N 0.36 -0.28 -0.30 1.97 -0.04 -1.26 -0.62 135.00 134.83 3ho8 n PRO 749 Ca 0.08 1.30 -0.04 0.00 -0.04 0.00 0.00 63.50 64.79 3ho8 n PRO 749 Cb 0.37 -1.91 0.10 0.00 -0.04 0.00 0.00 33.50 32.02 3ho8 n PRO 749 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3ho8 h LYS 750 N 0.00 1.19 0.00 0.54 1.63 -1.94 -0.56 116.57 117.43 3ho8 h LYS 750 Ca 0.22 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3ho8 h LYS 750 Cb 0.43 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3ho8 h LYS 750 CO -0.82 0.91 -0.12 0.00 -3.45 0.00 0.00 179.45 175.97 3ho8 h ALA 751 N 1.26 1.66 0.12 5.00 0.00 -1.20 -2.06 119.26 124.04 3ho8 h ALA 751 Ca 0.29 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3ho8 h ALA 751 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ho8 h ALA 751 CO -0.04 0.15 -1.24 0.00 0.00 0.00 0.00 179.25 178.12 3ho8 h ALA 752 N 1.88 0.11 0.04 0.00 0.00 0.33 0.78 119.26 122.40 3ho8 h ALA 752 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 3ho8 h ALA 752 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ho8 h ALA 752 CO 0.02 0.99 -0.02 -0.92 0.00 0.00 0.00 179.25 179.31 3ho8 h TYR 753 N 0.07 -0.05 -0.35 0.00 3.20 -0.91 -2.18 116.97 116.75 3ho8 h TYR 753 Ca -0.13 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 3ho8 h TYR 753 Cb 1.97 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.24 3ho8 h TYR 753 CO 0.06 0.06 -0.01 0.93 -1.64 0.00 0.00 178.16 177.56 3ho8 h GLU 754 N -0.16 0.63 0.05 1.82 5.08 -1.42 -1.67 114.58 118.90 3ho8 h GLU 754 Ca -0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ho8 h GLU 754 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ho8 h GLU 754 CO 0.01 0.75 -0.02 1.25 -1.00 0.00 0.00 179.01 180.00 3ho8 h LEU 755 N 0.43 -0.05 -0.83 1.33 5.85 -0.85 -0.95 115.31 120.25 3ho8 h LEU 755 Ca 0.10 0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.02 3ho8 h LEU 755 Cb 0.48 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 3ho8 h LEU 755 CO 0.02 -0.04 0.27 0.40 -0.34 0.00 0.00 178.44 178.75 3ho8 h ILE 756 N -0.06 0.46 0.14 4.05 1.08 -1.51 -0.41 117.51 121.25 3ho8 h ILE 756 Ca -0.01 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3ho8 h ILE 756 Cb 0.05 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 3ho8 h ILE 756 CO 0.01 0.06 -0.41 1.23 -0.69 0.00 0.00 178.15 178.35 3ho8 h GLY 757 N 0.31 -0.84 -0.17 5.37 0.00 -1.27 -1.73 103.07 104.74 3ho8 h GLY 757 Ca 0.50 0.49 0.24 0.00 0.00 0.00 0.00 47.33 48.56 3ho8 h GLY 757 CO -0.55 -0.27 0.56 0.83 0.00 0.00 0.00 176.54 177.12 3ho8 h GLU 758 N -0.66 0.53 0.18 4.80 4.39 0.34 -3.16 114.58 121.00 3ho8 h GLU 758 Ca 0.02 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 3ho8 h GLU 758 Cb 0.68 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3ho8 h GLU 758 CO -0.23 0.35 -1.34 -0.07 -1.16 0.00 0.00 179.01 176.57 3ho8 h LEU 759 N 0.55 0.78 -1.21 1.33 3.38 -0.51 -2.63 115.31 117.00 3ho8 h LEU 759 Ca 0.64 -0.78 0.19 0.00 0.09 0.00 0.00 57.88 58.02 3ho8 h LEU 759 Cb 1.22 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 3ho8 h LEU 759 CO -0.49 1.60 0.61 0.11 0.09 0.00 0.00 178.44 180.36 3ho8 h LYS 760 N 0.19 0.61 -0.01 1.13 1.79 -1.40 0.18 116.57 119.06 3ho8 h LYS 760 Ca -0.21 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3ho8 h LYS 760 Cb 2.02 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 3ho8 h LYS 760 CO 0.25 0.41 -0.66 -1.13 -1.08 0.00 0.00 179.45 177.23 3ho8 n SER 761 N -4.65 1.32 0.01 0.86 3.41 -1.23 -4.07 113.62 109.28 3ho8 n SER 761 Ca 0.22 -1.09 -0.18 0.00 -0.26 0.00 0.00 58.87 57.56 3ho8 n SER 761 Cb 0.62 0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 65.05 3ho8 n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ho8 h ALA 762 N 3.40 0.47 -2.25 7.33 0.00 -0.90 -3.49 119.26 123.81 3ho8 h ALA 762 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 54.91 53.26 3ho8 h ALA 762 Cb 0.59 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 3ho8 h ALA 762 CO 0.00 1.33 -0.68 0.14 0.00 0.00 0.00 179.25 180.04 3ho8 s VAL 763 N -2.57 0.81 -0.06 0.00 -7.23 0.53 -4.92 120.40 106.96 3ho8 s VAL 763 Ca -0.17 -1.99 0.21 0.00 -1.81 0.00 0.00 61.98 58.22 3ho8 s VAL 763 Cb 0.07 -2.02 -0.32 0.00 0.56 0.00 0.00 36.38 34.67 3ho8 s VAL 763 CO 0.80 -0.58 0.44 0.47 -0.31 0.00 0.00 175.10 175.92 3ho8 n ASP 765 N -0.22 0.03 -4.56 4.85 8.00 -1.26 -4.49 116.55 118.90 3ho8 n ASP 765 Ca -0.08 0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 3ho8 n ASP 765 Cb 0.62 1.81 -0.00 0.00 -0.02 0.00 0.00 41.12 43.53 3ho8 n ASP 765 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ho8 n LEU 766 N -2.34 1.49 -4.75 0.64 4.32 -1.26 -4.92 117.00 110.19 3ho8 n LEU 766 Ca -0.08 1.08 -0.38 0.00 -0.02 0.00 0.00 56.01 56.61 3ho8 n LEU 766 Cb 0.65 -1.25 0.04 0.00 -1.62 0.00 0.00 43.42 41.23 3ho8 n LEU 766 CO 0.45 -1.82 0.98 -2.16 -1.22 0.00 0.00 177.39 173.62 3ho8 s PRO 767 N -1.67 3.17 -0.18 3.23 0.04 -1.26 -4.72 135.00 133.61 3ho8 s PRO 767 Ca 0.61 2.22 -0.07 0.00 0.04 0.00 0.00 61.00 63.79 3ho8 s PRO 767 Cb -0.65 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3ho8 s PRO 767 CO 0.58 -1.16 0.07 0.42 0.04 0.00 0.00 177.00 176.95 3ho8 s ILE 768 N -1.31 4.85 -0.35 0.56 1.01 -1.26 -1.48 121.20 123.21 3ho8 s ILE 768 Ca 0.71 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 3ho8 s ILE 768 Cb -0.40 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 38.96 3ho8 s ILE 768 CO 0.47 0.47 0.11 -2.28 0.00 0.00 0.00 174.94 173.71 3ho8 s HIS 769 N 0.27 3.38 -0.12 3.97 2.46 0.13 -1.46 115.29 123.93 3ho8 s HIS 769 Ca 0.04 -1.95 -0.10 0.00 0.47 0.00 0.00 55.06 53.51 3ho8 s HIS 769 Cb -0.12 -2.59 -0.05 0.00 -0.13 0.00 0.00 32.58 29.69 3ho8 s HIS 769 CO 0.00 -0.85 0.22 -1.17 -2.47 0.00 0.00 174.74 170.47 3ho8 s LEU 770 N 1.25 4.35 -0.01 8.88 2.96 0.82 0.31 118.68 137.24 3ho8 s LEU 770 Ca 0.01 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 3ho8 s LEU 770 Cb -0.21 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 3ho8 s LEU 770 CO -0.01 0.29 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.95 3ho8 s HIS 771 N -0.51 0.71 0.34 5.38 5.65 0.44 -2.74 115.29 124.56 3ho8 s HIS 771 Ca 0.16 -0.14 -0.08 0.00 0.25 0.00 0.00 55.06 55.25 3ho8 s HIS 771 Cb -0.13 -0.47 0.02 0.00 -1.18 0.00 0.00 32.58 30.81 3ho8 s HIS 771 CO 0.05 -0.03 0.56 -0.08 -0.65 0.00 0.00 174.74 174.59 3ho8 s THR 772 N -0.10 0.00 -0.07 0.89 -1.32 -1.26 -1.41 115.64 112.36 3ho8 s THR 772 Ca 0.02 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.13 3ho8 s THR 772 Cb -0.04 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 3ho8 s THR 772 CO -0.00 0.00 -0.18 -1.00 -2.21 0.00 0.00 174.62 171.23 3ho8 s HIS 773 N -3.05 1.91 -0.36 9.09 3.76 -1.24 -4.35 115.29 121.05 3ho8 s HIS 773 Ca 0.25 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3ho8 s HIS 773 Cb -0.02 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.36 3ho8 s HIS 773 CO 0.16 -0.29 0.57 -3.47 -0.85 0.00 0.00 174.74 170.85 3ho8 n ASP 774 N 3.52 1.58 -0.12 1.40 4.64 0.77 -4.01 116.55 124.33 3ho8 n ASP 774 Ca -0.20 -1.39 0.13 0.00 -1.38 0.00 0.00 54.79 51.95 3ho8 n ASP 774 Cb 0.52 -0.35 0.49 0.00 -1.04 0.00 0.00 41.12 40.75 3ho8 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ho8 h THR 775 N 0.19 0.86 0.00 5.18 1.03 -1.04 -1.12 112.91 118.02 3ho8 h THR 775 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 3ho8 h THR 775 Cb 0.57 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 3ho8 h THR 775 CO 0.00 0.08 -0.38 -1.54 -0.01 0.00 0.00 175.52 173.67 3ho8 n SER 776 N -4.47 0.49 0.00 0.00 3.41 -1.26 -2.09 113.62 109.70 3ho8 n SER 776 Ca 0.12 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3ho8 n SER 776 Cb 0.43 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3ho8 n SER 776 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ho8 n GLY 777 N 1.43 1.70 1.13 5.00 0.00 -0.43 -4.58 105.19 109.45 3ho8 n GLY 777 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3ho8 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ho8 n ASN 778 N 0.00 3.49 -0.26 1.61 5.03 -1.26 -4.63 115.26 119.25 3ho8 n ASN 778 Ca 0.00 -1.97 0.05 0.00 0.87 0.00 0.00 54.58 53.53 3ho8 n ASN 778 Cb 0.00 -0.30 0.18 0.00 -1.02 0.00 0.00 39.78 38.64 3ho8 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3ho8 h GLY 779 N 4.12 1.14 0.74 7.41 0.00 -1.84 0.12 103.07 114.75 3ho8 h GLY 779 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3ho8 h GLY 779 CO 0.00 -0.08 0.07 1.41 0.00 0.00 0.00 176.54 177.94 3ho8 h LEU 780 N 0.47 0.05 0.15 3.11 3.38 -1.96 -1.48 115.31 119.01 3ho8 h LEU 780 Ca 0.41 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 3ho8 h LEU 780 Cb 0.60 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ho8 h LEU 780 CO -0.39 0.06 -0.07 0.25 0.09 0.00 0.00 178.44 178.38 3ho8 h LEU 781 N 0.17 -0.17 -0.75 1.67 6.46 -1.20 0.15 115.31 121.65 3ho8 h LEU 781 Ca 0.12 -0.07 0.17 0.00 -0.12 0.00 0.00 57.88 57.97 3ho8 h LEU 781 Cb 0.10 0.04 -0.13 0.00 -0.73 0.00 0.00 40.66 39.95 3ho8 h LEU 781 CO -0.14 -0.03 -0.00 0.74 -0.62 0.00 0.00 178.44 178.39 3ho8 h THR 782 N -0.29 0.35 -0.12 1.05 2.02 -0.94 -0.80 112.91 114.18 3ho8 h THR 782 Ca -0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ho8 h THR 782 Cb 0.23 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3ho8 h THR 782 CO 0.03 0.02 0.03 1.88 0.37 0.00 0.00 175.52 177.85 3ho8 h TYR 783 N 0.10 0.19 0.28 3.16 0.99 -0.31 -0.32 116.97 121.07 3ho8 h TYR 783 Ca 0.40 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.12 3ho8 h TYR 783 Cb 0.71 -0.05 -0.04 0.00 1.00 0.00 0.00 36.73 38.34 3ho8 h TYR 783 CO -0.42 0.33 -0.51 -0.22 -0.00 0.00 0.00 178.16 177.34 3ho8 h LYS 784 N -0.00 -0.82 -0.80 4.88 3.11 -0.19 -0.08 116.57 122.67 3ho8 h LYS 784 Ca 0.04 0.06 0.17 0.00 -2.81 0.00 0.00 60.65 58.10 3ho8 h LYS 784 Cb 0.23 0.19 -0.11 0.00 -1.00 0.00 0.00 32.23 31.54 3ho8 h LYS 784 CO -0.00 -0.55 0.29 1.96 -2.81 0.00 0.00 179.45 178.35 3ho8 h GLN 785 N -0.85 0.37 -0.97 1.90 1.08 -1.12 0.64 115.11 116.17 3ho8 h GLN 785 Ca -0.03 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3ho8 h GLN 785 Cb 0.80 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.08 3ho8 h GLN 785 CO -0.19 0.25 0.62 0.00 -0.95 0.00 0.00 178.83 178.56 3ho8 h ALA 786 N 1.62 1.33 -0.27 3.87 0.00 -0.21 -1.06 119.26 124.53 3ho8 h ALA 786 Ca 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3ho8 h ALA 786 Cb 0.78 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ho8 h ALA 786 CO -0.48 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.03 3ho8 h ILE 787 N 1.13 1.24 -0.88 0.00 2.04 0.91 -1.85 117.51 120.11 3ho8 h ILE 787 Ca 0.41 -0.84 0.21 0.00 1.00 0.00 0.00 64.86 65.64 3ho8 h ILE 787 Cb 0.15 1.27 -0.12 0.00 -0.74 0.00 0.00 36.82 37.38 3ho8 h ILE 787 CO -0.17 0.27 0.38 0.44 0.00 0.00 0.00 178.15 179.07 3ho8 h ASP 788 N 0.25 0.33 0.00 1.72 3.45 -0.17 -0.42 116.42 121.58 3ho8 h ASP 788 Ca 0.08 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.68 3ho8 h ASP 788 Cb 0.37 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3ho8 h ASP 788 CO 0.01 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 177.70 3ho8 n ALA 789 N -2.50 2.55 -0.45 3.45 0.00 -0.49 -4.84 120.51 118.22 3ho8 n ALA 789 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ho8 n ALA 789 Cb 0.61 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3ho8 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ho8 n GLY 790 N 0.65 0.77 3.42 0.00 0.00 -0.17 -4.08 105.19 105.78 3ho8 n GLY 790 Ca 0.08 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ho8 n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ho8 n VAL 791 N -2.45 1.59 -0.12 1.61 3.14 -0.76 -4.97 118.33 116.36 3ho8 n VAL 791 Ca 0.00 -0.43 -0.23 0.00 -2.96 0.00 0.00 64.34 60.73 3ho8 n VAL 791 Cb 0.00 -0.62 -0.09 0.00 -1.06 0.00 0.00 33.84 32.07 3ho8 n VAL 791 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3ho8 n ASP 792 N 0.28 1.89 -4.02 6.55 8.00 -0.94 -4.85 116.55 123.45 3ho8 n ASP 792 Ca 0.09 0.15 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 3ho8 n ASP 792 Cb 0.50 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.86 3ho8 n ASP 792 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ho8 s ILE 793 N -2.45 0.69 0.18 0.53 1.01 -0.53 -2.41 121.20 118.22 3ho8 s ILE 793 Ca -0.33 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.05 3ho8 s ILE 793 Cb 0.11 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 3ho8 s ILE 793 CO 0.46 0.20 -0.21 0.27 0.00 0.00 0.00 174.94 175.65 3ho8 s ILE 794 N -0.19 2.10 -0.15 2.92 -4.36 -0.88 -0.13 121.20 120.52 3ho8 s ILE 794 Ca 0.03 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.36 3ho8 s ILE 794 Cb -0.04 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3ho8 s ILE 794 CO -0.00 -0.21 0.16 -1.81 0.24 0.00 0.00 174.94 173.32 3ho8 s ASP 795 N -2.66 6.35 0.01 4.36 1.11 -1.11 0.75 116.67 125.47 3ho8 s ASP 795 Ca 0.18 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.32 3ho8 s ASP 795 Cb -0.07 -2.09 -0.00 0.00 1.07 0.00 0.00 42.92 41.83 3ho8 s ASP 795 CO 0.08 0.31 0.01 0.35 1.18 0.00 0.00 175.17 177.10 3ho8 n THR 796 N 2.61 0.00 -3.59 -1.27 -2.24 0.12 -4.55 114.28 105.36 3ho8 n THR 796 Ca -0.18 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3ho8 n THR 796 Cb 0.54 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3ho8 n THR 796 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ho8 s ALA 797 N -2.01 -1.82 0.54 6.98 0.00 -1.23 0.11 121.76 124.33 3ho8 s ALA 797 Ca 0.01 1.72 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 3ho8 s ALA 797 Cb 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 3ho8 s ALA 797 CO 0.01 -0.33 1.18 1.33 0.00 0.00 0.00 175.76 177.94 3ho8 n VAL 798 N 1.83 3.53 -0.31 0.00 0.24 -1.26 -2.20 118.33 120.16 3ho8 n VAL 798 Ca -0.15 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.66 3ho8 n VAL 798 Cb 0.56 -1.42 0.09 0.00 -1.47 0.00 0.00 33.84 31.59 3ho8 n VAL 798 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ho8 h ALA 799 N 1.19 0.41 0.00 2.33 0.00 -1.92 0.39 119.26 121.67 3ho8 h ALA 799 Ca -0.49 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ho8 h ALA 799 Cb 1.33 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3ho8 h ALA 799 CO 0.55 -0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 3ho8 n SER 800 N -5.53 0.00 -0.90 0.00 3.41 -1.26 -2.11 113.62 107.23 3ho8 n SER 800 Ca 0.11 -0.45 0.05 0.00 -0.26 0.00 0.00 58.87 58.32 3ho8 n SER 800 Cb 0.42 -0.05 0.12 0.00 -0.26 0.00 0.00 64.21 64.45 3ho8 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ho8 n MET 801 N -1.05 0.90 -2.67 4.33 2.00 0.14 -4.71 117.12 116.07 3ho8 n MET 801 Ca 0.12 -2.67 -0.06 0.00 0.00 0.00 0.00 57.70 55.09 3ho8 n MET 801 Cb 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 33.22 32.31 3ho8 n MET 801 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3ho8 n SER 802 N -0.48 0.13 -0.21 7.83 3.41 -0.90 -4.72 113.62 118.68 3ho8 n SER 802 Ca 0.13 -1.64 0.03 0.00 -0.26 0.00 0.00 58.87 57.13 3ho8 n SER 802 Cb 0.86 0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3ho8 n SER 802 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ho8 n GLY 803 N 0.25 -1.94 7.00 5.00 0.00 -0.49 -4.79 105.19 110.22 3ho8 n GLY 803 Ca 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3ho8 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ho8 n LEU 804 N -2.57 0.00 0.00 0.99 4.77 -1.22 -1.15 117.00 117.82 3ho8 n LEU 804 Ca -0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3ho8 n LEU 804 Cb 0.10 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 3ho8 n LEU 804 CO 0.00 0.00 0.57 0.35 -1.33 0.00 0.00 177.39 176.99 3ho8 n THR 805 N 0.00 0.86 -1.38 -5.08 -2.24 -1.26 -0.54 114.28 104.65 3ho8 n THR 805 Ca 0.00 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3ho8 n THR 805 Cb 0.00 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 3ho8 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ho8 n SER 806 N -1.30 0.00 -4.91 3.42 2.88 -0.30 -4.64 113.62 108.77 3ho8 n SER 806 Ca 0.04 -0.82 -0.28 0.00 -1.33 0.00 0.00 58.87 56.48 3ho8 n SER 806 Cb 0.07 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.59 3ho8 n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3ho8 s GLN 807 N -2.08 2.46 0.39 -1.46 -1.52 -1.26 -0.16 119.66 116.03 3ho8 s GLN 807 Ca 0.00 0.04 -0.26 0.00 -1.95 0.00 0.00 55.36 53.19 3ho8 s GLN 807 Cb 0.00 -2.11 -0.11 0.00 -0.22 0.00 0.00 33.01 30.57 3ho8 s GLN 807 CO 0.00 -1.15 1.18 -2.30 -0.25 0.00 0.00 175.29 172.78 3ho8 n PRO 808 N -2.95 1.77 -2.06 2.91 -0.02 -1.26 -1.39 135.00 132.00 3ho8 n PRO 808 Ca 0.07 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3ho8 n PRO 808 Cb 0.59 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3ho8 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ho8 s SER 809 N -0.54 6.59 0.18 2.55 0.15 -1.26 -3.52 113.70 117.85 3ho8 s SER 809 Ca 0.60 2.03 -0.21 0.00 0.70 0.00 0.00 55.95 59.07 3ho8 s SER 809 Cb -0.55 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.34 3ho8 s SER 809 CO 0.59 -1.02 1.59 0.00 1.20 0.00 0.00 173.24 175.60 3ho8 h ALA 810 N 9.85 -0.06 -0.29 5.45 0.00 -1.77 -0.98 119.26 131.46 3ho8 h ALA 810 Ca -0.37 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ho8 h ALA 810 Cb 1.17 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 3ho8 h ALA 810 CO 0.97 -0.68 -0.50 -0.91 0.00 0.00 0.00 179.25 178.13 3ho8 h ASN 811 N -0.18 -1.65 -0.34 0.00 2.35 -1.92 -0.70 115.58 113.15 3ho8 h ASN 811 Ca 0.22 0.21 0.06 0.00 -0.55 0.00 0.00 56.30 56.24 3ho8 h ASN 811 Cb 0.54 0.66 -0.08 0.00 0.05 0.00 0.00 38.32 39.49 3ho8 h ASN 811 CO -0.64 -0.39 -0.41 0.28 -1.65 0.00 0.00 177.43 174.63 3ho8 h SER 812 N -0.42 -1.34 -0.90 5.81 0.02 -1.89 -2.32 113.55 112.51 3ho8 h SER 812 Ca 0.05 0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.38 3ho8 h SER 812 Cb 0.56 0.58 -0.10 0.00 0.14 0.00 0.00 62.40 63.58 3ho8 h SER 812 CO -0.49 -0.37 0.48 0.25 -1.14 0.00 0.00 176.83 175.55 3ho8 h LEU 813 N -0.35 0.57 -0.55 5.07 5.85 -0.48 -0.61 115.31 124.80 3ho8 h LEU 813 Ca 0.13 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3ho8 h LEU 813 Cb 0.59 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3ho8 h LEU 813 CO -0.52 0.20 0.26 0.22 -0.34 0.00 0.00 178.44 178.25 3ho8 h TYR 814 N 0.62 0.47 0.05 1.25 3.20 -0.56 -1.83 116.97 120.17 3ho8 h TYR 814 Ca 0.51 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 62.16 3ho8 h TYR 814 Cb 0.80 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3ho8 h TYR 814 CO -0.07 0.20 -1.15 1.88 -1.64 0.00 0.00 178.16 177.37 3ho8 h TYR 815 N 0.49 0.19 -0.57 -3.82 -1.99 -1.56 -3.33 116.97 106.38 3ho8 h TYR 815 Ca 0.26 -0.14 0.16 0.00 2.00 0.00 0.00 58.73 61.01 3ho8 h TYR 815 Cb 0.21 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 3ho8 h TYR 815 CO -0.12 1.12 0.62 0.00 -0.00 0.00 0.00 178.16 179.78 3ho8 h ALA 816 N 0.83 2.32 -0.31 3.88 0.00 -0.25 0.72 119.26 126.45 3ho8 h ALA 816 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ho8 h ALA 816 Cb 1.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3ho8 h ALA 816 CO 0.15 -0.91 0.00 1.28 0.00 0.00 0.00 179.25 179.77 3ho8 n LEU 817 N -3.62 3.31 -4.74 0.00 4.77 -1.04 -4.96 117.00 110.73 3ho8 n LEU 817 Ca 0.11 -1.41 -0.42 0.00 -0.03 0.00 0.00 56.01 54.27 3ho8 n LEU 817 Cb 0.83 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3ho8 n LEU 817 CO 0.27 0.69 1.32 0.20 -1.33 0.00 0.00 177.39 178.53 3ho8 s ASN 818 N -1.54 6.36 -0.51 -1.43 0.02 0.24 -0.91 114.94 117.18 3ho8 s ASN 818 Ca 0.35 2.93 0.00 0.00 -1.02 0.00 0.00 52.86 55.12 3ho8 s ASN 818 Cb 0.21 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.86 3ho8 s ASN 818 CO 0.30 -0.95 0.00 0.61 0.02 0.00 0.00 177.10 177.08 3ho8 n GLY 819 N 3.03 0.69 3.42 0.66 0.00 -1.26 -5.04 105.19 106.70 3ho8 n GLY 819 Ca 0.12 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3ho8 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ho8 s PHE 820 N -2.19 2.37 0.25 1.61 0.40 -0.08 -5.07 117.98 115.26 3ho8 s PHE 820 Ca 0.00 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 3ho8 s PHE 820 Cb 0.00 -1.26 0.46 0.00 0.51 0.00 0.00 43.02 42.73 3ho8 s PHE 820 CO 0.00 0.38 1.65 -1.00 0.70 0.00 0.00 175.22 176.95 3ho8 h PRO 821 N 3.73 0.15 -6.10 0.24 0.13 -1.96 -3.41 132.00 124.78 3ho8 h PRO 821 Ca -0.50 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.94 3ho8 h PRO 821 Cb 1.18 -0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.06 3ho8 h PRO 821 CO 0.42 0.10 -0.72 1.03 -0.23 0.00 0.00 178.00 178.60 3ho8 s ARG 822 N -6.08 2.76 0.41 0.86 0.52 -1.26 -5.03 118.95 111.13 3ho8 s ARG 822 Ca -0.13 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 3ho8 s ARG 822 Cb 0.22 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 3ho8 s ARG 822 CO 0.75 0.59 0.18 -1.01 0.02 0.00 0.00 175.30 175.84 3ho8 s HIS 823 N -0.63 2.61 -0.35 -0.53 3.76 -1.26 -4.90 115.29 113.98 3ho8 s HIS 823 Ca 0.09 -0.58 -0.23 0.00 -0.15 0.00 0.00 55.06 54.19 3ho8 s HIS 823 Cb -0.11 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.63 3ho8 s HIS 823 CO 0.01 0.19 0.78 -1.17 -0.85 0.00 0.00 174.74 173.70 3ho8 s LEU 824 N -3.90 4.12 -1.00 0.89 2.96 -1.26 -1.12 118.68 119.38 3ho8 s LEU 824 Ca 0.41 0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 54.50 3ho8 s LEU 824 Cb 0.04 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 3ho8 s LEU 824 CO 0.23 -0.69 1.91 -0.60 -1.32 0.00 0.00 176.35 175.87 3ho8 s ARG 825 N 3.04 2.64 0.00 1.98 6.06 -1.11 -4.81 118.95 126.75 3ho8 s ARG 825 Ca 0.31 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 52.92 3ho8 s ARG 825 Cb -0.13 -5.14 0.00 0.00 0.06 0.00 0.00 34.95 29.73 3ho8 s ARG 825 CO 0.16 -3.44 0.00 -2.37 -2.50 0.00 0.00 175.30 167.15 3ho8 n THR 826 N 7.76 0.00 -3.54 4.11 5.66 -1.26 -4.52 114.28 122.48 3ho8 n THR 826 Ca 0.41 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.12 3ho8 n THR 826 Cb 0.47 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.12 3ho8 n THR 826 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ho8 s ASP 827 N 0.12 3.30 0.27 1.09 3.68 -1.26 -5.03 116.67 118.84 3ho8 s ASP 827 Ca 0.00 -1.96 -0.03 0.00 2.13 0.00 0.00 52.55 52.69 3ho8 s ASP 827 Cb 0.00 -0.51 0.40 0.00 -1.45 0.00 0.00 42.92 41.36 3ho8 s ASP 827 CO 0.00 -0.35 1.90 0.16 0.13 0.00 0.00 175.17 177.02 3ho8 h ILE 828 N 5.54 1.13 -0.44 4.11 -0.00 -1.97 0.05 117.51 125.94 3ho8 h ILE 828 Ca -0.03 -0.41 -0.10 0.00 -0.00 0.00 0.00 64.86 64.32 3ho8 h ILE 828 Cb 0.98 -0.17 -0.02 0.00 -0.00 0.00 0.00 36.82 37.61 3ho8 h ILE 828 CO 0.35 0.22 -0.12 -0.08 -0.00 0.00 0.00 178.15 178.52 3ho8 h GLU 829 N 1.19 0.80 -0.12 0.16 4.81 -1.99 0.83 114.58 120.27 3ho8 h GLU 829 Ca 0.40 -0.28 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 3ho8 h GLU 829 Cb 0.08 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3ho8 h GLU 829 CO -0.14 0.89 -0.81 0.78 -0.73 0.00 0.00 179.01 178.99 3ho8 h GLY 830 N 0.97 0.78 1.25 1.92 0.00 -1.85 -3.11 103.07 103.05 3ho8 h GLY 830 Ca 0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.28 3ho8 h GLY 830 CO 0.04 1.02 0.35 1.98 0.00 0.00 0.00 176.54 179.93 3ho8 h MET 831 N 0.47 0.97 -0.70 4.80 1.85 -0.43 -2.40 114.93 119.49 3ho8 h MET 831 Ca -0.06 -0.12 -0.04 0.00 -0.61 0.00 0.00 59.70 58.87 3ho8 h MET 831 Cb 1.43 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 33.25 3ho8 h MET 831 CO 0.16 0.74 0.30 0.93 -0.40 0.00 0.00 176.91 178.63 3ho8 h GLU 832 N 0.97 1.04 -0.96 0.39 4.39 0.68 -0.09 114.58 121.00 3ho8 h GLU 832 Ca 0.24 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3ho8 h GLU 832 Cb 0.07 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3ho8 h GLU 832 CO -0.03 0.85 0.60 0.77 -1.16 0.00 0.00 179.01 180.03 3ho8 h SER 833 N 0.99 1.13 -0.02 1.42 0.02 -1.42 -0.66 113.55 115.02 3ho8 h SER 833 Ca 0.24 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3ho8 h SER 833 Cb 0.18 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3ho8 h SER 833 CO -0.02 0.85 0.00 -0.07 -1.14 0.00 0.00 176.83 176.45 3ho8 h LEU 834 N 1.32 0.04 -0.81 5.07 3.38 -0.91 -1.31 115.31 122.08 3ho8 h LEU 834 Ca 0.35 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3ho8 h LEU 834 Cb -0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 3ho8 h LEU 834 CO -0.07 0.30 0.43 -1.28 0.09 0.00 0.00 178.44 177.91 3ho8 h SER 835 N -0.23 0.57 -0.04 -0.43 0.87 -0.57 0.37 113.55 114.10 3ho8 h SER 835 Ca 0.01 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3ho8 h SER 835 Cb 0.28 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3ho8 h SER 835 CO 0.00 0.30 -0.01 0.45 -0.53 0.00 0.00 176.83 177.04 3ho8 h HIS 836 N 0.69 -0.01 0.36 2.24 3.86 -0.78 -1.62 115.15 119.89 3ho8 h HIS 836 Ca 0.41 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 3ho8 h HIS 836 Cb 0.47 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3ho8 h HIS 836 CO -0.08 -0.01 -0.35 -0.92 0.86 0.00 0.00 177.93 177.43 3ho8 h TYR 837 N 0.00 -0.97 -0.52 2.45 3.20 -0.14 -2.79 116.97 118.21 3ho8 h TYR 837 Ca 0.02 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.04 3ho8 h TYR 837 Cb 0.02 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3ho8 h TYR 837 CO -0.10 -0.47 0.38 -1.49 -1.64 0.00 0.00 178.16 174.84 3ho8 h TRP 838 N -0.70 0.00 -0.23 -3.82 4.06 -0.93 0.39 115.95 114.72 3ho8 h TRP 838 Ca -0.05 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.91 3ho8 h TRP 838 Cb 0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 3ho8 h TRP 838 CO -0.19 0.00 0.14 1.03 -3.56 0.00 0.00 178.44 175.86 3ho8 h SER 839 N 0.00 0.23 0.50 -3.49 0.87 -1.12 0.59 113.55 111.13 3ho8 h SER 839 Ca 0.25 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.66 3ho8 h SER 839 Cb 1.00 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 3ho8 h SER 839 CO -0.00 0.17 -0.62 0.74 -0.53 0.00 0.00 176.83 176.58 3ho8 h THR 840 N 0.28 1.42 -0.04 2.23 2.02 -0.03 -2.99 112.91 115.80 3ho8 h THR 840 Ca 0.09 -2.08 -0.20 0.00 0.77 0.00 0.00 66.41 64.99 3ho8 h THR 840 Cb -0.02 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3ho8 h THR 840 CO -0.03 0.60 -0.83 0.58 0.37 0.00 0.00 175.52 176.21 3ho8 h VAL 841 N 0.08 1.40 -0.50 3.16 2.07 -0.84 -3.00 116.25 118.62 3ho8 h VAL 841 Ca -0.01 -2.31 0.15 0.00 0.82 0.00 0.00 66.70 65.35 3ho8 h VAL 841 Cb 1.12 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 3ho8 h VAL 841 CO 0.09 0.69 0.37 -0.09 0.02 0.00 0.00 177.57 178.64 3ho8 h ARG 842 N 0.24 0.00 -0.06 1.57 2.43 0.34 -0.48 114.38 118.43 3ho8 h ARG 842 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ho8 h ARG 842 Cb 1.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3ho8 h ARG 842 CO 0.14 0.00 -0.01 1.15 -1.51 0.00 0.00 179.97 179.74 3ho8 h THR 843 N 0.00 1.05 0.00 0.20 2.02 -1.52 -1.13 112.91 113.53 3ho8 h THR 843 Ca 0.24 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3ho8 h THR 843 Cb 0.97 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3ho8 h THR 843 CO -0.00 0.06 -0.08 1.88 0.37 0.00 0.00 175.52 177.75 3ho8 h TYR 844 N 0.08 0.00 -0.60 3.16 0.99 -1.24 -2.93 116.97 116.43 3ho8 h TYR 844 Ca 0.02 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.55 3ho8 h TYR 844 Cb 0.07 0.00 -0.12 0.00 1.00 0.00 0.00 36.73 37.68 3ho8 h TYR 844 CO 0.00 0.08 0.20 0.66 -0.00 0.00 0.00 178.16 179.09 3ho8 n TYR 845 N -3.27 1.98 -0.22 4.88 4.02 -0.43 -4.74 117.16 119.39 3ho8 n TYR 845 Ca -0.00 -1.30 0.15 0.00 -0.01 0.00 0.00 57.90 56.73 3ho8 n TYR 845 Cb 0.29 -0.61 0.45 0.00 -0.02 0.00 0.00 39.34 39.45 3ho8 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ho8 h SER 846 N 1.99 0.50 0.60 7.72 4.64 -1.58 -1.84 113.55 125.59 3ho8 h SER 846 Ca 0.25 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 3ho8 h SER 846 Cb 2.10 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3ho8 h SER 846 CO 0.62 0.25 -0.17 0.44 -0.87 0.00 0.00 176.83 177.09 3ho8 h ASP 847 N 0.53 0.00 -0.60 4.97 3.32 -1.89 -2.92 116.42 119.83 3ho8 h ASP 847 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ho8 h ASP 847 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3ho8 h ASP 847 CO -0.16 0.17 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 3ho8 n PHE 848 N -3.53 0.79 -1.65 4.55 3.01 -0.69 -4.96 117.46 114.99 3ho8 n PHE 848 Ca -0.01 -0.40 -0.42 0.00 1.01 0.00 0.00 57.45 57.63 3ho8 n PHE 848 Cb 0.32 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 3ho8 n PHE 848 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ho8 s GLU 849 N -1.21 3.84 0.75 -1.08 0.41 -1.10 -3.82 118.70 116.49 3ho8 s GLU 849 Ca 0.45 2.45 -0.11 0.00 -0.41 0.00 0.00 54.97 57.35 3ho8 s GLU 849 Cb 0.25 -4.23 0.04 0.00 -1.78 0.00 0.00 34.13 28.41 3ho8 s GLU 849 CO 0.33 -1.30 1.08 -1.54 -0.49 0.00 0.00 175.26 173.34 3ho8 s SER 852 N 5.60 4.88 0.25 -0.19 1.04 -1.15 -4.95 113.70 119.18 3ho8 s SER 852 Ca 0.92 1.50 -0.03 0.00 0.48 0.00 0.00 55.95 58.82 3ho8 s SER 852 Cb -0.40 -2.30 0.47 0.00 0.10 0.00 0.00 66.02 63.89 3ho8 s SER 852 CO 0.40 -1.75 1.76 0.44 0.98 0.00 0.00 173.24 175.07 3ho8 h ASP 853 N -0.93 0.46 -2.21 7.02 3.32 -1.94 -3.44 116.42 118.70 3ho8 h ASP 853 Ca -0.45 0.09 -0.58 0.00 0.02 0.00 0.00 57.03 56.11 3ho8 h ASP 853 Cb 1.24 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 3ho8 h ASP 853 CO 0.57 0.21 1.40 -0.63 -1.72 0.00 0.00 179.24 179.07 3ho8 s ILE 854 N -6.00 3.14 -2.31 0.35 1.09 -1.26 -4.87 121.20 111.33 3ho8 s ILE 854 Ca -0.12 0.15 0.19 0.00 -1.10 0.00 0.00 60.65 59.76 3ho8 s ILE 854 Cb 0.21 -3.17 0.15 0.00 -1.06 0.00 0.00 42.46 38.58 3ho8 s ILE 854 CO 0.77 -0.09 1.09 0.29 -0.10 0.00 0.00 174.94 176.89 3ho8 n LYS 855 N 8.47 1.57 -3.51 2.79 4.76 -1.26 -4.98 118.16 126.01 3ho8 n LYS 855 Ca 0.27 -1.60 -0.08 0.00 -2.87 0.00 0.00 58.31 54.03 3ho8 n LYS 855 Cb 0.45 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 3ho8 n LYS 855 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ho8 s SER 856 N -1.55 -0.35 0.77 4.39 1.04 -1.26 -5.13 113.70 111.61 3ho8 s SER 856 Ca 0.22 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 3ho8 s SER 856 Cb 0.15 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.70 3ho8 s SER 856 CO 0.23 -0.58 1.20 -2.16 0.98 0.00 0.00 173.24 172.91 3ho8 s PRO 857 N -2.99 1.87 -0.10 4.02 0.04 -1.26 -5.01 135.00 131.57 3ho8 s PRO 857 Ca 0.05 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 3ho8 s PRO 857 Cb -0.01 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.77 3ho8 s PRO 857 CO -0.08 -2.03 0.05 1.21 0.04 0.00 0.00 177.00 176.19 3ho8 s ASN 858 N -2.17 1.80 0.00 6.66 3.04 -0.89 -5.00 114.94 118.37 3ho8 s ASN 858 Ca 0.73 -0.26 0.23 0.00 0.04 0.00 0.00 52.86 53.60 3ho8 s ASN 858 Cb -0.28 -0.29 0.14 0.00 -1.54 0.00 0.00 41.25 39.28 3ho8 s ASN 858 CO 0.48 -0.27 1.16 0.35 -3.04 0.00 0.00 177.10 175.78 3ho8 n THR 859 N 5.23 0.00 0.32 -5.21 -2.24 -1.26 -3.91 114.28 107.21 3ho8 n THR 859 Ca -0.06 -0.09 0.21 0.00 -2.27 0.00 0.00 64.05 61.84 3ho8 n THR 859 Cb 0.49 0.82 1.07 0.00 -2.10 0.00 0.00 70.33 70.62 3ho8 n THR 859 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ho8 h GLU 860 N 0.86 0.00 0.00 -0.78 5.08 -1.98 -2.09 114.58 115.67 3ho8 h GLU 860 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ho8 h GLU 860 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ho8 h GLU 860 CO 0.00 0.01 0.53 -0.84 -1.00 0.00 0.00 179.01 177.71 3ho8 h ILE 861 N 0.00 0.00 0.00 3.13 3.07 -1.94 0.43 117.51 122.20 3ho8 h ILE 861 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3ho8 h ILE 861 Cb 0.13 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.04 3ho8 h ILE 861 CO 0.00 0.00 -0.34 -1.22 -1.05 0.00 0.00 178.15 175.54 3ho8 n TYR 862 N -2.52 0.51 -0.02 0.16 0.53 -0.79 -1.81 117.16 113.23 3ho8 n TYR 862 Ca -0.01 0.15 -0.02 0.00 -1.02 0.00 0.00 57.90 57.00 3ho8 n TYR 862 Cb 0.56 -0.66 -0.01 0.00 -1.03 0.00 0.00 39.34 38.21 3ho8 n TYR 862 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ho8 n GLN 863 N -1.98 0.10 0.15 -0.72 0.00 0.14 -4.79 117.38 110.28 3ho8 n GLN 863 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 57.00 57.13 3ho8 n GLN 863 Cb 0.41 -0.72 0.21 0.00 0.00 0.00 0.00 30.24 30.14 3ho8 n GLN 863 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 3ho8 h HIS 864 N -0.20 0.00 -2.01 2.61 2.07 -1.54 -3.46 115.15 112.62 3ho8 h HIS 864 Ca 0.00 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.29 3ho8 h HIS 864 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 3ho8 h HIS 864 CO -0.08 0.56 -0.31 0.39 -3.07 0.00 0.00 177.93 175.42 3ho8 n GLU 865 N -3.71 -1.52 -2.43 5.12 1.02 -0.75 -4.40 120.64 113.97 3ho8 n GLU 865 Ca -0.01 0.55 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 3ho8 n GLU 865 Cb 0.60 -4.67 -0.03 0.00 -0.02 0.00 0.00 31.44 27.32 3ho8 n GLU 865 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ho8 s MET 866 N -4.77 4.35 0.53 3.49 1.75 -1.26 -4.93 119.30 118.46 3ho8 s MET 866 Ca 0.05 1.71 -0.20 0.00 -1.25 0.00 0.00 55.69 56.01 3ho8 s MET 866 Cb -0.02 -3.54 -0.06 0.00 2.84 0.00 0.00 34.83 34.05 3ho8 s MET 866 CO 0.07 -0.44 1.17 -1.25 -0.65 0.00 0.00 175.02 173.92 3ho8 s PRO 867 N 2.11 3.35 0.00 4.11 0.04 -1.26 -4.75 135.00 138.60 3ho8 s PRO 867 Ca 0.57 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3ho8 s PRO 867 Cb -0.26 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3ho8 s PRO 867 CO 0.23 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3ho8 n GLY 868 N 0.36 0.00 0.00 0.56 0.00 -1.22 -2.74 105.19 102.15 3ho8 n GLY 868 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ho8 n GLY 868 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ho8 n GLY 869 N 0.00 -1.08 0.04 -0.02 0.00 -1.26 -4.35 105.19 98.52 3ho8 n GLY 869 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ho8 n GLY 869 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ho8 n GLN 870 N -0.01 0.00 0.00 1.61 1.13 -1.11 0.17 117.38 119.17 3ho8 n GLN 870 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 3ho8 n GLN 870 Cb 0.00 0.00 0.28 0.00 0.11 0.00 0.00 30.24 30.63 3ho8 n GLN 870 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 3ho8 n TYR 871 N 0.00 0.00 0.00 1.08 0.18 -1.26 -0.73 117.16 116.43 3ho8 n TYR 871 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3ho8 n TYR 871 Cb 0.00 -0.43 0.00 0.00 -0.38 0.00 0.00 39.34 38.53 3ho8 n TYR 871 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3ho8 n SER 872 N -1.43 0.00 -0.32 9.48 2.88 0.13 -3.66 113.62 120.70 3ho8 n SER 872 Ca 0.04 0.36 0.19 0.00 -1.33 0.00 0.00 58.87 58.13 3ho8 n SER 872 Cb 0.13 -0.45 0.38 0.00 -0.75 0.00 0.00 64.21 63.52 3ho8 n SER 872 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3ho8 h ASN 873 N 0.00 0.00 -0.52 -3.46 2.35 -1.75 0.49 115.58 112.70 3ho8 h ASN 873 Ca 0.00 0.24 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 3ho8 h ASN 873 Cb 0.00 0.31 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3ho8 h ASN 873 CO 0.00 -0.28 0.20 0.25 -1.65 0.00 0.00 177.43 175.95 3ho8 h LEU 874 N 0.12 0.22 -0.69 1.61 5.85 -1.13 0.28 115.31 121.58 3ho8 h LEU 874 Ca 0.66 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 59.30 3ho8 h LEU 874 Cb 1.49 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 3ho8 h LEU 874 CO -0.75 0.16 -0.41 -1.28 -0.34 0.00 0.00 178.44 175.81 3ho8 h SER 875 N 0.39 0.57 -0.24 1.25 0.87 -0.12 1.81 113.55 118.08 3ho8 h SER 875 Ca 0.25 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3ho8 h SER 875 Cb 0.25 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3ho8 h SER 875 CO -0.24 0.92 -0.07 1.56 -0.53 0.00 0.00 176.83 178.47 3ho8 h GLN 876 N 0.44 0.60 0.01 2.24 4.20 -0.90 -1.26 115.11 120.43 3ho8 h GLN 876 Ca 0.04 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 3ho8 h GLN 876 Cb 0.91 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3ho8 h GLN 876 CO 0.08 0.67 -0.16 0.37 -0.67 0.00 0.00 178.83 179.12 3ho8 h GLN 877 N 0.56 0.09 -0.26 1.46 4.15 0.33 -2.12 115.11 119.31 3ho8 h GLN 877 Ca 0.11 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3ho8 h GLN 877 Cb 0.46 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 3ho8 h GLN 877 CO 0.02 0.93 -0.40 0.00 -1.93 0.00 0.00 178.83 177.45 3ho8 h ALA 878 N 0.16 -0.46 -0.21 3.38 0.00 0.28 0.18 119.26 122.58 3ho8 h ALA 878 Ca -0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ho8 h ALA 878 Cb 1.00 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3ho8 h ALA 878 CO 0.03 -0.87 0.16 0.87 0.00 0.00 0.00 179.25 179.44 3ho8 h LYS 879 N -0.39 0.00 -0.08 0.00 1.57 -1.31 0.16 116.57 116.51 3ho8 h LYS 879 Ca 0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 3ho8 h LYS 879 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.92 3ho8 h LYS 879 CO -0.48 0.00 -0.90 1.03 -0.57 0.00 0.00 179.45 178.53 3ho8 h SER 880 N 0.00 0.93 -0.23 0.86 0.87 -0.27 -3.10 113.55 112.60 3ho8 h SER 880 Ca 0.10 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3ho8 h SER 880 Cb 0.42 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3ho8 h SER 880 CO -0.00 1.48 0.00 0.18 -0.53 0.00 0.00 176.83 177.95 3ho8 n LEU 881 N -3.91 2.32 -0.60 2.23 4.77 0.42 -4.88 117.00 117.35 3ho8 n LEU 881 Ca -0.09 -1.17 -0.05 0.00 -0.03 0.00 0.00 56.01 54.66 3ho8 n LEU 881 Cb 0.81 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3ho8 n LEU 881 CO 0.54 0.38 -0.07 0.61 -1.33 0.00 0.00 177.39 177.53 3ho8 n GLY 882 N 0.47 0.21 0.93 -0.72 0.00 -1.01 -4.94 105.19 100.13 3ho8 n GLY 882 Ca 0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 3ho8 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ho8 n LEU 883 N -0.77 3.17 -0.09 0.99 4.77 0.51 -4.84 117.00 120.74 3ho8 n LEU 883 Ca -0.06 -4.07 -0.07 0.00 -0.03 0.00 0.00 56.01 51.78 3ho8 n LEU 883 Cb 0.51 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ho8 n LEU 883 CO 0.08 1.55 0.90 1.23 -1.33 0.00 0.00 177.39 179.81 3ho8 h GLY 884 N 1.26 0.36 1.86 -0.72 0.00 -1.81 -2.70 103.07 101.32 3ho8 h GLY 884 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ho8 h GLY 884 CO 0.17 -0.01 -0.10 1.18 0.00 0.00 0.00 176.54 177.77 3ho8 n GLU 885 N -5.09 0.23 -0.47 4.80 4.71 -1.26 -3.50 120.64 120.07 3ho8 n GLU 885 Ca 0.00 0.17 0.10 0.00 -0.01 0.00 0.00 57.16 57.42 3ho8 n GLU 885 Cb 0.14 -1.75 0.33 0.00 -1.01 0.00 0.00 31.44 29.15 3ho8 n GLU 885 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3ho8 n ARG 886 N -2.14 3.09 0.15 3.49 1.74 -1.03 -4.62 116.66 117.34 3ho8 n ARG 886 Ca 0.05 -2.64 0.19 0.00 -0.77 0.00 0.00 57.85 54.68 3ho8 n ARG 886 Cb 0.42 -1.70 0.79 0.00 -1.02 0.00 0.00 32.46 30.95 3ho8 n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ho8 h PHE 887 N 4.05 0.00 -0.47 -1.55 3.57 -1.57 0.15 116.94 121.13 3ho8 h PHE 887 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3ho8 h PHE 887 Cb 1.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3ho8 h PHE 887 CO 0.60 0.00 0.11 -0.44 -2.23 0.00 0.00 178.31 176.35 3ho8 h ASP 888 N 0.00 0.66 0.46 0.41 3.32 -1.90 -0.03 116.42 119.34 3ho8 h ASP 888 Ca 0.14 -0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 3ho8 h ASP 888 Cb 0.77 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3ho8 h ASP 888 CO -0.00 0.65 -0.88 -0.33 -1.72 0.00 0.00 179.24 176.97 3ho8 h GLU 889 N 0.69 0.29 0.34 3.56 5.08 -1.07 -2.27 114.58 121.19 3ho8 h GLU 889 Ca 0.15 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3ho8 h GLU 889 Cb 0.26 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ho8 h GLU 889 CO -0.00 1.00 -0.16 0.28 -1.00 0.00 0.00 179.01 179.12 3ho8 h VAL 890 N 0.17 0.67 -0.75 3.13 2.07 -1.14 0.10 116.25 120.50 3ho8 h VAL 890 Ca -0.05 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3ho8 h VAL 890 Cb 1.50 0.68 -0.12 0.00 -1.52 0.00 0.00 31.29 31.83 3ho8 h VAL 890 CO 0.14 0.01 -0.49 0.11 0.02 0.00 0.00 177.57 177.36 3ho8 h LYS 891 N -0.47 -0.14 -0.35 1.57 1.57 -1.07 -0.48 116.57 117.19 3ho8 h LYS 891 Ca -0.05 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3ho8 h LYS 891 Cb 0.36 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 3ho8 h LYS 891 CO 0.08 -0.10 0.00 0.22 -0.57 0.00 0.00 179.45 179.08 3ho8 h ASP 892 N -0.15 -0.14 0.49 0.86 3.58 -0.95 0.19 116.42 120.31 3ho8 h ASP 892 Ca 0.19 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 3ho8 h ASP 892 Cb 0.53 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 3ho8 h ASP 892 CO -0.80 -0.03 -0.10 -0.03 -2.88 0.00 0.00 179.24 175.40 3ho8 h MET 893 N 0.10 0.00 0.49 0.28 4.05 -0.40 -2.22 114.93 117.24 3ho8 h MET 893 Ca 0.17 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3ho8 h MET 893 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3ho8 h MET 893 CO -0.28 0.10 -0.24 -0.92 0.23 0.00 0.00 176.91 175.80 3ho8 h TYR 894 N 0.00 -0.62 -0.91 1.39 3.20 0.11 0.17 116.97 120.31 3ho8 h TYR 894 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3ho8 h TYR 894 Cb 0.37 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3ho8 h TYR 894 CO 0.00 -0.33 0.59 -0.09 -1.64 0.00 0.00 178.16 176.69 3ho8 h ARG 895 N -0.79 0.99 0.57 1.82 2.43 -1.22 -2.32 114.38 115.86 3ho8 h ARG 895 Ca -0.07 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3ho8 h ARG 895 Cb 0.56 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ho8 h ARG 895 CO 0.11 0.66 -0.28 0.00 -1.51 0.00 0.00 179.97 178.95 3ho8 h ARG 896 N 1.02 -0.74 -1.01 0.20 3.08 -1.20 -3.03 114.38 112.70 3ho8 h ARG 896 Ca 0.40 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.76 3ho8 h ARG 896 Cb 0.22 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.32 3ho8 h ARG 896 CO -0.15 -0.43 0.60 0.28 -1.07 0.00 0.00 179.97 179.19 3ho8 h VAL 897 N -1.00 0.50 -0.26 2.04 2.07 -0.53 0.12 116.25 119.20 3ho8 h VAL 897 Ca -0.08 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3ho8 h VAL 897 Cb 0.65 -0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3ho8 h VAL 897 CO 0.13 0.10 -0.33 -1.13 0.02 0.00 0.00 177.57 176.36 3ho8 h ASN 898 N 0.53 -1.06 0.61 0.57 -0.73 -1.30 0.19 115.58 114.39 3ho8 h ASN 898 Ca 0.66 0.17 -0.11 0.00 1.87 0.00 0.00 56.30 58.88 3ho8 h ASN 898 Cb 1.32 0.47 -0.02 0.00 0.27 0.00 0.00 38.32 40.36 3ho8 h ASN 898 CO -0.48 -0.34 -0.53 -0.26 -0.37 0.00 0.00 177.43 175.45 3ho8 h PHE 899 N -0.33 0.00 -0.37 0.67 0.05 -0.99 0.43 116.94 116.40 3ho8 h PHE 899 Ca 0.13 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.86 3ho8 h PHE 899 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.48 3ho8 h PHE 899 CO -0.47 0.53 -0.02 1.25 -0.18 0.00 0.00 178.31 179.41 3ho8 h LEU 900 N 0.00 0.56 -0.78 1.54 5.85 -0.26 -2.01 115.31 120.22 3ho8 h LEU 900 Ca -0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ho8 h LEU 900 Cb 0.98 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3ho8 h LEU 900 CO 0.07 0.64 0.00 0.49 -0.34 0.00 0.00 178.44 179.30 3ho8 n PHE 901 N -4.25 0.15 -0.47 1.25 3.01 0.61 -4.88 117.46 112.88 3ho8 n PHE 901 Ca 0.02 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3ho8 n PHE 901 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3ho8 n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ho8 n GLY 902 N 1.02 0.71 2.38 1.37 0.00 -0.75 -4.64 105.19 105.27 3ho8 n GLY 902 Ca 0.15 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ho8 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ho8 n ASP 903 N 0.92 -6.35 -4.61 1.61 4.64 0.15 -4.79 116.55 108.13 3ho8 n ASP 903 Ca 0.00 1.01 -0.28 0.00 -1.38 0.00 0.00 54.79 54.15 3ho8 n ASP 903 Cb 0.00 -4.13 -0.09 0.00 -1.04 0.00 0.00 41.12 35.86 3ho8 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3ho8 s ILE 904 N -1.21 3.44 0.26 5.18 -4.36 -1.26 -4.84 121.20 118.41 3ho8 s ILE 904 Ca 0.01 -1.45 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 3ho8 s ILE 904 Cb -0.00 -2.68 -0.10 0.00 1.25 0.00 0.00 42.46 40.92 3ho8 s ILE 904 CO 0.57 -0.04 1.49 -0.69 0.24 0.00 0.00 174.94 176.51 3ho8 s VAL 905 N -1.56 2.45 -0.68 8.37 1.01 -1.26 -4.96 120.40 123.77 3ho8 s VAL 905 Ca 0.25 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.65 3ho8 s VAL 905 Cb -0.10 -3.24 0.29 0.00 0.00 0.00 0.00 36.38 33.33 3ho8 s VAL 905 CO 0.16 0.06 0.94 0.29 0.00 0.00 0.00 175.10 176.55 3ho8 n LYS 906 N 2.29 3.10 -1.66 2.72 5.02 -1.26 -4.77 118.16 123.59 3ho8 n LYS 906 Ca 0.07 -4.73 -0.06 0.00 -2.02 0.00 0.00 58.31 51.57 3ho8 n LYS 906 Cb 0.39 -2.29 0.02 0.00 -0.02 0.00 0.00 35.03 33.14 3ho8 n LYS 906 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ho8 n VAL 907 N 0.48 0.00 -3.11 -0.18 0.24 -1.26 -4.44 118.33 110.07 3ho8 n VAL 907 Ca 0.31 -0.64 -0.32 0.00 -2.04 0.00 0.00 64.34 61.64 3ho8 n VAL 907 Cb 0.39 -0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 31.86 3ho8 n VAL 907 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3ho8 s THR 908 N -0.19 4.66 -1.53 3.34 -1.32 -1.26 0.43 115.64 119.76 3ho8 s THR 908 Ca 0.20 0.97 0.05 0.00 -1.21 0.00 0.00 61.69 61.71 3ho8 s THR 908 Cb -0.02 -3.61 0.19 0.00 -1.51 0.00 0.00 72.50 67.56 3ho8 s THR 908 CO 0.13 -0.21 1.03 -0.81 -2.21 0.00 0.00 174.62 172.55 3ho8 n PRO 909 N -0.42 1.69 0.00 7.08 -0.04 -1.26 -4.57 135.00 137.48 3ho8 n PRO 909 Ca 0.04 -0.77 0.13 0.00 -0.04 0.00 0.00 63.50 62.85 3ho8 n PRO 909 Cb 0.53 -1.37 0.39 0.00 -0.04 0.00 0.00 33.50 33.01 3ho8 n PRO 909 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ho8 n SER 910 N 0.12 0.34 0.06 3.54 3.41 -0.02 -3.38 113.62 117.69 3ho8 n SER 910 Ca 0.07 -0.03 -0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3ho8 n SER 910 Cb 0.30 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 3ho8 n SER 910 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ho8 h SER 911 N 0.05 0.00 0.16 4.04 4.64 -0.27 -3.05 113.55 119.12 3ho8 h SER 911 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3ho8 h SER 911 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3ho8 h SER 911 CO 0.00 0.62 -0.63 0.50 -0.87 0.00 0.00 176.83 176.45 3ho8 h LYS 912 N 0.00 0.45 0.70 4.77 3.64 -1.81 0.24 116.57 124.56 3ho8 h LYS 912 Ca -0.11 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 3ho8 h LYS 912 Cb 1.57 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 3ho8 h LYS 912 CO 0.06 0.94 -0.49 0.28 -2.27 0.00 0.00 179.45 177.97 3ho8 h VAL 913 N 0.33 0.00 -0.38 2.00 2.07 -1.59 0.84 116.25 119.51 3ho8 h VAL 913 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3ho8 h VAL 913 Cb 1.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3ho8 h VAL 913 CO 0.11 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.45 3ho8 h VAL 914 N -1.14 1.14 0.15 2.57 2.07 -1.54 -1.52 116.25 117.98 3ho8 h VAL 914 Ca -0.09 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ho8 h VAL 914 Cb 0.93 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3ho8 h VAL 914 CO 0.06 0.16 -0.44 1.23 0.02 0.00 0.00 177.57 178.60 3ho8 h GLY 915 N 0.66 -0.92 1.09 2.17 0.00 -0.11 -3.00 103.07 102.95 3ho8 h GLY 915 Ca 0.13 0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.96 3ho8 h GLY 915 CO -0.02 -0.28 0.35 -0.55 0.00 0.00 0.00 176.54 176.05 3ho8 h ASP 916 N -0.70 1.07 0.27 0.19 3.45 0.17 -2.05 116.42 118.82 3ho8 h ASP 916 Ca 0.01 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 3ho8 h ASP 916 Cb 0.71 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3ho8 h ASP 916 CO -0.23 0.92 -0.13 0.24 -1.57 0.00 0.00 179.24 178.46 3ho8 h MET 917 N 1.15 -0.35 -0.09 3.56 2.86 -1.42 0.35 114.93 120.98 3ho8 h MET 917 Ca 0.27 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 3ho8 h MET 917 Cb 0.16 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3ho8 h MET 917 CO -0.03 -0.16 -0.23 0.00 1.06 0.00 0.00 176.91 177.55 3ho8 h ALA 918 N 0.22 -0.24 -0.75 6.32 0.00 -1.41 1.14 119.26 124.55 3ho8 h ALA 918 Ca -0.04 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ho8 h ALA 918 Cb 0.36 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 3ho8 h ALA 918 CO 0.06 -0.71 0.28 1.25 0.00 0.00 0.00 179.25 180.14 3ho8 h LEU 919 N -0.32 0.24 -0.38 0.00 5.85 -1.26 0.13 115.31 119.57 3ho8 h LEU 919 Ca 0.09 0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 3ho8 h LEU 919 Cb 0.45 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3ho8 h LEU 919 CO -0.27 0.08 -0.78 0.22 -0.34 0.00 0.00 178.44 177.34 3ho8 h TYR 920 N 0.41 0.42 0.03 1.25 3.20 0.12 -2.58 116.97 119.83 3ho8 h TYR 920 Ca 0.41 -0.20 -0.24 0.00 3.14 0.00 0.00 58.73 61.84 3ho8 h TYR 920 Cb 0.64 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.86 3ho8 h TYR 920 CO -0.18 0.97 -1.02 1.98 -1.64 0.00 0.00 178.16 178.26 3ho8 h MET 921 N 0.19 0.43 -0.06 1.82 4.05 0.19 -1.68 114.93 119.86 3ho8 h MET 921 Ca -0.04 -0.50 -0.16 0.00 -0.28 0.00 0.00 59.70 58.72 3ho8 h MET 921 Cb 1.37 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 3ho8 h MET 921 CO 0.13 1.16 -0.68 0.28 0.23 0.00 0.00 176.91 178.03 3ho8 h VAL 922 N 0.22 1.40 -0.49 -5.77 2.07 -0.86 0.35 116.25 113.18 3ho8 h VAL 922 Ca -0.10 -2.13 -0.07 0.00 0.82 0.00 0.00 66.70 65.22 3ho8 h VAL 922 Cb 1.68 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 3ho8 h VAL 922 CO 0.18 0.63 0.02 -0.61 0.02 0.00 0.00 177.57 177.81 3ho8 h GLN 923 N 0.20 0.85 -0.61 1.57 4.15 -1.36 -3.10 115.11 116.80 3ho8 h GLN 923 Ca -0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 3ho8 h GLN 923 Cb 1.22 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 3ho8 h GLN 923 CO 0.11 0.87 0.03 0.09 -1.93 0.00 0.00 178.83 178.00 3ho8 n ASN 924 N -4.36 5.54 -3.98 -0.69 4.13 -0.64 -4.95 115.26 110.31 3ho8 n ASN 924 Ca 0.01 -2.94 -0.29 0.00 1.68 0.00 0.00 54.58 53.04 3ho8 n ASN 924 Cb 0.30 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 3ho8 n ASN 924 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3ho8 n ASP 925 N 0.53 -2.78 -4.88 6.41 10.43 -0.98 -4.95 116.55 120.33 3ho8 n ASP 925 Ca 0.28 -0.90 -0.34 0.00 2.57 0.00 0.00 54.79 56.40 3ho8 n ASP 925 Cb 1.20 -3.41 -0.05 0.00 1.84 0.00 0.00 41.12 40.70 3ho8 n ASP 925 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3ho8 s LEU 926 N -7.11 4.35 0.00 0.64 1.43 0.12 -5.02 118.68 113.09 3ho8 s LEU 926 Ca 0.43 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3ho8 s LEU 926 Cb -0.22 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.21 3ho8 s LEU 926 CO 0.87 0.21 0.40 0.47 0.23 0.00 0.00 176.35 178.52 3ho8 n ASP 927 N 0.93 0.62 -0.07 2.29 9.92 -1.26 -4.73 116.55 124.25 3ho8 n ASP 927 Ca -0.09 -1.50 -0.15 0.00 -0.53 0.00 0.00 54.79 52.52 3ho8 n ASP 927 Cb 0.52 -0.25 -0.05 0.00 -0.64 0.00 0.00 41.12 40.70 3ho8 n ASP 927 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3ho8 h GLU 928 N 0.00 0.80 0.00 -1.24 4.57 -2.01 -3.28 114.58 113.42 3ho8 h GLU 928 Ca -0.13 -0.52 -0.26 0.00 -1.18 0.00 0.00 59.36 57.27 3ho8 h GLU 928 Cb 0.51 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 3ho8 h GLU 928 CO 0.15 1.15 -1.57 1.96 -1.18 0.00 0.00 179.01 179.51 3ho8 h GLN 929 N 0.56 0.00 -0.01 1.92 7.50 -2.02 -3.37 115.11 119.69 3ho8 h GLN 929 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3ho8 h GLN 929 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.65 3ho8 h GLN 929 CO 0.11 0.50 -0.06 -1.13 -1.50 0.00 0.00 178.83 176.75 3ho8 n SER 930 N -3.05 0.86 0.00 1.46 3.41 -1.26 -2.29 113.62 112.76 3ho8 n SER 930 Ca -0.14 -1.07 -0.07 0.00 -0.26 0.00 0.00 58.87 57.33 3ho8 n SER 930 Cb 1.00 -0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.06 3ho8 n SER 930 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ho8 h VAL 931 N 1.26 1.30 0.08 -3.33 2.07 -1.71 -1.39 116.25 114.53 3ho8 h VAL 931 Ca 0.00 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 3ho8 h VAL 931 Cb 0.36 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3ho8 h VAL 931 CO 0.00 0.50 -0.04 0.40 0.02 0.00 0.00 177.57 178.45 3ho8 h ILE 932 N 0.44 0.00 -0.79 4.57 2.04 -1.74 -3.00 117.51 119.02 3ho8 h ILE 932 Ca 0.04 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.23 3ho8 h ILE 932 Cb 0.91 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 3ho8 h ILE 932 CO 0.08 0.00 -0.47 0.41 0.00 0.00 0.00 178.15 178.17 3ho8 n THR 933 N -4.35 -0.54 1.45 -0.27 -1.04 -0.97 -1.59 114.28 106.97 3ho8 n THR 933 Ca -0.01 2.03 0.14 0.00 -2.04 0.00 0.00 64.05 64.17 3ho8 n THR 933 Cb 0.04 -2.52 0.58 0.00 -1.82 0.00 0.00 70.33 66.62 3ho8 n THR 933 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ho8 n ASP 934 N -4.90 0.71 -0.19 8.00 8.00 -0.52 -4.58 116.55 123.07 3ho8 n ASP 934 Ca 0.02 -0.83 -0.05 0.00 0.71 0.00 0.00 54.79 54.63 3ho8 n ASP 934 Cb 0.21 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.31 3ho8 n ASP 934 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ho8 h GLY 935 N 4.94 -0.05 1.40 0.44 0.00 -1.14 -2.93 103.07 105.73 3ho8 h GLY 935 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3ho8 h GLY 935 CO 0.00 -0.21 0.22 -1.72 0.00 0.00 0.00 176.54 174.83 3ho8 n TYR 936 N -5.43 0.49 -0.01 5.60 4.02 -1.26 0.01 117.16 120.58 3ho8 n TYR 936 Ca 0.04 0.26 0.10 0.00 -0.01 0.00 0.00 57.90 58.29 3ho8 n TYR 936 Cb 0.35 -0.76 -0.15 0.00 -0.02 0.00 0.00 39.34 38.76 3ho8 n TYR 936 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3ho8 n LYS 937 N -2.07 0.58 -0.07 -0.72 2.85 -1.11 -4.84 118.16 112.78 3ho8 n LYS 937 Ca -0.01 -0.17 -0.14 0.00 -1.05 0.00 0.00 58.31 56.93 3ho8 n LYS 937 Cb 0.24 -1.45 -0.05 0.00 -0.65 0.00 0.00 35.03 33.11 3ho8 n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3ho8 h LEU 938 N 0.00 0.74 -2.19 -5.58 3.38 -0.50 -3.49 115.31 107.67 3ho8 h LEU 938 Ca -0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 3ho8 h LEU 938 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ho8 h LEU 938 CO 0.00 1.13 -0.99 -0.67 0.09 0.00 0.00 178.44 178.00 3ho8 n ASP 939 N -4.22 -8.00 -4.83 -0.43 4.64 -1.26 -5.00 116.55 97.44 3ho8 n ASP 939 Ca -0.05 1.38 -0.29 0.00 -1.38 0.00 0.00 54.79 54.45 3ho8 n ASP 939 Cb 0.53 -5.22 0.10 0.00 -1.04 0.00 0.00 41.12 35.49 3ho8 n ASP 939 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3ho8 s PHE 940 N -1.64 2.82 0.31 -0.67 0.40 -1.26 -4.97 117.98 112.96 3ho8 s PHE 940 Ca 0.01 0.67 -0.29 0.00 -0.60 0.00 0.00 56.93 56.72 3ho8 s PHE 940 Cb -0.00 -3.52 -0.11 0.00 0.51 0.00 0.00 43.02 39.90 3ho8 s PHE 940 CO 0.76 -1.82 1.45 -2.14 0.70 0.00 0.00 175.22 174.17 3ho8 s PRO 941 N -5.57 4.22 0.27 0.24 0.02 -1.26 -4.78 135.00 128.15 3ho8 s PRO 941 Ca 0.63 2.40 -0.07 0.00 0.02 0.00 0.00 61.00 63.97 3ho8 s PRO 941 Cb -0.10 -3.05 0.48 0.00 0.02 0.00 0.00 34.50 31.84 3ho8 s PRO 941 CO 0.49 -0.43 1.57 0.93 -0.33 0.00 0.00 177.00 179.23 3ho8 h GLU 942 N 4.15 0.01 -0.89 5.54 4.39 -1.99 0.44 114.58 126.23 3ho8 h GLU 942 Ca -0.48 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.31 3ho8 h GLU 942 Cb 1.22 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3ho8 h GLU 942 CO 0.72 0.00 0.54 0.66 -1.16 0.00 0.00 179.01 179.78 3ho8 h SER 943 N 0.01 0.82 0.56 1.42 4.64 -1.97 0.39 113.55 119.42 3ho8 h SER 943 Ca 0.47 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.80 3ho8 h SER 943 Cb 0.78 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3ho8 h SER 943 CO -0.94 0.49 -0.27 0.58 -0.87 0.00 0.00 176.83 175.81 3ho8 h VAL 944 N 0.93 0.00 -0.91 0.95 2.07 -1.24 -2.30 116.25 115.76 3ho8 h VAL 944 Ca 0.41 -0.21 0.25 0.00 0.82 0.00 0.00 66.70 67.97 3ho8 h VAL 944 Cb 0.30 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 3ho8 h VAL 944 CO -0.22 0.00 0.37 1.62 0.02 0.00 0.00 177.57 179.36 3ho8 h VAL 945 N -0.96 0.38 -0.56 2.57 3.04 -1.01 0.20 116.25 119.91 3ho8 h VAL 945 Ca -0.08 -0.11 0.05 0.00 -1.01 0.00 0.00 66.70 65.56 3ho8 h VAL 945 Cb 0.58 0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 3ho8 h VAL 945 CO 0.13 0.06 0.28 -1.28 -1.01 0.00 0.00 177.57 175.74 3ho8 h SER 946 N 0.31 0.40 -0.57 3.17 0.87 -0.21 -2.10 113.55 115.42 3ho8 h SER 946 Ca 0.59 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 61.25 3ho8 h SER 946 Cb 1.20 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 3ho8 h SER 946 CO -0.59 0.27 0.28 0.15 -0.53 0.00 0.00 176.83 176.40 3ho8 h PHE 947 N 0.53 0.50 0.00 2.24 3.04 -0.01 -1.89 116.94 121.35 3ho8 h PHE 947 Ca 0.25 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.22 3ho8 h PHE 947 Cb 0.17 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3ho8 h PHE 947 CO -0.10 0.22 0.00 1.19 -2.02 0.00 0.00 178.31 177.59 3ho8 n PHE 948 N -4.89 0.77 0.69 0.41 3.01 -0.94 -1.44 117.46 115.08 3ho8 n PHE 948 Ca 0.06 0.27 0.12 0.00 1.01 0.00 0.00 57.45 58.92 3ho8 n PHE 948 Cb 0.18 -0.94 0.47 0.00 -0.01 0.00 0.00 39.48 39.19 3ho8 n PHE 948 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3ho8 n LYS 949 N -2.17 0.14 -1.76 -1.08 5.02 -0.72 -4.81 118.16 112.77 3ho8 n LYS 949 Ca 0.04 0.19 -0.03 0.00 -2.02 0.00 0.00 58.31 56.48 3ho8 n LYS 949 Cb 0.31 -1.68 -0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3ho8 n LYS 949 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ho8 n GLY 950 N 0.98 0.36 0.00 0.72 0.00 -0.52 0.70 105.19 107.43 3ho8 n GLY 950 Ca 0.05 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.38 3ho8 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ho8 n GLU 951 N -1.78 0.56 -0.05 1.61 1.02 -1.13 -2.11 120.64 118.75 3ho8 n GLU 951 Ca -0.03 0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 3ho8 n GLU 951 Cb 0.40 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 3ho8 n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ho8 n ILE 952 N -1.14 0.81 0.00 -3.67 5.41 -1.26 -4.90 119.36 114.60 3ho8 n ILE 952 Ca 0.15 -0.87 0.00 0.00 1.00 0.00 0.00 62.75 63.03 3ho8 n ILE 952 Cb 0.14 0.51 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 3ho8 n ILE 952 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ho8 n GLY 953 N -0.48 -1.60 3.15 7.39 0.00 -0.90 -4.74 105.19 108.01 3ho8 n GLY 953 Ca 0.03 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 3ho8 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ho8 s GLN 954 N 0.00 3.03 0.63 1.61 -1.52 -1.26 -4.48 119.66 117.66 3ho8 s GLN 954 Ca 0.00 -0.82 -0.17 0.00 -1.95 0.00 0.00 55.36 52.42 3ho8 s GLN 954 Cb 0.00 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 3ho8 s GLN 954 CO 0.00 -0.17 1.17 -1.25 -0.25 0.00 0.00 175.29 174.79 3ho8 s PRO 955 N 1.21 2.81 0.41 2.91 0.04 -1.26 -4.70 135.00 136.42 3ho8 s PRO 955 Ca 0.03 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.90 3ho8 s PRO 955 Cb -0.14 -1.92 1.00 0.00 0.04 0.00 0.00 34.50 33.48 3ho8 s PRO 955 CO -0.10 -1.30 1.92 0.28 0.04 0.00 0.00 177.00 177.84 3ho8 h VAL 956 N 0.50 0.82 0.02 -0.36 2.07 -1.91 -2.93 116.25 114.46 3ho8 h VAL 956 Ca -0.49 -0.16 -0.20 0.00 0.82 0.00 0.00 66.70 66.67 3ho8 h VAL 956 Cb 1.28 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3ho8 h VAL 956 CO 0.54 0.09 -1.10 0.78 0.02 0.00 0.00 177.57 177.90 3ho8 h ASN 957 N 0.47 0.07 -4.20 0.57 4.21 -1.88 -3.52 115.58 111.30 3ho8 h ASN 957 Ca 0.37 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 57.23 3ho8 h ASN 957 Cb 0.79 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 3ho8 h ASN 957 CO -0.13 1.44 0.00 0.61 -1.29 0.00 0.00 177.43 178.06 3ho8 n GLY 958 N 1.53 0.92 3.64 2.83 0.00 -1.11 -5.08 105.19 107.92 3ho8 n GLY 958 Ca -0.27 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 3ho8 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ho8 s PHE 959 N -1.29 3.24 -0.04 1.61 0.40 -1.26 -4.82 117.98 115.81 3ho8 s PHE 959 Ca 0.00 0.07 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 3ho8 s PHE 959 Cb 0.00 -2.04 -0.06 0.00 0.51 0.00 0.00 43.02 41.43 3ho8 s PHE 959 CO 0.00 0.19 1.72 1.21 0.70 0.00 0.00 175.22 179.05 3ho8 s ASN 960 N 0.19 6.60 0.31 1.36 2.47 -1.26 -4.89 114.94 119.72 3ho8 s ASN 960 Ca 0.04 2.30 0.01 0.00 0.42 0.00 0.00 52.86 55.63 3ho8 s ASN 960 Cb -0.12 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.68 3ho8 s ASN 960 CO 0.01 -0.97 1.94 0.11 -3.72 0.00 0.00 177.10 174.47 3ho8 h LYS 961 N 9.85 0.98 0.76 0.43 1.57 -1.99 -0.72 116.57 127.44 3ho8 h LYS 961 Ca -0.41 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 3ho8 h LYS 961 Cb 1.19 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.28 3ho8 h LYS 961 CO 0.95 0.65 -0.38 -0.44 -0.57 0.00 0.00 179.45 179.67 3ho8 h ASP 962 N 1.01 -0.90 -0.67 0.86 3.45 -2.00 -2.67 116.42 115.49 3ho8 h ASP 962 Ca 0.34 0.03 0.13 0.00 0.43 0.00 0.00 57.03 57.96 3ho8 h ASP 962 Cb 0.08 0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 3ho8 h ASP 962 CO -0.11 -0.63 0.45 0.25 -1.57 0.00 0.00 179.24 177.64 3ho8 h LEU 963 N -1.03 0.35 0.04 1.55 5.85 -1.83 -1.73 115.31 118.51 3ho8 h LEU 963 Ca -0.10 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ho8 h LEU 963 Cb 0.80 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ho8 h LEU 963 CO 0.16 0.19 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.83 3ho8 h GLN 964 N 0.38 -0.05 -0.51 1.25 4.15 -1.19 -3.04 115.11 116.10 3ho8 h GLN 964 Ca 0.32 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.85 3ho8 h GLN 964 Cb 0.74 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.34 3ho8 h GLN 964 CO -0.09 0.40 -0.13 0.00 -1.93 0.00 0.00 178.83 177.08 3ho8 h ALA 965 N 0.40 0.34 -0.35 3.38 0.00 -0.96 -0.58 119.26 121.49 3ho8 h ALA 965 Ca -0.01 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ho8 h ALA 965 Cb 0.48 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ho8 h ALA 965 CO 0.01 -0.44 -0.14 -0.39 0.00 0.00 0.00 179.25 178.29 3ho8 h VAL 966 N 0.00 1.25 0.01 0.00 -1.51 -1.54 -1.72 116.25 112.75 3ho8 h VAL 966 Ca 0.25 -1.13 -0.13 0.00 -1.23 0.00 0.00 66.70 64.45 3ho8 h VAL 966 Cb 0.37 1.13 0.01 0.00 -2.13 0.00 0.00 31.29 30.67 3ho8 h VAL 966 CO -0.53 0.38 -0.52 0.40 -1.23 0.00 0.00 177.57 176.07 3ho8 h ILE 967 N 0.57 1.47 -0.29 7.19 2.04 -1.32 -3.34 117.51 123.84 3ho8 h ILE 967 Ca 0.10 -2.09 -0.12 0.00 1.00 0.00 0.00 64.86 63.75 3ho8 h ILE 967 Cb 0.57 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3ho8 h ILE 967 CO 0.04 0.60 -0.33 -0.07 0.00 0.00 0.00 178.15 178.38 3ho8 h LEU 968 N -0.24 0.65 -3.40 1.44 3.38 -1.08 -3.45 115.31 112.61 3ho8 h LEU 968 Ca -0.07 -0.26 -0.39 0.00 0.09 0.00 0.00 57.88 57.25 3ho8 h LEU 968 Cb 1.26 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.84 3ho8 h LEU 968 CO 0.10 0.93 -0.83 0.29 0.09 0.00 0.00 178.44 179.02 3ho8 n LYS 969 N -4.07 -1.32 0.00 1.13 5.02 -0.65 -2.65 118.16 115.62 3ho8 n LYS 969 Ca -0.01 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3ho8 n LYS 969 Cb 0.48 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 3ho8 n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ho8 n GLY 970 N -1.73 2.68 3.47 0.72 0.00 -1.26 -5.02 105.19 104.05 3ho8 n GLY 970 Ca -0.20 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3ho8 n GLY 970 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ho8 n GLN 971 N 0.00 0.59 -2.38 1.61 1.13 -1.08 -4.92 117.38 112.33 3ho8 n GLN 971 Ca 0.00 0.22 -0.43 0.00 -1.94 0.00 0.00 57.00 54.86 3ho8 n GLN 971 Cb 0.00 -1.67 -0.02 0.00 0.11 0.00 0.00 30.24 28.66 3ho8 n GLN 971 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3ho8 s GLU 972 N -1.93 4.26 0.04 -1.09 0.41 -1.26 -4.99 118.70 114.14 3ho8 s GLU 972 Ca 0.67 1.73 -0.12 0.00 -0.41 0.00 0.00 54.97 56.85 3ho8 s GLU 972 Cb -0.49 -3.72 -0.06 0.00 -1.78 0.00 0.00 34.13 28.08 3ho8 s GLU 972 CO 0.56 -0.65 0.39 0.00 -0.49 0.00 0.00 175.26 175.07 3ho8 s ALA 973 N 3.17 3.72 0.18 5.21 0.00 -1.26 -4.90 121.76 127.88 3ho8 s ALA 973 Ca 0.57 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3ho8 s ALA 973 Cb -0.24 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 3ho8 s ALA 973 CO 0.18 0.53 0.90 -0.51 0.00 0.00 0.00 175.76 176.87 3ho8 s LEU 974 N -1.54 4.59 -0.03 0.00 1.43 0.22 -5.01 118.68 118.35 3ho8 s LEU 974 Ca 0.28 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 3ho8 s LEU 974 Cb -0.15 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3ho8 s LEU 974 CO 0.15 0.11 -0.00 0.74 0.23 0.00 0.00 176.35 177.59 3ho8 h THR 975 N 3.44 0.00 -2.98 5.49 2.02 -1.94 -3.43 112.91 115.51 3ho8 h THR 975 Ca -0.45 -0.25 -0.46 0.00 0.77 0.00 0.00 66.41 66.02 3ho8 h THR 975 Cb 1.20 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3ho8 h THR 975 CO 0.69 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 176.57 3ho8 s ALA 976 N -2.89 3.64 0.16 6.16 0.00 -1.26 -4.97 121.76 122.59 3ho8 s ALA 976 Ca -0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 3ho8 s ALA 976 Cb 0.00 -2.27 -0.18 0.00 0.00 0.00 0.00 23.12 20.68 3ho8 s ALA 976 CO 0.00 -0.57 0.63 2.89 0.00 0.00 0.00 175.76 178.71 3ho8 n ARG 977 N -2.28 0.00 0.23 0.00 1.85 -1.26 -4.82 116.66 110.38 3ho8 n ARG 977 Ca 0.03 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.04 3ho8 n ARG 977 Cb 0.58 -1.10 0.83 0.00 -1.05 0.00 0.00 32.46 31.72 3ho8 n ARG 977 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3ho8 h PRO 978 N 1.42 0.00 -0.73 2.89 0.11 -1.91 -2.99 132.00 130.79 3ho8 h PRO 978 Ca -0.33 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.86 3ho8 h PRO 978 Cb 1.43 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.47 3ho8 h PRO 978 CO 0.58 0.00 0.40 0.78 -0.21 0.00 0.00 178.00 179.55 3ho8 h GLY 979 N 0.27 1.10 -1.75 -0.55 0.00 -1.88 -2.34 103.07 97.92 3ho8 h GLY 979 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ho8 h GLY 979 CO 0.00 0.12 0.00 -1.84 0.00 0.00 0.00 176.54 174.82 3ho8 n GLU 980 N -4.80 2.33 -0.01 4.80 0.28 -1.13 -2.64 120.64 119.48 3ho8 n GLU 980 Ca 0.11 -1.37 0.10 0.00 -0.16 0.00 0.00 57.16 55.84 3ho8 n GLU 980 Cb 0.24 -1.57 -0.14 0.00 1.43 0.00 0.00 31.44 31.39 3ho8 n GLU 980 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3ho8 n TYR 981 N 0.40 0.00 -3.86 -1.84 4.02 -0.89 -4.99 117.16 110.00 3ho8 n TYR 981 Ca 0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.66 3ho8 n TYR 981 Cb 0.50 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3ho8 n TYR 981 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ho8 s LEU 982 N -3.95 4.39 0.28 7.72 1.43 -1.08 -5.09 118.68 122.37 3ho8 s LEU 982 Ca -0.03 0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 3ho8 s LEU 982 Cb 0.13 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 3ho8 s LEU 982 CO 0.80 0.34 0.94 -1.61 0.23 0.00 0.00 176.35 177.05 3ho8 s GLU 983 N -1.41 4.74 0.60 1.70 0.41 -1.26 -4.81 118.70 118.66 3ho8 s GLU 983 Ca 0.21 1.42 -0.20 0.00 -0.41 0.00 0.00 54.97 55.99 3ho8 s GLU 983 Cb -0.13 -3.06 -0.03 0.00 -1.78 0.00 0.00 34.13 29.13 3ho8 s GLU 983 CO 0.11 0.41 1.30 -2.14 -0.49 0.00 0.00 175.26 174.44 3ho8 s PRO 984 N -1.57 2.87 0.14 0.39 0.02 -1.26 -4.62 135.00 130.97 3ho8 s PRO 984 Ca 0.45 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 3ho8 s PRO 984 Cb -0.23 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.20 3ho8 s PRO 984 CO 0.28 -1.35 0.91 0.08 -0.33 0.00 0.00 177.00 176.59 3ho8 s VAL 985 N -1.40 4.40 -1.05 3.83 1.01 -1.26 -4.99 120.40 120.94 3ho8 s VAL 985 Ca 0.77 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 64.52 3ho8 s VAL 985 Cb -0.37 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 31.82 3ho8 s VAL 985 CO 0.41 0.40 1.40 -0.62 0.00 0.00 0.00 175.10 176.69 3ho8 s ASP 986 N -0.46 6.63 0.20 3.32 -1.08 -1.26 -4.88 116.67 119.14 3ho8 s ASP 986 Ca 0.43 -1.87 -0.11 0.00 -0.52 0.00 0.00 52.55 50.47 3ho8 s ASP 986 Cb -0.24 -2.51 0.22 0.00 -1.46 0.00 0.00 42.92 38.94 3ho8 s ASP 986 CO 0.29 -1.28 1.74 -0.26 0.52 0.00 0.00 175.17 176.18 3ho8 h PHE 987 N 9.01 0.34 0.00 -5.34 0.05 -2.00 -0.37 116.94 118.63 3ho8 h PHE 987 Ca 0.23 0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.05 3ho8 h PHE 987 Cb 0.98 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.86 3ho8 h PHE 987 CO 1.26 0.09 0.00 1.05 -0.18 0.00 0.00 178.31 180.53 3ho8 h GLU 988 N 0.37 0.00 0.02 1.51 9.09 -1.98 0.27 114.58 123.86 3ho8 h GLU 988 Ca 0.27 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.47 3ho8 h GLU 988 Cb 0.32 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 3ho8 h GLU 988 CO -0.28 0.00 -0.95 0.87 0.05 0.00 0.00 179.01 178.70 3ho8 h LYS 989 N 0.00 0.26 -0.16 1.06 1.79 -1.48 -0.03 116.57 118.01 3ho8 h LYS 989 Ca 0.00 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.08 3ho8 h LYS 989 Cb 0.05 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3ho8 h LYS 989 CO 0.00 1.03 -0.23 0.28 -1.08 0.00 0.00 179.45 179.45 3ho8 h VAL 990 N 0.13 1.35 -0.25 0.50 2.07 -0.35 -1.07 116.25 118.64 3ho8 h VAL 990 Ca -0.06 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.06 3ho8 h VAL 990 Cb 1.59 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 33.20 3ho8 h VAL 990 CO 0.15 0.43 -0.47 -0.09 0.02 0.00 0.00 177.57 177.61 3ho8 h ARG 991 N 0.07 -0.44 -0.69 1.57 9.65 -0.91 0.23 114.38 123.86 3ho8 h ARG 991 Ca 0.02 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.07 3ho8 h ARG 991 Cb 0.80 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 29.35 3ho8 h ARG 991 CO 0.05 -0.29 -0.07 1.49 2.80 0.00 0.00 179.97 183.95 3ho8 h GLU 992 N -0.45 0.06 -0.14 0.20 4.81 -0.87 -0.35 114.58 117.83 3ho8 h GLU 992 Ca 0.08 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3ho8 h GLU 992 Cb 0.63 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3ho8 h GLU 992 CO -0.49 0.04 -0.21 1.25 -0.73 0.00 0.00 179.01 178.87 3ho8 h LEU 993 N 0.06 0.43 -0.91 1.64 5.85 -0.67 -3.09 115.31 118.62 3ho8 h LEU 993 Ca 0.36 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3ho8 h LEU 993 Cb 0.59 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3ho8 h LEU 993 CO -0.65 0.87 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.82 3ho8 h LEU 994 N -0.00 0.00 -0.44 2.25 3.38 -0.16 -0.96 115.31 119.38 3ho8 h LEU 994 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3ho8 h LEU 994 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3ho8 h LEU 994 CO 0.05 0.43 -0.23 -0.33 0.09 0.00 0.00 178.44 178.45 3ho8 h GLU 995 N 0.00 0.94 -0.11 1.13 4.39 -1.15 -2.19 114.58 117.59 3ho8 h GLU 995 Ca -0.00 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.18 3ho8 h GLU 995 Cb 0.93 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3ho8 h GLU 995 CO 0.06 1.08 -0.30 1.49 -1.16 0.00 0.00 179.01 180.18 3ho8 h GLU 996 N 0.77 0.39 -0.77 2.33 4.22 -1.43 -3.31 114.58 116.78 3ho8 h GLU 996 Ca 0.10 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.23 3ho8 h GLU 996 Cb 0.81 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3ho8 h GLU 996 CO 0.07 0.89 0.39 0.93 -2.18 0.00 0.00 179.01 179.11 3ho8 h GLU 997 N -0.04 1.10 0.00 1.92 5.08 -1.15 -3.43 114.58 118.05 3ho8 h GLU 997 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ho8 h GLU 997 Cb 0.91 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3ho8 h GLU 997 CO 0.06 0.84 0.00 1.04 -1.00 0.00 0.00 179.01 179.95 3ho8 n GLN 998 N -4.40 1.35 0.09 2.33 6.02 -0.83 -5.03 117.38 116.91 3ho8 n GLN 998 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 3ho8 n GLN 998 Cb 0.12 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.25 3ho8 n GLN 998 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3ho8 h GLN 999 N 0.00 0.19 0.00 -1.09 3.07 -1.84 -3.47 115.11 111.97 3ho8 h GLN 999 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 58.43 3ho8 h GLN 999 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.68 3ho8 h GLN 999 CO 0.00 1.14 0.00 0.41 0.09 0.00 0.00 178.83 180.47 3ho8 n GLY 1000N 1.44 -0.42 0.00 0.06 0.00 -1.25 -4.97 105.19 100.05 3ho8 n GLY 1000Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ho8 n GLY 1000CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ho8 n PRO 1001N 0.00 0.00 -1.15 1.61 -0.02 -1.26 -5.01 135.00 129.16 3ho8 n PRO 1001Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ho8 n PRO 1001Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3ho8 n PRO 1001CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ho8 n VAL 1002N 0.00 -6.87 -4.16 -1.45 0.31 -1.26 -4.94 118.33 99.96 3ho8 n VAL 1002Ca 0.00 1.44 -0.18 0.00 -0.01 0.00 0.00 64.34 65.59 3ho8 n VAL 1002Cb 0.00 -3.49 -0.02 0.00 -0.91 0.00 0.00 33.84 29.41 3ho8 n VAL 1002CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ho8 n THR 1003N 0.80 0.00 0.14 2.52 -2.24 -1.26 -4.98 114.28 109.25 3ho8 n THR 1003Ca 0.00 -1.40 -0.01 0.00 -2.27 0.00 0.00 64.05 60.37 3ho8 n THR 1003Cb 0.00 0.08 0.22 0.00 -2.10 0.00 0.00 70.33 68.53 3ho8 n THR 1003CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ho8 h GLU 1004N 0.00 0.04 0.00 -0.78 4.39 -2.00 -2.75 114.58 113.48 3ho8 h GLU 1004Ca -0.24 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 3ho8 h GLU 1004Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3ho8 h GLU 1004CO 0.39 0.56 -0.36 1.96 -1.16 0.00 0.00 179.01 180.40 3ho8 h GLN 1005N 0.03 0.00 -0.32 2.33 4.20 -1.99 -2.83 115.11 116.54 3ho8 h GLN 1005Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3ho8 h GLN 1005Cb 0.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3ho8 h GLN 1005CO 0.07 0.36 -0.19 -0.44 -0.67 0.00 0.00 178.83 177.96 3ho8 h ASP 1006N 0.00 0.72 0.83 1.46 3.32 -1.90 -3.21 116.42 117.64 3ho8 h ASP 1006Ca -0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3ho8 h ASP 1006Cb 1.01 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.37 3ho8 h ASP 1006CO 0.05 0.99 -0.40 0.40 -1.72 0.00 0.00 179.24 178.55 3ho8 h ILE 1007N 0.45 0.11 0.00 0.35 2.04 -1.25 -2.55 117.51 116.66 3ho8 h ILE 1007Ca 0.07 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3ho8 h ILE 1007Cb 0.73 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3ho8 h ILE 1007CO 0.05 0.01 0.00 2.30 0.00 0.00 0.00 178.15 180.51 3ho8 n ILE 1008N -5.54 0.97 0.06 -0.67 -6.64 -1.11 -2.35 119.36 104.08 3ho8 n ILE 1008Ca -0.15 0.57 -0.17 0.00 -1.77 0.00 0.00 62.75 61.23 3ho8 n ILE 1008Cb 0.45 -1.55 -0.14 0.00 -1.44 0.00 0.00 39.64 36.96 3ho8 n ILE 1008CO 0.00 0.00 0.00 -1.28 -1.77 0.00 0.00 176.55 173.50 3ho8 h SER 1009N 0.00 0.40 0.04 7.28 0.87 -1.48 -1.67 113.55 118.99 3ho8 h SER 1009Ca 0.00 -0.56 -0.21 0.00 -1.23 0.00 0.00 61.79 59.79 3ho8 h SER 1009Cb 0.12 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ho8 h SER 1009CO 0.00 1.47 -0.77 0.22 -0.53 0.00 0.00 176.83 177.22 3ho8 h TYR 1010N 0.07 0.84 0.11 2.24 3.20 -1.14 -2.13 116.97 120.17 3ho8 h TYR 1010Ca -0.25 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 61.24 3ho8 h TYR 1010Cb 2.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.17 3ho8 h TYR 1010CO 0.06 1.18 -0.05 0.28 -1.64 0.00 0.00 178.16 177.99 3ho8 h VAL 1011N 0.42 0.95 0.34 1.81 2.07 -1.48 0.15 116.25 120.50 3ho8 h VAL 1011Ca -0.05 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ho8 h VAL 1011Cb 1.38 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3ho8 h VAL 1011CO 0.15 0.05 -0.20 -0.07 0.02 0.00 0.00 177.57 177.52 3ho8 h LEU 1012N -0.25 -0.50 -7.04 2.57 3.38 -1.35 -3.36 115.31 108.77 3ho8 h LEU 1012Ca -0.02 0.03 -0.62 0.00 0.09 0.00 0.00 57.88 57.36 3ho8 h LEU 1012Cb 0.20 0.14 -0.41 0.00 0.09 0.00 0.00 40.66 40.69 3ho8 h LEU 1012CO 0.03 -0.32 -0.67 -0.31 0.09 0.00 0.00 178.44 177.25 3ho8 s TYR 1013N -6.11 2.84 0.05 1.13 1.51 -0.80 -4.53 117.35 111.45 3ho8 s TYR 1013Ca -0.16 -2.99 -0.17 0.00 -1.01 0.00 0.00 57.07 52.75 3ho8 s TYR 1013Cb 0.05 -2.33 -0.07 0.00 -0.11 0.00 0.00 41.96 39.50 3ho8 s TYR 1013CO 0.64 -0.67 1.27 -1.35 -1.11 0.00 0.00 175.55 174.33 3ho8 h PRO 1014N 5.94 -0.33 -0.25 -1.71 0.11 -1.12 -0.91 132.00 133.73 3ho8 h PRO 1014Ca 0.08 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.24 3ho8 h PRO 1014Cb 0.84 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3ho8 h PRO 1014CO 0.62 -0.22 0.08 0.87 -0.21 0.00 0.00 178.00 179.14 3ho8 h LYS 1015N -0.34 0.19 -0.62 1.05 1.57 -1.95 -2.65 116.57 113.81 3ho8 h LYS 1015Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3ho8 h LYS 1015Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3ho8 h LYS 1015CO -0.16 0.13 0.04 0.28 -0.57 0.00 0.00 179.45 179.16 3ho8 h VAL 1016N 0.20 1.26 -0.31 0.50 2.07 -1.96 -2.18 116.25 115.83 3ho8 h VAL 1016Ca 0.11 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3ho8 h VAL 1016Cb 0.07 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3ho8 h VAL 1016CO -0.11 0.41 0.09 0.22 0.02 0.00 0.00 177.57 178.20 3ho8 h TYR 1017N 0.98 0.50 -0.93 1.57 3.20 -1.08 -0.21 116.97 121.00 3ho8 h TYR 1017Ca 0.18 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3ho8 h TYR 1017Cb 0.51 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 3ho8 h TYR 1017CO 0.04 0.52 0.61 0.93 -1.64 0.00 0.00 178.16 178.61 3ho8 h GLU 1018N 0.34 1.07 -0.19 1.82 4.39 -1.36 -1.92 114.58 118.72 3ho8 h GLU 1018Ca 0.10 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 3ho8 h GLU 1018Cb 0.26 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3ho8 h GLU 1018CO -0.00 0.71 -0.60 0.37 -1.16 0.00 0.00 179.01 178.32 3ho8 h GLN 1019N 1.10 0.65 0.20 2.33 4.15 -1.18 -2.61 115.11 119.74 3ho8 h GLN 1019Ca 0.39 -0.44 0.01 0.00 0.77 0.00 0.00 58.65 59.38 3ho8 h GLN 1019Cb 0.13 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 3ho8 h GLN 1019CO -0.14 1.06 -0.31 -0.92 -1.93 0.00 0.00 178.83 176.59 3ho8 h TYR 1020N 0.48 -0.84 -1.00 3.99 3.20 -0.68 -2.65 116.97 119.48 3ho8 h TYR 1020Ca -0.00 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.02 3ho8 h TYR 1020Cb 1.18 0.34 -0.09 0.00 1.54 0.00 0.00 36.73 39.70 3ho8 h TYR 1020CO 0.06 -0.43 0.62 0.82 -1.64 0.00 0.00 178.16 177.59 3ho8 h ILE 1021N -0.58 0.86 -0.30 1.81 1.08 -1.19 0.32 117.51 119.50 3ho8 h ILE 1021Ca 0.01 -0.32 -0.06 0.00 -0.39 0.00 0.00 64.86 64.10 3ho8 h ILE 1021Cb 0.58 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 3ho8 h ILE 1021CO -0.13 0.17 -0.09 1.56 -0.69 0.00 0.00 178.15 178.97 3ho8 h GLN 1022N 0.92 0.49 -0.04 2.37 1.08 -1.41 0.23 115.11 118.75 3ho8 h GLN 1022Ca 0.52 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 57.44 3ho8 h GLN 1022Cb 0.60 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 3ho8 h GLN 1022CO -0.30 0.58 -0.57 1.15 -0.95 0.00 0.00 178.83 178.74 3ho8 h THR 1023N 0.46 1.40 -0.33 -0.54 2.02 -0.36 0.16 112.91 115.72 3ho8 h THR 1023Ca 0.09 -1.98 0.04 0.00 0.77 0.00 0.00 66.41 65.33 3ho8 h THR 1023Cb 0.43 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 3ho8 h THR 1023CO 0.02 0.58 0.22 -0.09 0.37 0.00 0.00 175.52 176.63 3ho8 h ARG 1024N -0.02 0.27 -0.20 6.66 2.43 -0.33 0.38 114.38 123.56 3ho8 h ARG 1024Ca -0.06 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.91 3ho8 h ARG 1024Cb 1.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ho8 h ARG 1024CO 0.11 0.18 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.22 3ho8 h ASN 1025N 0.27 0.81 0.04 -3.80 -0.26 -0.38 -2.59 115.58 109.69 3ho8 h ASN 1025Ca 0.14 -0.47 -0.00 0.00 -0.56 0.00 0.00 56.30 55.41 3ho8 h ASN 1025Cb 0.21 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3ho8 h ASN 1025CO -0.03 1.24 -0.02 -0.61 -1.06 0.00 0.00 177.43 176.95 3ho8 h GLN 1026N 0.53 -0.05 -0.03 0.81 4.15 0.13 -3.40 115.11 117.25 3ho8 h GLN 1026Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ho8 h GLN 1026Cb 1.22 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3ho8 h GLN 1026CO 0.13 0.53 0.00 0.66 -1.93 0.00 0.00 178.83 178.22 3ho8 n TYR 1027N -4.82 0.04 -4.33 3.99 0.53 0.12 -4.89 117.16 107.80 3ho8 n TYR 1027Ca -0.09 -0.21 0.00 0.00 -1.02 0.00 0.00 57.90 56.58 3ho8 n TYR 1027Cb 0.30 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.59 3ho8 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ho8 n GLY 1028N -0.06 0.97 3.41 2.72 0.00 -0.97 -4.48 105.19 106.78 3ho8 n GLY 1028Ca 0.02 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 3ho8 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ho8 s ASN 1029N -4.00 7.05 0.37 1.61 3.04 -1.26 -4.29 114.94 117.46 3ho8 s ASN 1029Ca 0.00 -3.01 0.08 0.00 0.04 0.00 0.00 52.86 49.97 3ho8 s ASN 1029Cb 0.00 -2.32 0.80 0.00 -1.54 0.00 0.00 41.25 38.20 3ho8 s ASN 1029CO 0.00 -0.63 1.93 -0.07 -3.04 0.00 0.00 177.10 175.29 3ho8 h LEU 1030N 8.62 0.63 -1.90 3.21 3.38 -1.81 -2.61 115.31 124.82 3ho8 h LEU 1030Ca 0.22 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.33 3ho8 h LEU 1030Cb 0.92 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3ho8 h LEU 1030CO 1.09 0.37 0.49 0.77 0.09 0.00 0.00 178.44 181.25 3ho8 h SER 1031N 0.69 0.00 0.40 -0.43 4.64 -1.87 0.25 113.55 117.24 3ho8 h SER 1031Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 3ho8 h SER 1031Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ho8 h SER 1031CO -0.14 0.00 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.70 3ho8 h LEU 1032N 0.00 0.00-10.06 5.97 3.38 -1.80 -3.36 115.31 109.45 3ho8 h LEU 1032Ca 0.19 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.65 3ho8 h LEU 1032Cb 1.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.98 3ho8 h LEU 1032CO -0.00 0.06 0.46 -0.76 0.09 0.00 0.00 178.44 178.29 3ho8 s LEU 1033N -6.76 3.84 0.55 1.67 1.02 0.89 -4.43 118.68 115.46 3ho8 s LEU 1033Ca -0.03 2.26 -0.17 0.00 0.02 0.00 0.00 54.13 56.21 3ho8 s LEU 1033Cb 0.12 -4.46 -0.06 0.00 0.02 0.00 0.00 46.19 41.82 3ho8 s LEU 1033CO 0.53 -1.16 1.05 1.51 0.02 0.00 0.00 176.35 178.30 3ho8 s ASP 1034N -1.58 6.03 0.12 2.29 -4.77 -1.26 -4.84 116.67 112.66 3ho8 s ASP 1034Ca 0.70 1.83 -0.31 0.00 -3.30 0.00 0.00 52.55 51.47 3ho8 s ASP 1034Cb -0.27 -2.54 -0.09 0.00 -1.09 0.00 0.00 42.92 38.93 3ho8 s ASP 1034CO 0.31 -1.00 1.58 0.74 0.70 0.00 0.00 175.17 177.50 3ho8 h THR 1035N 0.84 0.11 -0.81 2.11 2.02 -1.95 -1.96 112.91 113.27 3ho8 h THR 1035Ca -0.48 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.83 3ho8 h THR 1035Cb 1.22 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3ho8 h THR 1035CO 0.58 0.00 0.53 -0.65 0.37 0.00 0.00 175.52 176.35 3ho8 h PRO 1036N -0.59 0.60 -0.01 6.66 0.11 -1.93 -0.23 132.00 136.61 3ho8 h PRO 1036Ca 0.04 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 3ho8 h PRO 1036Cb 0.67 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3ho8 h PRO 1036CO -0.35 0.40 -0.70 1.15 -0.21 0.00 0.00 178.00 178.29 3ho8 h THR 1037N 0.62 1.47 -0.52 -1.15 2.02 -1.73 -1.87 112.91 111.75 3ho8 h THR 1037Ca 0.39 -2.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.20 3ho8 h THR 1037Cb 0.65 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 3ho8 h THR 1037CO -0.15 0.67 0.17 0.15 0.37 0.00 0.00 175.52 176.73 3ho8 h PHE 1038N 0.06 0.84 0.00 3.16 3.57 -0.28 0.74 116.94 125.03 3ho8 h PHE 1038Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3ho8 h PHE 1038Cb 1.25 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3ho8 h PHE 1038CO 0.01 0.72 -0.62 0.74 -2.23 0.00 0.00 178.31 176.92 3ho8 h PHE 1039N 0.72 0.00 0.00 0.41 0.05 -1.39 -3.42 116.94 113.31 3ho8 h PHE 1039Ca 0.17 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.96 3ho8 h PHE 1039Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.22 3ho8 h PHE 1039CO 0.01 0.00 -0.41 1.19 -0.18 0.00 0.00 178.31 178.93 3ho8 n PHE 1040N -2.54 0.00 0.00 -0.55 3.01 -0.71 -4.13 117.46 112.54 3ho8 n PHE 1040Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3ho8 n PHE 1040Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3ho8 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ho8 n GLY 1041N 1.15 2.37 3.32 1.37 0.00 0.24 -4.15 105.19 109.49 3ho8 n GLY 1041Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3ho8 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ho8 s MET 1042N 0.00 1.21 0.30 1.61 1.00 -1.26 -4.48 119.30 117.68 3ho8 s MET 1042Ca 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 55.69 54.41 3ho8 s MET 1042Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 34.83 35.14 3ho8 s MET 1042CO 0.00 -0.43 0.21 1.03 0.00 0.00 0.00 175.02 175.83 3ho8 s ARG 1043N -4.04 2.69 0.16 2.03 0.52 -1.26 -4.90 118.95 114.15 3ho8 s ARG 1043Ca 0.25 -1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 3ho8 s ARG 1043Cb 0.04 -2.43 -0.11 0.00 0.52 0.00 0.00 34.95 32.97 3ho8 s ARG 1043CO 0.05 0.22 1.80 -0.80 0.02 0.00 0.00 175.30 176.59 3ho8 s ASN 1044N -3.89 6.39 0.00 0.23 0.02 -1.26 -2.63 114.94 113.80 3ho8 s ASN 1044Ca 0.37 2.83 0.00 0.00 -1.02 0.00 0.00 52.86 55.03 3ho8 s ASN 1044Cb -0.06 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.63 3ho8 s ASN 1044CO 0.25 -1.00 0.00 0.61 0.02 0.00 0.00 177.10 176.98 3ho8 n GLY 1045N 4.15 0.48 3.85 0.66 0.00 0.64 -5.01 105.19 109.96 3ho8 n GLY 1045Ca 0.17 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3ho8 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ho8 s GLU 1046N -1.32 3.82 -0.21 1.61 2.12 -1.08 -4.88 118.70 118.77 3ho8 s GLU 1046Ca 0.00 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.57 3ho8 s GLU 1046Cb 0.00 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 3ho8 s GLU 1046CO 0.00 0.64 -0.02 0.99 -0.54 0.00 0.00 175.26 176.33 3ho8 s THR 1047N -1.22 3.68 0.23 -1.70 2.01 -1.26 -2.00 115.64 115.39 3ho8 s THR 1047Ca 0.27 -0.40 0.11 0.00 0.31 0.00 0.00 61.69 61.99 3ho8 s THR 1047Cb -0.15 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 3ho8 s THR 1047CO 0.15 0.43 -0.22 0.68 -0.69 0.00 0.00 174.62 174.97 3ho8 s VAL 1048N 1.19 2.37 -0.21 3.82 -7.23 -0.43 -4.98 120.40 114.93 3ho8 s VAL 1048Ca 0.03 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 3ho8 s VAL 1048Cb -0.14 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.63 3ho8 s VAL 1048CO 0.00 -0.27 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.76 3ho8 s GLU 1049N -3.08 2.89 -0.23 4.82 2.02 -1.26 -1.28 118.70 122.58 3ho8 s GLU 1049Ca 0.25 -0.91 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 3ho8 s GLU 1049Cb -0.06 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 3ho8 s GLU 1049CO 0.12 -0.29 0.01 0.42 0.02 0.00 0.00 175.26 175.53 3ho8 s ILE 1050N 1.28 3.82 -0.37 -1.63 -1.09 -1.02 -4.90 121.20 117.30 3ho8 s ILE 1050Ca 0.02 -0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 3ho8 s ILE 1050Cb -0.15 -2.76 -0.00 0.00 -1.58 0.00 0.00 42.46 37.98 3ho8 s ILE 1050CO -0.10 0.39 0.40 -0.70 -1.23 0.00 0.00 174.94 173.71 3ho8 s GLU 1051N 1.42 3.44 0.00 2.79 2.12 -1.26 -0.77 118.70 126.44 3ho8 s GLU 1051Ca 0.05 -0.49 0.23 0.00 0.36 0.00 0.00 54.97 55.12 3ho8 s GLU 1051Cb -0.15 -3.85 0.11 0.00 0.26 0.00 0.00 34.13 30.51 3ho8 s GLU 1051CO 0.00 -0.63 1.15 -0.89 -0.54 0.00 0.00 175.26 174.36 3ho8 n ILE 1052N 5.31 0.00 0.00 -3.70 2.08 -0.27 -4.78 119.36 118.00 3ho8 n ILE 1052Ca -0.08 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3ho8 n ILE 1052Cb 0.49 0.97 0.00 0.00 -0.75 0.00 0.00 39.64 40.35 3ho8 n ILE 1052CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3ho8 n ASP 1053N -0.58 0.00 -4.53 4.38 4.64 -1.23 -5.00 116.55 114.23 3ho8 n ASP 1053Ca 0.08 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.06 3ho8 n ASP 1053Cb 0.41 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.43 3ho8 n ASP 1053CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3ho8 n LYS 1054N -0.70 1.27 0.00 -0.67 4.81 -1.26 0.17 118.16 121.78 3ho8 n LYS 1054Ca 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3ho8 n LYS 1054Cb 0.00 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.10 3ho8 n LYS 1054CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ho8 n GLY 1055N 6.13 1.14 3.04 3.14 0.00 -1.26 -5.05 105.19 112.33 3ho8 n GLY 1055Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 3ho8 n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ho8 s LYS 1056N 0.00 2.23 -0.21 1.61 1.02 0.13 -5.07 119.74 119.45 3ho8 s LYS 1056Ca 0.00 -2.48 -0.05 0.00 0.02 0.00 0.00 55.97 53.46 3ho8 s LYS 1056Cb 0.00 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 3ho8 s LYS 1056CO 0.00 -1.13 0.01 1.03 -0.92 0.00 0.00 175.35 174.34 3ho8 s ARG 1057N -0.01 3.60 -0.50 1.68 0.52 -1.26 -1.12 118.95 121.86 3ho8 s ARG 1057Ca 0.16 -0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 3ho8 s ARG 1057Cb -0.23 -3.11 0.06 0.00 0.52 0.00 0.00 34.95 32.19 3ho8 s ARG 1057CO -0.02 -0.04 0.58 -0.51 0.02 0.00 0.00 175.30 175.33 3ho8 s LEU 1058N 1.14 5.04 -0.52 2.53 1.43 0.05 -4.91 118.68 123.44 3ho8 s LEU 1058Ca 0.03 -0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 51.92 3ho8 s LEU 1058Cb -0.14 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.69 3ho8 s LEU 1058CO 0.01 -0.84 1.09 -0.63 0.23 0.00 0.00 176.35 176.21 3ho8 s ILE 1059N 2.47 4.22 0.02 -0.59 1.09 -1.26 -2.44 121.20 124.72 3ho8 s ILE 1059Ca 0.14 0.86 0.04 0.00 -1.10 0.00 0.00 60.65 60.58 3ho8 s ILE 1059Cb -0.20 -4.61 -0.03 0.00 -1.06 0.00 0.00 42.46 36.56 3ho8 s ILE 1059CO 0.11 -1.12 -0.07 -0.63 -0.10 0.00 0.00 174.94 173.13 3ho8 s ILE 1060N 4.43 3.60 -0.05 2.92 1.01 -0.40 -0.63 121.20 132.07 3ho8 s ILE 1060Ca 0.41 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3ho8 s ILE 1060Cb -0.09 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.82 3ho8 s ILE 1060CO 0.26 0.34 -0.02 -0.75 0.00 0.00 0.00 174.94 174.77 3ho8 s LYS 1061N -1.58 0.64 -0.47 2.79 2.20 0.96 -1.32 119.74 122.95 3ho8 s LYS 1061Ca 0.18 0.01 -0.20 0.00 -0.36 0.00 0.00 55.97 55.60 3ho8 s LYS 1061Cb -0.11 -0.81 0.04 0.00 -1.51 0.00 0.00 37.83 35.44 3ho8 s LYS 1061CO 0.09 -0.17 0.65 -1.17 -0.36 0.00 0.00 175.35 174.39 3ho8 s LEU 1062N 1.33 4.67 -0.14 5.43 0.20 -0.85 -0.24 118.68 129.08 3ho8 s LEU 1062Ca -0.05 -0.59 -0.17 0.00 0.69 0.00 0.00 54.13 54.01 3ho8 s LEU 1062Cb -0.13 -2.60 -0.15 0.00 -0.43 0.00 0.00 46.19 42.88 3ho8 s LEU 1062CO -0.02 -0.85 0.37 -0.33 -0.29 0.00 0.00 176.35 175.22 3ho8 h GLU 1063N 8.95 0.00 -3.35 1.98 5.08 -1.69 1.88 114.58 127.43 3ho8 h GLU 1063Ca -0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3ho8 h GLU 1063Cb 1.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3ho8 h GLU 1063CO 0.93 0.59 0.11 -0.08 -1.00 0.00 0.00 179.01 179.56 3ho8 s THR 1064N -2.03 0.00 -0.06 1.13 -1.32 -1.20 -4.08 115.64 108.09 3ho8 s THR 1064Ca -0.14 -1.20 -0.04 0.00 -1.21 0.00 0.00 61.69 59.10 3ho8 s THR 1064Cb -0.00 -2.60 0.02 0.00 -1.51 0.00 0.00 72.50 68.41 3ho8 s THR 1064CO 0.42 0.00 0.15 -0.63 -2.21 0.00 0.00 174.62 172.34 3ho8 s ILE 1065N -2.95 -0.02 0.38 5.08 1.01 -1.26 -2.30 121.20 121.14 3ho8 s ILE 1065Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3ho8 s ILE 1065Cb -0.04 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 3ho8 s ILE 1065CO 0.13 0.03 0.63 -0.94 0.00 0.00 0.00 174.94 174.79 3ho8 s SER 1066N 0.49 6.31 0.58 3.58 1.04 -0.53 -4.98 113.70 120.18 3ho8 s SER 1066Ca -0.03 0.66 -0.20 0.00 0.48 0.00 0.00 55.95 56.86 3ho8 s SER 1066Cb -0.05 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 3ho8 s SER 1066CO -0.02 -0.38 1.23 -1.61 0.98 0.00 0.00 173.24 173.44 3ho8 s GLU 1067N -4.34 3.05 0.78 4.02 0.41 -1.26 -4.23 118.70 117.13 3ho8 s GLU 1067Ca 0.43 1.89 -0.11 0.00 -0.41 0.00 0.00 54.97 56.77 3ho8 s GLU 1067Cb -0.10 -2.02 0.06 0.00 -1.78 0.00 0.00 34.13 30.30 3ho8 s GLU 1067CO 0.38 -1.16 1.11 -1.25 -0.49 0.00 0.00 175.26 173.86 3ho8 s PRO 1068N -3.21 2.10 0.13 0.39 0.04 -1.26 -4.71 135.00 128.48 3ho8 s PRO 1068Ca 0.76 1.31 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3ho8 s PRO 1068Cb -0.32 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3ho8 s PRO 1068CO 0.35 -1.78 0.16 -0.40 0.04 0.00 0.00 177.00 175.37 3ho8 n ASP 1069N -3.44 0.69 0.03 6.66 3.85 -0.90 -4.85 116.55 118.60 3ho8 n ASP 1069Ca 0.10 -1.37 0.12 0.00 -0.71 0.00 0.00 54.79 52.93 3ho8 n ASP 1069Cb 0.52 -0.08 0.18 0.00 -1.35 0.00 0.00 41.12 40.40 3ho8 n ASP 1069CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3ho8 n GLU 1070N -1.17 0.02 -0.02 0.11 0.28 -1.26 -0.91 120.64 117.68 3ho8 n GLU 1070Ca 0.03 0.77 0.02 0.00 -0.16 0.00 0.00 57.16 57.82 3ho8 n GLU 1070Cb 0.14 -1.99 -0.10 0.00 1.43 0.00 0.00 31.44 30.92 3ho8 n GLU 1070CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3ho8 n ASN 1071N -2.45 1.98 0.00 -1.84 5.03 -1.26 -4.97 115.26 111.74 3ho8 n ASN 1071Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 3ho8 n ASN 1071Cb 1.00 1.34 0.00 0.00 -1.02 0.00 0.00 39.78 41.10 3ho8 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ho8 n GLY 1072N 1.91 0.83 3.64 7.41 0.00 -0.09 -4.93 105.19 113.96 3ho8 n GLY 1072Ca -0.08 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3ho8 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ho8 s ASN 1073N -2.18 6.60 0.09 1.61 0.01 -1.26 0.16 114.94 119.97 3ho8 s ASN 1073Ca 0.00 0.73 -0.01 0.00 -0.71 0.00 0.00 52.86 52.87 3ho8 s ASN 1073Cb 0.00 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 3ho8 s ASN 1073CO 0.00 -0.32 0.26 -0.13 -1.51 0.00 0.00 177.10 175.40 3ho8 s ARG 1074N 2.25 3.48 -0.26 -0.60 0.52 0.02 -2.12 118.95 122.24 3ho8 s ARG 1074Ca 0.26 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3ho8 s ARG 1074Cb -0.16 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.34 3ho8 s ARG 1074CO 0.09 0.56 -0.01 0.99 0.02 0.00 0.00 175.30 176.95 3ho8 s THR 1075N -1.59 3.37 -0.32 0.02 2.01 -1.26 -1.67 115.64 116.20 3ho8 s THR 1075Ca 0.36 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3ho8 s THR 1075Cb -0.12 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 3ho8 s THR 1075CO 0.28 0.22 0.19 -0.63 -0.69 0.00 0.00 174.62 173.98 3ho8 s ILE 1076N 1.42 4.92 -0.66 1.82 1.01 -0.60 -1.45 121.20 127.66 3ho8 s ILE 1076Ca 0.02 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 3ho8 s ILE 1076Cb -0.16 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 38.91 3ho8 s ILE 1076CO -0.02 0.05 0.80 -0.31 0.00 0.00 0.00 174.94 175.47 3ho8 s TYR 1077N 1.67 3.01 0.59 3.97 1.51 -0.97 -2.37 117.35 124.74 3ho8 s TYR 1077Ca 0.05 -1.01 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 3ho8 s TYR 1077Cb -0.17 -4.08 0.03 0.00 -0.11 0.00 0.00 41.96 37.63 3ho8 s TYR 1077CO 0.08 -1.36 0.85 0.71 -1.11 0.00 0.00 175.55 174.72 3ho8 s TYR 1078N 2.76 2.96 -0.11 2.71 1.51 -1.11 -1.79 117.35 124.28 3ho8 s TYR 1078Ca 0.16 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 3ho8 s TYR 1078Cb -0.20 -2.83 0.02 0.00 -0.11 0.00 0.00 41.96 38.84 3ho8 s TYR 1078CO 0.04 -0.96 -0.13 0.00 -1.11 0.00 0.00 175.55 173.39 3ho8 s ALA 1079N -2.90 1.58 -0.20 3.71 0.00 0.67 -1.51 121.76 123.10 3ho8 s ALA 1079Ca 0.57 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3ho8 s ALA 1079Cb -0.10 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.22 3ho8 s ALA 1079CO 0.41 -0.15 -0.12 1.41 0.00 0.00 0.00 175.76 177.31 3ho8 s MET 1080N 1.14 2.20 -1.33 0.00 1.75 0.41 -0.03 119.30 123.44 3ho8 s MET 1080Ca -0.04 -0.87 -0.00 0.00 -1.25 0.00 0.00 55.69 53.53 3ho8 s MET 1080Cb -0.14 -2.46 0.00 0.00 2.84 0.00 0.00 34.83 35.07 3ho8 s MET 1080CO -0.03 -0.40 0.63 0.09 -0.65 0.00 0.00 175.02 174.66 3ho8 n ASN 1081N 4.66 -0.93 0.00 1.11 5.03 0.20 -1.30 115.26 124.02 3ho8 n ASN 1081Ca -0.16 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.43 3ho8 n ASN 1081Cb 0.47 -3.81 0.00 0.00 -1.02 0.00 0.00 39.78 35.41 3ho8 n ASN 1081CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ho8 n GLY 1082N -1.67 2.18 3.82 7.41 0.00 -1.26 -4.98 105.19 110.69 3ho8 n GLY 1082Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3ho8 n GLY 1082CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ho8 s GLN 1083N 0.00 3.78 0.40 1.61 -0.21 -0.42 -5.08 119.66 119.74 3ho8 s GLN 1083Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 55.36 55.14 3ho8 s GLN 1083Cb 0.00 -3.27 -0.09 0.00 1.00 0.00 0.00 33.01 30.65 3ho8 s GLN 1083CO 0.00 0.60 1.07 0.00 -2.12 0.00 0.00 175.29 174.84 3ho8 s ALA 1084N -0.59 3.08 0.13 6.09 0.00 -1.26 0.16 121.76 129.36 3ho8 s ALA 1084Ca 0.16 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3ho8 s ALA 1084Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3ho8 s ALA 1084CO 0.05 -0.27 -0.06 0.50 0.00 0.00 0.00 175.76 175.98 3ho8 s ARG 1085N -2.49 0.95 -0.13 0.00 6.06 -0.57 -4.85 118.95 117.91 3ho8 s ARG 1085Ca 0.58 -1.40 -0.03 0.00 -2.50 0.00 0.00 55.73 52.38 3ho8 s ARG 1085Cb -0.23 -0.33 0.05 0.00 0.06 0.00 0.00 34.95 34.49 3ho8 s ARG 1085CO 0.29 -0.01 0.03 1.03 -2.50 0.00 0.00 175.30 174.14 3ho8 s ARG 1086N -3.82 0.47 -0.05 5.12 0.52 -1.26 -2.75 118.95 117.18 3ho8 s ARG 1086Ca 0.15 -0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.32 3ho8 s ARG 1086Cb 0.05 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 3ho8 s ARG 1086CO -0.02 -0.50 -0.23 0.42 0.02 0.00 0.00 175.30 174.99 3ho8 s ILE 1087N 1.97 1.91 -0.29 1.52 -1.09 -1.00 -4.97 121.20 119.27 3ho8 s ILE 1087Ca 0.02 -1.00 -0.08 0.00 -2.23 0.00 0.00 60.65 57.37 3ho8 s ILE 1087Cb -0.15 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3ho8 s ILE 1087CO -0.07 0.54 0.10 -0.31 -1.23 0.00 0.00 174.94 173.97 3ho8 s TYR 1088N -0.19 3.13 -0.22 3.97 1.51 -1.26 -1.55 117.35 122.75 3ho8 s TYR 1088Ca -0.02 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 3ho8 s TYR 1088Cb -0.13 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3ho8 s TYR 1088CO 0.03 -0.47 -0.13 0.42 -1.11 0.00 0.00 175.55 174.29 3ho8 s ILE 1089N 1.57 2.38 -0.04 2.71 -1.09 -0.67 -4.95 121.20 121.11 3ho8 s ILE 1089Ca 0.04 -1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 57.06 3ho8 s ILE 1089Cb -0.16 -2.16 -0.06 0.00 -1.58 0.00 0.00 42.46 38.50 3ho8 s ILE 1089CO 0.04 0.30 1.65 -0.75 -1.23 0.00 0.00 174.94 174.95 3ho8 s LYS 1090N 1.26 4.18 -0.32 2.79 2.47 -1.26 -0.80 119.74 128.07 3ho8 s LYS 1090Ca 0.00 2.20 -0.24 0.00 -1.56 0.00 0.00 55.97 56.37 3ho8 s LYS 1090Cb -0.16 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 3ho8 s LYS 1090CO -0.08 -0.83 0.81 0.34 0.16 0.00 0.00 175.35 175.75 3ho8 s ASP 1091N 3.26 6.66 0.10 1.43 3.68 0.12 -4.95 116.67 126.98 3ho8 s ASP 1091Ca 0.73 0.64 -0.22 0.00 2.13 0.00 0.00 52.55 55.83 3ho8 s ASP 1091Cb -0.34 -2.42 -0.13 0.00 -1.45 0.00 0.00 42.92 38.59 3ho8 s ASP 1091CO 0.30 -0.66 1.74 -0.33 0.13 0.00 0.00 175.17 176.34 3ho8 h GLU 1092N 8.19 0.01 0.00 4.34 3.07 -1.93 -3.47 114.58 124.78 3ho8 h GLU 1092Ca -0.24 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3ho8 h GLU 1092Cb 1.09 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 3ho8 h GLU 1092CO 0.90 0.01 0.00 -1.71 -1.40 0.00 0.00 179.01 176.81