#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxt s PHE 79 N 0.00 -0.32 -0.27 1.61 5.36 -1.26 -4.91 117.98 118.19 1rxt s PHE 79 Ca 0.00 0.61 0.09 0.00 -0.96 0.00 0.00 56.93 56.67 1rxt s PHE 79 Cb 0.00 0.19 0.30 0.00 -0.34 0.00 0.00 43.02 43.17 1rxt s PHE 79 CO 0.00 -0.16 1.26 2.41 -1.46 0.00 0.00 175.22 177.27 1rxt n THR 80 N 3.74 0.00 -1.09 0.12 -1.04 -1.26 -5.14 114.28 109.61 1rxt n THR 80 Ca -0.15 -0.80 -0.29 0.00 -2.04 0.00 0.00 64.05 60.77 1rxt n THR 80 Cb 0.56 0.86 0.20 0.00 -1.82 0.00 0.00 70.33 70.13 1rxt n THR 80 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1rxt s TRP 81 N 0.10 1.80 0.18 -1.42 0.52 -1.26 -5.12 118.94 113.74 1rxt s TRP 81 Ca 0.08 0.92 -0.21 0.00 0.02 0.00 0.00 56.10 56.91 1rxt s TRP 81 Cb 0.32 -3.28 0.05 0.00 -1.15 0.00 0.00 33.47 29.42 1rxt s TRP 81 CO -0.09 -3.18 0.59 -0.51 0.02 0.00 0.00 176.95 173.78 1rxt s ASP 82 N -3.42 -0.44 0.00 2.95 1.01 -1.26 -5.02 116.67 110.49 1rxt s ASP 82 Ca 0.66 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1rxt s ASP 82 Cb -0.18 0.61 0.00 0.00 1.01 0.00 0.00 42.92 44.36 1rxt s ASP 82 CO 0.58 -1.04 0.00 0.00 0.21 0.00 0.00 175.17 174.92 1rxt n ALA 83 N -0.37 0.00 -3.46 5.23 0.00 -1.16 -4.78 120.51 115.97 1rxt n ALA 83 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1rxt n ALA 83 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1rxt n ALA 83 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rxt s LEU 84 N 0.00 -0.49 -0.30 0.00 2.96 -1.26 -4.02 118.68 115.57 1rxt s LEU 84 Ca 0.00 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 1rxt s LEU 84 Cb 0.00 2.38 0.18 0.00 0.50 0.00 0.00 46.19 49.25 1rxt s LEU 84 CO 0.00 -0.84 1.17 -1.81 -1.32 0.00 0.00 176.35 173.55 1rxt s ASP 85 N -2.65 -0.26 0.00 3.68 1.11 -1.06 -4.64 116.67 112.85 1rxt s ASP 85 Ca 0.03 0.37 0.00 0.00 0.18 0.00 0.00 52.55 53.12 1rxt s ASP 85 Cb -0.01 1.27 0.00 0.00 1.07 0.00 0.00 42.92 45.25 1rxt s ASP 85 CO -0.11 -0.05 0.00 0.00 1.18 0.00 0.00 175.17 176.19 1rxt n LEU 86 N 4.46 0.00 0.00 1.23 -0.00 -1.26 -4.81 117.00 116.62 1rxt n LEU 86 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1rxt n LEU 86 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1rxt n LEU 86 CO -0.03 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 177.97 1rxt n GLY 87 N -1.11 2.05 3.74 1.47 0.00 -1.26 -4.87 105.19 105.21 1rxt n GLY 87 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1rxt n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rxt n ASP 88 N 3.93 3.56 0.27 1.61 4.64 -1.26 -4.86 116.55 124.44 1rxt n ASP 88 Ca 0.00 1.18 -0.12 0.00 -1.38 0.00 0.00 54.79 54.47 1rxt n ASP 88 Cb 0.00 -1.57 -0.06 0.00 -1.04 0.00 0.00 41.12 38.45 1rxt n ASP 88 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1rxt h ARG 89 N 3.80 -0.74 -0.85 -0.67 2.47 -1.99 -0.87 114.38 115.54 1rxt h ARG 89 Ca -0.48 0.05 0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1rxt h ARG 89 Cb 1.24 0.17 -0.14 0.00 -1.65 0.00 0.00 29.97 29.59 1rxt h ARG 89 CO 0.71 -0.49 0.10 0.78 0.56 0.00 0.00 179.97 181.63 1rxt h GLY 90 N -0.76 1.11 0.00 0.04 0.00 -2.01 -1.99 103.07 99.46 1rxt h GLY 90 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1rxt h GLY 90 CO 0.07 -0.36 0.00 -0.62 0.00 0.00 0.00 176.54 175.63 1rxt n VAL 91 N -5.32 0.00 -0.18 4.60 0.31 -1.19 -3.55 118.33 113.00 1rxt n VAL 91 Ca 0.18 0.81 0.11 0.00 -0.01 0.00 0.00 64.34 65.43 1rxt n VAL 91 Cb 0.60 -1.58 0.20 0.00 -0.91 0.00 0.00 33.84 32.16 1rxt n VAL 91 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1rxt n LEU 92 N -1.05 0.02 0.06 7.52 -0.00 -0.34 -0.81 117.00 122.40 1rxt n LEU 92 Ca 0.00 0.89 -0.03 0.00 -0.00 0.00 0.00 56.01 56.86 1rxt n LEU 92 Cb 0.00 -0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 43.05 1rxt n LEU 92 CO 0.00 -0.93 0.50 0.11 -0.00 0.00 0.00 177.39 177.08 1rxt h LYS 93 N 0.00 -0.18 -0.38 1.96 1.79 -1.46 -1.01 116.57 117.29 1rxt h LYS 93 Ca 0.36 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.95 1rxt h LYS 93 Cb 0.83 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 1rxt h LYS 93 CO -0.47 -0.12 0.58 1.05 -1.08 0.00 0.00 179.45 179.42 1rxt h GLU 94 N -0.19 0.00 0.14 3.15 4.11 -1.02 0.93 114.58 121.71 1rxt h GLU 94 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1rxt h GLU 94 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rxt h GLU 94 CO -0.00 0.00 -0.07 1.25 0.07 0.00 0.00 179.01 180.26 1rxt h LEU 95 N 0.00 -0.16 -0.85 3.06 5.85 -0.69 -2.25 115.31 120.27 1rxt h LEU 95 Ca 0.18 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rxt h LEU 95 Cb 1.34 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1rxt h LEU 95 CO -0.00 0.27 0.00 0.10 -0.34 0.00 0.00 178.44 178.47 1rxt h TYR 96 N -0.63 0.00 -0.66 1.25 -0.00 0.35 -1.25 116.97 116.03 1rxt h TYR 96 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.65 1rxt h TYR 96 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.18 1rxt h TYR 96 CO 0.06 0.00 0.19 1.15 -0.00 0.00 0.00 178.16 179.55 1rxt h THR 97 N 0.00 1.26 0.01 -0.90 2.02 -0.66 0.31 112.91 114.94 1rxt h THR 97 Ca 0.00 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1rxt h THR 97 Cb 0.42 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1rxt h THR 97 CO 0.00 0.35 -0.00 0.25 0.37 0.00 0.00 175.52 176.48 1rxt h LEU 98 N 0.98 -0.01 -2.18 2.58 5.85 -0.64 -2.74 115.31 119.15 1rxt h LEU 98 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1rxt h LEU 98 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1rxt h LEU 98 CO -0.00 -0.01 0.17 -0.07 -0.34 0.00 0.00 178.44 178.19 1rxt h LEU 99 N -0.01 0.00 -0.32 2.25 -0.00 -1.50 -2.24 115.31 113.49 1rxt h LEU 99 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1rxt h LEU 99 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1rxt h LEU 99 CO 0.00 0.00 0.18 -1.13 -0.00 0.00 0.00 178.44 177.49 1rxt h ASN 100 N 0.00 0.41 -1.30 -0.43 -0.73 -0.06 -3.19 115.58 110.27 1rxt h ASN 100 Ca 0.00 -0.09 -0.53 0.00 1.87 0.00 0.00 56.30 57.55 1rxt h ASN 100 Cb 0.33 -0.10 -0.42 0.00 0.27 0.00 0.00 38.32 38.40 1rxt h ASN 100 CO 0.00 0.38 -0.85 -0.62 -0.37 0.00 0.00 177.43 175.98 1rxt n GLU 101 N -4.79 2.94 0.00 6.67 4.71 -0.88 -4.70 120.64 124.59 1rxt n GLU 101 Ca -0.01 -4.19 0.00 0.00 -0.01 0.00 0.00 57.16 52.95 1rxt n GLU 101 Cb 0.08 -2.03 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 1rxt n GLU 101 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1rxt n ASN 102 N -0.42 -0.04 -4.48 1.62 4.13 -1.00 -4.76 115.26 110.31 1rxt n ASN 102 Ca 0.32 0.01 -0.12 0.00 1.68 0.00 0.00 54.58 56.48 1rxt n ASN 102 Cb 0.73 0.26 -0.10 0.00 -1.54 0.00 0.00 39.78 39.13 1rxt n ASN 102 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rxt n TYR 103 N -2.52 0.76 -4.06 3.10 9.36 -1.21 -4.86 117.16 117.73 1rxt n TYR 103 Ca 0.00 -0.13 -0.23 0.00 3.32 0.00 0.00 57.90 60.87 1rxt n TYR 103 Cb 0.00 -2.25 -0.04 0.00 -0.63 0.00 0.00 39.34 36.42 1rxt n TYR 103 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1rxt s VAL 104 N 14.41 4.70 -0.22 2.97 1.01 -1.26 -3.81 120.40 138.20 1rxt s VAL 104 Ca 0.70 -1.19 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1rxt s VAL 104 Cb -0.05 -3.51 0.29 0.00 0.00 0.00 0.00 36.38 33.11 1rxt s VAL 104 CO 0.16 -0.27 1.34 -1.84 0.00 0.00 0.00 175.10 174.48 1rxt n GLU 105 N -1.00 0.92 -2.04 2.72 -0.00 -1.26 -5.01 120.64 114.97 1rxt n GLU 105 Ca -0.08 -1.32 -0.18 0.00 -0.00 0.00 0.00 57.16 55.58 1rxt n GLU 105 Cb 0.57 0.30 0.09 0.00 -0.00 0.00 0.00 31.44 32.40 1rxt n GLU 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1rxt n ASP 106 N -0.94 0.96 0.00 -1.84 8.00 -1.25 -5.01 116.55 116.46 1rxt n ASP 106 Ca -0.19 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1rxt n ASP 106 Cb 0.83 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1rxt n ASP 106 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rxt n ASP 107 N -2.98 0.05 -0.24 -2.24 10.43 -1.26 -5.00 116.55 115.31 1rxt n ASP 107 Ca 0.12 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.53 1rxt n ASP 107 Cb 0.44 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.57 1rxt n ASP 107 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1rxt h ASP 108 N 0.00 -0.02 -0.24 -2.24 -0.00 -2.01 -3.41 116.42 108.50 1rxt h ASP 108 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 1rxt h ASP 108 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1rxt h ASP 108 CO 0.00 -0.04 0.00 -0.46 -0.00 0.00 0.00 179.24 178.74 1rxt n ASN 109 N -5.17 -0.29 -3.43 4.15 0.23 -1.26 -5.04 115.26 104.46 1rxt n ASN 109 Ca 0.13 -0.05 -0.24 0.00 -0.53 0.00 0.00 54.58 53.89 1rxt n ASN 109 Cb 0.44 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.03 1rxt n ASN 109 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1rxt s MET 110 N -0.57 0.55 -0.29 -3.83 1.00 -1.26 -5.04 119.30 109.86 1rxt s MET 110 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 55.69 54.41 1rxt s MET 110 Cb 0.00 -1.05 0.16 0.00 0.00 0.00 0.00 34.83 33.94 1rxt s MET 110 CO 0.00 -1.19 1.18 -0.59 0.00 0.00 0.00 175.02 174.43 1rxt s PHE 111 N 1.32 -0.30 0.33 -0.03 -0.12 -1.26 -4.14 117.98 113.78 1rxt s PHE 111 Ca 0.17 0.67 0.03 0.00 -0.05 0.00 0.00 56.93 57.75 1rxt s PHE 111 Cb -0.19 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 1rxt s PHE 111 CO -0.04 -0.15 0.08 1.03 -0.05 0.00 0.00 175.22 176.09 1rxt s ARG 112 N 0.54 1.66 -0.37 1.99 1.81 -1.26 -3.90 118.95 119.42 1rxt s ARG 112 Ca 0.00 -1.94 -0.28 0.00 -1.72 0.00 0.00 55.73 51.80 1rxt s ARG 112 Cb -0.04 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.72 1rxt s ARG 112 CO -0.12 -0.26 1.89 -0.06 -0.68 0.00 0.00 175.30 176.08 1rxt s PHE 113 N -3.36 1.67 -0.15 -0.53 2.99 -1.25 -0.56 117.98 116.78 1rxt s PHE 113 Ca 0.34 0.70 -0.29 0.00 0.00 0.00 0.00 56.93 57.68 1rxt s PHE 113 Cb 0.07 -4.06 -0.00 0.00 0.00 0.00 0.00 43.02 39.03 1rxt s PHE 113 CO 0.15 -2.95 1.04 0.34 -0.00 0.00 0.00 175.22 173.80 1rxt s ASP 114 N 7.03 7.17 -0.25 1.36 -1.08 -1.08 -4.61 116.67 125.21 1rxt s ASP 114 Ca 0.81 1.50 -0.11 0.00 -0.52 0.00 0.00 52.55 54.23 1rxt s ASP 114 Cb -0.22 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 1rxt s ASP 114 CO 0.31 -0.55 0.20 -0.31 0.52 0.00 0.00 175.17 175.34 1rxt s TYR 115 N 2.54 3.29 0.43 -5.34 1.51 -1.26 -4.50 117.35 114.02 1rxt s TYR 115 Ca 0.47 0.24 -0.25 0.00 -1.01 0.00 0.00 57.07 56.52 1rxt s TYR 115 Cb -0.18 -2.34 -0.08 0.00 -0.11 0.00 0.00 41.96 39.25 1rxt s TYR 115 CO 0.13 -0.02 1.33 0.45 -1.11 0.00 0.00 175.55 176.33 1rxt s SER 116 N 1.28 6.14 0.16 2.29 0.15 -1.26 -4.91 113.70 117.55 1rxt s SER 116 Ca 0.09 2.71 -0.16 0.00 0.70 0.00 0.00 55.95 59.29 1rxt s SER 116 Cb -0.14 -2.64 0.10 0.00 -1.71 0.00 0.00 66.02 61.62 1rxt s SER 116 CO 0.07 -0.98 1.71 -0.65 1.20 0.00 0.00 173.24 174.59 1rxt h PRO 117 N 2.49 0.14 0.03 5.44 0.11 -1.97 -3.06 132.00 135.18 1rxt h PRO 117 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rxt h PRO 117 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rxt h PRO 117 CO 0.62 0.09 -0.02 1.49 -0.21 0.00 0.00 178.00 179.98 1rxt h GLU 118 N 0.15 -0.04 -0.69 1.05 4.57 -1.95 -3.36 114.58 114.30 1rxt h GLU 118 Ca 0.19 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.47 1rxt h GLU 118 Cb 0.25 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.74 1rxt h GLU 118 CO -0.28 0.64 -0.27 0.34 -1.18 0.00 0.00 179.01 178.26 1rxt n PHE 119 N -4.74 0.01 -0.30 0.92 7.35 -1.19 0.83 117.46 120.34 1rxt n PHE 119 Ca -0.08 0.85 -0.06 0.00 -0.76 0.00 0.00 57.45 57.40 1rxt n PHE 119 Cb 0.34 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.41 1rxt n PHE 119 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1rxt h LEU 120 N 0.00 -1.54 -1.71 -2.13 3.38 -1.68 0.63 115.31 112.25 1rxt h LEU 120 Ca 0.24 0.28 0.14 0.00 0.09 0.00 0.00 57.88 58.62 1rxt h LEU 120 Cb 0.41 0.74 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1rxt h LEU 120 CO -0.68 -0.30 0.44 -0.07 0.09 0.00 0.00 178.44 177.92 1rxt h LEU 121 N -0.11 0.28 -1.02 1.67 4.07 0.25 2.32 115.31 122.76 1rxt h LEU 121 Ca 0.24 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 1rxt h LEU 121 Cb 0.55 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1rxt h LEU 121 CO -0.83 0.15 -0.24 -0.25 -1.08 0.00 0.00 178.44 176.19 1rxt h TRP 122 N 0.30 0.45 0.02 1.13 7.01 0.55 -2.18 115.95 123.24 1rxt h TRP 122 Ca 0.31 -0.09 -0.37 0.00 2.11 0.00 0.00 58.89 60.85 1rxt h TRP 122 Cb 0.81 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 1rxt h TRP 122 CO -0.00 0.62 -2.09 0.00 -2.79 0.00 0.00 178.44 174.18 1rxt n ALA 123 N -2.48 1.08 0.85 2.65 0.00 0.53 -4.44 120.51 118.70 1rxt n ALA 123 Ca -0.00 -0.84 0.10 0.00 0.00 0.00 0.00 53.44 52.69 1rxt n ALA 123 Cb 0.39 -0.26 0.47 0.00 0.00 0.00 0.00 19.45 20.05 1rxt n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rxt n LEU 124 N -3.94 0.00 -3.16 0.00 4.77 0.75 -4.23 117.00 111.19 1rxt n LEU 124 Ca -0.43 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 1rxt n LEU 124 Cb 0.89 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1rxt n LEU 124 CO 0.20 -0.12 -0.11 0.54 -1.33 0.00 0.00 177.39 176.56 1rxt n ARG 125 N -1.35 1.66 -1.98 3.23 1.74 -0.82 -4.93 116.66 114.21 1rxt n ARG 125 Ca 0.08 -3.87 -0.26 0.00 -0.77 0.00 0.00 57.85 53.03 1rxt n ARG 125 Cb 0.18 -1.79 0.17 0.00 -1.02 0.00 0.00 32.46 30.00 1rxt n ARG 125 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rxt n PRO 126 N 0.50 -0.91 -2.25 5.56 -0.04 -1.26 -4.90 135.00 131.69 1rxt n PRO 126 Ca 0.26 -2.12 -0.43 0.00 -0.04 0.00 0.00 63.50 61.17 1rxt n PRO 126 Cb 0.53 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1rxt n PRO 126 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1rxt s PRO 127 N -5.54 3.59 0.00 0.54 0.02 -1.26 -2.81 135.00 129.55 1rxt s PRO 127 Ca 0.69 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1rxt s PRO 127 Cb -0.02 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.45 1rxt s PRO 127 CO 0.48 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.02 1rxt n GLY 128 N 5.01 1.25 3.75 0.52 0.00 -1.26 -4.93 105.19 109.54 1rxt n GLY 128 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1rxt n GLY 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rxt s TRP 129 N -2.00 2.42 -0.03 1.61 1.48 -1.12 -4.72 118.94 116.57 1rxt s TRP 129 Ca 0.00 1.58 0.02 0.00 -1.06 0.00 0.00 56.10 56.65 1rxt s TRP 129 Cb 0.00 -3.20 0.01 0.00 -1.16 0.00 0.00 33.47 29.12 1rxt s TRP 129 CO 0.00 -1.98 -0.09 -0.51 -4.06 0.00 0.00 176.95 170.32 1rxt s LEU 130 N -5.40 1.70 0.27 -4.66 1.43 -1.26 -5.06 118.68 105.70 1rxt s LEU 130 Ca 0.66 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1rxt s LEU 130 Cb -0.21 -0.56 0.63 0.00 0.03 0.00 0.00 46.19 46.07 1rxt s LEU 130 CO 0.48 0.04 1.66 -0.65 0.23 0.00 0.00 176.35 178.11 1rxt h PRO 131 N 6.58 0.21 -0.19 1.29 0.11 -1.99 -1.46 132.00 136.56 1rxt h PRO 131 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1rxt h PRO 131 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rxt h PRO 131 CO 0.48 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1rxt n GLN 132 N -5.22 0.69 0.00 1.05 0.00 -1.26 -2.72 117.38 109.92 1rxt n GLN 132 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.26 1rxt n GLN 132 Cb 0.61 -1.09 0.05 0.00 0.00 0.00 0.00 30.24 29.81 1rxt n GLN 132 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1rxt n TRP 133 N -0.32 0.00 -2.49 2.61 8.01 -0.55 -4.51 117.44 120.19 1rxt n TRP 133 Ca 0.00 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.83 1rxt n TRP 133 Cb 0.05 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.36 1rxt n TRP 133 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 1rxt n HIS 134 N 0.65 3.16 -1.56 -5.99 8.25 -1.10 -3.57 115.22 115.05 1rxt n HIS 134 Ca 0.07 -2.85 -0.39 0.00 -0.26 0.00 0.00 57.72 54.29 1rxt n HIS 134 Cb 0.32 -0.92 0.03 0.00 1.12 0.00 0.00 29.99 30.54 1rxt n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rxt s GLY 136 N -1.05 2.26 -0.30 0.00 0.00 -1.26 -3.14 107.32 103.84 1rxt s GLY 136 Ca 0.69 -1.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.68 1rxt s GLY 136 CO 0.53 -1.71 0.67 -1.34 0.00 0.00 0.00 173.10 171.25 1rxt s VAL 137 N -3.41 -0.94 0.26 1.40 -7.23 -0.89 -2.97 120.40 106.61 1rxt s VAL 137 Ca 0.32 0.00 0.11 0.00 -1.81 0.00 0.00 61.98 60.59 1rxt s VAL 137 Cb 0.05 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 1rxt s VAL 137 CO 0.16 0.00 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.70 1rxt s ARG 138 N 2.84 1.94 0.43 4.82 3.00 -1.25 0.26 118.95 130.99 1rxt s ARG 138 Ca -0.06 -1.56 -0.25 0.00 0.00 0.00 0.00 55.73 53.86 1rxt s ARG 138 Cb -0.11 -1.97 -0.08 0.00 0.00 0.00 0.00 34.95 32.79 1rxt s ARG 138 CO -0.19 0.36 1.33 0.08 0.00 0.00 0.00 175.30 176.89 1rxt s VAL 139 N -2.27 2.45 0.25 3.52 1.01 0.17 -4.80 120.40 120.72 1rxt s VAL 139 Ca 0.29 0.39 0.21 0.00 0.00 0.00 0.00 61.98 62.87 1rxt s VAL 139 Cb -0.06 -3.22 0.32 0.00 0.00 0.00 0.00 36.38 33.41 1rxt s VAL 139 CO 0.16 0.05 0.80 0.52 0.00 0.00 0.00 175.10 176.63 1rxt n VAL 140 N -0.11 -0.07 0.00 2.92 0.31 -1.26 -3.35 118.33 116.77 1rxt n VAL 140 Ca 0.05 0.85 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 1rxt n VAL 140 Cb 0.43 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1rxt n VAL 140 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1rxt n SER 141 N -3.36 0.00 0.00 4.52 7.64 -1.26 -5.07 113.62 116.09 1rxt n SER 141 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1rxt n SER 141 Cb 0.92 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1rxt n SER 141 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rxt n SER 142 N 0.00 0.00 -3.36 6.43 7.64 -1.21 -4.96 113.62 118.15 1rxt n SER 142 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1rxt n SER 142 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1rxt n SER 142 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1rxt n ARG 143 N -1.35 0.93 -2.83 1.43 3.00 -1.26 -4.55 116.66 112.03 1rxt n ARG 143 Ca 0.00 -1.26 -0.08 0.00 -0.00 0.00 0.00 57.85 56.51 1rxt n ARG 143 Cb 0.00 -2.52 0.01 0.00 0.00 0.00 0.00 32.46 29.95 1rxt n ARG 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1rxt n LYS 144 N 6.24 0.58 -2.26 -0.14 5.02 -1.26 -4.99 118.16 121.36 1rxt n LYS 144 Ca 0.38 -2.10 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 1rxt n LYS 144 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1rxt n LYS 144 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1rxt s LEU 145 N 0.31 4.37 0.00 -0.35 2.96 -1.26 0.41 118.68 125.12 1rxt s LEU 145 Ca 0.31 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1rxt s LEU 145 Cb 0.07 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1rxt s LEU 145 CO -0.12 -0.59 0.59 1.33 -1.32 0.00 0.00 176.35 176.23 1rxt n VAL 146 N 3.98 0.27 -3.54 1.68 0.24 0.73 -4.90 118.33 116.78 1rxt n VAL 146 Ca 0.11 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1rxt n VAL 146 Cb 0.44 0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 1rxt n VAL 146 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rxt s GLY 147 N -0.27 -0.42 0.26 7.63 0.00 -0.95 0.35 107.32 113.93 1rxt s GLY 147 Ca 0.00 1.57 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 1rxt s GLY 147 CO 0.00 0.87 0.54 -0.12 0.00 0.00 0.00 173.10 174.39 1rxt s PHE 148 N -1.54 0.28 -0.30 1.90 5.36 -1.22 -2.09 117.98 120.37 1rxt s PHE 148 Ca -0.04 -0.67 -0.17 0.00 -0.96 0.00 0.00 56.93 55.09 1rxt s PHE 148 Cb -0.00 0.30 0.20 0.00 -0.34 0.00 0.00 43.02 43.18 1rxt s PHE 148 CO 0.02 -1.07 1.25 -1.50 -1.46 0.00 0.00 175.22 172.46 1rxt s ILE 149 N -3.89 -0.05 0.27 3.12 1.10 -1.06 -2.11 121.20 118.59 1rxt s ILE 149 Ca 0.20 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.35 1rxt s ILE 149 Cb -0.02 -1.00 0.05 0.00 0.15 0.00 0.00 42.46 41.64 1rxt s ILE 149 CO 0.09 0.00 0.37 -0.24 -2.11 0.00 0.00 174.94 173.06 1rxt n SER 150 N 3.80 0.61 0.00 4.50 2.88 0.61 -2.73 113.62 123.30 1rxt n SER 150 Ca -0.12 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 1rxt n SER 150 Cb 0.56 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1rxt n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rxt n ALA 151 N -2.90 0.00 -1.95 -1.46 0.00 -1.23 -3.09 120.51 109.88 1rxt n ALA 151 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1rxt n ALA 151 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1rxt n ALA 151 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1rxt s ILE 152 N 0.00 2.81 0.36 0.00 -4.36 -0.92 -4.68 121.20 114.41 1rxt s ILE 152 Ca 0.00 0.63 -0.28 0.00 -0.26 0.00 0.00 60.65 60.74 1rxt s ILE 152 Cb 0.00 -3.40 -0.11 0.00 1.25 0.00 0.00 42.46 40.20 1rxt s ILE 152 CO 0.00 0.08 1.45 -2.84 0.24 0.00 0.00 174.94 173.87 1rxt s PRO 153 N 0.26 4.16 0.00 0.37 0.02 -1.26 0.08 135.00 138.63 1rxt s PRO 153 Ca 0.62 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1rxt s PRO 153 Cb -0.41 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1rxt s PRO 153 CO 0.38 -0.47 0.00 0.00 -0.33 0.00 0.00 177.00 176.58 1rxt n ALA 154 N 0.59 0.00 -2.74 -1.55 0.00 0.77 -4.75 120.51 112.83 1rxt n ALA 154 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1rxt n ALA 154 Cb 0.40 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.92 1rxt n ALA 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rxt n ASN 155 N -0.88 -2.58 -4.40 0.00 3.02 -1.23 -3.49 115.26 105.70 1rxt n ASN 155 Ca 0.00 -3.51 -0.31 0.00 -0.03 0.00 0.00 54.58 50.73 1rxt n ASN 155 Cb 0.00 1.88 0.19 0.00 -0.61 0.00 0.00 39.78 41.25 1rxt n ASN 155 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1rxt n ILE 156 N 0.93 0.00 -3.43 2.41 -5.35 -1.07 -2.77 119.36 110.08 1rxt n ILE 156 Ca 0.07 -0.31 -0.22 0.00 -0.27 0.00 0.00 62.75 62.02 1rxt n ILE 156 Cb 0.67 -0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 37.69 1rxt n ILE 156 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1rxt s HIS 157 N -2.35 -0.01 0.00 4.28 3.76 -0.85 -2.42 115.29 117.69 1rxt s HIS 157 Ca 0.61 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1rxt s HIS 157 Cb -0.19 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1rxt s HIS 157 CO 0.65 -0.89 0.00 0.44 -0.85 0.00 0.00 174.74 174.09 1rxt n ILE 158 N 4.79 0.00 0.00 0.60 -6.64 -1.15 -2.43 119.36 114.54 1rxt n ILE 158 Ca 0.03 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 1rxt n ILE 158 Cb 0.43 -0.57 0.00 0.00 -1.44 0.00 0.00 39.64 38.06 1rxt n ILE 158 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1rxt n TYR 159 N -0.23 -0.44 0.52 4.28 9.36 -1.26 -4.55 117.16 124.84 1rxt n TYR 159 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1rxt n TYR 159 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1rxt n TYR 159 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1rxt n ASP 160 N 0.00 1.70 -3.92 2.98 8.00 -1.26 -4.73 116.55 119.32 1rxt n ASP 160 Ca 0.00 -1.13 -0.10 0.00 0.71 0.00 0.00 54.79 54.28 1rxt n ASP 160 Cb 0.00 -0.29 -0.09 0.00 -0.02 0.00 0.00 41.12 40.72 1rxt n ASP 160 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1rxt s THR 161 N 0.47 0.13 -0.81 -3.53 -1.32 -1.26 -5.10 115.64 104.22 1rxt s THR 161 Ca 0.00 -1.04 -0.06 0.00 -1.21 0.00 0.00 61.69 59.37 1rxt s THR 161 Cb 0.00 -0.82 0.21 0.00 -1.51 0.00 0.00 72.50 70.38 1rxt s THR 161 CO 0.00 -0.58 0.69 -0.70 -2.21 0.00 0.00 174.62 171.83 1rxt s GLU 162 N -2.43 3.22 -0.22 7.08 2.12 -1.26 -2.92 118.70 124.30 1rxt s GLU 162 Ca -0.06 -2.78 -0.24 0.00 0.36 0.00 0.00 54.97 52.25 1rxt s GLU 162 Cb -0.02 -4.08 -0.01 0.00 0.26 0.00 0.00 34.13 30.28 1rxt s GLU 162 CO -0.04 -1.24 0.78 -1.59 -0.54 0.00 0.00 175.26 172.63 1rxt s LYS 163 N -0.46 4.21 -0.31 4.30 0.00 -1.02 -4.94 119.74 121.52 1rxt s LYS 163 Ca 0.21 0.87 -0.28 0.00 0.00 0.00 0.00 55.97 56.77 1rxt s LYS 163 Cb -0.13 -3.61 -0.02 0.00 0.00 0.00 0.00 37.83 34.06 1rxt s LYS 163 CO -0.08 -0.41 1.87 0.21 0.00 0.00 0.00 175.35 176.95 1rxt s LYS 164 N 2.46 3.29 0.37 1.78 2.20 -1.26 -2.61 119.74 125.97 1rxt s LYS 164 Ca 0.34 1.53 0.01 0.00 -0.36 0.00 0.00 55.97 57.49 1rxt s LYS 164 Cb -0.16 -4.23 -0.00 0.00 -1.51 0.00 0.00 37.83 31.93 1rxt s LYS 164 CO 0.09 -1.91 0.04 -1.33 -0.36 0.00 0.00 175.35 171.89 1rxt n MET 165 N 8.49 0.91 -4.41 4.03 0.00 -1.23 -4.75 117.12 120.16 1rxt n MET 165 Ca 0.24 -2.81 -0.24 0.00 0.00 0.00 0.00 57.70 54.89 1rxt n MET 165 Cb 0.46 1.02 -0.11 0.00 0.00 0.00 0.00 33.22 34.59 1rxt n MET 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1rxt s VAL 166 N -2.54 2.21 -0.43 2.03 0.11 -1.15 -0.16 120.40 120.47 1rxt s VAL 166 Ca 0.06 -2.12 -0.05 0.00 -2.93 0.00 0.00 61.98 56.95 1rxt s VAL 166 Cb 0.00 -2.09 0.11 0.00 -1.53 0.00 0.00 36.38 32.87 1rxt s VAL 166 CO 0.04 -0.27 0.25 -1.61 -3.33 0.00 0.00 175.10 170.18 1rxt s GLU 167 N -2.99 2.16 0.05 1.54 2.02 0.11 0.08 118.70 121.67 1rxt s GLU 167 Ca 0.22 -1.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1rxt s GLU 167 Cb -0.06 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1rxt s GLU 167 CO 0.10 -1.11 1.03 0.42 0.02 0.00 0.00 175.26 175.72 1rxt s ILE 168 N 1.18 4.55 0.28 -1.63 -1.09 0.12 -2.16 121.20 122.44 1rxt s ILE 168 Ca 0.08 1.90 0.02 0.00 -2.23 0.00 0.00 60.65 60.41 1rxt s ILE 168 Cb -0.24 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1rxt s ILE 168 CO -0.03 0.19 0.33 0.59 -1.23 0.00 0.00 174.94 174.78 1rxt n ASN 169 N 3.60 -0.88 -3.94 3.58 5.03 -1.18 -4.59 115.26 116.88 1rxt n ASN 169 Ca 0.06 -2.63 -0.26 0.00 0.87 0.00 0.00 54.58 52.61 1rxt n ASN 169 Cb 0.49 1.77 -0.01 0.00 -1.02 0.00 0.00 39.78 41.01 1rxt n ASN 169 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1rxt n PHE 170 N -0.49 -1.75 -2.85 3.10 3.01 -1.26 0.22 117.46 117.44 1rxt n PHE 170 Ca 0.03 0.78 -0.43 0.00 1.01 0.00 0.00 57.45 58.84 1rxt n PHE 170 Cb 0.48 -3.78 -0.04 0.00 -0.01 0.00 0.00 39.48 36.13 1rxt n PHE 170 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1rxt s LEU 171 N -6.98 4.18 0.44 4.37 2.96 -1.26 -2.57 118.68 119.82 1rxt s LEU 171 Ca 0.14 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1rxt s LEU 171 Cb -0.07 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1rxt s LEU 171 CO 0.88 -1.28 0.04 0.00 -1.32 0.00 0.00 176.35 174.67 1rxt s VAL 173 N -2.98 -0.01 1.01 0.00 1.01 -1.26 -3.41 120.40 114.77 1rxt s VAL 173 Ca 0.21 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1rxt s VAL 173 Cb 0.05 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.63 1rxt s VAL 173 CO 0.11 0.02 -0.64 1.57 0.00 0.00 0.00 175.10 176.16 1rxt n HIS 174 N 3.72 -2.79 0.00 5.22 -0.00 0.15 -4.90 115.22 116.62 1rxt n HIS 174 Ca -0.19 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1rxt n HIS 174 Cb 0.56 -1.51 0.00 0.00 -0.12 0.00 0.00 29.99 28.92 1rxt n HIS 174 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1rxt n LYS 175 N 0.91 0.00 0.00 1.57 0.00 -1.26 -3.88 118.16 115.50 1rxt n LYS 175 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1rxt n LYS 175 Cb 0.62 -0.63 0.00 0.00 -0.00 0.00 0.00 35.03 35.02 1rxt n LYS 175 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1rxt n LYS 176 N -0.31 0.00 -1.83 -1.58 -0.00 -1.26 -4.74 118.16 108.43 1rxt n LYS 176 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1rxt n LYS 176 Cb 0.00 -1.44 -0.03 0.00 -0.00 0.00 0.00 35.03 33.56 1rxt n LYS 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1rxt s LEU 177 N -1.55 3.99 -0.43 -5.58 1.43 -1.25 -4.88 118.68 110.41 1rxt s LEU 177 Ca 0.00 2.09 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1rxt s LEU 177 Cb 0.00 -3.53 0.37 0.00 0.03 0.00 0.00 46.19 43.06 1rxt s LEU 177 CO 0.00 -1.34 1.92 -2.11 0.23 0.00 0.00 176.35 175.05 1rxt n ARG 178 N 7.86 2.12 -3.95 1.70 -4.01 -1.26 -4.87 116.66 114.25 1rxt n ARG 178 Ca 0.22 -2.29 -0.29 0.00 -1.04 0.00 0.00 57.85 54.45 1rxt n ARG 178 Cb 0.44 -1.90 -0.17 0.00 -3.04 0.00 0.00 32.46 27.79 1rxt n ARG 178 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 1rxt s SER 179 N -0.71 2.68 0.00 2.89 1.04 -1.26 -4.97 113.70 113.37 1rxt s SER 179 Ca 0.45 -0.54 0.26 0.00 0.48 0.00 0.00 55.95 56.60 1rxt s SER 179 Cb 0.36 -1.01 0.55 0.00 0.10 0.00 0.00 66.02 66.02 1rxt s SER 179 CO 0.02 -0.12 1.45 0.29 0.98 0.00 0.00 173.24 175.85 1rxt n LYS 180 N 4.84 1.46 -1.02 4.02 4.76 -1.26 -3.86 118.16 127.10 1rxt n LYS 180 Ca -0.14 -1.04 -0.12 0.00 -2.87 0.00 0.00 58.31 54.15 1rxt n LYS 180 Cb 0.49 -1.48 0.24 0.00 -1.84 0.00 0.00 35.03 32.44 1rxt n LYS 180 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rxt n ARG 181 N 0.14 3.03 0.00 1.97 5.12 -1.26 -4.32 116.66 121.33 1rxt n ARG 181 Ca 0.14 -2.82 0.00 0.00 -1.93 0.00 0.00 57.85 53.24 1rxt n ARG 181 Cb 0.43 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 1rxt n ARG 181 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1rxt n VAL 182 N -0.45 0.00 -0.32 1.55 0.31 -1.25 -4.49 118.33 113.68 1rxt n VAL 182 Ca 0.45 0.28 0.16 0.00 -0.01 0.00 0.00 64.34 65.22 1rxt n VAL 182 Cb 1.42 -1.27 0.39 0.00 -0.91 0.00 0.00 33.84 33.47 1rxt n VAL 182 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rxt h ALA 183 N -2.00 1.87 0.00 3.52 0.00 -1.84 0.73 119.26 121.54 1rxt h ALA 183 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rxt h ALA 183 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rxt h ALA 183 CO 0.00 -0.23 0.05 -2.30 0.00 0.00 0.00 179.25 176.78 1rxt n PRO 184 N -4.69 0.03 -0.01 0.00 -0.02 -1.26 0.26 135.00 129.31 1rxt n PRO 184 Ca 0.23 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 1rxt n PRO 184 Cb 0.64 -1.66 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1rxt n PRO 184 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rxt n VAL 185 N -1.65 0.18 0.25 -1.45 0.31 0.64 -4.06 118.33 112.55 1rxt n VAL 185 Ca -0.00 -0.09 0.10 0.00 -0.01 0.00 0.00 64.34 64.34 1rxt n VAL 185 Cb 0.06 -0.82 0.67 0.00 -0.91 0.00 0.00 33.84 32.84 1rxt n VAL 185 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1rxt h LEU 186 N 0.00 0.00 0.00 7.52 7.12 0.24 -1.90 115.31 128.29 1rxt h LEU 186 Ca -0.07 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 1rxt h LEU 186 Cb 1.14 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1rxt h LEU 186 CO -0.00 0.13 -0.17 0.40 -0.13 0.00 0.00 178.44 178.67 1rxt h ILE 187 N 0.00 0.41 0.00 4.05 2.04 0.33 -3.36 117.51 120.98 1rxt h ILE 187 Ca -0.00 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1rxt h ILE 187 Cb 0.31 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1rxt h ILE 187 CO 0.02 0.14 0.00 -2.11 0.00 0.00 0.00 178.15 176.20 1rxt n ARG 188 N -4.69 0.01 0.04 2.37 1.85 -1.18 -2.97 116.66 112.08 1rxt n ARG 188 Ca -0.05 0.45 -0.10 0.00 -1.00 0.00 0.00 57.85 57.15 1rxt n ARG 188 Cb 0.19 -1.54 -0.07 0.00 -1.05 0.00 0.00 32.46 29.99 1rxt n ARG 188 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1rxt h GLU 189 N 0.00 -0.18 0.00 2.89 4.39 -1.48 -2.83 114.58 117.37 1rxt h GLU 189 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1rxt h GLU 189 Cb 0.06 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1rxt h GLU 189 CO 0.00 0.24 -0.07 0.97 -1.16 0.00 0.00 179.01 178.98 1rxt h ILE 190 N -0.92 0.37 -0.56 3.13 6.09 -1.70 -0.51 117.51 123.42 1rxt h ILE 190 Ca -0.02 -0.40 -0.10 0.00 -1.37 0.00 0.00 64.86 62.97 1rxt h ILE 190 Cb 0.50 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1rxt h ILE 190 CO 0.03 0.07 -0.05 0.74 -3.07 0.00 0.00 178.15 175.87 1rxt h THR 191 N 0.00 1.27 0.01 2.19 2.02 -1.54 -1.92 112.91 114.93 1rxt h THR 191 Ca -0.00 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1rxt h THR 191 Cb 0.28 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1rxt h THR 191 CO 0.01 0.43 -0.00 0.03 0.37 0.00 0.00 175.52 176.35 1rxt h ARG 192 N 0.90 -0.01 -1.11 6.66 3.08 -1.03 -2.28 114.38 120.59 1rxt h ARG 192 Ca 0.15 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.51 1rxt h ARG 192 Cb 0.61 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 1rxt h ARG 192 CO 0.04 0.65 0.73 0.00 -1.07 0.00 0.00 179.97 180.31 1rxt h ARG 193 N -0.68 0.28 0.11 0.04 3.08 -1.07 -1.14 114.38 114.99 1rxt h ARG 193 Ca -0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1rxt h ARG 193 Cb 0.66 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1rxt h ARG 193 CO 0.00 0.18 -1.08 0.28 -1.07 0.00 0.00 179.97 178.28 1rxt h VAL 194 N 0.29 1.26 0.00 2.04 2.07 -1.38 -3.31 116.25 117.21 1rxt h VAL 194 Ca 0.63 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1rxt h VAL 194 Cb 1.80 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.48 1rxt h VAL 194 CO -0.28 0.68 0.00 1.41 0.02 0.00 0.00 177.57 179.40 1rxt n HIS 195 N -4.08 0.00 0.01 1.57 -0.00 -0.45 0.05 115.22 112.32 1rxt n HIS 195 Ca -0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.63 1rxt n HIS 195 Cb 0.83 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.68 1rxt n HIS 195 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rxt n LEU 196 N -0.68 0.13 -1.14 2.41 4.32 -1.13 -4.10 117.00 116.81 1rxt n LEU 196 Ca 0.00 0.05 0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1rxt n LEU 196 Cb 0.00 -0.01 0.24 0.00 -1.62 0.00 0.00 43.42 42.03 1rxt n LEU 196 CO 0.00 -0.03 0.71 1.21 -1.22 0.00 0.00 177.39 178.06 1rxt n GLU 197 N -2.32 2.54 0.00 3.23 2.13 0.11 -4.94 120.64 121.39 1rxt n GLU 197 Ca -0.03 -2.35 0.00 0.00 0.66 0.00 0.00 57.16 55.44 1rxt n GLU 197 Cb 0.57 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1rxt n GLU 197 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rxt n GLY 198 N 1.40 2.41 3.02 8.31 0.00 -1.22 -4.94 105.19 114.18 1rxt n GLY 198 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1rxt n GLY 198 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rxt n ILE 199 N -2.00 2.07 1.28 -0.61 5.41 -1.24 -4.57 119.36 119.70 1rxt n ILE 199 Ca 0.00 -1.77 0.13 0.00 1.00 0.00 0.00 62.75 62.11 1rxt n ILE 199 Cb 0.00 -2.35 0.68 0.00 -0.71 0.00 0.00 39.64 37.26 1rxt n ILE 199 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1rxt n PHE 200 N 7.14 0.00 -3.94 1.39 3.01 -1.26 -4.28 117.46 119.52 1rxt n PHE 200 Ca 0.50 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.59 1rxt n PHE 200 Cb 0.39 -0.28 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1rxt n PHE 200 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1rxt s GLN 201 N -2.55 3.49 0.16 -1.08 -1.52 -1.26 -4.36 119.66 112.54 1rxt s GLN 201 Ca 0.26 -0.19 0.07 0.00 -1.95 0.00 0.00 55.36 53.55 1rxt s GLN 201 Cb 0.18 -3.16 -0.04 0.00 -0.22 0.00 0.00 33.01 29.77 1rxt s GLN 201 CO 0.40 0.69 -0.16 0.00 -0.25 0.00 0.00 175.29 175.97 1rxt s ALA 202 N -0.77 1.84 -0.04 6.09 0.00 -1.26 -2.93 121.76 124.69 1rxt s ALA 202 Ca 0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1rxt s ALA 202 Cb -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1rxt s ALA 202 CO 0.03 0.15 0.11 0.08 0.00 0.00 0.00 175.76 176.13 1rxt s VAL 203 N -2.33 -0.00 0.00 0.00 1.01 0.11 -2.52 120.40 116.67 1rxt s VAL 203 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1rxt s VAL 203 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1rxt s VAL 203 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.16 1rxt n TYR 204 N 3.09 0.00 -4.28 5.22 4.11 -1.25 0.11 117.16 124.17 1rxt n TYR 204 Ca -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.62 1rxt n TYR 204 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.83 1rxt n TYR 204 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1rxt s THR 205 N -2.00 1.00 -0.08 -3.48 -4.23 -1.26 -2.31 115.64 103.28 1rxt s THR 205 Ca 0.00 -2.03 -0.22 0.00 -1.18 0.00 0.00 61.69 58.26 1rxt s THR 205 Cb 0.00 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1rxt s THR 205 CO 0.00 -0.53 0.51 0.00 -0.54 0.00 0.00 174.62 174.06 1rxt s ALA 206 N -3.44 -1.29 -0.85 3.99 0.00 -1.21 -5.03 121.76 113.93 1rxt s ALA 206 Ca 0.23 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1rxt s ALA 206 Cb 0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 23.12 22.79 1rxt s ALA 206 CO 0.04 -0.30 3.09 0.41 0.00 0.00 0.00 175.76 179.00 1rxt n GLY 207 N 1.56 3.54 2.44 0.00 0.00 -1.26 -3.93 105.19 107.54 1rxt n GLY 207 Ca -0.18 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 1rxt n GLY 207 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rxt n VAL 208 N 3.18 0.00 -3.80 1.61 0.24 -1.26 -5.07 118.33 113.23 1rxt n VAL 208 Ca 0.59 -0.58 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1rxt n VAL 208 Cb 0.50 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 1rxt n VAL 208 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1rxt s VAL 209 N -2.38 5.24 -0.28 3.34 1.01 -1.26 -4.73 120.40 121.33 1rxt s VAL 209 Ca 0.11 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1rxt s VAL 209 Cb -0.03 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.65 1rxt s VAL 209 CO 0.07 -0.28 0.88 -0.22 0.00 0.00 0.00 175.10 175.55 1rxt s LEU 210 N -3.72 -0.62 0.00 3.92 2.96 -1.26 -5.12 118.68 114.84 1rxt s LEU 210 Ca 0.36 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 1rxt s LEU 210 Cb -0.10 2.10 0.00 0.00 0.50 0.00 0.00 46.19 48.69 1rxt s LEU 210 CO 0.30 -0.19 0.29 -2.65 -1.32 0.00 0.00 176.35 172.78 1rxt n PRO 211 N 2.95 0.00 -3.39 0.98 -0.02 -1.26 -3.89 135.00 130.38 1rxt n PRO 211 Ca -0.15 0.29 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 1rxt n PRO 211 Cb 0.56 -0.50 -0.03 0.00 -0.02 0.00 0.00 33.50 33.51 1rxt n PRO 211 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rxt s LYS 212 N -1.78 3.42 0.44 -0.52 3.01 -1.26 -5.06 119.74 118.00 1rxt s LYS 212 Ca 0.00 -2.44 -0.08 0.00 -1.01 0.00 0.00 55.97 52.44 1rxt s LYS 212 Cb 0.00 -4.32 -0.05 0.00 -1.01 0.00 0.00 37.83 32.45 1rxt s LYS 212 CO 0.00 -1.27 0.79 -1.25 0.51 0.00 0.00 175.35 174.12 1rxt s PRO 213 N 0.19 3.67 -0.17 -1.68 0.04 -1.25 -4.61 135.00 131.19 1rxt s PRO 213 Ca 0.17 0.37 0.08 0.00 0.04 0.00 0.00 61.00 61.66 1rxt s PRO 213 Cb -0.13 -2.37 -0.16 0.00 0.04 0.00 0.00 34.50 31.88 1rxt s PRO 213 CO -0.08 -0.13 -0.05 0.28 0.04 0.00 0.00 177.00 177.07 1rxt n VAL 214 N -1.75 1.06 -4.06 -0.36 0.31 0.53 -4.92 118.33 109.15 1rxt n VAL 214 Ca 0.02 -0.54 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 1rxt n VAL 214 Cb 0.54 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.56 1rxt n VAL 214 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxt n GLY 215 N 2.31 2.84 2.76 2.92 0.00 -1.10 -3.69 105.19 111.24 1rxt n GLY 215 Ca -0.29 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 1rxt n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rxt s THR 216 N -2.83 -0.53 0.71 2.61 2.01 -1.26 -2.68 115.64 113.66 1rxt s THR 216 Ca 0.24 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 1rxt s THR 216 Cb 0.00 0.00 0.15 0.00 0.01 0.00 0.00 72.50 72.67 1rxt s THR 216 CO 0.17 0.00 0.97 0.00 -0.69 0.00 0.00 174.62 175.07 1rxt s ARG 218 N -5.02 0.40 0.57 0.00 0.52 -1.26 -2.08 118.95 112.08 1rxt s ARG 218 Ca 0.59 0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 56.10 1rxt s ARG 218 Cb -0.02 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 1rxt s ARG 218 CO 0.40 -0.05 1.02 1.52 0.02 0.00 0.00 175.30 178.21 1rxt s TYR 219 N 0.13 3.30 0.34 -0.53 -0.85 -1.26 -4.46 117.35 114.02 1rxt s TYR 219 Ca -0.00 1.45 0.06 0.00 -0.52 0.00 0.00 57.07 58.06 1rxt s TYR 219 Cb -0.02 -2.86 -0.02 0.00 0.38 0.00 0.00 41.96 39.44 1rxt s TYR 219 CO 0.01 -0.73 0.21 0.91 -1.52 0.00 0.00 175.55 174.43 1rxt n TRP 220 N -2.03 -0.39 -3.67 -3.49 7.02 -1.06 -4.29 117.44 109.52 1rxt n TRP 220 Ca 0.07 -2.55 -0.04 0.00 -1.02 0.00 0.00 57.50 53.96 1rxt n TRP 220 Cb 0.54 0.16 -0.01 0.00 -2.42 0.00 0.00 31.31 29.58 1rxt n TRP 220 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1rxt n HIS 221 N -0.70 -0.78 -2.66 -5.99 8.25 -1.26 -3.70 115.22 108.38 1rxt n HIS 221 Ca 0.02 -0.68 -0.03 0.00 -0.26 0.00 0.00 57.72 56.77 1rxt n HIS 221 Cb 0.57 0.17 0.05 0.00 1.12 0.00 0.00 29.99 31.89 1rxt n HIS 221 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1rxt n ARG 222 N -0.17 0.04 -1.31 -0.41 0.00 -1.12 -2.71 116.66 110.98 1rxt n ARG 222 Ca -0.00 -0.61 -0.51 0.00 -0.00 0.00 0.00 57.85 56.73 1rxt n ARG 222 Cb 0.17 0.26 -0.07 0.00 0.00 0.00 0.00 32.46 32.82 1rxt n ARG 222 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1rxt n SER 223 N 2.31 0.39 -0.72 6.15 7.64 -1.26 -4.18 113.62 123.96 1rxt n SER 223 Ca 0.08 0.96 0.08 0.00 1.01 0.00 0.00 58.87 61.00 1rxt n SER 223 Cb 0.67 -0.74 0.21 0.00 -1.01 0.00 0.00 64.21 63.35 1rxt n SER 223 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rxt n LEU 224 N 2.04 3.44 -2.67 -3.43 4.77 -1.08 -4.58 117.00 115.49 1rxt n LEU 224 Ca 0.20 -2.77 -0.04 0.00 -0.03 0.00 0.00 56.01 53.37 1rxt n LEU 224 Cb 0.02 -0.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1rxt n LEU 224 CO 0.59 0.68 0.67 -3.20 -1.33 0.00 0.00 177.39 174.80 1rxt n ASN 225 N -0.39 -1.35 0.07 -1.43 2.85 -1.25 -4.74 115.26 109.01 1rxt n ASN 225 Ca 0.18 -2.01 -0.13 0.00 -0.11 0.00 0.00 54.58 52.51 1rxt n ASN 225 Cb 0.74 1.13 -0.07 0.00 1.24 0.00 0.00 39.78 42.83 1rxt n ASN 225 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rxt h PRO 226 N 2.47 -0.55 -0.73 1.20 0.11 -1.88 -2.30 132.00 130.32 1rxt h PRO 226 Ca -0.28 0.04 0.21 0.00 0.11 0.00 0.00 66.00 66.08 1rxt h PRO 226 Cb 1.20 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1rxt h PRO 226 CO -0.03 -0.37 0.91 -0.09 -0.21 0.00 0.00 178.00 178.21 1rxt h ARG 227 N -0.57 0.00 0.10 1.05 2.43 -1.98 -0.05 114.38 115.36 1rxt h ARG 227 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rxt h ARG 227 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1rxt h ARG 227 CO -0.30 0.00 -0.05 -0.22 -1.51 0.00 0.00 179.97 177.89 1rxt h LYS 228 N 0.00 -0.13 -0.99 0.20 3.64 -1.84 -1.67 116.57 115.79 1rxt h LYS 228 Ca 0.35 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.82 1rxt h LYS 228 Cb 2.16 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.94 1rxt h LYS 228 CO -0.00 0.27 0.63 -0.07 -2.27 0.00 0.00 179.45 178.01 1rxt h LEU 229 N -0.96 0.98 -0.81 5.20 3.38 -1.07 0.29 115.31 122.32 1rxt h LEU 229 Ca -0.01 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1rxt h LEU 229 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1rxt h LEU 229 CO 0.02 0.59 0.12 0.40 0.09 0.00 0.00 178.44 179.67 1rxt h ILE 230 N 1.09 1.25 0.25 1.22 2.04 -1.25 -2.92 117.51 119.20 1rxt h ILE 230 Ca 0.45 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1rxt h ILE 230 Cb 0.28 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1rxt h ILE 230 CO -0.20 0.36 -0.12 -0.33 0.00 0.00 0.00 178.15 177.87 1rxt h GLU 231 N 0.96 -0.33 0.00 2.37 5.08 0.31 -3.43 114.58 119.55 1rxt h GLU 231 Ca 0.20 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rxt h GLU 231 Cb 0.39 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1rxt h GLU 231 CO 0.01 -0.16 0.00 1.55 -1.00 0.00 0.00 179.01 179.41 1rxt n VAL 232 N -5.20 0.00 -2.05 3.13 3.14 0.72 -4.97 118.33 113.10 1rxt n VAL 232 Ca -0.09 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1rxt n VAL 232 Cb 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.96 1rxt n VAL 232 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1rxt n LYS 233 N 0.00 0.00 0.09 1.45 4.76 -1.17 -4.89 118.16 118.40 1rxt n LYS 233 Ca 0.00 -0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 54.59 1rxt n LYS 233 Cb 0.00 -0.17 -0.13 0.00 -1.84 0.00 0.00 35.03 32.89 1rxt n LYS 233 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1rxt h PHE 234 N 0.10 0.33 -4.02 2.13 3.57 -1.91 -3.47 116.94 113.66 1rxt h PHE 234 Ca -0.07 -0.24 -0.12 0.00 3.53 0.00 0.00 57.97 61.07 1rxt h PHE 234 Cb 1.30 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.88 1rxt h PHE 234 CO -0.07 1.19 -0.46 0.45 -2.23 0.00 0.00 178.31 177.20 1rxt s SER 235 N -7.00 0.19 0.08 0.41 0.15 -1.22 -5.07 113.70 101.24 1rxt s SER 235 Ca -0.02 -0.89 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 1rxt s SER 235 Cb 0.08 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1rxt s SER 235 CO 0.86 -0.76 0.24 -1.00 1.20 0.00 0.00 173.24 173.78 1rxt s HIS 236 N -3.94 0.05 0.24 3.44 3.76 -1.26 -3.33 115.29 114.25 1rxt s HIS 236 Ca 0.13 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.34 1rxt s HIS 236 Cb 0.05 0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.67 1rxt s HIS 236 CO -0.05 -0.55 0.97 -0.48 -0.85 0.00 0.00 174.74 173.78 1rxt s LEU 237 N -2.67 4.62 0.00 0.89 0.05 -1.26 -5.02 118.68 115.29 1rxt s LEU 237 Ca 0.02 2.00 0.00 0.00 0.05 0.00 0.00 54.13 56.20 1rxt s LEU 237 Cb 0.03 -3.61 0.00 0.00 -2.05 0.00 0.00 46.19 40.56 1rxt s LEU 237 CO -0.10 0.09 0.00 -0.24 -0.55 0.00 0.00 176.35 175.56 1rxt n SER 238 N 1.52 -0.36 0.00 1.48 2.88 -1.26 -4.86 113.62 113.03 1rxt n SER 238 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1rxt n SER 238 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1rxt n SER 238 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rxt n ARG 239 N -0.36 0.00 -2.30 -1.46 3.00 -1.26 -3.95 116.66 110.34 1rxt n ARG 239 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1rxt n ARG 239 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 32.46 32.14 1rxt n ARG 239 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rxt n ASN 240 N 0.00 7.26 -4.40 0.55 5.15 -1.26 -4.95 115.26 117.61 1rxt n ASN 240 Ca 0.00 -3.76 -0.43 0.00 -0.60 0.00 0.00 54.58 49.79 1rxt n ASN 240 Cb 0.00 -1.07 -0.09 0.00 -0.53 0.00 0.00 39.78 38.08 1rxt n ASN 240 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1rxt s MET 241 N -4.16 2.91 0.50 1.20 -1.94 -1.25 -5.06 119.30 111.50 1rxt s MET 241 Ca 0.46 -1.20 -0.22 0.00 -1.71 0.00 0.00 55.69 53.02 1rxt s MET 241 Cb 0.32 -3.98 -0.08 0.00 2.01 0.00 0.00 34.83 33.10 1rxt s MET 241 CO -0.27 -0.87 0.97 0.25 -0.01 0.00 0.00 175.02 175.09 1rxt n THR 242 N 5.13 2.89 0.49 2.05 -2.24 -1.26 -4.75 114.28 116.58 1rxt n THR 242 Ca -0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1rxt n THR 242 Cb 0.45 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1rxt n THR 242 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1rxt n MET 243 N -0.30 0.49 0.00 -0.78 2.81 -1.26 -2.65 117.12 115.44 1rxt n MET 243 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1rxt n MET 243 Cb 0.43 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1rxt n MET 243 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1rxt n GLN 244 N 0.41 0.00 -0.21 0.03 1.13 -1.26 -4.70 117.38 112.78 1rxt n GLN 244 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1rxt n GLN 244 Cb 0.16 -0.31 0.06 0.00 0.11 0.00 0.00 30.24 30.25 1rxt n GLN 244 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rxt h ARG 245 N 0.00 0.71 -0.73 -1.09 3.08 -1.86 -1.62 114.38 112.86 1rxt h ARG 245 Ca 0.00 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.16 1rxt h ARG 245 Cb 0.61 -0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.36 1rxt h ARG 245 CO 0.00 0.47 -0.15 1.15 -1.07 0.00 0.00 179.97 180.37 1rxt h THR 246 N 0.73 0.28 0.41 2.04 2.02 -1.83 -0.29 112.91 116.27 1rxt h THR 246 Ca 0.24 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 1rxt h THR 246 Cb 0.02 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1rxt h THR 246 CO -0.10 0.00 -0.28 0.24 0.37 0.00 0.00 175.52 175.75 1rxt h MET 247 N 0.02 -0.63 -0.80 6.66 2.86 -1.59 -1.90 114.93 119.55 1rxt h MET 247 Ca 0.36 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.23 1rxt h MET 247 Cb 0.57 0.14 -0.15 0.00 0.06 0.00 0.00 31.60 32.22 1rxt h MET 247 CO -0.74 -0.42 -0.13 1.63 1.06 0.00 0.00 176.91 178.32 1rxt n LYS 248 N -4.05 -0.07 0.06 1.72 5.02 -0.55 -0.36 118.16 119.93 1rxt n LYS 248 Ca -0.08 1.23 -0.03 0.00 -2.02 0.00 0.00 58.31 57.41 1rxt n LYS 248 Cb 0.28 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1rxt n LYS 248 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1rxt h LEU 249 N 0.00 -0.25 -3.08 -0.35 6.46 -0.80 -2.41 115.31 114.87 1rxt h LEU 249 Ca 0.42 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1rxt h LEU 249 Cb 0.72 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1rxt h LEU 249 CO -0.80 -0.13 0.00 -1.22 -0.62 0.00 0.00 178.44 175.67 1rxt n TYR 250 N -2.81 0.00 -1.65 1.25 4.02 0.51 -4.84 117.16 113.64 1rxt n TYR 250 Ca -0.02 -0.45 -0.29 0.00 -0.01 0.00 0.00 57.90 57.12 1rxt n TYR 250 Cb 0.09 -0.33 0.14 0.00 -0.02 0.00 0.00 39.34 39.22 1rxt n TYR 250 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1rxt s ARG 251 N 0.83 1.02 -0.27 -0.72 0.52 -0.72 -4.87 118.95 114.74 1rxt s ARG 251 Ca 0.00 0.09 -0.24 0.00 -0.52 0.00 0.00 55.73 55.06 1rxt s ARG 251 Cb 0.00 -1.84 0.07 0.00 0.52 0.00 0.00 34.95 33.70 1rxt s ARG 251 CO 0.00 -2.24 0.73 -0.51 0.02 0.00 0.00 175.30 173.30 1rxt s LEU 252 N -5.99 -0.75 0.84 2.53 1.43 -1.26 -5.10 118.68 110.38 1rxt s LEU 252 Ca 0.66 1.42 -0.10 0.00 -1.03 0.00 0.00 54.13 55.08 1rxt s LEU 252 Cb -0.11 2.43 0.10 0.00 0.03 0.00 0.00 46.19 48.63 1rxt s LEU 252 CO 0.53 -0.24 1.11 -2.84 0.23 0.00 0.00 176.35 175.13 1rxt s PRO 253 N 0.46 1.71 0.00 1.29 0.02 -1.26 -4.96 135.00 132.26 1rxt s PRO 253 Ca -0.01 1.25 0.21 0.00 0.02 0.00 0.00 61.00 62.47 1rxt s PRO 253 Cb -0.05 -1.83 0.53 0.00 0.02 0.00 0.00 34.50 33.17 1rxt s PRO 253 CO -0.01 -2.05 1.44 0.39 -0.33 0.00 0.00 177.00 176.45 1rxt n GLU 254 N -3.81 2.25 -3.68 5.54 4.71 -1.26 -4.86 120.64 119.53 1rxt n GLU 254 Ca 0.10 -1.90 -0.10 0.00 -0.01 0.00 0.00 57.16 55.25 1rxt n GLU 254 Cb 0.53 -1.46 -0.10 0.00 -1.01 0.00 0.00 31.44 29.40 1rxt n GLU 254 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1rxt s THR 255 N -1.49 -0.22 0.43 2.62 2.01 -1.26 -5.10 115.64 112.62 1rxt s THR 255 Ca 0.37 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 1rxt s THR 255 Cb 0.20 -0.64 -0.13 0.00 0.01 0.00 0.00 72.50 71.94 1rxt s THR 255 CO 0.28 0.05 0.43 -2.65 -0.69 0.00 0.00 174.62 172.04 1rxt n PRO 256 N 4.63 0.43 -1.21 4.92 -0.02 -1.26 -4.91 135.00 137.57 1rxt n PRO 256 Ca -0.18 0.16 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 1rxt n PRO 256 Cb 0.53 -1.41 0.15 0.00 -0.02 0.00 0.00 33.50 32.76 1rxt n PRO 256 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rxt n LYS 257 N 0.71 2.36 -3.85 -0.52 4.76 -1.26 -4.88 118.16 115.48 1rxt n LYS 257 Ca 0.11 -3.21 -0.23 0.00 -2.87 0.00 0.00 58.31 52.11 1rxt n LYS 257 Cb 0.41 -2.13 -0.17 0.00 -1.84 0.00 0.00 35.03 31.30 1rxt n LYS 257 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1rxt s THR 258 N -3.77 0.46 -0.53 -0.18 -1.32 -1.26 -5.10 115.64 103.95 1rxt s THR 258 Ca 0.55 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.85 1rxt s THR 258 Cb 0.46 -0.59 0.04 0.00 -1.51 0.00 0.00 72.50 70.91 1rxt s THR 258 CO 0.05 0.26 0.83 0.00 -2.21 0.00 0.00 174.62 173.55 1rxt s ALA 259 N 1.77 3.24 0.00 11.08 0.00 -1.26 -3.72 121.76 132.88 1rxt s ALA 259 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1rxt s ALA 259 Cb -0.13 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1rxt s ALA 259 CO -0.05 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.90 1rxt n GLY 260 N 5.12 1.00 3.58 0.00 0.00 -1.26 -4.93 105.19 108.70 1rxt n GLY 260 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1rxt n GLY 260 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rxt n LEU 261 N 0.00 3.10 -3.71 0.99 -0.00 -1.24 -2.38 117.00 113.75 1rxt n LEU 261 Ca 0.00 0.27 -0.11 0.00 -0.00 0.00 0.00 56.01 56.16 1rxt n LEU 261 Cb 0.00 -1.50 -0.12 0.00 -0.00 0.00 0.00 43.42 41.80 1rxt n LEU 261 CO 0.00 -0.66 -0.03 -0.60 -0.00 0.00 0.00 177.39 176.10 1rxt s ARG 262 N 6.25 0.30 0.10 1.96 3.52 0.18 -5.00 118.95 126.27 1rxt s ARG 262 Ca 1.02 0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.98 1rxt s ARG 262 Cb -0.43 -0.07 -0.17 0.00 -1.56 0.00 0.00 34.95 32.73 1rxt s ARG 262 CO 0.38 -0.16 0.70 -2.30 -0.81 0.00 0.00 175.30 173.11 1rxt n PRO 263 N 4.23 0.00 -1.88 5.12 -0.02 -1.26 -2.42 135.00 138.76 1rxt n PRO 263 Ca -0.24 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.82 1rxt n PRO 263 Cb 0.54 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.89 1rxt n PRO 263 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1rxt s MET 264 N -0.48 4.17 1.03 -0.52 1.75 -0.95 -4.72 119.30 119.59 1rxt s MET 264 Ca 0.69 2.36 -0.17 0.00 -1.25 0.00 0.00 55.69 57.32 1rxt s MET 264 Cb -0.98 -3.90 0.22 0.00 2.84 0.00 0.00 34.83 33.01 1rxt s MET 264 CO 0.51 -0.84 1.23 -1.21 -0.65 0.00 0.00 175.02 174.06 1rxt s GLU 265 N 3.68 0.09 0.20 4.11 2.02 -1.26 -4.71 118.70 122.83 1rxt s GLU 265 Ca 0.78 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 55.48 1rxt s GLU 265 Cb -0.38 -1.76 0.14 0.00 0.10 0.00 0.00 34.13 32.22 1rxt s GLU 265 CO 0.34 -2.81 1.60 1.15 0.02 0.00 0.00 175.26 175.56 1rxt h THR 266 N -1.93 1.27 0.00 3.63 2.02 -2.03 -2.58 112.91 113.28 1rxt h THR 266 Ca -0.45 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1rxt h THR 266 Cb 1.26 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1rxt h THR 266 CO 0.39 0.46 0.00 0.29 0.37 0.00 0.00 175.52 177.03 1rxt n LYS 267 N -4.10 0.82 -0.29 6.66 4.01 -1.26 -3.03 118.16 120.97 1rxt n LYS 267 Ca -0.00 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.90 1rxt n LYS 267 Cb 0.45 -1.38 0.27 0.00 -0.51 0.00 0.00 35.03 33.86 1rxt n LYS 267 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1rxt n ASP 268 N -0.88 3.26 0.29 4.39 8.00 -0.97 -4.54 116.55 126.10 1rxt n ASP 268 Ca 0.15 -1.99 -0.12 0.00 0.71 0.00 0.00 54.79 53.55 1rxt n ASP 268 Cb 0.07 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1rxt n ASP 268 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1rxt h ILE 269 N 3.65 0.00 0.00 0.53 2.04 -1.71 -2.57 117.51 119.45 1rxt h ILE 269 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1rxt h ILE 269 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1rxt h ILE 269 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.50 1rxt h PRO 270 N -0.89 0.00 0.00 2.37 0.11 -1.86 0.21 132.00 131.94 1rxt h PRO 270 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rxt h PRO 270 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1rxt h PRO 270 CO 0.13 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.20 1rxt h VAL 271 N 0.00 0.00 0.00 3.15 2.07 -1.80 -2.05 116.25 117.62 1rxt h VAL 271 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1rxt h VAL 271 Cb 0.00 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1rxt h VAL 271 CO 0.00 0.00 -1.48 0.52 0.02 0.00 0.00 177.57 176.63 1rxt n VAL 272 N -2.32 0.00 -0.06 2.57 0.31 0.60 -3.55 118.33 115.87 1rxt n VAL 272 Ca 0.05 -0.29 -0.03 0.00 -0.01 0.00 0.00 64.34 64.06 1rxt n VAL 272 Cb 0.43 0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 33.75 1rxt n VAL 272 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1rxt h HIS 273 N 0.00 0.00 -0.15 3.52 6.17 -1.03 -3.02 115.15 120.65 1rxt h HIS 273 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 1rxt h HIS 273 Cb 0.70 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 1rxt h HIS 273 CO 0.00 0.18 -0.29 -0.56 0.71 0.00 0.00 177.93 177.98 1rxt h GLN 274 N -1.00 0.27 0.00 5.26 3.07 -1.61 -0.28 115.11 120.83 1rxt h GLN 274 Ca -0.01 -0.10 -0.13 0.00 0.09 0.00 0.00 58.65 58.50 1rxt h GLN 274 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.77 1rxt h GLN 274 CO -0.01 0.54 -0.61 1.25 0.09 0.00 0.00 178.83 180.10 1rxt h LEU 275 N 0.24 0.00 0.00 0.06 5.85 -1.72 -3.18 115.31 116.56 1rxt h LEU 275 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1rxt h LEU 275 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1rxt h LEU 275 CO 0.05 0.61 -1.39 -0.11 -0.34 0.00 0.00 178.44 177.25 1rxt n LEU 276 N -3.73 0.58 0.08 2.25 7.94 -1.08 -3.51 117.00 119.53 1rxt n LEU 276 Ca -0.01 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.07 1rxt n LEU 276 Cb 0.62 -0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 1rxt n LEU 276 CO 0.42 -0.07 0.24 0.71 -1.11 0.00 0.00 177.39 177.58 1rxt h THR 277 N 0.00 1.55 0.07 1.96 1.35 -1.08 -1.59 112.91 115.18 1rxt h THR 277 Ca -0.04 -3.06 -0.30 0.00 -0.55 0.00 0.00 66.41 62.46 1rxt h THR 277 Cb 1.12 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 70.20 1rxt h THR 277 CO 0.01 0.85 -1.59 0.03 -0.25 0.00 0.00 175.52 174.57 1rxt h ARG 278 N 0.00 0.15 0.25 4.72 -0.00 -1.73 -3.14 114.38 114.63 1rxt h ARG 278 Ca -0.01 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.98 59.21 1rxt h ARG 278 Cb 1.61 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.68 1rxt h ARG 278 CO 0.11 0.93 -0.12 -0.92 0.00 0.00 0.00 179.97 179.97 1rxt h TYR 279 N 0.04 -0.31 -0.32 3.04 5.03 -1.63 -2.92 116.97 119.90 1rxt h TYR 279 Ca -0.26 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.14 1rxt h TYR 279 Cb 1.99 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 40.36 1rxt h TYR 279 CO 0.04 -0.19 0.61 1.25 -1.32 0.00 0.00 178.16 178.55 1rxt h LEU 280 N -0.54 0.00 -5.10 2.82 5.85 -1.48 -3.12 115.31 113.74 1rxt h LEU 280 Ca -0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1rxt h LEU 280 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1rxt h LEU 280 CO 0.06 0.00 1.14 0.29 -0.34 0.00 0.00 178.44 179.59 1rxt n LYS 281 N -3.20 1.14 -0.37 1.25 4.01 -1.10 -2.54 118.16 117.35 1rxt n LYS 281 Ca 0.06 -0.79 0.00 0.00 -0.51 0.00 0.00 58.31 57.07 1rxt n LYS 281 Cb 0.74 -2.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 1rxt n LYS 281 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rxt n GLN 282 N 3.61 0.00 -4.93 1.97 10.64 -1.18 -4.99 117.38 122.50 1rxt n GLN 282 Ca 0.24 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.14 1rxt n GLN 282 Cb 0.23 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.46 1rxt n GLN 282 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1rxt s PHE 283 N 0.00 1.90 0.42 2.61 0.40 -1.05 -4.99 117.98 117.26 1rxt s PHE 283 Ca 0.00 -0.36 0.39 0.00 -0.60 0.00 0.00 56.93 56.36 1rxt s PHE 283 Cb 0.00 -1.19 2.03 0.00 0.51 0.00 0.00 43.02 44.36 1rxt s PHE 283 CO 0.00 0.01 2.20 0.45 0.70 0.00 0.00 175.22 178.58 1rxt h HIS 284 N 5.37 0.00 -2.73 0.36 3.86 -1.80 -3.38 115.15 116.84 1rxt h HIS 284 Ca -0.41 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.37 1rxt h HIS 284 Cb 1.14 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.23 1rxt h HIS 284 CO 0.43 0.00 -0.72 -1.17 0.86 0.00 0.00 177.93 177.33 1rxt s LEU 285 N -5.95 0.24 0.02 2.43 2.96 -1.12 -3.39 118.68 113.87 1rxt s LEU 285 Ca -0.03 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1rxt s LEU 285 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.74 1rxt s LEU 285 CO 0.42 -0.38 -0.03 0.42 -1.32 0.00 0.00 176.35 175.46 1rxt s THR 286 N 2.19 0.13 -0.82 3.68 -4.23 -1.02 0.17 115.64 115.75 1rxt s THR 286 Ca 0.06 -0.90 -0.21 0.00 -1.18 0.00 0.00 61.69 59.46 1rxt s THR 286 Cb -0.16 -0.27 0.09 0.00 1.34 0.00 0.00 72.50 73.50 1rxt s THR 286 CO -0.22 -0.48 1.12 -2.16 -0.54 0.00 0.00 174.62 172.33 1rxt s PRO 287 N -1.43 3.38 0.22 3.99 0.04 -1.26 -2.02 135.00 137.92 1rxt s PRO 287 Ca -0.15 -1.21 -0.31 0.00 0.04 0.00 0.00 61.00 59.37 1rxt s PRO 287 Cb -0.10 -4.66 -0.11 0.00 0.04 0.00 0.00 34.50 29.67 1rxt s PRO 287 CO -0.01 -1.88 1.64 0.08 0.04 0.00 0.00 177.00 176.88 1rxt s VAL 288 N 3.74 2.20 0.20 -0.36 1.01 -1.11 -4.98 120.40 121.10 1rxt s VAL 288 Ca 0.30 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1rxt s VAL 288 Cb -0.09 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1rxt s VAL 288 CO -0.00 0.02 -0.12 -0.04 0.00 0.00 0.00 175.10 174.95 1rxt s MET 289 N 0.67 1.31 0.59 2.72 -1.94 -1.26 -4.54 119.30 116.85 1rxt s MET 289 Ca 0.70 -1.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.14 1rxt s MET 289 Cb -0.48 -1.01 0.08 0.00 2.01 0.00 0.00 34.83 35.44 1rxt s MET 289 CO 0.36 0.13 0.82 -1.54 -0.01 0.00 0.00 175.02 174.79 1rxt s SER 290 N -3.30 4.97 0.28 3.03 1.04 -1.26 -4.85 113.70 113.60 1rxt s SER 290 Ca 0.23 -0.57 0.22 0.00 0.48 0.00 0.00 55.95 56.31 1rxt s SER 290 Cb 0.01 -0.04 1.04 0.00 0.10 0.00 0.00 66.02 67.13 1rxt s SER 290 CO 0.06 -1.40 1.67 1.67 0.98 0.00 0.00 173.24 176.22 1rxt n GLN 291 N -2.38 0.16 -0.07 4.02 7.27 -1.26 -1.43 117.38 123.69 1rxt n GLN 291 Ca 0.14 0.51 -0.13 0.00 0.07 0.00 0.00 57.00 57.59 1rxt n GLN 291 Cb 0.61 -1.90 -0.14 0.00 2.41 0.00 0.00 30.24 31.22 1rxt n GLN 291 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1rxt n GLU 292 N -2.22 0.68 0.03 3.69 1.02 -1.26 -3.65 120.64 118.93 1rxt n GLU 292 Ca 0.01 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 1rxt n GLU 292 Cb 0.14 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 1rxt n GLU 292 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1rxt h GLU 293 N 0.01 -0.12 0.00 3.49 5.08 -1.77 -1.02 114.58 120.24 1rxt h GLU 293 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1rxt h GLU 293 Cb 2.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1rxt h GLU 293 CO 0.02 0.34 0.00 0.28 -1.00 0.00 0.00 179.01 178.65 1rxt n VAL 294 N -4.91 0.61 0.62 3.13 0.31 -0.51 0.72 118.33 118.29 1rxt n VAL 294 Ca -0.08 0.15 0.11 0.00 -0.01 0.00 0.00 64.34 64.51 1rxt n VAL 294 Cb 0.26 -1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 1rxt n VAL 294 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1rxt n GLU 295 N -1.22 0.25 -0.14 5.55 2.13 -0.82 -3.97 120.64 122.42 1rxt n GLU 295 Ca 0.05 -0.04 -0.29 0.00 0.66 0.00 0.00 57.16 57.54 1rxt n GLU 295 Cb 0.07 -1.55 -0.10 0.00 0.27 0.00 0.00 31.44 30.13 1rxt n GLU 295 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1rxt n HIS 296 N -1.84 0.04 0.68 4.31 -0.00 0.22 -3.84 115.22 114.79 1rxt n HIS 296 Ca 0.02 0.02 0.03 0.00 0.46 0.00 0.00 57.72 58.25 1rxt n HIS 296 Cb 0.42 -1.00 0.14 0.00 -0.12 0.00 0.00 29.99 29.42 1rxt n HIS 296 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1rxt n TRP 297 N -4.22 0.58 0.00 1.57 7.02 -0.87 -4.28 117.44 117.25 1rxt n TRP 297 Ca -0.54 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 55.72 1rxt n TRP 297 Cb 0.89 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 1rxt n TRP 297 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1rxt n PHE 298 N 0.26 0.00 -1.69 -5.99 3.01 -1.25 -4.99 117.46 106.81 1rxt n PHE 298 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 1rxt n PHE 298 Cb 0.43 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 1rxt n PHE 298 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1rxt n TYR 299 N -1.74 2.64 -1.52 1.38 4.19 -1.25 -4.31 117.16 116.55 1rxt n TYR 299 Ca 0.00 -0.17 -0.53 0.00 3.31 0.00 0.00 57.90 60.51 1rxt n TYR 299 Cb 0.18 -2.74 -0.06 0.00 0.49 0.00 0.00 39.34 37.21 1rxt n TYR 299 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1rxt n PRO 300 N 5.77 0.52 -3.61 2.98 -0.02 -1.26 -4.89 135.00 134.48 1rxt n PRO 300 Ca 0.18 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1rxt n PRO 300 Cb 0.38 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1rxt n PRO 300 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rxt s GLN 301 N -0.23 0.32 0.42 -0.52 -0.21 -0.40 -5.01 119.66 114.03 1rxt s GLN 301 Ca 0.80 0.96 0.34 0.00 0.02 0.00 0.00 55.36 57.48 1rxt s GLN 301 Cb -1.04 0.21 1.38 0.00 1.00 0.00 0.00 33.01 34.56 1rxt s GLN 301 CO 0.54 -0.31 1.36 -1.91 -2.12 0.00 0.00 175.29 172.85 1rxt n GLU 302 N 5.39 -0.02 -1.05 2.91 0.00 -1.26 -3.00 120.64 123.61 1rxt n GLU 302 Ca -0.08 1.03 -0.05 0.00 0.00 0.00 0.00 57.16 58.07 1rxt n GLU 302 Cb 0.50 -2.16 -0.05 0.00 0.00 0.00 0.00 31.44 29.72 1rxt n GLU 302 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1rxt n ASN 303 N -4.15 -0.61 0.00 4.31 3.02 -1.26 -4.82 115.26 111.75 1rxt n ASN 303 Ca 0.37 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1rxt n ASN 303 Cb 1.52 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.87 1rxt n ASN 303 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1rxt n ILE 310 N 0.08 0.00 -3.89 2.41 5.41 -1.16 -4.75 119.36 117.46 1rxt n ILE 310 Ca -0.21 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.43 1rxt n ILE 310 Cb 0.76 -0.09 -0.11 0.00 -0.71 0.00 0.00 39.64 39.49 1rxt n ILE 310 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1rxt s ILE 311 N -0.70 0.06 0.38 1.39 -4.36 -1.26 0.80 121.20 117.51 1rxt s ILE 311 Ca 0.00 -0.54 0.08 0.00 -0.26 0.00 0.00 60.65 59.93 1rxt s ILE 311 Cb 0.00 -0.29 -0.06 0.00 1.25 0.00 0.00 42.46 43.37 1rxt s ILE 311 CO 0.00 -0.29 0.08 -1.81 0.24 0.00 0.00 174.94 173.15 1rxt s ASP 312 N -0.95 4.25 -0.30 4.36 1.01 -1.18 -1.27 116.67 122.59 1rxt s ASP 312 Ca -0.10 -1.06 -0.11 0.00 0.71 0.00 0.00 52.55 51.99 1rxt s ASP 312 Cb -0.06 -0.51 0.18 0.00 1.01 0.00 0.00 42.92 43.55 1rxt s ASP 312 CO 0.00 -0.38 1.00 -0.89 0.21 0.00 0.00 175.17 175.11 1rxt s THR 313 N -2.57 -0.37 -0.27 -1.27 2.01 -1.25 -2.96 115.64 108.96 1rxt s THR 313 Ca 0.37 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1rxt s THR 313 Cb 0.03 -0.69 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 1rxt s THR 313 CO 0.20 0.00 0.05 -0.36 -0.69 0.00 0.00 174.62 173.82 1rxt s PHE 314 N 2.94 3.10 0.68 4.92 0.40 -0.82 -2.24 117.98 126.97 1rxt s PHE 314 Ca 0.12 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.50 1rxt s PHE 314 Cb -0.07 -2.21 0.05 0.00 0.51 0.00 0.00 43.02 41.30 1rxt s PHE 314 CO -0.17 -0.54 0.99 0.54 0.70 0.00 0.00 175.22 176.74 1rxt s VAL 315 N 1.51 2.50 -0.63 -0.44 0.11 -1.02 -1.96 120.40 120.48 1rxt s VAL 315 Ca 0.04 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 58.89 1rxt s VAL 315 Cb -0.16 -3.07 0.17 0.00 -1.53 0.00 0.00 36.38 31.79 1rxt s VAL 315 CO 0.01 -0.07 0.47 0.52 -3.33 0.00 0.00 175.10 172.70 1rxt n VAL 316 N -2.84 0.95 -1.55 2.04 0.31 0.14 -0.65 118.33 116.73 1rxt n VAL 316 Ca 0.07 -4.52 -0.35 0.00 -0.01 0.00 0.00 64.34 59.53 1rxt n VAL 316 Cb 0.60 -2.05 0.08 0.00 -0.91 0.00 0.00 33.84 31.56 1rxt n VAL 316 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1rxt s GLU 317 N -1.13 2.29 0.00 5.55 -6.30 -1.00 -3.88 118.70 114.23 1rxt s GLU 317 Ca 0.27 1.86 0.00 0.00 -2.50 0.00 0.00 54.97 54.60 1rxt s GLU 317 Cb -0.02 -1.84 0.00 0.00 0.00 0.00 0.00 34.13 32.28 1rxt s GLU 317 CO -0.17 -1.75 0.00 0.27 0.02 0.00 0.00 175.26 173.63 1rxt n ASN 318 N -2.43 0.00 0.00 -1.70 6.94 -0.97 -4.48 115.26 112.62 1rxt n ASN 318 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 1rxt n ASN 318 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1rxt n ASN 318 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rxt n ALA 319 N -3.00 0.00 0.47 -2.53 0.00 -1.26 -4.81 120.51 109.38 1rxt n ALA 319 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1rxt n ALA 319 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1rxt n ALA 319 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1rxt h ASN 320 N 0.00 0.00 0.00 0.00 -1.24 -2.01 -3.46 115.58 108.87 1rxt h ASN 320 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1rxt h ASN 320 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1rxt h ASN 320 CO 0.00 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 1rxt n GLY 321 N 1.29 1.04 0.00 1.57 0.00 -1.26 -5.08 105.19 102.76 1rxt n GLY 321 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1rxt n GLY 321 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rxt n GLU 322 N 0.00 0.01 -0.29 1.61 -0.58 -1.26 -4.66 120.64 115.47 1rxt n GLU 322 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1rxt n GLU 322 Cb 0.00 -0.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.36 1rxt n GLU 322 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rxt n VAL 323 N -0.54 0.12 -3.82 2.62 0.31 -1.26 -4.03 118.33 111.74 1rxt n VAL 323 Ca 0.00 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.22 1rxt n VAL 323 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1rxt n VAL 323 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rxt s THR 324 N -0.06 0.00 0.24 2.52 -1.32 -1.26 -2.29 115.64 113.46 1rxt s THR 324 Ca 0.16 -0.91 -0.03 0.00 -1.21 0.00 0.00 61.69 59.71 1rxt s THR 324 Cb -0.23 -2.99 -0.03 0.00 -1.51 0.00 0.00 72.50 67.74 1rxt s THR 324 CO 0.11 0.00 0.25 -1.81 -2.21 0.00 0.00 174.62 170.96 1rxt s ASP 325 N -3.17 0.35 0.11 8.08 1.01 -1.25 -4.43 116.67 117.37 1rxt s ASP 325 Ca 0.17 -1.35 -0.25 0.00 0.71 0.00 0.00 52.55 51.83 1rxt s ASP 325 Cb -0.05 0.47 0.07 0.00 1.01 0.00 0.00 42.92 44.43 1rxt s ASP 325 CO 0.11 -0.97 0.83 0.72 0.21 0.00 0.00 175.17 176.07 1rxt s PHE 326 N -3.95 -0.29 0.19 4.23 -0.71 -0.65 0.23 117.98 117.03 1rxt s PHE 326 Ca 0.35 0.04 0.08 0.00 -1.04 0.00 0.00 56.93 56.37 1rxt s PHE 326 Cb 0.04 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 1rxt s PHE 326 CO 0.14 -0.79 -0.16 -0.48 -1.34 0.00 0.00 175.22 172.60 1rxt s LEU 327 N -2.74 2.51 -0.15 -1.99 -0.00 -0.83 -1.66 118.68 113.81 1rxt s LEU 327 Ca 0.07 -0.95 -0.12 0.00 -0.00 0.00 0.00 54.13 53.14 1rxt s LEU 327 Cb -0.02 -0.73 0.05 0.00 -0.00 0.00 0.00 46.19 45.49 1rxt s LEU 327 CO -0.04 -0.12 0.39 -0.55 -0.00 0.00 0.00 176.35 176.03 1rxt s SER 328 N -3.03 -0.44 -0.26 1.48 0.15 -0.44 -1.94 113.70 109.22 1rxt s SER 328 Ca 0.19 0.81 -0.02 0.00 0.70 0.00 0.00 55.95 57.63 1rxt s SER 328 Cb -0.03 0.77 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 1rxt s SER 328 CO 0.07 -0.16 0.24 0.72 1.20 0.00 0.00 173.24 175.31 1rxt s PHE 329 N 0.68 -0.25 -0.15 3.44 -0.12 -1.16 0.22 117.98 120.64 1rxt s PHE 329 Ca -0.04 -0.18 -0.29 0.00 -0.05 0.00 0.00 56.93 56.36 1rxt s PHE 329 Cb -0.05 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 1rxt s PHE 329 CO -0.05 -0.80 1.44 1.52 -0.05 0.00 0.00 175.22 177.28 1rxt s TYR 330 N 2.30 2.46 0.57 3.49 -0.85 -1.11 -3.10 117.35 121.10 1rxt s TYR 330 Ca 0.08 0.68 -0.21 0.00 -0.52 0.00 0.00 57.07 57.10 1rxt s TYR 330 Cb -0.15 -3.74 -0.04 0.00 0.38 0.00 0.00 41.96 38.41 1rxt s TYR 330 CO -0.27 -2.53 1.35 0.99 -1.52 0.00 0.00 175.55 173.56 1rxt s THR 331 N 4.01 2.07 -0.43 -3.49 2.01 0.24 -3.52 115.64 116.52 1rxt s THR 331 Ca 0.63 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.72 1rxt s THR 331 Cb -0.25 -3.02 0.28 0.00 0.01 0.00 0.00 72.50 69.52 1rxt s THR 331 CO 0.22 -0.00 1.09 -0.11 -0.69 0.00 0.00 174.62 175.12 1rxt n LEU 332 N -1.21 -2.24 -4.74 4.42 0.00 -1.25 -4.82 117.00 107.16 1rxt n LEU 332 Ca 0.11 -2.98 -0.41 0.00 0.00 0.00 0.00 56.01 52.73 1rxt n LEU 332 Cb 0.46 0.84 0.00 0.00 0.00 0.00 0.00 43.42 44.72 1rxt n LEU 332 CO 0.52 1.90 1.00 -2.65 0.00 0.00 0.00 177.39 178.16 1rxt n PRO 333 N 1.08 2.29 -4.08 1.96 -0.02 -1.26 -4.48 135.00 130.49 1rxt n PRO 333 Ca 0.05 0.81 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 1rxt n PRO 333 Cb 0.68 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1rxt n PRO 333 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1rxt s SER 334 N -0.33 5.81 1.08 2.55 0.01 -1.20 -2.64 113.70 118.98 1rxt s SER 334 Ca 0.57 0.21 -0.13 0.00 1.31 0.00 0.00 55.95 57.91 1rxt s SER 334 Cb -0.50 -1.71 0.20 0.00 0.21 0.00 0.00 66.02 64.21 1rxt s SER 334 CO 0.61 0.30 0.82 0.41 0.41 0.00 0.00 173.24 175.79 1rxt n THR 335 N 1.34 0.00 0.00 1.44 -1.04 0.28 -3.85 114.28 112.45 1rxt n THR 335 Ca -0.14 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1rxt n THR 335 Cb 0.53 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1rxt n THR 335 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1rxt n ILE 336 N -4.57 0.00 -0.16 12.58 -5.35 -1.26 -4.28 119.36 116.31 1rxt n ILE 336 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1rxt n ILE 336 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1rxt n ILE 336 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1rxt n MET 337 N 0.00 0.00 -1.43 6.28 2.81 -1.26 -4.39 117.12 119.13 1rxt n MET 337 Ca 0.00 0.00 -0.51 0.00 -1.81 0.00 0.00 57.70 55.38 1rxt n MET 337 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.44 1rxt n MET 337 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1rxt n ASN 338 N 0.00 2.04 -3.70 7.83 3.02 -1.26 -4.91 115.26 118.29 1rxt n ASN 338 Ca 0.00 0.42 -0.11 0.00 -0.03 0.00 0.00 54.58 54.86 1rxt n ASN 338 Cb 0.00 -1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 37.87 1rxt n ASN 338 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1rxt s HIS 339 N 7.25 -0.15 0.00 3.10 3.76 -1.26 -4.97 115.29 123.02 1rxt s HIS 339 Ca 1.10 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1rxt s HIS 339 Cb -0.90 0.17 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1rxt s HIS 339 CO 0.50 -0.61 0.62 -2.30 -0.85 0.00 0.00 174.74 172.10 1rxt n PRO 340 N 0.14 0.00 -0.63 8.40 -0.02 -1.26 -4.64 135.00 136.99 1rxt n PRO 340 Ca -0.17 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1rxt n PRO 340 Cb 0.62 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1rxt n PRO 340 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rxt n THR 341 N -1.21 0.00 -1.58 3.45 -2.24 -1.26 -5.14 114.28 106.30 1rxt n THR 341 Ca 0.00 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1rxt n THR 341 Cb 0.00 0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1rxt n THR 341 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1rxt s HIS 342 N 0.00 2.95 0.42 4.78 4.02 -1.26 -5.07 115.29 121.13 1rxt s HIS 342 Ca 0.02 1.47 -0.07 0.00 1.02 0.00 0.00 55.06 57.50 1rxt s HIS 342 Cb 0.02 -2.95 0.10 0.00 -1.02 0.00 0.00 32.58 28.73 1rxt s HIS 342 CO -0.01 -1.36 0.57 0.36 1.02 0.00 0.00 174.74 175.32 1rxt n LYS 343 N -3.03 -0.54 0.00 1.40 0.00 -1.26 -5.00 118.16 109.73 1rxt n LYS 343 Ca 0.08 -0.90 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 1rxt n LYS 343 Cb 0.53 -0.58 0.00 0.00 -0.00 0.00 0.00 35.03 34.98 1rxt n LYS 343 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rxt n SER 344 N -3.36 0.00 -2.89 -5.58 2.88 -1.26 -4.94 113.62 98.47 1rxt n SER 344 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1rxt n SER 344 Cb 0.25 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.72 1rxt n SER 344 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1rxt s LEU 345 N 0.00 -0.83 -0.36 2.46 0.20 -1.25 -4.82 118.68 114.08 1rxt s LEU 345 Ca 0.00 -0.57 -0.27 0.00 0.69 0.00 0.00 54.13 53.97 1rxt s LEU 345 Cb 0.00 1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 46.77 1rxt s LEU 345 CO 0.00 -0.07 2.24 -1.59 -0.29 0.00 0.00 176.35 176.64 1rxt s LYS 346 N 1.64 2.71 0.61 1.98 0.00 -1.26 -3.24 119.74 122.17 1rxt s LYS 346 Ca 0.18 1.66 -0.08 0.00 0.00 0.00 0.00 55.97 57.74 1rxt s LYS 346 Cb 0.02 -4.44 0.00 0.00 0.00 0.00 0.00 37.83 33.41 1rxt s LYS 346 CO -0.11 -2.59 0.94 0.00 0.00 0.00 0.00 175.35 173.60 1rxt s ALA 347 N 9.80 3.20 -0.33 0.59 0.00 -1.26 -1.66 121.76 132.10 1rxt s ALA 347 Ca 0.96 -0.55 0.16 0.00 0.00 0.00 0.00 51.96 52.54 1rxt s ALA 347 Cb -0.25 -2.74 0.45 0.00 0.00 0.00 0.00 23.12 20.58 1rxt s ALA 347 CO 0.31 -0.82 1.17 0.00 0.00 0.00 0.00 175.76 176.41 1rxt n ALA 348 N -2.66 2.62 -1.13 0.00 0.00 -0.83 -3.78 120.51 114.73 1rxt n ALA 348 Ca 0.05 -2.30 -0.36 0.00 0.00 0.00 0.00 53.44 50.83 1rxt n ALA 348 Cb 0.57 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.15 1rxt n ALA 348 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rxt n TYR 349 N -0.52 -2.47 -3.95 0.00 4.02 -1.23 -3.34 117.16 109.67 1rxt n TYR 349 Ca 0.02 0.26 -0.37 0.00 -0.01 0.00 0.00 57.90 57.80 1rxt n TYR 349 Cb 0.83 -1.73 -0.07 0.00 -0.02 0.00 0.00 39.34 38.36 1rxt n TYR 349 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1rxt s SER 350 N -1.32 6.19 0.00 7.72 1.04 0.12 -2.77 113.70 124.69 1rxt s SER 350 Ca 0.56 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1rxt s SER 350 Cb -0.32 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1rxt s SER 350 CO 0.67 0.39 0.00 0.33 0.98 0.00 0.00 173.24 175.61 1rxt n PHE 351 N 2.14 0.00 -4.41 5.02 7.35 0.13 -4.81 117.46 122.88 1rxt n PHE 351 Ca -0.19 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.29 1rxt n PHE 351 Cb 0.55 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.27 1rxt n PHE 351 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1rxt s TYR 352 N 0.19 1.88 -0.23 -5.13 4.12 -1.23 -4.90 117.35 112.06 1rxt s TYR 352 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 57.07 56.32 1rxt s TYR 352 Cb 0.00 -1.06 0.12 0.00 -1.52 0.00 0.00 41.96 39.50 1rxt s TYR 352 CO 0.00 0.24 0.42 -0.80 0.02 0.00 0.00 175.55 175.43 1rxt s ASN 353 N -3.41 -0.15 -0.29 2.29 0.01 -1.26 -1.33 114.94 110.80 1rxt s ASN 353 Ca 0.29 0.67 0.02 0.00 -0.71 0.00 0.00 52.86 53.13 1rxt s ASN 353 Cb 0.04 1.33 0.08 0.00 0.41 0.00 0.00 41.25 43.11 1rxt s ASN 353 CO 0.11 -0.26 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.73 1rxt s VAL 354 N 2.61 1.91 -0.12 1.60 1.01 -0.67 -5.00 120.40 121.75 1rxt s VAL 354 Ca 0.06 -1.74 -0.10 0.00 0.00 0.00 0.00 61.98 60.20 1rxt s VAL 354 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1rxt s VAL 354 CO -0.15 -0.31 0.20 -1.38 0.00 0.00 0.00 175.10 173.47 1rxt s HIS 355 N 1.16 3.57 0.00 5.22 -3.43 -1.26 -1.63 115.29 118.92 1rxt s HIS 355 Ca 0.00 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 1rxt s HIS 355 Cb -0.19 -2.09 0.00 0.00 -1.43 0.00 0.00 32.58 28.87 1rxt s HIS 355 CO -0.08 0.59 0.00 0.25 -2.00 0.00 0.00 174.74 173.50 1rxt n THR 356 N 2.39 0.00 -0.12 -5.38 -2.24 -1.26 -4.79 114.28 102.88 1rxt n THR 356 Ca -0.17 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 1rxt n THR 356 Cb 0.54 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.70 1rxt n THR 356 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxt n GLN 374 N 0.00 0.63 -1.62 -0.78 -0.00 -1.26 -4.97 117.38 109.38 1rxt n GLN 374 Ca 0.00 0.14 -0.49 0.00 -0.00 0.00 0.00 57.00 56.64 1rxt n GLN 374 Cb 0.00 -1.50 -0.05 0.00 -0.00 0.00 0.00 30.24 28.69 1rxt n GLN 374 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1rxt n THR 375 N -3.21 0.15 -1.59 -0.39 -2.24 -1.26 -4.84 114.28 100.90 1rxt n THR 375 Ca -0.43 -0.04 -0.48 0.00 -2.27 0.00 0.00 64.05 60.83 1rxt n THR 375 Cb 0.97 -1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1rxt n THR 375 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1rxt n PRO 376 N 2.70 1.28 -0.31 -0.78 -0.02 -1.26 -4.81 135.00 131.80 1rxt n PRO 376 Ca 0.17 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1rxt n PRO 376 Cb 0.24 -1.97 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 1rxt n PRO 376 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1rxt n LEU 377 N 2.00 2.77 0.08 2.45 -0.00 -1.26 -4.07 117.00 118.97 1rxt n LEU 377 Ca 0.14 -1.39 0.08 0.00 -0.00 0.00 0.00 56.01 54.84 1rxt n LEU 377 Cb 0.26 -0.38 0.37 0.00 -0.00 0.00 0.00 43.42 43.66 1rxt n LEU 377 CO 0.61 0.56 0.74 -0.11 -0.00 0.00 0.00 177.39 179.20 1rxt n LEU 378 N 0.68 0.34 -0.04 1.47 7.94 -1.26 -1.34 117.00 124.79 1rxt n LEU 378 Ca 0.15 0.61 -0.03 0.00 -1.11 0.00 0.00 56.01 55.64 1rxt n LEU 378 Cb 0.49 -0.60 -0.07 0.00 0.53 0.00 0.00 43.42 43.77 1rxt n LEU 378 CO 0.13 -0.56 -0.76 -0.90 -1.11 0.00 0.00 177.39 174.18 1rxt n ASP 379 N -1.91 2.74 0.26 1.96 5.75 -1.26 -3.92 116.55 120.18 1rxt n ASP 379 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1rxt n ASP 379 Cb 0.12 0.87 0.71 0.00 -1.03 0.00 0.00 41.12 41.79 1rxt n ASP 379 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1rxt h LEU 380 N 0.00 0.00 0.01 -2.12 6.46 -1.54 -0.36 115.31 117.75 1rxt h LEU 380 Ca -0.20 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.27 1rxt h LEU 380 Cb 1.35 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.23 1rxt h LEU 380 CO 0.01 0.12 -1.66 0.24 -0.62 0.00 0.00 178.44 176.53 1rxt h MET 381 N 0.00 0.02 0.19 1.25 2.86 -1.42 -3.32 114.93 114.52 1rxt h MET 381 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1rxt h MET 381 Cb 0.33 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1rxt h MET 381 CO 0.02 0.58 -0.09 1.03 1.06 0.00 0.00 176.91 179.50 1rxt h SER 382 N 0.00 -0.22 -0.88 1.22 0.87 -1.52 -3.11 113.55 109.93 1rxt h SER 382 Ca -0.27 -0.31 0.23 0.00 -1.23 0.00 0.00 61.79 60.21 1rxt h SER 382 Cb 2.00 0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 63.87 1rxt h SER 382 CO 0.08 0.29 0.16 0.44 -0.53 0.00 0.00 176.83 177.27 1rxt h ASP 383 N -0.83 -0.15 -0.67 6.23 3.32 -1.27 0.82 116.42 123.86 1rxt h ASP 383 Ca -0.03 0.21 0.14 0.00 0.02 0.00 0.00 57.03 57.37 1rxt h ASP 383 Cb 0.52 0.32 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 1rxt h ASP 383 CO 0.04 -0.20 -0.15 0.00 -1.72 0.00 0.00 179.24 177.21 1rxt h ALA 384 N 1.81 0.47 -0.35 3.45 0.00 -1.63 0.89 119.26 123.90 1rxt h ALA 384 Ca 0.54 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1rxt h ALA 384 Cb 1.08 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1rxt h ALA 384 CO -0.71 -0.42 0.22 -0.07 0.00 0.00 0.00 179.25 178.27 1rxt h LEU 385 N 0.01 0.40 -0.50 0.00 3.38 0.71 0.51 115.31 119.82 1rxt h LEU 385 Ca 0.33 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 1rxt h LEU 385 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1rxt h LEU 385 CO -0.68 0.30 -0.46 0.58 0.09 0.00 0.00 178.44 178.27 1rxt h VAL 386 N 0.47 0.91 0.04 1.22 2.07 0.13 -2.20 116.25 118.89 1rxt h VAL 386 Ca 0.13 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1rxt h VAL 386 Cb -0.04 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1rxt h VAL 386 CO -0.03 0.45 -0.02 -0.07 0.02 0.00 0.00 177.57 177.93 1rxt h LEU 387 N 0.00 -0.04 -1.37 2.57 -0.00 0.19 -0.86 115.31 115.80 1rxt h LEU 387 Ca -0.00 -0.22 0.25 0.00 -0.00 0.00 0.00 57.88 57.90 1rxt h LEU 387 Cb 1.15 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.73 1rxt h LEU 387 CO 0.06 0.56 0.65 0.00 -0.00 0.00 0.00 178.44 179.71 1rxt h ALA 388 N -0.77 2.18 0.09 1.53 0.00 -0.17 0.39 119.26 122.52 1rxt h ALA 388 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rxt h ALA 388 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rxt h ALA 388 CO 0.01 -0.56 -0.04 -0.22 0.00 0.00 0.00 179.25 178.43 1rxt h LYS 389 N 0.43 -0.12 0.00 0.00 1.63 -1.48 -1.06 116.57 115.97 1rxt h LYS 389 Ca 0.57 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 1rxt h LYS 389 Cb 1.39 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1rxt h LYS 389 CO -0.27 0.39 0.08 0.00 -3.45 0.00 0.00 179.45 176.20 1rxt h MET 390 N -0.90 0.00 -0.21 1.90 -0.00 0.08 0.44 114.93 116.24 1rxt h MET 390 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1rxt h MET 390 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 1rxt h MET 390 CO 0.02 0.00 0.00 1.63 -0.00 0.00 0.00 176.91 178.56 1rxt n LYS 391 N -2.62 1.95 -1.64 -0.10 5.02 0.12 -4.95 118.16 115.94 1rxt n LYS 391 Ca -0.02 -1.42 -0.01 0.00 -2.02 0.00 0.00 58.31 54.84 1rxt n LYS 391 Cb 0.13 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1rxt n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rxt n GLY 392 N 1.23 0.77 3.50 0.72 0.00 0.15 -5.04 105.19 106.52 1rxt n GLY 392 Ca 0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1rxt n GLY 392 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rxt s PHE 393 N -3.02 2.36 -0.52 1.61 2.99 -0.41 -4.89 117.98 116.11 1rxt s PHE 393 Ca 0.02 -0.31 0.17 0.00 0.00 0.00 0.00 56.93 56.80 1rxt s PHE 393 Cb -0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 43.02 41.77 1rxt s PHE 393 CO 0.03 0.68 0.59 -0.25 -0.00 0.00 0.00 175.22 176.27 1rxt n ASP 394 N -0.57 0.89 -3.64 1.36 10.43 -0.66 -4.54 116.55 119.83 1rxt n ASP 394 Ca -0.06 -0.58 -0.04 0.00 2.57 0.00 0.00 54.79 56.67 1rxt n ASP 394 Cb 0.59 1.27 -0.06 0.00 1.84 0.00 0.00 41.12 44.76 1rxt n ASP 394 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1rxt s VAL 395 N -2.77 0.00 -0.33 2.53 0.11 -1.25 -2.65 120.40 116.04 1rxt s VAL 395 Ca 0.02 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1rxt s VAL 395 Cb 0.12 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1rxt s VAL 395 CO 0.69 0.00 0.13 0.12 -3.33 0.00 0.00 175.10 172.71 1rxt s PHE 396 N -0.42 3.20 -0.30 1.54 5.36 -1.26 -1.96 117.98 124.14 1rxt s PHE 396 Ca 0.06 -0.99 -0.10 0.00 -0.96 0.00 0.00 56.93 54.94 1rxt s PHE 396 Cb -0.03 -2.32 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1rxt s PHE 396 CO -0.10 -0.60 0.17 -0.80 -1.46 0.00 0.00 175.22 172.42 1rxt s ASN 397 N 1.51 5.70 -0.05 6.13 0.02 -1.21 -3.84 114.94 123.19 1rxt s ASN 397 Ca 0.02 -0.33 0.05 0.00 -1.02 0.00 0.00 52.86 51.58 1rxt s ASN 397 Cb -0.18 -2.05 -0.01 0.00 0.02 0.00 0.00 41.25 39.04 1rxt s ASN 397 CO 0.04 -0.14 -0.22 0.00 0.02 0.00 0.00 177.10 176.80 1rxt s ALA 398 N 1.67 1.92 0.00 0.60 0.00 -1.24 0.12 121.76 124.83 1rxt s ALA 398 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1rxt s ALA 398 Cb -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1rxt s ALA 398 CO 0.08 0.35 0.00 1.28 0.00 0.00 0.00 175.76 177.47 1rxt n LEU 399 N 3.06 0.00 -4.39 0.00 4.32 -1.26 -2.57 117.00 116.16 1rxt n LEU 399 Ca -0.18 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.52 1rxt n LEU 399 Cb 0.52 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.19 1rxt n LEU 399 CO 0.25 0.00 -0.57 -1.81 -1.22 0.00 0.00 177.39 174.05 1rxt s ASP 400 N -1.00 3.34 0.00 -1.43 1.01 -1.26 -4.68 116.67 112.65 1rxt s ASP 400 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 52.55 52.53 1rxt s ASP 400 Cb 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.69 1rxt s ASP 400 CO 0.00 0.19 0.00 -0.11 0.21 0.00 0.00 175.17 175.46 1rxt n LEU 401 N 0.97 0.00 -0.01 1.23 0.00 -1.24 -4.86 117.00 113.08 1rxt n LEU 401 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1rxt n LEU 401 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 1rxt n LEU 401 CO 0.23 0.00 0.02 1.15 0.00 0.00 0.00 177.39 178.79 1rxt n MET 402 N 0.00 -0.00 -0.17 1.96 3.85 -1.25 -0.32 117.12 121.19 1rxt n MET 402 Ca 0.00 0.04 0.06 0.00 -1.00 0.00 0.00 57.70 56.80 1rxt n MET 402 Cb 0.00 -0.05 0.18 0.00 -1.05 0.00 0.00 33.22 32.29 1rxt n MET 402 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1rxt n GLU 403 N -3.88 1.80 0.17 3.17 -0.58 -1.26 -2.86 120.64 117.20 1rxt n GLU 403 Ca 0.00 -1.24 -0.14 0.00 -0.42 0.00 0.00 57.16 55.36 1rxt n GLU 403 Cb 0.01 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1rxt n GLU 403 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1rxt h ASN 404 N 2.06 -0.31 0.00 1.62 4.21 -1.01 -2.38 115.58 119.77 1rxt h ASN 404 Ca 0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1rxt h ASN 404 Cb 0.47 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1rxt h ASN 404 CO 0.00 -0.21 0.49 0.11 -1.29 0.00 0.00 177.43 176.53 1rxt h LYS 405 N -0.38 0.00 0.00 0.81 6.56 -1.61 -2.05 116.57 119.90 1rxt h LYS 405 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1rxt h LYS 405 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1rxt h LYS 405 CO 0.06 0.00 0.00 2.41 -2.06 0.00 0.00 179.45 179.86 1rxt n THR 406 N -2.17 0.00 0.30 -0.16 -1.04 -0.90 -4.19 114.28 106.12 1rxt n THR 406 Ca -0.01 0.24 0.17 0.00 -2.04 0.00 0.00 64.05 62.41 1rxt n THR 406 Cb 0.50 -0.54 0.88 0.00 -1.82 0.00 0.00 70.33 69.36 1rxt n THR 406 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1rxt h PHE 407 N 0.00 0.00 0.00 -1.42 -5.15 -1.65 -3.33 116.94 105.38 1rxt h PHE 407 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1rxt h PHE 407 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1rxt h PHE 407 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 1rxt n LEU 408 N -2.79 0.00 -0.12 2.10 4.77 -0.78 -2.75 117.00 117.44 1rxt n LEU 408 Ca -0.02 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.27 1rxt n LEU 408 Cb 0.23 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.79 1rxt n LEU 408 CO 0.14 0.00 1.20 -0.33 -1.33 0.00 0.00 177.39 177.07 1rxt h GLU 409 N 0.00 0.47 -0.94 3.23 5.08 -1.78 0.44 114.58 121.07 1rxt h GLU 409 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rxt h GLU 409 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1rxt h GLU 409 CO 0.00 0.31 0.00 0.36 -1.00 0.00 0.00 179.01 178.68 1rxt n LYS 410 N -4.48 0.77 -3.55 2.33 2.85 -1.22 -4.55 118.16 110.31 1rxt n LYS 410 Ca 0.11 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.24 1rxt n LYS 410 Cb 0.37 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.42 1rxt n LYS 410 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1rxt s LEU 411 N 0.00 -0.10 0.00 -5.58 2.96 0.14 -4.99 118.68 111.12 1rxt s LEU 411 Ca 0.00 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1rxt s LEU 411 Cb 0.00 2.18 -0.11 0.00 0.50 0.00 0.00 46.19 48.76 1rxt s LEU 411 CO 0.00 -0.80 0.88 0.29 -1.32 0.00 0.00 176.35 175.41 1rxt n LYS 412 N 0.13 0.00 -4.74 1.98 4.01 -1.26 -4.79 118.16 113.49 1rxt n LYS 412 Ca -0.18 -0.46 -0.24 0.00 -0.51 0.00 0.00 58.31 56.92 1rxt n LYS 412 Cb 0.62 -1.76 -0.16 0.00 -0.51 0.00 0.00 35.03 33.22 1rxt n LYS 412 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1rxt s PHE 413 N 4.43 1.51 0.00 2.13 0.40 -1.10 -2.79 117.98 122.56 1rxt s PHE 413 Ca 0.20 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1rxt s PHE 413 Cb 0.04 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.56 1rxt s PHE 413 CO 0.10 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.31 1rxt n GLY 414 N 3.07 -1.85 2.74 4.36 0.00 -1.26 -4.53 105.19 107.72 1rxt n GLY 414 Ca -0.17 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1rxt n GLY 414 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rxt n ILE 415 N -0.92 1.10 -3.14 -0.61 5.41 -1.26 -4.80 119.36 115.14 1rxt n ILE 415 Ca 0.00 -0.41 -0.20 0.00 1.00 0.00 0.00 62.75 63.14 1rxt n ILE 415 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 1rxt n ILE 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rxt n GLY 416 N 1.77 1.66 0.18 7.39 0.00 -1.26 -4.22 105.19 110.71 1rxt n GLY 416 Ca 0.12 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1rxt n GLY 416 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rxt n ASP 417 N 2.21 -0.24 0.00 1.61 8.00 -1.26 -4.70 116.55 122.17 1rxt n ASP 417 Ca 0.22 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1rxt n ASP 417 Cb 0.53 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1rxt n ASP 417 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxt n GLY 418 N -1.27 4.02 3.65 0.44 0.00 -1.26 -5.13 105.19 105.63 1rxt n GLY 418 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1rxt n GLY 418 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxt s ASN 419 N 1.42 -0.29 -0.01 1.61 4.22 -1.26 -4.52 114.94 116.11 1rxt s ASN 419 Ca 0.00 0.48 -0.13 0.00 -2.14 0.00 0.00 52.86 51.07 1rxt s ASN 419 Cb 0.00 0.96 -0.05 0.00 1.28 0.00 0.00 41.25 43.44 1rxt s ASN 419 CO 0.00 -0.08 0.36 -0.22 -2.04 0.00 0.00 177.10 175.12 1rxt s LEU 420 N 0.93 4.44 0.09 3.54 2.96 -0.88 -4.75 118.68 125.00 1rxt s LEU 420 Ca -0.05 0.85 0.10 0.00 -0.22 0.00 0.00 54.13 54.81 1rxt s LEU 420 Cb -0.03 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1rxt s LEU 420 CO -0.12 0.32 -0.25 0.00 -1.32 0.00 0.00 176.35 174.97 1rxt s GLN 421 N -1.19 1.52 0.06 1.98 -2.07 -1.25 -0.22 119.66 118.48 1rxt s GLN 421 Ca 0.24 -1.20 0.01 0.00 -1.82 0.00 0.00 55.36 52.59 1rxt s GLN 421 Cb -0.15 -1.83 -0.04 0.00 -1.09 0.00 0.00 33.01 29.90 1rxt s GLN 421 CO 0.12 0.45 0.16 0.71 -1.32 0.00 0.00 175.29 175.42 1rxt s TYR 422 N -0.95 3.40 0.15 9.60 1.51 -1.09 -3.30 117.35 126.67 1rxt s TYR 422 Ca 0.12 0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 56.31 1rxt s TYR 422 Cb -0.10 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1rxt s TYR 422 CO 0.04 0.57 0.20 0.71 -1.11 0.00 0.00 175.55 175.95 1rxt s TYR 423 N -1.45 0.57 -0.07 2.71 1.51 -0.98 -0.34 117.35 119.30 1rxt s TYR 423 Ca 0.32 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1rxt s TYR 423 Cb -0.13 -0.22 0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1rxt s TYR 423 CO 0.25 -0.64 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.49 1rxt s LEU 424 N -3.00 1.12 -0.00 -1.29 1.43 -1.26 -3.74 118.68 111.94 1rxt s LEU 424 Ca 0.20 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1rxt s LEU 424 Cb 0.05 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 1rxt s LEU 424 CO 0.01 -0.10 0.70 0.22 0.23 0.00 0.00 176.35 177.41 1rxt h TYR 425 N 7.70 -0.24 -0.37 0.29 3.20 -1.88 -3.39 116.97 122.28 1rxt h TYR 425 Ca -0.30 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.44 1rxt h TYR 425 Cb 1.14 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 1rxt h TYR 425 CO 0.49 -0.15 0.03 0.09 -1.64 0.00 0.00 178.16 176.97 1rxt n ASN 426 N -3.06 3.36 -4.26 -2.11 5.03 -1.26 -4.95 115.26 108.00 1rxt n ASN 426 Ca -0.03 -3.38 -0.29 0.00 0.87 0.00 0.00 54.58 51.75 1rxt n ASN 426 Cb 0.10 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.09 1rxt n ASN 426 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1rxt s TRP 427 N -3.04 2.04 -0.16 3.10 -0.11 -1.26 -4.94 118.94 114.57 1rxt s TRP 427 Ca 0.45 -0.39 -0.01 0.00 1.22 0.00 0.00 56.10 57.37 1rxt s TRP 427 Cb 0.38 -1.30 -0.01 0.00 -1.50 0.00 0.00 33.47 31.04 1rxt s TRP 427 CO 0.05 -0.01 -0.11 -1.59 -4.62 0.00 0.00 176.95 170.67 1rxt s LYS 428 N -0.63 3.36 -0.17 5.86 0.00 -1.26 -4.88 119.74 122.02 1rxt s LYS 428 Ca 0.09 -0.67 -0.33 0.00 0.00 0.00 0.00 55.97 55.06 1rxt s LYS 428 Cb -0.09 -2.74 0.14 0.00 0.00 0.00 0.00 37.83 35.15 1rxt s LYS 428 CO -0.00 0.08 1.15 0.00 0.00 0.00 0.00 175.35 176.57 1rxt n PRO 430 N 0.11 -1.45 -3.32 0.00 -0.02 -1.26 -5.05 135.00 124.00 1rxt n PRO 430 Ca -0.03 -0.39 -0.21 0.00 -2.02 0.00 0.00 63.50 60.86 1rxt n PRO 430 Cb 0.59 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1rxt n PRO 430 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rxt s SER 431 N -2.16 5.08 0.28 2.55 1.04 -1.26 -5.04 113.70 114.18 1rxt s SER 431 Ca 0.62 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 1rxt s SER 431 Cb -0.19 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 1rxt s SER 431 CO 0.65 -1.07 0.44 -0.04 0.98 0.00 0.00 173.24 174.21 1rxt s MET 432 N -4.43 1.65 0.77 4.02 1.00 -1.24 -5.13 119.30 115.94 1rxt s MET 432 Ca 0.52 -1.48 -0.07 0.00 0.00 0.00 0.00 55.69 54.65 1rxt s MET 432 Cb -0.05 0.44 0.11 0.00 0.00 0.00 0.00 34.83 35.33 1rxt s MET 432 CO 0.32 -0.68 1.08 0.20 0.00 0.00 0.00 175.02 175.94 1rxt s GLY 433 N -3.11 1.73 0.42 -0.03 0.00 -1.26 -4.76 107.32 100.31 1rxt s GLY 433 Ca 0.27 -1.22 0.18 0.00 0.00 0.00 0.00 44.72 43.95 1rxt s GLY 433 CO 0.13 -0.69 1.85 0.00 0.00 0.00 0.00 173.10 174.40 1rxt h ALA 447 N -0.82 2.21 0.00 3.20 0.00 -1.96 0.54 119.26 122.43 1rxt h ALA 447 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rxt h ALA 447 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rxt h ALA 447 CO 0.49 -0.50 0.11 -0.85 0.00 0.00 0.00 179.25 178.50 1rxt n GLU 448 N -4.51 0.12 -0.05 0.00 -0.00 -1.26 -2.04 120.64 112.89 1rxt n GLU 448 Ca 0.20 0.61 -0.02 0.00 -0.00 0.00 0.00 57.16 57.94 1rxt n GLU 448 Cb 0.71 -2.00 -0.12 0.00 -0.00 0.00 0.00 31.44 30.03 1rxt n GLU 448 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1rxt n LYS 449 N -2.17 1.22 -1.79 3.44 4.01 0.18 -4.05 118.16 119.00 1rxt n LYS 449 Ca -0.01 -0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.31 1rxt n LYS 449 Cb 0.14 -1.38 -0.03 0.00 -0.51 0.00 0.00 35.03 33.25 1rxt n LYS 449 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1rxt s VAL 450 N -2.61 2.46 -0.08 -0.18 1.01 -0.86 -2.66 120.40 117.47 1rxt s VAL 450 Ca -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1rxt s VAL 450 Cb 0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1rxt s VAL 450 CO 0.62 0.01 -0.09 0.61 0.00 0.00 0.00 175.10 176.25 1rxt n GLY 451 N 4.02 -0.12 3.55 4.51 0.00 0.13 -4.40 105.19 112.88 1rxt n GLY 451 Ca 0.16 -0.05 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 1rxt n GLY 451 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rxt n ILE 452 N -3.02 0.34 -2.65 -0.61 5.41 -0.72 -4.84 119.36 113.26 1rxt n ILE 452 Ca -0.15 -0.28 -0.41 0.00 1.00 0.00 0.00 62.75 62.91 1rxt n ILE 452 Cb 0.63 -1.98 0.02 0.00 -0.71 0.00 0.00 39.64 37.60 1rxt n ILE 452 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1rxt n VAL 453 N 6.84 6.06 -0.95 1.39 0.31 -1.26 -4.93 118.33 125.78 1rxt n VAL 453 Ca 0.33 -5.98 -0.39 0.00 -0.01 0.00 0.00 64.34 58.28 1rxt n VAL 453 Cb 0.31 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.63 1rxt n VAL 453 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1rxt n LEU 454 N -0.04 3.57 0.00 7.52 0.00 -1.26 -5.03 117.00 121.76 1rxt n LEU 454 Ca 0.46 -2.61 0.00 0.00 0.00 0.00 0.00 56.01 53.87 1rxt n LEU 454 Cb 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 43.42 42.69 1rxt n LEU 454 CO 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 177.39 177.39