#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm4 n SER 68 N 0.00 0.00 0.00 4.38 7.64 -1.26 -4.00 113.62 120.38 1sm4 n SER 68 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sm4 n SER 68 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sm4 n SER 68 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1sm4 n LYS 69 N -0.54 0.00 -0.85 1.43 2.85 -1.26 -2.75 118.16 117.04 1sm4 n LYS 69 Ca 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 1sm4 n LYS 69 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1sm4 n LYS 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1sm4 n LYS 70 N 0.00 -1.17 -2.52 -1.58 4.76 -1.26 -4.37 118.16 112.03 1sm4 n LYS 70 Ca 0.00 0.91 -0.43 0.00 -2.87 0.00 0.00 58.31 55.92 1sm4 n LYS 70 Cb 0.00 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1sm4 n LYS 70 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1sm4 n GLN 71 N -3.05 3.65 -0.27 1.97 6.02 0.94 -4.43 117.38 122.22 1sm4 n GLN 71 Ca -0.02 -3.69 0.10 0.00 -0.01 0.00 0.00 57.00 53.38 1sm4 n GLN 71 Cb 0.47 -2.90 0.25 0.00 1.02 0.00 0.00 30.24 29.08 1sm4 n GLN 71 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1sm4 n ASP 72 N 3.93 3.54 -4.59 1.08 3.85 -1.26 -4.83 116.55 118.26 1sm4 n ASP 72 Ca 0.38 -1.97 -0.43 0.00 -0.71 0.00 0.00 54.79 52.06 1sm4 n ASP 72 Cb 0.37 -0.35 -0.02 0.00 -1.35 0.00 0.00 41.12 39.76 1sm4 n ASP 72 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1sm4 s GLU 73 N -1.12 3.45 0.00 0.11 2.02 -1.26 -2.46 118.70 119.44 1sm4 s GLU 73 Ca 0.40 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.33 1sm4 s GLU 73 Cb 0.21 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.36 1sm4 s GLU 73 CO 0.29 -1.72 0.00 0.41 0.02 0.00 0.00 175.26 174.26 1sm4 n GLY 74 N 5.20 0.54 3.67 -1.39 0.00 -1.26 -5.02 105.19 106.92 1sm4 n GLY 74 Ca 0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1sm4 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm4 s VAL 75 N -2.00 3.77 -0.05 1.61 0.11 -1.03 -5.00 120.40 117.81 1sm4 s VAL 75 Ca 0.00 0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 59.87 1sm4 s VAL 75 Cb 0.00 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.17 1sm4 s VAL 75 CO 0.00 -0.07 0.42 0.68 -3.33 0.00 0.00 175.10 172.80 1sm4 s VAL 76 N 3.59 5.09 -0.07 2.04 -7.23 -1.26 -5.07 120.40 117.48 1sm4 s VAL 76 Ca 0.67 0.86 0.05 0.00 -1.81 0.00 0.00 61.98 61.75 1sm4 s VAL 76 Cb -0.30 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 1sm4 s VAL 76 CO 0.25 0.49 -0.25 -0.69 -0.31 0.00 0.00 175.10 174.59 1sm4 s VAL 77 N -0.43 2.07 -0.75 1.32 1.01 -1.26 -4.53 120.40 117.83 1sm4 s VAL 77 Ca 0.24 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1sm4 s VAL 77 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1sm4 s VAL 77 CO 0.12 0.57 0.57 0.59 0.00 0.00 0.00 175.10 176.95 1sm4 n ASN 78 N 3.13 -4.58 0.15 3.32 3.02 0.91 -4.86 115.26 116.34 1sm4 n ASN 78 Ca -0.18 -0.86 0.03 0.00 -0.03 0.00 0.00 54.58 53.54 1sm4 n ASN 78 Cb 0.52 -1.50 0.10 0.00 -0.61 0.00 0.00 39.78 38.29 1sm4 n ASN 78 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sm4 h LYS 79 N -0.01 0.00 -5.49 3.52 3.64 -1.25 -3.43 116.57 113.55 1sm4 h LYS 79 Ca -0.61 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.21 1sm4 h LYS 79 Cb 1.33 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.85 1sm4 h LYS 79 CO 0.34 0.51 -0.84 -0.06 -2.27 0.00 0.00 179.45 177.12 1sm4 s PHE 80 N -3.10 1.72 0.37 1.91 0.08 -0.73 -4.97 117.98 113.25 1sm4 s PHE 80 Ca 0.03 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.73 1sm4 s PHE 80 Cb 0.09 -1.14 -0.07 0.00 -0.57 0.00 0.00 43.02 41.33 1sm4 s PHE 80 CO 0.73 -0.12 -0.04 1.03 -0.10 0.00 0.00 175.22 176.72 1sm4 s ARG 81 N -0.14 1.89 0.47 0.44 0.52 -1.23 -1.01 118.95 119.89 1sm4 s ARG 81 Ca 0.00 -2.01 0.21 0.00 -0.52 0.00 0.00 55.73 53.41 1sm4 s ARG 81 Cb -0.10 -1.69 1.23 0.00 0.52 0.00 0.00 34.95 34.91 1sm4 s ARG 81 CO 0.01 0.05 1.93 -1.35 0.02 0.00 0.00 175.30 175.97 1sm4 h PRO 82 N 1.90 0.22 -0.48 3.54 0.11 -1.99 -1.81 132.00 133.49 1sm4 h PRO 82 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1sm4 h PRO 82 Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1sm4 h PRO 82 CO 0.75 0.14 0.25 0.87 -0.21 0.00 0.00 178.00 179.80 1sm4 h LYS 83 N 0.22 0.68 -2.44 1.05 1.57 -2.01 -3.37 116.57 112.27 1sm4 h LYS 83 Ca 0.35 -0.09 -0.54 0.00 -1.87 0.00 0.00 60.65 58.50 1sm4 h LYS 83 Cb 1.05 -0.13 -0.37 0.00 0.08 0.00 0.00 32.23 32.86 1sm4 h LYS 83 CO -0.07 0.55 -0.83 -1.83 -0.57 0.00 0.00 179.45 176.69 1sm4 s GLU 84 N -5.80 0.60 0.83 3.15 -1.05 -0.90 -5.14 118.70 110.39 1sm4 s GLU 84 Ca -0.13 -1.33 -0.10 0.00 -0.15 0.00 0.00 54.97 53.26 1sm4 s GLU 84 Cb 0.11 -1.20 0.13 0.00 -0.44 0.00 0.00 34.13 32.74 1sm4 s GLU 84 CO 0.75 -1.23 1.17 -2.14 0.95 0.00 0.00 175.26 174.77 1sm4 s PRO 85 N 1.03 1.41 0.14 -4.83 0.02 -0.73 -3.57 135.00 128.46 1sm4 s PRO 85 Ca 0.19 -0.41 -0.18 0.00 0.02 0.00 0.00 61.00 60.63 1sm4 s PRO 85 Cb -0.19 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.24 1sm4 s PRO 85 CO -0.02 -1.83 0.61 -0.47 -0.33 0.00 0.00 177.00 174.96 1sm4 s TYR 86 N -3.56 3.71 -0.37 6.54 5.04 0.83 -4.86 117.35 124.67 1sm4 s TYR 86 Ca 0.67 1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 56.49 1sm4 s TYR 86 Cb -0.07 -2.50 0.06 0.00 0.35 0.00 0.00 41.96 39.81 1sm4 s TYR 86 CO 0.49 0.47 0.16 0.42 -1.34 0.00 0.00 175.55 175.75 1sm4 s ILE 87 N -1.33 3.82 0.55 3.14 1.09 -1.26 -0.21 121.20 127.00 1sm4 s ILE 87 Ca 0.36 -1.36 0.09 0.00 -1.10 0.00 0.00 60.65 58.63 1sm4 s ILE 87 Cb -0.17 -3.28 0.07 0.00 -1.06 0.00 0.00 42.46 38.01 1sm4 s ILE 87 CO 0.20 -0.35 0.72 -0.83 -0.10 0.00 0.00 174.94 174.57 1sm4 s GLY 88 N 1.70 1.83 -0.03 6.18 0.00 -0.08 -4.86 107.32 112.06 1sm4 s GLY 88 Ca 0.01 -1.99 0.05 0.00 0.00 0.00 0.00 44.72 42.79 1sm4 s GLY 88 CO 0.01 -1.69 -0.18 0.50 0.00 0.00 0.00 173.10 171.73 1sm4 s ARG 89 N -4.58 1.70 -0.10 2.90 1.81 -1.24 -0.88 118.95 118.57 1sm4 s ARG 89 Ca 0.58 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.63 1sm4 s ARG 89 Cb -0.06 -1.55 -0.03 0.00 -0.45 0.00 0.00 34.95 32.86 1sm4 s ARG 89 CO 0.36 0.33 1.31 0.00 -0.68 0.00 0.00 175.30 176.62 1sm4 n LEU 91 N 6.10 1.62 -3.65 0.00 4.77 0.63 -0.10 117.00 126.36 1sm4 n LEU 91 Ca 0.13 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1sm4 n LEU 91 Cb 0.45 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1sm4 n LEU 91 CO 0.57 0.69 0.21 -0.76 -1.33 0.00 0.00 177.39 176.77 1sm4 s LEU 92 N -6.21 0.17 -0.21 2.23 1.43 -1.21 -4.81 118.68 110.06 1sm4 s LEU 92 Ca -0.20 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1sm4 s LEU 92 Cb 0.07 1.85 0.10 0.00 0.03 0.00 0.00 46.19 48.24 1sm4 s LEU 92 CO 0.74 -0.52 0.42 0.21 0.23 0.00 0.00 176.35 177.43 1sm4 s ASN 93 N -1.28 -0.24 -0.01 2.29 2.47 -1.26 -1.48 114.94 115.43 1sm4 s ASN 93 Ca -0.12 0.91 0.00 0.00 0.42 0.00 0.00 52.86 54.07 1sm4 s ASN 93 Cb -0.03 1.37 0.01 0.00 -1.45 0.00 0.00 41.25 41.15 1sm4 s ASN 93 CO 0.07 -0.24 0.01 -0.89 -3.72 0.00 0.00 177.10 172.32 1sm4 s THR 94 N 2.62 0.01 0.03 -5.21 2.01 -0.49 -4.99 115.64 109.62 1sm4 s THR 94 Ca 0.00 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1sm4 s THR 94 Cb -0.12 -0.06 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 1sm4 s THR 94 CO -0.13 0.04 1.19 -0.75 -0.69 0.00 0.00 174.62 174.27 1sm4 s LYS 95 N 0.37 4.42 0.00 4.92 2.20 -1.26 -0.74 119.74 129.64 1sm4 s LYS 95 Ca -0.03 1.72 0.13 0.00 -0.36 0.00 0.00 55.97 57.43 1sm4 s LYS 95 Cb -0.05 -3.41 0.31 0.00 -1.51 0.00 0.00 37.83 33.17 1sm4 s LYS 95 CO -0.01 -0.29 1.22 0.44 -0.36 0.00 0.00 175.35 176.35 1sm4 n ILE 96 N 4.11 0.75 -4.11 5.43 -5.35 -0.41 -4.92 119.36 114.86 1sm4 n ILE 96 Ca 0.09 -0.87 -0.28 0.00 -0.27 0.00 0.00 62.75 61.42 1sm4 n ILE 96 Cb 0.47 0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 39.00 1sm4 n ILE 96 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sm4 s THR 97 N -1.04 4.27 0.46 7.28 -4.23 -1.24 -4.84 115.64 116.30 1sm4 s THR 97 Ca 0.26 -1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 59.48 1sm4 s THR 97 Cb 0.14 -3.13 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 1sm4 s THR 97 CO 0.19 -0.03 1.04 -0.83 -0.54 0.00 0.00 174.62 174.46 1sm4 s GLY 98 N -2.81 2.59 0.66 3.99 0.00 -0.36 -4.91 107.32 106.47 1sm4 s GLY 98 Ca 0.29 0.64 0.34 0.00 0.00 0.00 0.00 44.72 46.00 1sm4 s GLY 98 CO 0.21 1.00 2.06 -0.55 0.00 0.00 0.00 173.10 175.82 1sm4 h ASP 99 N 1.88 0.00 0.29 1.64 3.32 -1.96 0.22 116.42 121.81 1sm4 h ASP 99 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1sm4 h ASP 99 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1sm4 h ASP 99 CO 0.60 0.00 -0.19 -0.90 -1.72 0.00 0.00 179.24 177.03 1sm4 n ASP 100 N -2.94 0.80 -4.77 6.45 3.85 -1.26 -4.92 116.55 113.75 1sm4 n ASP 100 Ca -0.02 -0.75 -0.37 0.00 -0.71 0.00 0.00 54.79 52.94 1sm4 n ASP 100 Cb 0.28 0.05 -0.01 0.00 -1.35 0.00 0.00 41.12 40.09 1sm4 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1sm4 s ALA 101 N -2.49 2.94 -1.77 2.12 0.00 0.06 -4.87 121.76 117.75 1sm4 s ALA 101 Ca 0.26 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1sm4 s ALA 101 Cb 0.20 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1sm4 s ALA 101 CO 0.50 -0.64 0.10 -2.30 0.00 0.00 0.00 175.76 173.42 1sm4 n PRO 102 N -0.58 0.00 0.00 0.00 -0.02 -1.26 -4.68 135.00 128.46 1sm4 n PRO 102 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1sm4 n PRO 102 Cb 0.49 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1sm4 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sm4 n GLY 103 N -0.56 1.67 3.56 -1.23 0.00 -1.26 -5.13 105.19 102.24 1sm4 n GLY 103 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1sm4 n GLY 103 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sm4 s GLU 104 N -2.00 3.03 -0.07 1.61 -1.05 -1.26 -4.92 118.70 114.04 1sm4 s GLU 104 Ca 0.00 -0.53 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 1sm4 s GLU 104 Cb 0.00 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 30.99 1sm4 s GLU 104 CO 0.00 0.54 -0.24 0.99 0.95 0.00 0.00 175.26 177.51 1sm4 s THR 105 N -0.48 2.14 0.07 1.83 2.01 -1.26 -0.87 115.64 119.09 1sm4 s THR 105 Ca 0.07 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.13 1sm4 s THR 105 Cb -0.12 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1sm4 s THR 105 CO 0.02 0.57 -0.18 0.26 -0.69 0.00 0.00 174.62 174.60 1sm4 s TRP 106 N -0.01 2.55 -0.19 4.92 0.52 0.05 -1.29 118.94 125.49 1sm4 s TRP 106 Ca -0.08 -0.26 -0.05 0.00 0.02 0.00 0.00 56.10 55.73 1sm4 s TRP 106 Cb -0.15 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1sm4 s TRP 106 CO 0.05 0.31 0.01 -1.58 0.02 0.00 0.00 176.95 175.76 1sm4 s HIS 107 N -1.02 3.08 0.03 -1.98 2.46 0.08 -1.20 115.29 116.73 1sm4 s HIS 107 Ca 0.16 -0.32 0.03 0.00 0.47 0.00 0.00 55.06 55.40 1sm4 s HIS 107 Cb -0.11 -2.06 -0.02 0.00 -0.13 0.00 0.00 32.58 30.26 1sm4 s HIS 107 CO 0.07 -0.12 -0.09 0.00 -2.47 0.00 0.00 174.74 172.13 1sm4 s MET 108 N 0.77 0.59 -0.11 2.88 0.23 -0.06 -1.39 119.30 122.21 1sm4 s MET 108 Ca 0.01 -0.61 0.02 0.00 -1.03 0.00 0.00 55.69 54.08 1sm4 s MET 108 Cb -0.14 -0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 32.68 1sm4 s MET 108 CO 0.02 0.11 -0.19 0.08 -2.03 0.00 0.00 175.02 173.01 1sm4 s VAL 109 N -0.94 2.51 0.04 5.16 1.01 -0.55 -0.15 120.40 127.48 1sm4 s VAL 109 Ca -0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.15 1sm4 s VAL 109 Cb -0.07 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1sm4 s VAL 109 CO 0.00 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.11 1sm4 s PHE 110 N 0.31 2.55 0.23 5.22 0.08 0.77 -0.27 117.98 126.87 1sm4 s PHE 110 Ca -0.15 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 1sm4 s PHE 110 Cb -0.17 -1.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.73 1sm4 s PHE 110 CO 0.07 0.25 0.91 -1.54 -0.10 0.00 0.00 175.22 174.81 1sm4 s SER 111 N -1.42 7.61 0.00 1.36 1.04 0.59 -1.28 113.70 121.60 1sm4 s SER 111 Ca 0.14 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1sm4 s SER 111 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1sm4 s SER 111 CO 0.05 0.16 0.00 0.35 0.98 0.00 0.00 173.24 174.78 1sm4 n THR 112 N 1.53 0.00 -1.31 2.02 -2.24 0.11 -3.64 114.28 110.76 1sm4 n THR 112 Ca -0.03 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1sm4 n THR 112 Cb 0.47 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 1sm4 n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sm4 n GLU 113 N -0.83 -1.53 -0.51 -0.78 1.02 -1.17 -1.27 120.64 115.57 1sm4 n GLU 113 Ca 0.00 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1sm4 n GLU 113 Cb 0.00 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 1sm4 n GLU 113 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm4 n GLY 114 N -0.09 1.40 0.03 0.62 0.00 -1.26 -4.92 105.19 100.98 1sm4 n GLY 114 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 1sm4 n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sm4 n GLU 115 N -2.00 0.05 -3.79 1.61 -0.58 -0.40 -4.45 120.64 111.08 1sm4 n GLU 115 Ca 0.00 0.23 -0.35 0.00 -0.42 0.00 0.00 57.16 56.62 1sm4 n GLU 115 Cb 0.00 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.18 1sm4 n GLU 115 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1sm4 s ILE 116 N -3.06 3.28 -0.19 -3.67 1.09 -1.26 -5.00 121.20 112.39 1sm4 s ILE 116 Ca 0.08 -2.42 -0.04 0.00 -1.10 0.00 0.00 60.65 57.17 1sm4 s ILE 116 Cb 0.11 -3.23 -0.12 0.00 -1.06 0.00 0.00 42.46 38.16 1sm4 s ILE 116 CO 0.35 -0.74 2.14 -2.65 -0.10 0.00 0.00 174.94 173.93 1sm4 n PRO 117 N 4.15 1.26 -1.56 2.79 -0.02 -1.26 -4.93 135.00 135.43 1sm4 n PRO 117 Ca 0.02 -0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 60.47 1sm4 n PRO 117 Cb 0.40 -1.91 0.08 0.00 -0.02 0.00 0.00 33.50 32.05 1sm4 n PRO 117 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1sm4 s TYR 118 N 2.28 2.87 0.11 6.00 -0.85 -1.26 -4.59 117.35 121.92 1sm4 s TYR 118 Ca 0.36 1.18 0.04 0.00 -0.52 0.00 0.00 57.07 58.13 1sm4 s TYR 118 Cb 0.15 -3.09 -0.04 0.00 0.38 0.00 0.00 41.96 39.37 1sm4 s TYR 118 CO -0.01 -1.69 -0.10 0.50 -1.52 0.00 0.00 175.55 172.73 1sm4 s ARG 119 N -5.14 0.90 0.20 -3.49 3.52 -1.26 -4.72 118.95 108.96 1sm4 s ARG 119 Ca 0.60 -1.24 -0.32 0.00 -0.13 0.00 0.00 55.73 54.64 1sm4 s ARG 119 Cb -0.14 -0.53 -0.14 0.00 -1.56 0.00 0.00 34.95 32.58 1sm4 s ARG 119 CO 0.54 0.07 1.48 0.39 -0.81 0.00 0.00 175.30 176.98 1sm4 n GLU 120 N 0.33 2.08 -0.29 5.12 4.71 -1.26 -2.57 120.64 128.76 1sm4 n GLU 120 Ca -0.14 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1sm4 n GLU 120 Cb 0.59 -2.45 0.00 0.00 -1.01 0.00 0.00 31.44 28.56 1sm4 n GLU 120 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sm4 n GLY 121 N 2.70 0.80 3.88 0.62 0.00 -1.26 -4.17 105.19 107.77 1sm4 n GLY 121 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1sm4 n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sm4 s GLN 122 N -0.71 2.57 0.35 1.61 -0.21 -1.06 -4.27 119.66 117.93 1sm4 s GLN 122 Ca 0.00 -1.49 0.06 0.00 0.02 0.00 0.00 55.36 53.95 1sm4 s GLN 122 Cb 0.00 -2.42 -0.07 0.00 1.00 0.00 0.00 33.01 31.53 1sm4 s GLN 122 CO 0.00 -0.17 -0.01 -1.12 -2.12 0.00 0.00 175.29 171.87 1sm4 s SER 123 N -4.14 3.19 0.07 5.90 0.01 0.01 -1.49 113.70 117.25 1sm4 s SER 123 Ca 0.48 -1.30 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1sm4 s SER 123 Cb -0.04 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1sm4 s SER 123 CO 0.28 -0.43 -0.09 0.27 0.41 0.00 0.00 173.24 173.69 1sm4 s ILE 124 N -2.92 0.73 0.11 1.44 -4.36 -0.80 -0.32 121.20 115.07 1sm4 s ILE 124 Ca 0.34 -1.40 -0.03 0.00 -0.26 0.00 0.00 60.65 59.29 1sm4 s ILE 124 Cb 0.07 -1.04 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 1sm4 s ILE 124 CO 0.16 -0.50 0.32 -0.83 0.24 0.00 0.00 174.94 174.32 1sm4 s GLY 125 N -2.08 2.22 -0.04 6.27 0.00 0.18 -1.55 107.32 112.31 1sm4 s GLY 125 Ca -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1sm4 s GLY 125 CO -0.00 -0.58 -0.17 0.14 0.00 0.00 0.00 173.10 172.48 1sm4 s VAL 126 N -1.59 1.44 -0.30 1.40 1.01 -0.54 -0.90 120.40 120.92 1sm4 s VAL 126 Ca 0.38 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1sm4 s VAL 126 Cb -0.12 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1sm4 s VAL 126 CO 0.25 0.41 0.04 -0.63 0.00 0.00 0.00 175.10 175.17 1sm4 s ILE 127 N -0.04 3.40 0.62 2.22 1.09 -0.76 -1.87 121.20 125.86 1sm4 s ILE 127 Ca -0.02 -1.12 -0.18 0.00 -1.10 0.00 0.00 60.65 58.23 1sm4 s ILE 127 Cb -0.11 -2.87 -0.02 0.00 -1.06 0.00 0.00 42.46 38.40 1sm4 s ILE 127 CO 0.02 -0.05 1.17 0.00 -0.10 0.00 0.00 174.94 175.98 1sm4 s ALA 128 N 1.36 2.49 0.52 9.38 0.00 -1.26 -4.33 121.76 129.92 1sm4 s ALA 128 Ca -0.02 0.85 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1sm4 s ALA 128 Cb -0.19 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1sm4 s ALA 128 CO 0.00 -1.21 1.07 -0.51 0.00 0.00 0.00 175.76 175.12 1sm4 s ASP 129 N -1.92 6.02 0.00 0.00 1.01 -1.26 -4.46 116.67 116.06 1sm4 s ASP 129 Ca 0.74 2.00 0.00 0.00 0.71 0.00 0.00 52.55 56.00 1sm4 s ASP 129 Cb -0.26 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1sm4 s ASP 129 CO 0.35 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1sm4 n GLY 130 N -0.21 -1.59 3.16 0.21 0.00 -1.26 -4.94 105.19 100.56 1sm4 n GLY 130 Ca 0.10 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1sm4 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm4 s VAL 131 N 0.00 0.89 0.00 1.61 -7.23 -1.26 -3.89 120.40 110.52 1sm4 s VAL 131 Ca 0.00 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1sm4 s VAL 131 Cb 0.00 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.69 1sm4 s VAL 131 CO 0.00 -0.52 0.00 -0.90 -0.31 0.00 0.00 175.10 173.37 1sm4 n ASP 132 N 0.71 0.00 0.00 4.85 5.68 0.00 -4.85 116.55 122.94 1sm4 n ASP 132 Ca -0.17 -0.87 0.06 0.00 -0.50 0.00 0.00 54.79 53.31 1sm4 n ASP 132 Cb 0.57 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.81 1sm4 n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sm4 n ALA 133 N -3.00 1.56 0.30 2.12 0.00 -1.26 -2.13 120.51 118.10 1sm4 n ALA 133 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1sm4 n ALA 133 Cb 0.00 -1.19 0.18 0.00 0.00 0.00 0.00 19.45 18.44 1sm4 n ALA 133 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sm4 n ASN 134 N -1.47 3.22 -0.54 0.00 3.02 -1.26 -4.95 115.26 113.28 1sm4 n ASN 134 Ca 0.03 -1.93 -0.07 0.00 -0.03 0.00 0.00 54.58 52.58 1sm4 n ASN 134 Cb 0.13 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1sm4 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sm4 n GLY 135 N 1.29 0.87 3.51 7.41 0.00 -0.91 -5.03 105.19 112.33 1sm4 n GLY 135 Ca 0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1sm4 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm4 s LYS 136 N -2.68 2.42 0.50 1.61 1.02 -1.26 -4.85 119.74 116.49 1sm4 s LYS 136 Ca 0.00 -0.77 -0.21 0.00 0.02 0.00 0.00 55.97 55.01 1sm4 s LYS 136 Cb 0.00 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 1sm4 s LYS 136 CO 0.00 0.60 0.84 -2.30 -0.92 0.00 0.00 175.35 173.57 1sm4 n PRO 137 N 1.92 0.96 -2.05 -1.68 -0.02 -1.26 -0.82 135.00 132.06 1sm4 n PRO 137 Ca -0.16 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 1sm4 n PRO 137 Cb 0.52 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 1sm4 n PRO 137 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1sm4 s HIS 138 N -1.45 3.00 0.73 6.00 3.76 -1.25 -4.73 115.29 121.34 1sm4 s HIS 138 Ca 0.68 1.25 -0.12 0.00 -0.15 0.00 0.00 55.06 56.72 1sm4 s HIS 138 Cb -0.50 -3.76 0.03 0.00 1.11 0.00 0.00 32.58 29.46 1sm4 s HIS 138 CO 0.54 -2.24 1.10 0.15 -0.85 0.00 0.00 174.74 173.43 1sm4 s LYS 139 N -1.29 2.46 0.48 1.40 1.02 -1.26 -4.64 119.74 117.92 1sm4 s LYS 139 Ca 0.53 1.26 -0.21 0.00 0.02 0.00 0.00 55.97 57.57 1sm4 s LYS 139 Cb -0.41 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 1sm4 s LYS 139 CO 0.50 -1.50 1.07 -0.48 -0.92 0.00 0.00 175.35 174.03 1sm4 s LEU 140 N -5.50 3.88 0.04 3.17 0.05 -1.26 -4.66 118.68 114.40 1sm4 s LEU 140 Ca 0.64 2.04 0.08 0.00 0.05 0.00 0.00 54.13 56.94 1sm4 s LEU 140 Cb -0.19 -4.48 -0.03 0.00 -2.05 0.00 0.00 46.19 39.45 1sm4 s LEU 140 CO 0.50 -0.85 -0.22 -0.13 -0.55 0.00 0.00 176.35 175.10 1sm4 s ARG 141 N -3.08 1.97 0.20 1.48 1.81 -0.78 -4.89 118.95 115.65 1sm4 s ARG 141 Ca 0.67 -1.03 -0.13 0.00 -1.72 0.00 0.00 55.73 53.52 1sm4 s ARG 141 Cb -0.20 -2.10 -0.07 0.00 -0.45 0.00 0.00 34.95 32.13 1sm4 s ARG 141 CO 0.24 0.53 0.58 -0.51 -0.68 0.00 0.00 175.30 175.47 1sm4 s LEU 142 N -1.31 4.26 -0.03 2.53 1.43 -1.26 -1.46 118.68 122.84 1sm4 s LEU 142 Ca 0.13 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1sm4 s LEU 142 Cb -0.10 -3.51 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1sm4 s LEU 142 CO 0.03 0.01 0.04 -0.31 0.23 0.00 0.00 176.35 176.36 1sm4 s TYR 143 N -1.64 0.03 0.14 0.29 2.02 -0.60 -4.98 117.35 112.63 1sm4 s TYR 143 Ca 0.43 0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 57.01 1sm4 s TYR 143 Cb -0.13 -0.32 -0.08 0.00 -0.40 0.00 0.00 41.96 41.02 1sm4 s TYR 143 CO 0.20 -0.13 1.41 -1.12 -1.57 0.00 0.00 175.55 174.33 1sm4 s SER 144 N 1.47 6.79 0.10 2.29 0.01 -1.26 -1.91 113.70 121.18 1sm4 s SER 144 Ca -0.04 2.40 -0.31 0.00 1.31 0.00 0.00 55.95 59.31 1sm4 s SER 144 Cb -0.13 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 1sm4 s SER 144 CO -0.03 -0.66 1.43 -0.63 0.41 0.00 0.00 173.24 173.76 1sm4 s ILE 145 N 0.89 3.28 -1.76 1.44 1.01 -0.56 -4.51 121.20 121.00 1sm4 s ILE 145 Ca 0.64 0.87 0.24 0.00 0.00 0.00 0.00 60.65 62.40 1sm4 s ILE 145 Cb -0.38 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.59 1sm4 s ILE 145 CO 0.32 0.05 1.25 0.00 0.00 0.00 0.00 174.94 176.56 1sm4 n ALA 146 N 4.36 3.54 -2.87 9.38 0.00 -0.26 -3.75 120.51 130.91 1sm4 n ALA 146 Ca 0.12 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 1sm4 n ALA 146 Cb 0.42 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 1sm4 n ALA 146 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sm4 s SER 147 N -2.58 5.91 0.94 0.00 1.04 -1.25 -3.58 113.70 114.17 1sm4 s SER 147 Ca 0.19 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.49 1sm4 s SER 147 Cb 0.18 -1.66 0.16 0.00 0.10 0.00 0.00 66.02 64.80 1sm4 s SER 147 CO 0.60 0.06 1.21 -0.94 0.98 0.00 0.00 173.24 175.15 1sm4 s SER 148 N -3.14 3.32 0.51 7.02 1.04 -1.26 -4.69 113.70 116.50 1sm4 s SER 148 Ca 0.33 0.65 0.22 0.00 0.48 0.00 0.00 55.95 57.62 1sm4 s SER 148 Cb -0.11 -0.98 1.31 0.00 0.10 0.00 0.00 66.02 66.34 1sm4 s SER 148 CO 0.26 -2.63 2.01 0.00 0.98 0.00 0.00 173.24 173.86 1sm4 h ALA 149 N -1.56 2.35 0.00 5.32 0.00 -1.88 0.86 119.26 124.34 1sm4 h ALA 149 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1sm4 h ALA 149 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1sm4 h ALA 149 CO 0.52 -0.47 -0.30 -0.07 0.00 0.00 0.00 179.25 178.92 1sm4 h LEU 150 N 0.08 0.00 0.00 0.00 4.07 -1.93 -3.42 115.31 114.11 1sm4 h LEU 150 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1sm4 h LEU 150 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 1sm4 h LEU 150 CO -0.02 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.26 1sm4 n GLY 151 N 1.09 -1.59 0.29 0.83 0.00 0.30 -0.87 105.19 105.24 1sm4 n GLY 151 Ca 0.03 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.63 1sm4 n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sm4 h ASP 152 N 0.00 0.00 0.35 1.61 3.32 -1.89 -0.39 116.42 119.42 1sm4 h ASP 152 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sm4 h ASP 152 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sm4 h ASP 152 CO 0.00 0.01 -0.59 0.49 -1.72 0.00 0.00 179.24 177.42 1sm4 n PHE 153 N -3.92 0.00 -1.35 4.55 3.72 -1.26 -4.97 117.46 114.24 1sm4 n PHE 153 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 1sm4 n PHE 153 Cb 0.09 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 38.40 1sm4 n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sm4 n GLY 154 N 1.48 1.28 0.47 1.37 0.00 -0.16 -4.88 105.19 104.75 1sm4 n GLY 154 Ca 0.06 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.77 1sm4 n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sm4 n ASP 155 N -0.21 2.42 -0.99 1.61 5.75 -1.07 -4.94 116.55 119.12 1sm4 n ASP 155 Ca -0.12 -1.79 -0.13 0.00 -0.01 0.00 0.00 54.79 52.74 1sm4 n ASP 155 Cb 0.43 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.34 1sm4 n ASP 155 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1sm4 n SER 156 N 0.40 -5.44 -0.47 -1.12 7.64 -0.05 -4.86 113.62 109.72 1sm4 n SER 156 Ca 0.08 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.33 1sm4 n SER 156 Cb 0.34 -4.08 0.14 0.00 -1.01 0.00 0.00 64.21 59.60 1sm4 n SER 156 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sm4 n LYS 157 N -1.44 2.73 -4.23 1.43 5.02 -1.26 -3.99 118.16 116.42 1sm4 n LYS 157 Ca -0.13 -2.15 -0.13 0.00 -2.02 0.00 0.00 58.31 53.88 1sm4 n LYS 157 Cb 0.57 -1.35 -0.10 0.00 -0.02 0.00 0.00 35.03 34.13 1sm4 n LYS 157 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sm4 s THR 158 N -1.62 0.42 -0.00 -0.18 -4.23 -1.26 -0.71 115.64 108.06 1sm4 s THR 158 Ca 0.23 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1sm4 s THR 158 Cb 0.16 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1sm4 s THR 158 CO 0.09 -0.29 -0.01 0.54 -0.54 0.00 0.00 174.62 174.40 1sm4 s VAL 159 N -3.84 0.09 0.06 2.29 0.11 -0.40 -4.65 120.40 114.05 1sm4 s VAL 159 Ca 0.29 -0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.40 1sm4 s VAL 159 Cb 0.07 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.80 1sm4 s VAL 159 CO 0.07 0.03 -0.24 -0.44 -3.33 0.00 0.00 175.10 171.19 1sm4 s SER 160 N 0.08 2.88 0.14 3.54 0.01 -1.26 -0.16 113.70 118.92 1sm4 s SER 160 Ca -0.01 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 56.74 1sm4 s SER 160 Cb -0.02 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1sm4 s SER 160 CO -0.00 0.20 -0.19 -0.76 0.41 0.00 0.00 173.24 172.90 1sm4 s LEU 161 N -1.36 2.38 -0.31 2.44 1.43 0.78 -1.10 118.68 122.94 1sm4 s LEU 161 Ca 0.10 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1sm4 s LEU 161 Cb -0.10 -0.81 0.09 0.00 0.03 0.00 0.00 46.19 45.41 1sm4 s LEU 161 CO 0.03 -0.02 0.02 0.00 0.23 0.00 0.00 176.35 176.61 1sm4 s VAL 163 N 1.07 2.75 -0.23 0.00 1.01 -0.34 -4.92 120.40 119.74 1sm4 s VAL 163 Ca 0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1sm4 s VAL 163 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1sm4 s VAL 163 CO -0.10 0.54 0.40 -0.75 0.00 0.00 0.00 175.10 175.19 1sm4 s LYS 164 N 0.31 4.11 -0.18 2.72 2.36 -1.26 -0.77 119.74 127.03 1sm4 s LYS 164 Ca -0.13 0.16 -0.29 0.00 -2.55 0.00 0.00 55.97 53.16 1sm4 s LYS 164 Cb -0.16 -3.59 -0.03 0.00 -1.05 0.00 0.00 37.83 33.00 1sm4 s LYS 164 CO 0.07 -0.15 1.52 0.50 1.55 0.00 0.00 175.35 178.83 1sm4 s ARG 165 N 1.67 3.98 -0.48 4.03 3.52 -0.05 -4.86 118.95 126.76 1sm4 s ARG 165 Ca 0.18 1.73 -0.21 0.00 -0.13 0.00 0.00 55.73 57.30 1sm4 s ARG 165 Cb -0.15 -3.95 0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1sm4 s ARG 165 CO 0.09 -1.06 0.69 -1.17 -0.81 0.00 0.00 175.30 173.04 1sm4 s LEU 166 N 4.50 4.60 -0.12 -0.88 2.96 -1.26 -4.66 118.68 123.83 1sm4 s LEU 166 Ca 0.67 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1sm4 s LEU 166 Cb -0.25 -2.64 0.04 0.00 0.50 0.00 0.00 46.19 43.84 1sm4 s LEU 166 CO 0.26 -0.90 0.03 0.54 -1.32 0.00 0.00 176.35 174.95 1sm4 s VAL 167 N 2.95 0.33 0.00 1.68 0.11 -1.26 0.22 120.40 124.43 1sm4 s VAL 167 Ca 0.21 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1sm4 s VAL 167 Cb -0.16 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1sm4 s VAL 167 CO 0.16 0.04 0.02 -0.72 -3.33 0.00 0.00 175.10 171.27 1sm4 s TYR 168 N 1.97 0.07 0.00 1.54 1.13 -0.43 -4.94 117.35 116.68 1sm4 s TYR 168 Ca 0.03 -0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.55 1sm4 s TYR 168 Cb -0.14 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1sm4 s TYR 168 CO -0.06 -0.09 0.48 2.41 -2.51 0.00 0.00 175.55 175.77 1sm4 n THR 169 N 2.47 0.09 0.00 -3.49 -1.04 -1.26 -1.19 114.28 109.86 1sm4 n THR 169 Ca -0.17 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1sm4 n THR 169 Cb 0.58 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.18 1sm4 n THR 169 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1sm4 n ASN 170 N -0.04 0.00 0.00 8.00 5.15 -1.26 -3.03 115.26 124.08 1sm4 n ASN 170 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1sm4 n ASN 170 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1sm4 n ASN 170 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1sm4 n ASP 171 N 2.88 0.00 -4.24 1.20 5.75 -1.26 -5.15 116.55 115.74 1sm4 n ASP 171 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.61 1sm4 n ASP 171 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1sm4 n ASP 171 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1sm4 s LYS 172 N -0.91 1.48 0.00 0.11 2.47 -1.17 -5.09 119.74 116.62 1sm4 s LYS 172 Ca 0.00 -1.82 0.00 0.00 -1.56 0.00 0.00 55.97 52.59 1sm4 s LYS 172 Cb 0.00 -0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.12 1sm4 s LYS 172 CO 0.00 -0.34 0.00 0.41 0.16 0.00 0.00 175.35 175.58 1sm4 n GLY 173 N -0.51 0.38 3.72 5.54 0.00 -1.26 -4.93 105.19 108.12 1sm4 n GLY 173 Ca -0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1sm4 n GLY 173 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sm4 s GLU 174 N 0.00 4.31 -0.20 1.61 2.12 -1.26 -5.00 118.70 120.28 1sm4 s GLU 174 Ca 0.00 2.11 -0.13 0.00 0.36 0.00 0.00 54.97 57.30 1sm4 s GLU 174 Cb 0.00 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1sm4 s GLU 174 CO 0.00 -0.45 0.27 -2.00 -0.54 0.00 0.00 175.26 172.54 1sm4 s GLU 175 N 1.04 4.17 0.03 4.30 2.12 -1.26 -4.43 118.70 124.66 1sm4 s GLU 175 Ca 0.65 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 56.04 1sm4 s GLU 175 Cb -0.38 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 1sm4 s GLU 175 CO 0.31 0.10 -0.23 0.54 -0.54 0.00 0.00 175.26 175.44 1sm4 s VAL 176 N 0.90 1.81 -0.10 3.70 0.11 -0.34 -4.99 120.40 121.49 1sm4 s VAL 176 Ca 0.14 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1sm4 s VAL 176 Cb -0.13 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1sm4 s VAL 176 CO 0.05 0.33 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.56 1sm4 s LYS 177 N -0.99 3.10 0.01 1.54 1.02 -1.26 -1.32 119.74 121.84 1sm4 s LYS 177 Ca 0.09 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 1sm4 s LYS 177 Cb -0.09 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.43 1sm4 s LYS 177 CO 0.01 0.52 1.61 0.20 -0.92 0.00 0.00 175.35 176.77 1sm4 s GLY 178 N -0.40 1.60 0.10 -3.33 0.00 0.13 -4.93 107.32 100.50 1sm4 s GLY 178 Ca 0.06 1.05 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 1sm4 s GLY 178 CO 0.02 2.88 1.63 -0.24 0.00 0.00 0.00 173.10 177.40 1sm4 h VAL 179 N 5.13 0.39 -0.24 1.40 3.04 -1.97 -1.88 116.25 122.11 1sm4 h VAL 179 Ca -0.41 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.21 1sm4 h VAL 179 Cb 1.19 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 1sm4 h VAL 179 CO 0.93 0.00 -0.14 0.00 -1.01 0.00 0.00 177.57 177.35 1sm4 h SER 181 N 0.24 0.98 0.07 0.00 4.64 -1.89 0.13 113.55 117.71 1sm4 h SER 181 Ca 0.05 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1sm4 h SER 181 Cb 0.66 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1sm4 h SER 181 CO 0.04 0.77 -0.41 0.78 -0.87 0.00 0.00 176.83 177.14 1sm4 h ASN 182 N 1.10 0.47 -0.11 4.97 2.35 -1.32 -0.79 115.58 122.25 1sm4 h ASN 182 Ca 0.29 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1sm4 h ASN 182 Cb -0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1sm4 h ASN 182 CO -0.05 0.83 0.06 0.15 -1.65 0.00 0.00 177.43 176.77 1sm4 h PHE 183 N 0.36 0.11 0.15 1.19 3.57 -0.24 -2.09 116.94 120.00 1sm4 h PHE 183 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sm4 h PHE 183 Cb 0.88 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1sm4 h PHE 183 CO 0.03 0.07 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.03 1sm4 h LEU 184 N 0.13 -0.18 -2.53 0.59 3.38 -0.52 -3.00 115.31 113.19 1sm4 h LEU 184 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sm4 h LEU 184 Cb -0.00 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sm4 h LEU 184 CO -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 1sm4 n ASP 186 N -3.20 1.97 -4.70 0.00 8.00 -0.79 -4.95 116.55 112.88 1sm4 n ASP 186 Ca -0.02 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 1sm4 n ASP 186 Cb 0.14 0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 1sm4 n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sm4 n LEU 187 N 0.40 3.60 -4.56 0.64 4.77 -0.52 -5.00 117.00 116.33 1sm4 n LEU 187 Ca 0.15 1.21 -0.32 0.00 -0.03 0.00 0.00 56.01 57.02 1sm4 n LEU 187 Cb 0.45 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1sm4 n LEU 187 CO 0.19 -0.47 -0.41 -0.54 -1.33 0.00 0.00 177.39 174.82 1sm4 s LYS 188 N -1.90 2.46 0.14 3.23 -0.14 -1.26 -4.85 119.74 117.42 1sm4 s LYS 188 Ca 0.55 -0.77 -0.35 0.00 -1.36 0.00 0.00 55.97 54.05 1sm4 s LYS 188 Cb -0.56 -2.43 -0.15 0.00 -1.68 0.00 0.00 37.83 33.01 1sm4 s LYS 188 CO 0.62 0.59 1.51 -2.30 -0.76 0.00 0.00 175.35 175.01 1sm4 n PRO 189 N 1.64 1.84 0.00 -1.68 -0.02 -1.26 -1.28 135.00 134.25 1sm4 n PRO 189 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1sm4 n PRO 189 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1sm4 n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sm4 n GLY 190 N 3.14 2.97 3.78 -1.23 0.00 0.85 -4.99 105.19 109.71 1sm4 n GLY 190 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1sm4 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm4 s ALA 191 N -2.60 2.60 0.23 4.61 0.00 -0.40 -4.71 121.76 121.49 1sm4 s ALA 191 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1sm4 s ALA 191 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1sm4 s ALA 191 CO 0.00 -0.99 0.47 -0.51 0.00 0.00 0.00 175.76 174.72 1sm4 s ASP 192 N -2.27 6.45 -0.11 0.00 1.01 -1.26 -0.60 116.67 119.89 1sm4 s ASP 192 Ca 0.69 0.61 -0.06 0.00 0.71 0.00 0.00 52.55 54.49 1sm4 s ASP 192 Cb -0.21 -2.10 0.04 0.00 1.01 0.00 0.00 42.92 41.66 1sm4 s ASP 192 CO 0.35 -0.09 0.26 0.54 0.21 0.00 0.00 175.17 176.43 1sm4 s VAL 193 N -1.91 -0.03 -0.20 -1.27 0.11 -0.06 -4.91 120.40 112.13 1sm4 s VAL 193 Ca 0.42 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 59.29 1sm4 s VAL 193 Cb -0.11 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1sm4 s VAL 193 CO 0.28 0.04 0.97 -0.54 -3.33 0.00 0.00 175.10 172.52 1sm4 s LYS 194 N 0.95 4.29 0.01 1.54 1.02 -1.26 -0.90 119.74 125.38 1sm4 s LYS 194 Ca -0.07 1.25 0.07 0.00 0.02 0.00 0.00 55.97 57.25 1sm4 s LYS 194 Cb -0.08 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1sm4 s LYS 194 CO -0.06 -0.51 -0.22 0.42 -0.92 0.00 0.00 175.35 174.06 1sm4 s ILE 195 N 2.76 1.78 0.22 2.17 1.01 0.71 -1.83 121.20 128.02 1sm4 s ILE 195 Ca 0.43 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1sm4 s ILE 195 Cb -0.16 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1sm4 s ILE 195 CO 0.09 0.39 -0.04 0.42 0.00 0.00 0.00 174.94 175.81 1sm4 s THR 196 N -0.64 1.18 0.00 2.92 -4.23 -0.08 -0.12 115.64 114.67 1sm4 s THR 196 Ca 0.09 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1sm4 s THR 196 Cb -0.09 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1sm4 s THR 196 CO 0.00 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1sm4 n GLY 197 N -0.40 0.31 3.74 3.99 0.00 -0.18 -0.65 105.19 112.00 1sm4 n GLY 197 Ca -0.06 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 1sm4 n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sm4 s PRO 198 N 0.00 2.31 0.02 1.61 0.02 -1.26 -0.84 135.00 136.85 1sm4 s PRO 198 Ca 0.00 1.50 0.07 0.00 0.02 0.00 0.00 61.00 62.58 1sm4 s PRO 198 Cb 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 1sm4 s PRO 198 CO 0.00 -1.65 -0.20 0.08 -0.33 0.00 0.00 177.00 174.90 1sm4 s VAL 199 N -2.34 1.61 0.00 3.83 1.01 0.56 -0.06 120.40 125.01 1sm4 s VAL 199 Ca 0.68 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1sm4 s VAL 199 Cb -0.23 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1sm4 s VAL 199 CO 0.47 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1sm4 n GLY 200 N 2.09 2.31 0.00 4.51 0.00 -1.26 -0.81 105.19 112.03 1sm4 n GLY 200 Ca -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1sm4 n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sm4 n LYS 201 N 1.72 5.71 -0.25 1.61 5.02 -1.26 -4.82 118.16 125.89 1sm4 n LYS 201 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1sm4 n LYS 201 Cb 0.00 -0.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.59 1sm4 n LYS 201 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sm4 h GLU 202 N 0.00 0.92 -0.86 1.97 4.57 -1.96 -3.13 114.58 116.09 1sm4 h GLU 202 Ca 0.00 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 1sm4 h GLU 202 Cb 0.00 -0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 28.26 1sm4 h GLU 202 CO 0.00 0.62 0.27 -1.33 -1.18 0.00 0.00 179.01 177.39 1sm4 n MET 203 N -4.59 2.87 -2.36 1.92 2.81 -1.26 -4.90 117.12 111.60 1sm4 n MET 203 Ca 0.06 -2.33 -0.36 0.00 -1.81 0.00 0.00 57.70 53.27 1sm4 n MET 203 Cb 0.02 -1.98 -0.02 0.00 -0.71 0.00 0.00 33.22 30.54 1sm4 n MET 203 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1sm4 s LEU 204 N -2.31 3.94 0.70 4.03 1.43 -1.19 -4.20 118.68 121.09 1sm4 s LEU 204 Ca 0.42 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 1sm4 s LEU 204 Cb 0.34 -4.38 0.02 0.00 0.03 0.00 0.00 46.19 42.21 1sm4 s LEU 204 CO 0.10 -0.89 1.10 -0.04 0.23 0.00 0.00 176.35 176.85 1sm4 s MET 205 N -2.91 2.58 0.46 1.70 -1.94 -1.26 -4.67 119.30 113.26 1sm4 s MET 205 Ca 0.65 1.30 -0.21 0.00 -1.71 0.00 0.00 55.69 55.72 1sm4 s MET 205 Cb -0.24 -1.93 -0.09 0.00 2.01 0.00 0.00 34.83 34.59 1sm4 s MET 205 CO 0.29 -1.41 1.04 -1.25 -0.01 0.00 0.00 175.02 173.68 1sm4 s PRO 206 N -4.42 3.92 0.15 2.03 0.04 -1.26 -0.04 135.00 135.42 1sm4 s PRO 206 Ca 0.65 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1sm4 s PRO 206 Cb -0.19 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1sm4 s PRO 206 CO 0.47 -0.34 1.58 0.87 0.04 0.00 0.00 177.00 179.62 1sm4 h LYS 207 N 1.87 0.91 -6.06 4.56 1.57 -1.73 -3.43 116.57 114.25 1sm4 h LYS 207 Ca -0.49 -0.32 -0.59 0.00 -1.87 0.00 0.00 60.65 57.38 1sm4 h LYS 207 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1sm4 h LYS 207 CO 0.60 0.97 1.43 -3.47 -0.57 0.00 0.00 179.45 178.41 1sm4 n ASP 208 N -4.26 3.31 0.00 0.86 -0.08 -1.26 -4.86 116.55 110.25 1sm4 n ASP 208 Ca 0.01 0.37 0.07 0.00 -1.51 0.00 0.00 54.79 53.73 1sm4 n ASP 208 Cb 0.36 -1.52 0.42 0.00 2.34 0.00 0.00 41.12 42.73 1sm4 n ASP 208 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1sm4 n PRO 209 N 8.42 0.40 -0.11 -0.67 -0.04 -1.26 -2.14 135.00 139.60 1sm4 n PRO 209 Ca 0.29 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1sm4 n PRO 209 Cb 0.41 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.53 1sm4 n PRO 209 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm4 n ASN 210 N -1.08 2.50 -4.82 3.54 3.02 -1.26 -0.21 115.26 116.95 1sm4 n ASN 210 Ca 0.10 -3.09 -0.31 0.00 -0.03 0.00 0.00 54.58 51.25 1sm4 n ASN 210 Cb 0.07 -0.44 0.04 0.00 -0.61 0.00 0.00 39.78 38.84 1sm4 n ASN 210 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sm4 s ALA 211 N -2.88 2.71 -0.38 5.41 0.00 -0.91 -4.47 121.76 121.25 1sm4 s ALA 211 Ca 0.33 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 1sm4 s ALA 211 Cb 0.29 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1sm4 s ALA 211 CO 0.04 -1.13 0.28 0.99 0.00 0.00 0.00 175.76 175.94 1sm4 s THR 212 N -2.96 5.26 -0.24 0.00 2.01 -0.10 -2.45 115.64 117.17 1sm4 s THR 212 Ca 0.59 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1sm4 s THR 212 Cb -0.14 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 1sm4 s THR 212 CO 0.52 -0.17 -0.01 0.54 -0.69 0.00 0.00 174.62 174.81 1sm4 s VAL 213 N 1.73 3.52 -0.27 3.82 0.11 0.15 -0.73 120.40 128.73 1sm4 s VAL 213 Ca 0.06 -0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 1sm4 s VAL 213 Cb -0.18 -2.67 -0.01 0.00 -1.53 0.00 0.00 36.38 31.99 1sm4 s VAL 213 CO 0.10 0.33 0.06 -0.63 -3.33 0.00 0.00 175.10 171.63 1sm4 s ILE 214 N 1.48 4.00 -0.23 7.04 -1.09 0.18 -0.67 121.20 131.91 1sm4 s ILE 214 Ca 0.05 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1sm4 s ILE 214 Cb -0.15 -2.95 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1sm4 s ILE 214 CO -0.02 0.23 0.03 -0.04 -1.23 0.00 0.00 174.94 173.91 1sm4 s MET 215 N 1.54 3.57 -0.32 2.79 -1.94 0.44 -0.34 119.30 125.03 1sm4 s MET 215 Ca 0.05 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1sm4 s MET 215 Cb -0.16 -3.20 0.07 0.00 2.01 0.00 0.00 34.83 33.55 1sm4 s MET 215 CO 0.02 -0.16 0.04 -0.51 -0.01 0.00 0.00 175.02 174.40 1sm4 s LEU 216 N 1.48 4.24 0.12 -0.03 1.43 0.60 -0.62 118.68 125.90 1sm4 s LEU 216 Ca 0.06 -1.50 0.04 0.00 -1.03 0.00 0.00 54.13 51.70 1sm4 s LEU 216 Cb -0.15 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1sm4 s LEU 216 CO 0.01 -0.33 -0.11 -0.83 0.23 0.00 0.00 176.35 175.33 1sm4 s GLY 217 N 1.35 0.96 -0.03 -3.19 0.00 -0.19 -1.30 107.32 104.90 1sm4 s GLY 217 Ca -0.01 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1sm4 s GLY 217 CO -0.02 -1.39 -0.13 -0.51 0.00 0.00 0.00 173.10 171.05 1sm4 s THR 218 N -2.72 1.09 0.00 0.90 -4.23 -0.98 -1.12 115.64 108.58 1sm4 s THR 218 Ca 0.10 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1sm4 s THR 218 Cb -0.01 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1sm4 s THR 218 CO 0.01 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1sm4 n GLY 219 N 3.21 3.27 0.06 3.99 0.00 -1.05 -0.41 105.19 114.27 1sm4 n GLY 219 Ca -0.18 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1sm4 n GLY 219 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sm4 n THR 220 N 0.00 1.00 0.11 2.61 -2.24 -1.26 -2.75 114.28 111.74 1sm4 n THR 220 Ca 0.00 0.29 0.01 0.00 -2.27 0.00 0.00 64.05 62.08 1sm4 n THR 220 Cb 0.00 -1.14 0.06 0.00 -2.10 0.00 0.00 70.33 67.14 1sm4 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm4 n GLY 221 N -0.18 -0.37 0.24 3.38 0.00 0.46 -1.19 105.19 107.52 1sm4 n GLY 221 Ca 0.02 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1sm4 n GLY 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sm4 h ILE 222 N 0.00 0.00 -0.25 -0.61 -0.00 -1.70 -3.38 117.51 111.57 1sm4 h ILE 222 Ca 0.00 -0.69 0.03 0.00 -0.00 0.00 0.00 64.86 64.20 1sm4 h ILE 222 Cb 0.02 1.68 -0.05 0.00 -0.00 0.00 0.00 36.82 38.47 1sm4 h ILE 222 CO 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 178.15 177.81 1sm4 h ALA 223 N 2.03 -0.60 0.00 0.18 0.00 -1.43 -0.11 119.26 119.33 1sm4 h ALA 223 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sm4 h ALA 223 Cb 0.71 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1sm4 h ALA 223 CO 0.00 -0.76 -0.12 -1.00 0.00 0.00 0.00 179.25 177.37 1sm4 h PRO 224 N -0.25 0.00 0.00 0.00 0.13 -1.74 -2.49 132.00 127.65 1sm4 h PRO 224 Ca 0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.03 1sm4 h PRO 224 Cb 0.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1sm4 h PRO 224 CO -0.36 0.12 -0.70 0.74 -0.23 0.00 0.00 178.00 177.57 1sm4 h PHE 225 N 0.00 0.00 -0.44 1.56 0.04 -1.58 -0.33 116.94 116.19 1sm4 h PHE 225 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1sm4 h PHE 225 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1sm4 h PHE 225 CO 0.00 0.70 -0.25 -0.09 -0.60 0.00 0.00 178.31 178.07 1sm4 h ARG 226 N 0.00 0.93 -0.15 1.51 2.43 -0.62 -1.84 114.38 116.65 1sm4 h ARG 226 Ca -0.01 -0.41 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1sm4 h ARG 226 Cb 1.25 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1sm4 h ARG 226 CO 0.09 1.07 -0.00 1.03 -1.51 0.00 0.00 179.97 180.65 1sm4 h SER 227 N 0.80 -0.06 -0.09 -3.80 0.87 -1.07 -1.30 113.55 108.90 1sm4 h SER 227 Ca 0.10 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1sm4 h SER 227 Cb 0.82 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1sm4 h SER 227 CO 0.07 -0.01 0.03 -0.26 -0.53 0.00 0.00 176.83 176.13 1sm4 h PHE 228 N 0.05 0.06 0.00 2.24 -1.00 -0.92 -3.12 116.94 114.24 1sm4 h PHE 228 Ca 0.07 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 1sm4 h PHE 228 Cb 0.08 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1sm4 h PHE 228 CO -0.15 0.03 -0.25 -0.07 -1.61 0.00 0.00 178.31 176.26 1sm4 h LEU 229 N 0.07 0.00 -0.20 1.54 3.38 -1.09 -1.79 115.31 117.23 1sm4 h LEU 229 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sm4 h LEU 229 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sm4 h LEU 229 CO -0.04 0.25 -0.01 -0.50 0.09 0.00 0.00 178.44 178.23 1sm4 h TRP 230 N 0.00 0.39 -0.78 1.13 4.06 -1.18 0.24 115.95 119.81 1sm4 h TRP 230 Ca -0.00 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 1sm4 h TRP 230 Cb 0.50 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 1sm4 h TRP 230 CO 0.00 0.56 0.31 -0.22 -3.56 0.00 0.00 178.44 175.53 1sm4 h LYS 231 N 0.11 1.16 -0.25 0.49 3.64 -1.51 -0.29 116.57 119.92 1sm4 h LYS 231 Ca 0.06 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1sm4 h LYS 231 Cb 0.41 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1sm4 h LYS 231 CO 0.01 0.94 -0.10 0.52 -2.27 0.00 0.00 179.45 178.55 1sm4 h MET 232 N 1.12 0.50 0.00 1.90 2.86 -1.08 -3.36 114.93 116.87 1sm4 h MET 232 Ca 0.26 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1sm4 h MET 232 Cb 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1sm4 h MET 232 CO -0.02 0.75 -0.65 1.19 1.06 0.00 0.00 176.91 179.25 1sm4 n PHE 233 N -4.51 0.00 0.21 -0.22 3.72 0.83 -4.70 117.46 112.79 1sm4 n PHE 233 Ca -0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 1sm4 n PHE 233 Cb 0.33 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.73 1sm4 n PHE 233 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1sm4 n PHE 234 N -1.23 0.00 -4.25 1.38 3.01 -0.28 -4.99 117.46 111.12 1sm4 n PHE 234 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1sm4 n PHE 234 Cb 0.00 -0.35 -0.07 0.00 -0.01 0.00 0.00 39.48 39.05 1sm4 n PHE 234 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1sm4 s GLU 235 N -3.27 2.38 -0.25 -1.08 2.02 -0.30 -5.02 118.70 113.19 1sm4 s GLU 235 Ca -0.04 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 53.69 1sm4 s GLU 235 Cb 0.13 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1sm4 s GLU 235 CO 0.83 0.40 -0.09 0.15 0.02 0.00 0.00 175.26 176.57 1sm4 s LYS 236 N -3.38 2.58 -0.10 1.61 1.02 -1.26 -4.77 119.74 115.43 1sm4 s LYS 236 Ca 0.30 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1sm4 s LYS 236 Cb -0.08 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1sm4 s LYS 236 CO 0.20 -0.46 -0.19 -1.01 -0.92 0.00 0.00 175.35 172.96 1sm4 s HIS 237 N 1.22 2.20 0.20 3.18 3.76 -1.25 -5.00 115.29 119.60 1sm4 s HIS 237 Ca -0.03 -0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 53.89 1sm4 s HIS 237 Cb -0.18 -1.51 0.15 0.00 1.11 0.00 0.00 32.58 32.15 1sm4 s HIS 237 CO -0.06 -0.41 1.64 -0.44 -0.85 0.00 0.00 174.74 174.62 1sm4 h ASP 238 N 6.94 0.90 0.50 1.40 3.45 -2.03 -2.80 116.42 124.78 1sm4 h ASP 238 Ca -0.25 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 56.92 1sm4 h ASP 238 Cb 1.21 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 1sm4 h ASP 238 CO 0.48 1.03 0.00 -0.90 -1.57 0.00 0.00 179.24 178.28 1sm4 n ASP 239 N -4.14 0.00 -3.42 6.45 5.75 -1.26 -4.56 116.55 115.36 1sm4 n ASP 239 Ca 0.01 -0.19 -0.16 0.00 -0.01 0.00 0.00 54.79 54.44 1sm4 n ASP 239 Cb 0.40 -0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 40.12 1sm4 n ASP 239 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1sm4 s TYR 240 N -2.53 -0.46 -0.39 2.11 5.04 -1.06 -5.07 117.35 114.99 1sm4 s TYR 240 Ca 0.29 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1sm4 s TYR 240 Cb 0.19 -0.35 0.11 0.00 0.35 0.00 0.00 41.96 42.27 1sm4 s TYR 240 CO 0.43 -0.78 0.15 0.15 -1.34 0.00 0.00 175.55 174.16 1sm4 s LYS 241 N 2.38 1.32 -0.17 4.97 1.02 -1.26 -3.95 119.74 124.05 1sm4 s LYS 241 Ca 0.09 -1.84 -0.29 0.00 0.02 0.00 0.00 55.97 53.95 1sm4 s LYS 241 Cb -0.15 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1sm4 s LYS 241 CO -0.23 -1.04 1.59 0.12 -0.92 0.00 0.00 175.35 174.87 1sm4 s PHE 242 N 0.73 2.14 -0.11 3.18 5.36 -1.26 -4.81 117.98 123.22 1sm4 s PHE 242 Ca 0.13 0.50 0.16 0.00 -0.96 0.00 0.00 56.93 56.77 1sm4 s PHE 242 Cb -0.21 -3.92 0.24 0.00 -0.34 0.00 0.00 43.02 38.79 1sm4 s PHE 242 CO -0.09 -3.05 1.12 0.09 -1.46 0.00 0.00 175.22 171.84 1sm4 n ASN 243 N 7.94 1.96 -0.31 6.13 3.02 0.71 -5.02 115.26 129.68 1sm4 n ASN 243 Ca 0.18 -2.91 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 1sm4 n ASN 243 Cb 0.45 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1sm4 n ASN 243 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sm4 n GLY 244 N -1.20 1.68 3.40 7.41 0.00 -1.12 -4.83 105.19 110.53 1sm4 n GLY 244 Ca 0.13 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1sm4 n GLY 244 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sm4 s LEU 245 N 0.00 3.04 -0.21 0.99 2.96 -1.03 -4.64 118.68 119.80 1sm4 s LEU 245 Ca 0.00 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1sm4 s LEU 245 Cb 0.00 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1sm4 s LEU 245 CO 0.00 0.08 -0.11 0.00 -1.32 0.00 0.00 176.35 175.00 1sm4 s ALA 246 N 0.88 2.60 -0.24 5.97 0.00 0.45 0.31 121.76 131.72 1sm4 s ALA 246 Ca -0.01 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1sm4 s ALA 246 Cb -0.15 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.53 1sm4 s ALA 246 CO 0.01 -0.49 -0.12 -0.46 0.00 0.00 0.00 175.76 174.70 1sm4 s TRP 247 N 1.37 3.12 -0.22 0.00 -0.11 0.15 -0.77 118.94 122.48 1sm4 s TRP 247 Ca 0.04 -2.16 -0.08 0.00 1.22 0.00 0.00 56.10 55.11 1sm4 s TRP 247 Cb -0.14 -1.90 -0.04 0.00 -1.50 0.00 0.00 33.47 29.88 1sm4 s TRP 247 CO -0.07 -0.86 0.10 -1.17 -4.62 0.00 0.00 176.95 170.33 1sm4 s LEU 248 N 1.15 3.82 -0.24 5.86 2.96 0.32 -0.42 118.68 132.13 1sm4 s LEU 248 Ca -0.06 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1sm4 s LEU 248 Cb -0.19 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.54 1sm4 s LEU 248 CO -0.07 0.09 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.60 1sm4 s PHE 249 N 0.91 3.08 -0.13 5.38 0.40 0.21 -0.50 117.98 127.34 1sm4 s PHE 249 Ca 0.05 -1.76 0.03 0.00 -0.60 0.00 0.00 56.93 54.65 1sm4 s PHE 249 Cb -0.14 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.39 1sm4 s PHE 249 CO 0.03 -0.78 -0.22 -1.17 0.70 0.00 0.00 175.22 173.78 1sm4 s LEU 250 N 1.27 2.09 -0.22 -0.37 2.96 -0.83 -1.02 118.68 122.55 1sm4 s LEU 250 Ca -0.01 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 1sm4 s LEU 250 Cb -0.17 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1sm4 s LEU 250 CO -0.06 0.10 0.01 -0.83 -1.32 0.00 0.00 176.35 174.26 1sm4 s GLY 251 N 0.68 1.72 0.05 7.98 0.00 -0.28 -1.15 107.32 116.32 1sm4 s GLY 251 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1sm4 s GLY 251 CO 0.01 0.34 -0.04 -1.34 0.00 0.00 0.00 173.10 172.07 1sm4 s VAL 252 N 1.23 0.34 0.07 1.40 -7.23 -0.03 -2.53 120.40 113.64 1sm4 s VAL 252 Ca 0.04 -1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 1sm4 s VAL 252 Cb -0.15 -1.21 -0.15 0.00 0.56 0.00 0.00 36.38 35.43 1sm4 s VAL 252 CO 0.01 -0.81 1.29 -0.65 -0.31 0.00 0.00 175.10 174.64 1sm4 h PRO 253 N 3.55 0.61 -5.03 4.82 0.11 -1.92 -1.29 132.00 132.85 1sm4 h PRO 253 Ca -0.34 -0.44 -0.36 0.00 0.11 0.00 0.00 66.00 64.97 1sm4 h PRO 253 Cb 1.17 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1sm4 h PRO 253 CO 0.58 1.06 -0.66 0.95 -0.21 0.00 0.00 178.00 179.72 1sm4 s THR 254 N -3.88 0.96 0.20 -1.15 -4.23 -1.26 -1.15 115.64 105.13 1sm4 s THR 254 Ca -0.12 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.28 1sm4 s THR 254 Cb 0.07 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.75 1sm4 s THR 254 CO 0.84 -0.35 1.76 0.28 -0.54 0.00 0.00 174.62 176.60 1sm4 h SER 255 N 2.52 1.06 0.00 3.99 0.02 -1.96 -1.47 113.55 117.71 1sm4 h SER 255 Ca -0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1sm4 h SER 255 Cb 1.22 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1sm4 h SER 255 CO 0.64 0.97 0.00 -1.54 -1.14 0.00 0.00 176.83 175.76 1sm4 n SER 256 N -4.29 0.00 -0.71 3.07 3.41 -1.26 -1.12 113.62 112.71 1sm4 n SER 256 Ca 0.06 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 1sm4 n SER 256 Cb 0.20 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 63.93 1sm4 n SER 256 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sm4 n SER 257 N -1.37 2.87 -4.56 4.04 7.64 -0.55 -1.23 113.62 120.45 1sm4 n SER 257 Ca 0.00 -1.89 -0.39 0.00 1.01 0.00 0.00 58.87 57.60 1sm4 n SER 257 Cb 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1sm4 n SER 257 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sm4 s LEU 258 N -1.03 3.50 0.28 -3.43 1.43 -0.28 -4.93 118.68 114.22 1sm4 s LEU 258 Ca 0.25 -1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 51.53 1sm4 s LEU 258 Cb 0.14 -2.57 -0.12 0.00 0.03 0.00 0.00 46.19 43.67 1sm4 s LEU 258 CO 0.18 -1.65 1.63 -0.76 0.23 0.00 0.00 176.35 175.99 1sm4 s LEU 259 N 5.64 4.35 -1.32 1.79 1.43 -1.26 -3.07 118.68 126.24 1sm4 s LEU 259 Ca 0.51 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.57 1sm4 s LEU 259 Cb -0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1sm4 s LEU 259 CO -0.05 -0.95 0.00 -1.22 0.23 0.00 0.00 176.35 174.36 1sm4 n TYR 260 N 2.54 -0.87 -0.19 0.29 4.01 -1.26 -4.88 117.16 116.80 1sm4 n TYR 260 Ca 0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.82 1sm4 n TYR 260 Cb 0.37 -2.82 0.04 0.00 -0.31 0.00 0.00 39.34 36.62 1sm4 n TYR 260 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1sm4 h LYS 261 N 0.00 -0.05 -0.80 -0.72 3.64 -1.97 -0.61 116.57 116.07 1sm4 h LYS 261 Ca -0.31 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1sm4 h LYS 261 Cb 1.08 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1sm4 h LYS 261 CO 0.40 -0.03 0.52 1.49 -2.27 0.00 0.00 179.45 179.56 1sm4 h GLU 262 N -0.05 0.70 -0.08 1.90 4.22 -1.89 -0.90 114.58 118.48 1sm4 h GLU 262 Ca 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 1sm4 h GLU 262 Cb 0.46 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1sm4 h GLU 262 CO -0.61 0.47 -0.04 0.93 -2.18 0.00 0.00 179.01 177.57 1sm4 h GLU 263 N 0.72 0.16 -0.14 1.92 5.08 -1.53 -2.47 114.58 118.32 1sm4 h GLU 263 Ca 0.37 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1sm4 h GLU 263 Cb 0.46 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1sm4 h GLU 263 CO -0.14 0.53 -0.13 0.74 -1.00 0.00 0.00 179.01 179.01 1sm4 h PHE 264 N -0.21 0.23 0.00 4.33 0.04 -0.76 -1.58 116.94 118.99 1sm4 h PHE 264 Ca 0.02 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1sm4 h PHE 264 Cb 0.48 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1sm4 h PHE 264 CO 0.07 0.35 -0.70 0.93 -0.60 0.00 0.00 178.31 178.36 1sm4 h GLU 265 N 0.21 0.00 -0.14 1.51 5.08 -1.18 -2.31 114.58 117.75 1sm4 h GLU 265 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1sm4 h GLU 265 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1sm4 h GLU 265 CO 0.02 0.70 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.10 1sm4 h LYS 266 N 0.00 0.31 -0.05 2.33 3.64 -0.88 -2.14 116.57 119.79 1sm4 h LYS 266 Ca -0.01 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.09 1sm4 h LYS 266 Cb 1.35 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1sm4 h LYS 266 CO 0.09 0.67 -0.55 0.52 -2.27 0.00 0.00 179.45 177.91 1sm4 h MET 267 N 0.26 0.14 -0.44 1.90 2.86 -1.13 -2.87 114.93 115.64 1sm4 h MET 267 Ca 0.02 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1sm4 h MET 267 Cb 0.84 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1sm4 h MET 267 CO 0.07 0.66 -0.28 -0.22 1.06 0.00 0.00 176.91 178.20 1sm4 h LYS 268 N 0.11 0.96 0.62 1.72 1.63 -0.85 -1.78 116.57 118.98 1sm4 h LYS 268 Ca -0.00 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 1sm4 h LYS 268 Cb 1.01 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.63 1sm4 h LYS 268 CO 0.08 1.12 -0.30 0.93 -3.45 0.00 0.00 179.45 177.82 1sm4 h GLU 269 N 0.80 -0.81 -0.49 1.90 5.08 -1.33 -2.48 114.58 117.25 1sm4 h GLU 269 Ca 0.09 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1sm4 h GLU 269 Cb 0.86 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 1sm4 h GLU 269 CO 0.08 -0.54 0.16 0.87 -1.00 0.00 0.00 179.01 178.58 1sm4 h LYS 270 N -0.84 0.32 -2.11 2.33 1.57 -1.49 -3.33 116.57 113.01 1sm4 h LYS 270 Ca -0.08 -0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 58.11 1sm4 h LYS 270 Cb 0.65 -0.07 -0.41 0.00 0.08 0.00 0.00 32.23 32.48 1sm4 h LYS 270 CO 0.14 0.21 -0.88 0.00 -0.57 0.00 0.00 179.45 178.35 1sm4 n ALA 271 N -2.43 3.28 -0.01 3.86 0.00 -0.67 -4.96 120.51 119.57 1sm4 n ALA 271 Ca 0.05 -4.07 0.18 0.00 0.00 0.00 0.00 53.44 49.59 1sm4 n ALA 271 Cb 0.20 -0.85 0.64 0.00 0.00 0.00 0.00 19.45 19.45 1sm4 n ALA 271 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sm4 h PRO 272 N 3.71 0.10 0.00 0.00 0.13 -1.57 -1.42 132.00 132.95 1sm4 h PRO 272 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1sm4 h PRO 272 Cb 0.76 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1sm4 h PRO 272 CO 0.65 0.07 -0.57 0.93 -0.23 0.00 0.00 178.00 178.85 1sm4 h GLU 273 N 0.11 0.00 0.00 0.86 3.07 -1.93 -3.37 114.58 113.32 1sm4 h GLU 273 Ca 0.25 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 1sm4 h GLU 273 Cb 0.86 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1sm4 h GLU 273 CO -0.03 0.00 -1.75 0.09 -1.40 0.00 0.00 179.01 175.92 1sm4 n ASN 274 N -2.63 1.39 -4.28 1.42 4.13 -0.90 -4.94 115.26 109.45 1sm4 n ASN 274 Ca 0.02 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.95 1sm4 n ASN 274 Cb 0.51 1.64 -0.15 0.00 -1.54 0.00 0.00 39.78 40.24 1sm4 n ASN 274 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1sm4 s PHE 275 N -3.03 2.81 -0.14 3.10 5.36 -0.59 -0.41 117.98 125.08 1sm4 s PHE 275 Ca -0.06 -0.99 0.01 0.00 -0.96 0.00 0.00 56.93 54.93 1sm4 s PHE 275 Cb 0.10 -1.91 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1sm4 s PHE 275 CO 0.65 -0.46 -0.18 1.03 -1.46 0.00 0.00 175.22 174.81 1sm4 s ARG 276 N 0.84 3.17 -0.13 10.12 0.52 0.05 -4.74 118.95 128.78 1sm4 s ARG 276 Ca -0.04 -0.78 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 1sm4 s ARG 276 Cb -0.15 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.79 1sm4 s ARG 276 CO -0.00 0.06 -0.20 -1.17 0.02 0.00 0.00 175.30 174.01 1sm4 s LEU 277 N 0.69 1.98 -0.12 2.53 2.96 -1.26 -0.52 118.68 124.93 1sm4 s LEU 277 Ca -0.08 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1sm4 s LEU 277 Cb -0.16 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.24 1sm4 s LEU 277 CO 0.02 0.06 -0.06 -1.81 -1.32 0.00 0.00 176.35 173.23 1sm4 s ASP 278 N 0.87 2.27 0.01 3.68 1.01 0.35 -4.99 116.67 119.88 1sm4 s ASP 278 Ca -0.07 -0.36 -0.06 0.00 0.71 0.00 0.00 52.55 52.77 1sm4 s ASP 278 Cb -0.15 -0.82 -0.05 0.00 1.01 0.00 0.00 42.92 42.91 1sm4 s ASP 278 CO -0.02 -0.14 0.26 -0.36 0.21 0.00 0.00 175.17 175.13 1sm4 s PHE 279 N 1.72 3.57 -0.29 4.23 0.08 -1.26 -1.97 117.98 124.06 1sm4 s PHE 279 Ca 0.04 0.55 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 1sm4 s PHE 279 Cb -0.13 -1.97 0.09 0.00 -0.57 0.00 0.00 43.02 40.44 1sm4 s PHE 279 CO -0.08 0.61 0.09 0.00 -0.10 0.00 0.00 175.22 175.73 1sm4 s ALA 280 N -1.32 1.35 -0.60 5.36 0.00 -0.30 -4.94 121.76 121.31 1sm4 s ALA 280 Ca 0.28 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1sm4 s ALA 280 Cb -0.13 -1.51 0.16 0.00 0.00 0.00 0.00 23.12 21.63 1sm4 s ALA 280 CO 0.17 -1.56 0.49 0.08 0.00 0.00 0.00 175.76 174.94 1sm4 s VAL 281 N 1.71 4.61 0.43 0.00 1.01 -1.25 -0.85 120.40 126.06 1sm4 s VAL 281 Ca 0.07 -2.16 0.23 0.00 0.00 0.00 0.00 61.98 60.12 1sm4 s VAL 281 Cb -0.17 -3.96 0.43 0.00 0.00 0.00 0.00 36.38 32.67 1sm4 s VAL 281 CO -0.23 -0.87 1.78 0.77 0.00 0.00 0.00 175.10 176.54 1sm4 h SER 282 N 8.06 0.34 -0.59 3.32 4.64 -1.06 -1.56 113.55 126.70 1sm4 h SER 282 Ca -0.10 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1sm4 h SER 282 Cb 1.04 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1sm4 h SER 282 CO 0.83 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 177.39 1sm4 n ARG 283 N -4.53 3.34 0.00 4.77 1.74 -0.30 -4.06 116.66 117.61 1sm4 n ARG 283 Ca 0.25 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1sm4 n ARG 283 Cb 0.96 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1sm4 n ARG 283 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sm4 n GLU 284 N 1.04 0.00 -3.90 5.56 1.02 -0.65 -4.99 120.64 118.71 1sm4 n GLU 284 Ca 0.23 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1sm4 n GLU 284 Cb 0.78 -0.41 -0.12 0.00 -0.02 0.00 0.00 31.44 31.67 1sm4 n GLU 284 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1sm4 s GLN 285 N 0.00 0.21 0.07 3.49 -0.21 -0.79 -5.04 119.66 117.38 1sm4 s GLN 285 Ca 0.00 -0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 1sm4 s GLN 285 Cb 0.00 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 34.05 1sm4 s GLN 285 CO 0.00 -0.04 0.00 0.95 -2.12 0.00 0.00 175.29 174.09 1sm4 s THR 286 N -0.69 0.19 0.75 -0.19 -4.23 -1.26 -0.96 115.64 109.25 1sm4 s THR 286 Ca -0.08 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1sm4 s THR 286 Cb -0.05 -1.61 0.15 0.00 1.34 0.00 0.00 72.50 72.33 1sm4 s THR 286 CO -0.00 -0.87 1.02 0.54 -0.54 0.00 0.00 174.62 174.77 1sm4 s ASN 287 N -2.94 4.19 0.29 3.99 6.03 -0.06 -4.86 114.94 121.58 1sm4 s ASN 287 Ca 0.10 -0.49 0.03 0.00 -1.03 0.00 0.00 52.86 51.47 1sm4 s ASN 287 Cb 0.08 0.21 0.71 0.00 -3.03 0.00 0.00 41.25 39.22 1sm4 s ASN 287 CO -0.08 -1.98 1.70 -0.08 -2.03 0.00 0.00 177.10 174.63 1sm4 h GLU 288 N -0.60 0.39 0.00 3.55 4.81 -2.01 0.45 114.58 121.17 1sm4 h GLU 288 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1sm4 h GLU 288 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1sm4 h GLU 288 CO 0.37 0.26 0.00 1.63 -0.73 0.00 0.00 179.01 180.54 1sm4 n LYS 289 N -5.04 0.38 -0.68 1.92 5.02 -1.26 -4.84 118.16 113.65 1sm4 n LYS 289 Ca 0.22 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1sm4 n LYS 289 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1sm4 n LYS 289 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sm4 n GLY 290 N -0.02 0.64 3.84 0.72 0.00 0.15 -5.05 105.19 105.46 1sm4 n GLY 290 Ca 0.10 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1sm4 n GLY 290 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sm4 s GLU 291 N -0.51 4.06 0.43 1.61 2.02 -1.25 -4.80 118.70 120.26 1sm4 s GLU 291 Ca 0.00 0.65 -0.26 0.00 0.02 0.00 0.00 54.97 55.38 1sm4 s GLU 291 Cb 0.00 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 1sm4 s GLU 291 CO 0.00 0.35 1.39 0.15 0.02 0.00 0.00 175.26 177.17 1sm4 s LYS 292 N -2.31 3.80 -1.20 1.61 1.02 -1.26 -0.88 119.74 120.52 1sm4 s LYS 292 Ca 0.45 2.35 -0.18 0.00 0.02 0.00 0.00 55.97 58.60 1sm4 s LYS 292 Cb -0.14 -2.71 0.09 0.00 -0.52 0.00 0.00 37.83 34.56 1sm4 s LYS 292 CO 0.20 -0.70 1.57 1.41 -0.92 0.00 0.00 175.35 176.91 1sm4 s MET 293 N -2.36 3.90 0.57 1.68 -2.45 -0.14 -4.77 119.30 115.73 1sm4 s MET 293 Ca 0.59 -1.94 -0.04 0.00 -1.25 0.00 0.00 55.69 53.05 1sm4 s MET 293 Cb -0.42 -5.35 0.01 0.00 1.25 0.00 0.00 34.83 30.32 1sm4 s MET 293 CO 0.54 -2.11 0.86 0.71 1.05 0.00 0.00 175.02 176.08 1sm4 s TYR 294 N 3.69 3.20 0.27 4.11 2.02 -1.26 -2.80 117.35 126.57 1sm4 s TYR 294 Ca 0.48 0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 57.68 1sm4 s TYR 294 Cb 0.01 -2.69 0.57 0.00 -0.40 0.00 0.00 41.96 39.45 1sm4 s TYR 294 CO 0.01 -0.78 1.64 0.97 -1.57 0.00 0.00 175.55 175.83 1sm4 h ILE 295 N -0.09 0.34 0.00 2.71 6.09 -1.91 0.11 117.51 124.76 1sm4 h ILE 295 Ca -0.45 -0.06 -0.07 0.00 -1.37 0.00 0.00 64.86 62.90 1sm4 h ILE 295 Cb 1.26 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 1sm4 h ILE 295 CO 0.60 0.03 -0.36 0.06 -3.07 0.00 0.00 178.15 175.41 1sm4 h GLN 296 N 0.17 0.00 0.00 2.19 -0.00 -1.93 -1.10 115.11 114.44 1sm4 h GLN 296 Ca 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 59.03 1sm4 h GLN 296 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.37 1sm4 h GLN 296 CO -0.65 0.36 -0.50 1.79 -0.00 0.00 0.00 178.83 179.83 1sm4 h THR 297 N 0.00 1.06 -0.05 1.86 1.35 -1.12 -0.92 112.91 115.09 1sm4 h THR 297 Ca -0.00 -1.91 -0.11 0.00 -0.55 0.00 0.00 66.41 63.84 1sm4 h THR 297 Cb 0.68 2.13 0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1sm4 h THR 297 CO 0.05 0.49 -0.41 -0.09 -0.25 0.00 0.00 175.52 175.30 1sm4 h ARG 298 N 0.00 0.37 -0.96 4.72 9.65 -0.86 -3.15 114.38 124.14 1sm4 h ARG 298 Ca -0.00 -0.33 0.09 0.00 -1.10 0.00 0.00 59.98 58.64 1sm4 h ARG 298 Cb 1.09 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.67 1sm4 h ARG 298 CO 0.06 0.98 0.62 0.52 2.80 0.00 0.00 179.97 184.96 1sm4 h MET 299 N -0.14 0.99 -0.40 0.20 2.86 -1.05 -1.41 114.93 115.99 1sm4 h MET 299 Ca -0.04 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1sm4 h MET 299 Cb 1.09 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1sm4 h MET 299 CO 0.08 0.65 0.29 0.00 1.06 0.00 0.00 176.91 179.00 1sm4 h ALA 300 N 1.52 2.36 0.00 6.32 0.00 -1.12 0.82 119.26 129.15 1sm4 h ALA 300 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1sm4 h ALA 300 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sm4 h ALA 300 CO -0.20 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1sm4 n GLN 301 N -4.38 0.94 -0.18 0.00 10.64 -0.53 -2.67 117.38 121.20 1sm4 n GLN 301 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1sm4 n GLN 301 Cb 0.48 -1.01 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 1sm4 n GLN 301 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1sm4 n TYR 302 N -0.51 0.00 -0.30 2.61 4.01 0.23 -4.93 117.16 118.27 1sm4 n TYR 302 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1sm4 n TYR 302 Cb 0.00 -0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.33 1sm4 n TYR 302 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sm4 h ALA 303 N 0.00 1.37 0.32 -0.72 0.00 -1.19 -0.21 119.26 118.84 1sm4 h ALA 303 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sm4 h ALA 303 Cb 1.13 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1sm4 h ALA 303 CO 0.00 -0.39 -0.27 1.49 0.00 0.00 0.00 179.25 180.08 1sm4 h GLU 304 N 0.33 -0.58 -0.52 0.00 4.81 -1.90 -1.33 114.58 115.38 1sm4 h GLU 304 Ca 0.55 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1sm4 h GLU 304 Cb 1.07 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1sm4 h GLU 304 CO -0.57 -0.39 0.25 0.93 -0.73 0.00 0.00 179.01 178.50 1sm4 h GLU 305 N -0.60 0.75 -0.60 1.92 3.07 -1.68 -2.60 114.58 114.84 1sm4 h GLU 305 Ca -0.02 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 1sm4 h GLU 305 Cb 0.53 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1sm4 h GLU 305 CO -0.02 0.62 0.25 -0.07 -1.40 0.00 0.00 179.01 178.40 1sm4 h LEU 306 N 0.70 0.78 -0.45 1.33 3.38 -0.97 -1.06 115.31 119.02 1sm4 h LEU 306 Ca 0.18 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1sm4 h LEU 306 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sm4 h LEU 306 CO -0.02 0.69 -0.54 -0.25 0.09 0.00 0.00 178.44 178.41 1sm4 h TRP 307 N 0.85 0.83 0.56 1.13 2.91 -1.10 -0.18 115.95 120.94 1sm4 h TRP 307 Ca 0.20 -0.29 -0.03 0.00 1.13 0.00 0.00 58.89 59.91 1sm4 h TRP 307 Cb 0.14 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1sm4 h TRP 307 CO 0.01 1.06 -0.27 1.15 -1.03 0.00 0.00 178.44 179.36 1sm4 h THR 308 N 0.52 0.43 -0.86 2.65 2.02 -1.11 -2.95 112.91 113.60 1sm4 h THR 308 Ca 0.01 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.11 1sm4 h THR 308 Cb 1.10 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1sm4 h THR 308 CO 0.11 0.02 0.53 -0.07 0.37 0.00 0.00 175.52 176.48 1sm4 h LEU 309 N -0.85 0.82 -2.35 2.58 3.38 -1.22 -2.35 115.31 115.33 1sm4 h LEU 309 Ca -0.08 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1sm4 h LEU 309 Cb 0.61 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sm4 h LEU 309 CO 0.13 0.51 0.18 0.25 0.09 0.00 0.00 178.44 179.60 1sm4 h LEU 310 N 0.95 0.00 -2.81 1.67 5.85 -0.85 -2.16 115.31 117.95 1sm4 h LEU 310 Ca 0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1sm4 h LEU 310 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1sm4 h LEU 310 CO -0.19 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.20 1sm4 n LYS 311 N -3.49 3.55 -3.75 1.25 2.85 -0.88 -4.91 118.16 112.78 1sm4 n LYS 311 Ca -0.00 -2.50 -0.33 0.00 -1.05 0.00 0.00 58.31 54.43 1sm4 n LYS 311 Cb 0.28 -1.88 -0.05 0.00 -0.65 0.00 0.00 35.03 32.73 1sm4 n LYS 311 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1sm4 s LYS 312 N -1.95 3.58 0.50 -1.58 1.02 -0.81 -5.01 119.74 115.49 1sm4 s LYS 312 Ca 0.44 -0.12 0.24 0.00 0.02 0.00 0.00 55.97 56.56 1sm4 s LYS 312 Cb 0.30 -3.02 1.34 0.00 -0.52 0.00 0.00 37.83 35.93 1sm4 s LYS 312 CO 0.20 0.60 2.05 0.38 -0.92 0.00 0.00 175.35 177.65 1sm4 h ASP 313 N 3.57 0.00 -1.28 2.83 3.04 -1.91 -3.09 116.42 119.59 1sm4 h ASP 313 Ca -0.48 0.00 -0.65 0.00 -3.24 0.00 0.00 57.03 52.65 1sm4 h ASP 313 Cb 1.18 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.13 1sm4 h ASP 313 CO 0.69 0.14 0.22 -0.46 -2.04 0.00 0.00 179.24 177.79 1sm4 n ASN 314 N -3.79 6.44 -4.19 4.15 6.94 -1.26 -2.02 115.26 121.54 1sm4 n ASN 314 Ca -0.02 -3.78 -0.33 0.00 -0.02 0.00 0.00 54.58 50.43 1sm4 n ASN 314 Cb 0.24 -0.75 -0.16 0.00 -2.36 0.00 0.00 39.78 36.75 1sm4 n ASN 314 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1sm4 s THR 315 N -4.96 2.28 -0.08 5.53 2.01 -1.17 -0.92 115.64 118.32 1sm4 s THR 315 Ca 0.55 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1sm4 s THR 315 Cb 0.45 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1sm4 s THR 315 CO -0.13 0.53 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.76 1sm4 s PHE 316 N 0.99 2.22 -0.15 4.92 0.08 0.09 -4.73 117.98 121.40 1sm4 s PHE 316 Ca -0.03 -0.85 -0.03 0.00 0.12 0.00 0.00 56.93 56.14 1sm4 s PHE 316 Cb -0.15 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1sm4 s PHE 316 CO -0.05 -0.34 -0.06 0.08 -0.10 0.00 0.00 175.22 174.75 1sm4 s VAL 317 N 0.34 3.69 -0.05 -0.44 1.01 0.35 -0.64 120.40 124.66 1sm4 s VAL 317 Ca -0.15 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1sm4 s VAL 317 Cb -0.17 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1sm4 s VAL 317 CO 0.07 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 1sm4 s TYR 318 N 0.39 2.49 -0.07 5.22 1.51 0.54 -0.99 117.35 126.44 1sm4 s TYR 318 Ca -0.05 -0.52 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1sm4 s TYR 318 Cb -0.15 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1sm4 s TYR 318 CO 0.03 -0.08 -0.04 1.41 -1.11 0.00 0.00 175.55 175.76 1sm4 s MET 319 N -0.37 1.01 -0.04 -0.62 1.75 -0.32 -0.29 119.30 120.42 1sm4 s MET 319 Ca 0.03 -0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.34 1sm4 s MET 319 Cb -0.12 -1.14 0.02 0.00 2.84 0.00 0.00 34.83 36.43 1sm4 s MET 319 CO 0.02 -0.20 0.11 0.00 -0.65 0.00 0.00 175.02 174.30 1sm4 n GLY 321 N 3.33 -0.01 3.75 0.00 0.00 -1.12 -2.31 105.19 108.83 1sm4 n GLY 321 Ca -0.16 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1sm4 n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sm4 s LEU 322 N 0.00 4.63 0.30 0.99 1.43 -1.26 -0.52 118.68 124.24 1sm4 s LEU 322 Ca 0.00 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1sm4 s LEU 322 Cb 0.00 -3.61 0.76 0.00 0.03 0.00 0.00 46.19 43.37 1sm4 s LEU 322 CO 0.00 0.12 1.65 0.50 0.23 0.00 0.00 176.35 178.85 1sm4 h LYS 323 N 4.34 0.22 -0.93 1.70 3.11 -1.86 -1.88 116.57 121.27 1sm4 h LYS 323 Ca -0.45 -0.01 0.17 0.00 -2.81 0.00 0.00 60.65 57.55 1sm4 h LYS 323 Cb 1.20 -0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 32.30 1sm4 h LYS 323 CO 0.69 0.15 0.59 0.78 -2.81 0.00 0.00 179.45 178.85 1sm4 h GLY 324 N 0.23 1.25 0.76 5.01 0.00 -1.95 -2.88 103.07 105.49 1sm4 h GLY 324 Ca 0.58 -0.28 0.16 0.00 0.00 0.00 0.00 47.33 47.79 1sm4 h GLY 324 CO -0.65 0.03 0.45 0.00 0.00 0.00 0.00 176.54 176.38 1sm4 h MET 325 N 0.63 0.14 0.19 4.80 -0.00 -1.74 -3.23 114.93 115.73 1sm4 h MET 325 Ca 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.18 1sm4 h MET 325 Cb 0.89 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.45 1sm4 h MET 325 CO -0.24 0.09 -0.16 1.49 -0.00 0.00 0.00 176.91 178.10 1sm4 h GLU 326 N 0.15 -0.35 -1.00 -0.10 4.81 -1.70 -2.79 114.58 113.59 1sm4 h GLU 326 Ca 0.31 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1sm4 h GLU 326 Cb 1.04 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1sm4 h GLU 326 CO -0.05 -0.23 0.66 1.96 -0.73 0.00 0.00 179.01 180.62 1sm4 h GLN 327 N -0.36 1.29 -0.84 1.92 1.08 -1.79 -0.93 115.11 115.48 1sm4 h GLN 327 Ca -0.01 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1sm4 h GLN 327 Cb 0.33 -0.29 -0.07 0.00 -0.05 0.00 0.00 27.48 27.40 1sm4 h GLN 327 CO -0.02 0.86 0.50 0.78 -0.95 0.00 0.00 178.83 180.00 1sm4 h GLY 328 N 1.33 1.29 1.34 3.46 0.00 -1.65 0.23 103.07 109.07 1sm4 h GLY 328 Ca 0.38 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1sm4 h GLY 328 CO -0.09 0.20 -0.58 -2.22 0.00 0.00 0.00 176.54 173.85 1sm4 h ILE 329 N 0.89 1.30 -0.83 2.60 1.08 -1.15 -2.95 117.51 118.44 1sm4 h ILE 329 Ca 0.38 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.03 1sm4 h ILE 329 Cb 0.26 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.72 1sm4 h ILE 329 CO -0.21 0.57 0.44 0.44 -0.69 0.00 0.00 178.15 178.71 1sm4 h ASP 330 N 0.52 1.05 -0.22 1.72 3.32 -0.10 -0.54 116.42 122.17 1sm4 h ASP 330 Ca 0.00 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 56.98 1sm4 h ASP 330 Cb 1.16 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1sm4 h ASP 330 CO 0.12 0.86 -0.00 0.44 -1.72 0.00 0.00 179.24 178.93 1sm4 h ASP 331 N 1.16 -0.09 0.05 6.45 3.32 -0.47 -0.64 116.42 126.19 1sm4 h ASP 331 Ca 0.29 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1sm4 h ASP 331 Cb 0.05 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1sm4 h ASP 331 CO -0.04 -0.02 -0.03 0.40 -1.72 0.00 0.00 179.24 177.83 1sm4 h ILE 332 N 0.06 1.07 -0.76 0.35 1.08 -1.28 -3.02 117.51 115.01 1sm4 h ILE 332 Ca 0.10 -0.38 0.08 0.00 -0.39 0.00 0.00 64.86 64.27 1sm4 h ILE 332 Cb 0.13 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1sm4 h ILE 332 CO -0.18 0.10 0.50 0.24 -0.69 0.00 0.00 178.15 178.12 1sm4 h MET 333 N -0.24 0.71 -0.57 2.37 2.86 -0.93 -2.34 114.93 116.79 1sm4 h MET 333 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1sm4 h MET 333 Cb 0.21 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1sm4 h MET 333 CO 0.01 0.47 0.30 0.77 1.06 0.00 0.00 176.91 179.52 1sm4 h SER 334 N 0.73 0.73 -0.82 1.22 0.02 -0.99 0.03 113.55 114.47 1sm4 h SER 334 Ca 0.34 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1sm4 h SER 334 Cb 0.38 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1sm4 h SER 334 CO -0.12 0.63 0.36 0.77 -1.14 0.00 0.00 176.83 177.33 1sm4 h SER 335 N 0.77 1.10 -0.11 3.07 4.64 -1.33 -0.69 113.55 121.00 1sm4 h SER 335 Ca 0.20 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1sm4 h SER 335 Cb 0.08 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1sm4 h SER 335 CO -0.03 0.95 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.78 1sm4 h LEU 336 N 1.18 0.22 -0.77 5.97 4.07 -1.28 -3.07 115.31 121.63 1sm4 h LEU 336 Ca 0.28 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1sm4 h LEU 336 Cb 0.17 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1sm4 h LEU 336 CO -0.03 0.55 0.43 0.00 -1.08 0.00 0.00 178.44 178.31 1sm4 h ALA 337 N 0.68 0.98 -0.61 1.53 0.00 -0.83 -3.02 119.26 117.99 1sm4 h ALA 337 Ca 0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1sm4 h ALA 337 Cb 0.46 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sm4 h ALA 337 CO 0.01 0.49 0.36 0.00 0.00 0.00 0.00 179.25 180.11 1sm4 h ALA 338 N 1.22 0.80 -0.57 0.00 0.00 -1.14 -2.26 119.26 117.32 1sm4 h ALA 338 Ca 0.27 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1sm4 h ALA 338 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1sm4 h ALA 338 CO -0.04 0.07 0.32 0.87 0.00 0.00 0.00 179.25 180.47 1sm4 h LYS 339 N 0.70 0.60 0.00 0.00 1.57 -1.43 -0.94 116.57 117.07 1sm4 h LYS 339 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1sm4 h LYS 339 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1sm4 h LYS 339 CO -0.13 0.40 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 1sm4 n GLU 340 N -4.81 0.85 -2.73 3.15 1.02 -0.97 -4.91 120.64 112.24 1sm4 n GLU 340 Ca 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1sm4 n GLU 340 Cb 0.12 -1.38 0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1sm4 n GLU 340 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm4 n GLY 341 N 0.62 0.57 3.10 0.62 0.00 -0.36 -5.07 105.19 104.68 1sm4 n GLY 341 Ca 0.16 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1sm4 n GLY 341 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sm4 s ILE 342 N -3.04 0.06 0.03 -0.61 -0.00 -0.89 -5.03 121.20 111.72 1sm4 s ILE 342 Ca 0.14 -0.52 -0.28 0.00 -0.00 0.00 0.00 60.65 59.98 1sm4 s ILE 342 Cb -0.06 -0.39 -0.04 0.00 -0.00 0.00 0.00 42.46 41.96 1sm4 s ILE 342 CO 0.17 -0.29 0.91 -0.62 -0.00 0.00 0.00 174.94 175.11 1sm4 s ASP 343 N -1.03 7.33 0.28 4.36 2.15 -1.26 -3.55 116.67 124.96 1sm4 s ASP 343 Ca -0.11 1.61 0.05 0.00 0.43 0.00 0.00 52.55 54.52 1sm4 s ASP 343 Cb -0.06 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.43 1sm4 s ASP 343 CO 0.01 -0.15 1.69 -0.25 -0.17 0.00 0.00 175.17 176.30 1sm4 h TRP 344 N 6.31 0.38 -0.21 -5.34 -0.00 -1.91 -1.26 115.95 113.92 1sm4 h TRP 344 Ca -0.42 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.36 1sm4 h TRP 344 Cb 1.21 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 30.28 1sm4 h TRP 344 CO 0.66 0.67 0.08 0.00 -0.00 0.00 0.00 178.44 179.86 1sm4 h ALA 345 N 1.32 0.28 0.04 2.65 0.00 -1.98 0.55 119.26 122.11 1sm4 h ALA 345 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sm4 h ALA 345 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1sm4 h ALA 345 CO 0.06 -0.13 -0.02 -0.44 0.00 0.00 0.00 179.25 178.73 1sm4 h ASP 346 N 0.19 -0.05 -0.56 0.00 3.32 -1.97 -2.08 116.42 115.28 1sm4 h ASP 346 Ca 0.07 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1sm4 h ASP 346 Cb 0.18 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1sm4 h ASP 346 CO -0.01 0.11 0.33 0.22 -1.72 0.00 0.00 179.24 178.17 1sm4 h TYR 347 N -0.20 0.61 -0.83 4.55 3.20 -1.06 -2.38 116.97 120.86 1sm4 h TYR 347 Ca -0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1sm4 h TYR 347 Cb 0.18 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1sm4 h TYR 347 CO -0.03 0.34 0.40 -0.22 -1.64 0.00 0.00 178.16 177.01 1sm4 h LYS 348 N 0.65 1.20 -0.17 1.82 3.64 0.17 -1.36 116.57 122.52 1sm4 h LYS 348 Ca 0.23 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1sm4 h LYS 348 Cb 0.06 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1sm4 h LYS 348 CO -0.12 0.93 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.64 1sm4 h LYS 349 N 1.19 -0.13 -0.66 1.90 3.64 -0.89 -0.26 116.57 121.36 1sm4 h LYS 349 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1sm4 h LYS 349 Cb 0.12 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1sm4 h LYS 349 CO -0.04 -0.09 0.42 0.37 -2.27 0.00 0.00 179.45 177.85 1sm4 h GLN 350 N -0.13 0.88 -0.87 1.90 5.75 -1.04 -1.25 115.11 120.34 1sm4 h GLN 350 Ca 0.11 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1sm4 h GLN 350 Cb 0.29 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1sm4 h GLN 350 CO -0.25 0.60 0.58 -0.07 -2.65 0.00 0.00 178.83 177.03 1sm4 h LEU 351 N 0.90 0.99 -0.36 -2.39 3.38 -0.48 0.21 115.31 117.56 1sm4 h LEU 351 Ca 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1sm4 h LEU 351 Cb -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1sm4 h LEU 351 CO -0.05 0.71 0.05 0.11 0.09 0.00 0.00 178.44 179.36 1sm4 h LYS 352 N 1.17 0.59 -0.34 1.13 1.57 -0.58 0.13 116.57 120.24 1sm4 h LYS 352 Ca 0.32 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1sm4 h LYS 352 Cb -0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1sm4 h LYS 352 CO -0.07 0.67 0.15 0.87 -0.57 0.00 0.00 179.45 180.50 1sm4 h LYS 353 N 0.43 0.47 -0.42 3.15 1.79 -0.43 -1.35 116.57 120.21 1sm4 h LYS 353 Ca 0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1sm4 h LYS 353 Cb 0.37 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1sm4 h LYS 353 CO 0.01 0.38 0.00 0.00 -1.08 0.00 0.00 179.45 178.76 1sm4 n ALA 354 N -2.48 2.59 -1.36 3.86 0.00 -0.01 -4.90 120.51 118.21 1sm4 n ALA 354 Ca 0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1sm4 n ALA 354 Cb 0.13 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1sm4 n ALA 354 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sm4 n GLU 355 N 0.38 -1.37 -0.04 0.00 1.02 -0.51 -4.05 120.64 116.07 1sm4 n GLU 355 Ca 0.11 0.91 0.11 0.00 -0.02 0.00 0.00 57.16 58.27 1sm4 n GLU 355 Cb 0.35 -5.16 0.12 0.00 -0.02 0.00 0.00 31.44 26.72 1sm4 n GLU 355 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sm4 n GLN 356 N -1.62 2.25 -3.61 3.49 6.02 0.42 -4.71 117.38 119.62 1sm4 n GLN 356 Ca -0.12 -1.95 -0.29 0.00 -0.01 0.00 0.00 57.00 54.62 1sm4 n GLN 356 Cb 0.53 -1.45 -0.14 0.00 1.02 0.00 0.00 30.24 30.20 1sm4 n GLN 356 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1sm4 s TRP 357 N -1.82 1.08 -0.22 1.08 -0.11 -1.02 -0.49 118.94 117.44 1sm4 s TRP 357 Ca 0.29 -1.54 -0.03 0.00 1.22 0.00 0.00 56.10 56.04 1sm4 s TRP 357 Cb 0.20 -1.30 -0.00 0.00 -1.50 0.00 0.00 33.47 30.87 1sm4 s TRP 357 CO 0.29 -0.84 -0.06 -0.80 -4.62 0.00 0.00 176.95 170.92 1sm4 s ASN 358 N 1.47 4.15 -0.10 5.86 0.01 -0.16 -4.38 114.94 121.78 1sm4 s ASN 358 Ca 0.13 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 1sm4 s ASN 358 Cb -0.19 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 1sm4 s ASN 358 CO -0.19 -0.02 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.48 1sm4 s VAL 359 N 1.45 2.40 -0.48 1.60 1.01 -1.26 -1.17 120.40 123.95 1sm4 s VAL 359 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1sm4 s VAL 359 Cb -0.14 -1.95 0.19 0.00 0.00 0.00 0.00 36.38 34.48 1sm4 s VAL 359 CO -0.05 0.55 0.42 1.21 0.00 0.00 0.00 175.10 177.24 1sm4 n GLU 360 N 3.44 0.73 -4.42 2.72 4.07 0.05 -4.99 120.64 122.24 1sm4 n GLU 360 Ca -0.19 -3.53 -0.32 0.00 -0.06 0.00 0.00 57.16 53.07 1sm4 n GLU 360 Cb 0.53 -1.75 -0.10 0.00 -0.06 0.00 0.00 31.44 30.05 1sm4 n GLU 360 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1sm4 s VAL 361 N -0.58 3.65 0.00 6.31 -7.23 -1.26 -2.80 120.40 118.48 1sm4 s VAL 361 Ca 0.32 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1sm4 s VAL 361 Cb 0.05 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1sm4 s VAL 361 CO -0.17 0.35 0.07 0.00 -0.31 0.00 0.00 175.10 175.04