#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r82 s VAL 64 N 0.00 4.54 0.47 1.12 1.01 -1.26 -5.02 120.40 121.26 1r82 s VAL 64 Ca 0.00 1.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1r82 s VAL 64 Cb 0.00 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1r82 s VAL 64 CO 0.00 -0.49 1.31 -0.44 0.00 0.00 0.00 175.10 175.49 1r82 s SER 65 N -2.70 5.86 0.52 3.32 0.01 -1.26 -5.01 113.70 114.43 1r82 s SER 65 Ca 0.58 2.66 -0.17 0.00 1.31 0.00 0.00 55.95 60.33 1r82 s SER 65 Cb -0.10 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 1r82 s SER 65 CO 0.24 -1.16 0.99 -0.76 0.41 0.00 0.00 173.24 172.96 1r82 s LEU 66 N -2.97 3.64 0.76 2.44 1.43 -1.26 -5.06 118.68 117.65 1r82 s LEU 66 Ca 0.64 1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1r82 s LEU 66 Cb -0.38 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.42 1r82 s LEU 66 CO 0.47 -0.62 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 1r82 s PRO 67 N -4.01 1.92 0.30 1.29 0.04 -1.26 -4.99 135.00 128.29 1r82 s PRO 67 Ca 0.59 -0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 1r82 s PRO 67 Cb -0.10 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1r82 s PRO 67 CO 0.30 -1.47 1.60 0.50 0.04 0.00 0.00 177.00 177.97 1r82 s ARG 68 N -5.39 4.12 -0.00 4.56 3.52 -1.26 -4.99 118.95 119.50 1r82 s ARG 68 Ca 0.63 2.59 0.01 0.00 -0.13 0.00 0.00 55.73 58.82 1r82 s ARG 68 Cb -0.10 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1r82 s ARG 68 CO 0.47 -0.64 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.65 1r82 s MET 69 N -0.57 0.23 -0.24 5.12 -1.94 -1.26 -5.13 119.30 115.51 1r82 s MET 69 Ca 0.63 -0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 54.44 1r82 s MET 69 Cb -0.48 -0.21 -0.00 0.00 2.01 0.00 0.00 34.83 36.15 1r82 s MET 69 CO 0.49 0.06 -0.01 0.08 -0.01 0.00 0.00 175.02 175.62 1r82 s VAL 70 N -0.13 3.49 0.21 -6.03 1.01 -1.26 -5.08 120.40 112.61 1r82 s VAL 70 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1r82 s VAL 70 Cb -0.01 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1r82 s VAL 70 CO -0.00 0.31 0.56 -0.72 0.00 0.00 0.00 175.10 175.26 1r82 s TYR 71 N 1.47 -0.13 0.30 5.22 -0.85 -1.26 -5.14 117.35 116.96 1r82 s TYR 71 Ca 0.04 -0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 1r82 s TYR 71 Cb -0.15 0.45 -0.12 0.00 0.38 0.00 0.00 41.96 42.52 1r82 s TYR 71 CO -0.02 -0.98 1.48 -2.30 -1.52 0.00 0.00 175.55 172.22 1r82 n PRO 72 N -0.37 2.44 -2.21 -3.49 -0.02 -1.26 -4.94 135.00 125.16 1r82 n PRO 72 Ca -0.09 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1r82 n PRO 72 Cb 0.62 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1r82 n PRO 72 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1r82 s GLN 73 N -0.98 4.37 0.34 -0.52 0.74 -1.26 -4.97 119.66 117.38 1r82 s GLN 73 Ca 0.62 2.06 -0.28 0.00 0.05 0.00 0.00 55.36 57.81 1r82 s GLN 73 Cb -0.54 -3.20 -0.10 0.00 1.10 0.00 0.00 33.01 30.27 1r82 s GLN 73 CO 0.54 -0.29 1.25 -1.25 -0.55 0.00 0.00 175.29 174.99 1r82 s PRO 74 N 0.10 4.33 -0.46 1.67 0.04 -1.26 -4.98 135.00 134.44 1r82 s PRO 74 Ca 0.58 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 1r82 s PRO 74 Cb -0.37 -3.01 0.08 0.00 0.04 0.00 0.00 34.50 31.24 1r82 s PRO 74 CO 0.37 -0.16 0.36 0.15 0.04 0.00 0.00 177.00 177.77 1r82 s LYS 75 N -1.83 2.84 0.31 4.56 1.02 -1.26 -4.97 119.74 120.41 1r82 s LYS 75 Ca 0.50 -1.44 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1r82 s LYS 75 Cb -0.37 -4.03 0.68 0.00 -0.52 0.00 0.00 37.83 33.58 1r82 s LYS 75 CO 0.48 -1.05 1.84 0.28 -0.92 0.00 0.00 175.35 175.99 1r82 h VAL 76 N 5.89 0.86 -0.46 3.17 2.07 -2.02 -0.72 116.25 125.04 1r82 h VAL 76 Ca -0.27 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1r82 h VAL 76 Cb 1.10 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1r82 h VAL 76 CO 0.86 0.16 0.03 0.18 0.02 0.00 0.00 177.57 178.81 1r82 n LEU 77 N -4.62 4.69 -3.53 2.57 4.77 -1.26 -4.72 117.00 114.90 1r82 n LEU 77 Ca 0.19 -2.39 -0.25 0.00 -0.03 0.00 0.00 56.01 53.54 1r82 n LEU 77 Cb 0.43 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1r82 n LEU 77 CO 0.27 0.56 -0.29 -0.89 -1.33 0.00 0.00 177.39 175.71 1r82 s THR 78 N -2.35 -0.16 0.77 -5.08 2.01 -0.28 -5.15 115.64 105.39 1r82 s THR 78 Ca 0.42 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1r82 s THR 78 Cb 0.32 -0.83 0.06 0.00 0.01 0.00 0.00 72.50 72.06 1r82 s THR 78 CO 0.12 -0.50 1.13 -2.84 -0.69 0.00 0.00 174.62 171.84 1r82 s PRO 79 N 2.18 2.11 0.02 4.92 0.02 -1.26 -4.53 135.00 138.46 1r82 s PRO 79 Ca 0.07 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.35 1r82 s PRO 79 Cb -0.16 -1.86 -0.35 0.00 0.02 0.00 0.00 34.50 32.15 1r82 s PRO 79 CO -0.26 -1.79 0.96 0.00 -0.33 0.00 0.00 177.00 175.59 1r82 s ARG 81 N -2.60 1.06 0.00 0.00 1.81 -1.26 -4.93 118.95 113.03 1r82 s ARG 81 Ca -0.10 -0.14 0.12 0.00 -1.72 0.00 0.00 55.73 53.90 1r82 s ARG 81 Cb 0.04 -1.11 -0.08 0.00 -0.45 0.00 0.00 34.95 33.35 1r82 s ARG 81 CO 0.94 -0.15 0.60 1.63 -0.68 0.00 0.00 175.30 177.64 1r82 n LYS 82 N 4.43 2.55 0.00 3.54 5.02 -1.26 -4.48 118.16 127.96 1r82 n LYS 82 Ca -0.18 -0.27 0.12 0.00 -2.02 0.00 0.00 58.31 55.95 1r82 n LYS 82 Cb 0.51 -1.12 0.16 0.00 -0.02 0.00 0.00 35.03 34.56 1r82 n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1r82 n ASP 83 N -0.86 1.22 -3.93 4.39 5.75 -1.26 -4.97 116.55 116.89 1r82 n ASP 83 Ca 0.03 -0.98 -0.08 0.00 -0.01 0.00 0.00 54.79 53.76 1r82 n ASP 83 Cb 0.22 0.40 -0.08 0.00 -1.03 0.00 0.00 41.12 40.63 1r82 n ASP 83 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1r82 s VAL 84 N -2.67 0.16 -0.14 2.12 -7.23 -1.26 -5.12 120.40 106.26 1r82 s VAL 84 Ca 0.18 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 1r82 s VAL 84 Cb 0.18 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1r82 s VAL 84 CO 0.63 -0.74 1.16 -0.22 -0.31 0.00 0.00 175.10 175.61 1r82 s LEU 85 N -2.80 4.20 0.00 1.32 2.96 -1.26 -4.92 118.68 118.18 1r82 s LEU 85 Ca 0.04 1.63 0.15 0.00 -0.22 0.00 0.00 54.13 55.74 1r82 s LEU 85 Cb 0.05 -3.55 0.15 0.00 0.50 0.00 0.00 46.19 43.35 1r82 s LEU 85 CO -0.10 -0.64 1.03 1.33 -1.32 0.00 0.00 176.35 176.64 1r82 n VAL 86 N 5.03 0.10 -3.75 1.68 0.24 -1.26 -4.76 118.33 115.61 1r82 n VAL 86 Ca 0.12 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 1r82 n VAL 86 Cb 0.46 1.24 -0.11 0.00 -1.47 0.00 0.00 33.84 33.96 1r82 n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r82 s VAL 87 N -1.27 -0.01 0.76 3.34 0.11 -1.26 -0.65 120.40 121.42 1r82 s VAL 87 Ca 0.20 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.16 1r82 s VAL 87 Cb 0.13 -0.48 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1r82 s VAL 87 CO 0.20 0.01 1.14 0.42 -3.33 0.00 0.00 175.10 173.54 1r82 s THR 88 N 0.48 2.74 -0.41 5.04 -4.23 0.25 -4.90 115.64 114.62 1r82 s THR 88 Ca -0.02 0.23 0.20 0.00 -1.18 0.00 0.00 61.69 60.92 1r82 s THR 88 Cb -0.04 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.77 1r82 s THR 88 CO -0.03 -0.31 1.61 -2.65 -0.54 0.00 0.00 174.62 172.70 1r82 n PRO 89 N -3.16 0.14 -0.78 3.99 -0.02 -1.26 -0.87 135.00 133.04 1r82 n PRO 89 Ca 0.07 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1r82 n PRO 89 Cb 0.59 -1.87 0.33 0.00 -0.02 0.00 0.00 33.50 32.54 1r82 n PRO 89 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1r82 n TRP 90 N -2.15 1.77 -3.17 6.00 2.14 -1.26 -4.95 117.44 115.82 1r82 n TRP 90 Ca 0.00 -0.91 -0.20 0.00 2.07 0.00 0.00 57.50 58.47 1r82 n TRP 90 Cb 0.10 -0.49 0.05 0.00 -0.81 0.00 0.00 31.31 30.16 1r82 n TRP 90 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1r82 n LEU 91 N 0.04 -2.86 -4.63 5.67 4.77 -0.04 -5.02 117.00 114.93 1r82 n LEU 91 Ca 0.29 -0.35 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1r82 n LEU 91 Cb 1.14 -2.67 -0.10 0.00 -2.33 0.00 0.00 43.42 39.46 1r82 n LEU 91 CO 0.29 0.38 -0.26 0.00 -1.33 0.00 0.00 177.39 176.47 1r82 s ALA 92 N -3.18 3.38 0.50 -1.18 0.00 -1.26 -4.86 121.76 115.16 1r82 s ALA 92 Ca 0.38 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1r82 s ALA 92 Cb -0.17 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.02 1r82 s ALA 92 CO 0.47 0.21 1.32 -2.14 0.00 0.00 0.00 175.76 175.62 1r82 s PRO 93 N 0.29 3.45 -0.28 0.00 0.02 -1.25 -0.58 135.00 136.65 1r82 s PRO 93 Ca 0.03 2.15 -0.06 0.00 0.02 0.00 0.00 61.00 63.14 1r82 s PRO 93 Cb -0.12 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1r82 s PRO 93 CO 0.00 -0.92 0.05 0.42 -0.33 0.00 0.00 177.00 176.22 1r82 s ILE 94 N -1.33 3.78 -0.47 2.83 1.01 0.17 -1.31 121.20 125.88 1r82 s ILE 94 Ca 0.67 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 1r82 s ILE 94 Cb -0.38 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1r82 s ILE 94 CO 0.46 0.15 1.20 -0.69 0.00 0.00 0.00 174.94 176.06 1r82 s VAL 95 N 1.48 4.13 0.14 2.92 1.01 -0.05 -4.69 120.40 125.34 1r82 s VAL 95 Ca 0.03 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.22 1r82 s VAL 95 Cb -0.17 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1r82 s VAL 95 CO 0.01 -0.98 -0.15 0.26 0.00 0.00 0.00 175.10 174.24 1r82 s TRP 96 N 4.68 1.51 0.30 5.22 0.52 -1.26 -2.15 118.94 127.76 1r82 s TRP 96 Ca 0.50 -0.54 -0.29 0.00 0.02 0.00 0.00 56.10 55.79 1r82 s TRP 96 Cb -0.08 -0.78 -0.11 0.00 -1.15 0.00 0.00 33.47 31.36 1r82 s TRP 96 CO 0.32 0.19 1.45 -2.00 0.02 0.00 0.00 176.95 176.94 1r82 s GLU 97 N -2.76 4.23 0.00 4.98 2.56 -1.26 -2.14 118.70 124.31 1r82 s GLU 97 Ca 0.11 2.39 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1r82 s GLU 97 Cb -0.05 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 33.02 1r82 s GLU 97 CO 0.04 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.71 1r82 n GLY 98 N 1.62 0.95 0.02 -1.50 0.00 -1.26 -4.92 105.19 100.11 1r82 n GLY 98 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1r82 n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r82 n THR 99 N -1.86 0.11 -4.11 2.61 -2.24 -0.91 -4.76 114.28 103.13 1r82 n THR 99 Ca 0.00 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1r82 n THR 99 Cb 0.00 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 1r82 n THR 99 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1r82 s PHE 100 N -3.14 0.87 -0.44 4.78 -0.12 -1.26 -5.04 117.98 113.62 1r82 s PHE 100 Ca 0.05 -0.47 -0.14 0.00 -0.05 0.00 0.00 56.93 56.32 1r82 s PHE 100 Cb 0.15 -0.51 0.06 0.00 -0.63 0.00 0.00 43.02 42.09 1r82 s PHE 100 CO 0.80 -0.03 0.34 1.21 -0.05 0.00 0.00 175.22 177.48 1r82 s ASN 101 N -1.58 6.03 0.55 1.98 3.84 -1.26 -4.95 114.94 119.54 1r82 s ASN 101 Ca -0.07 -1.22 0.30 0.00 0.21 0.00 0.00 52.86 52.08 1r82 s ASN 101 Cb -0.10 -2.14 1.58 0.00 -0.55 0.00 0.00 41.25 40.05 1r82 s ASN 101 CO 0.01 -0.56 2.11 -0.29 -2.79 0.00 0.00 177.10 175.58 1r82 h ILE 102 N 5.78 0.45 -0.45 -5.21 6.09 -1.99 -2.60 117.51 119.59 1r82 h ILE 102 Ca -0.27 -0.43 -0.12 0.00 -1.37 0.00 0.00 64.86 62.67 1r82 h ILE 102 Cb 1.11 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 1r82 h ILE 102 CO 0.81 0.08 -0.20 0.44 -3.07 0.00 0.00 178.15 176.22 1r82 h ASP 103 N 0.00 0.95 -0.22 2.19 3.32 -1.99 0.17 116.42 120.83 1r82 h ASP 103 Ca -0.00 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1r82 h ASP 103 Cb 0.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1r82 h ASP 103 CO 0.01 1.13 -0.06 0.40 -1.72 0.00 0.00 179.24 179.00 1r82 h ILE 104 N 0.76 1.29 -0.69 0.35 2.04 -1.91 -2.27 117.51 117.09 1r82 h ILE 104 Ca 0.10 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1r82 h ILE 104 Cb 0.76 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1r82 h ILE 104 CO 0.06 0.33 0.23 -0.07 0.00 0.00 0.00 178.15 178.71 1r82 h LEU 105 N 0.17 0.98 -0.91 1.44 3.38 -1.39 -1.70 115.31 117.29 1r82 h LEU 105 Ca 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1r82 h LEU 105 Cb 0.53 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1r82 h LEU 105 CO 0.02 0.92 0.54 0.78 0.09 0.00 0.00 178.44 180.79 1r82 h ASN 106 N 0.99 1.10 0.08 -0.43 2.35 -0.62 -1.44 115.58 117.61 1r82 h ASN 106 Ca 0.22 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1r82 h ASN 106 Cb 0.27 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1r82 h ASN 106 CO -0.01 0.85 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.25 1r82 h GLU 107 N 1.26 -0.10 -0.48 0.81 4.39 -1.06 -0.45 114.58 118.95 1r82 h GLU 107 Ca 0.33 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.09 1r82 h GLU 107 Cb -0.04 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1r82 h GLU 107 CO -0.06 -0.02 0.18 1.96 -1.16 0.00 0.00 179.01 179.91 1r82 h GLN 108 N -0.15 0.36 0.00 2.33 4.20 -0.95 -1.44 115.11 119.46 1r82 h GLN 108 Ca -0.01 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1r82 h GLN 108 Cb 0.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1r82 h GLN 108 CO 0.02 0.24 -0.81 0.74 -0.67 0.00 0.00 178.83 178.34 1r82 h PHE 109 N 0.37 0.00 -0.11 2.96 -1.00 -1.19 -3.22 116.94 114.75 1r82 h PHE 109 Ca 0.22 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.84 1r82 h PHE 109 Cb 0.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1r82 h PHE 109 CO -0.15 0.81 -0.62 0.00 -1.61 0.00 0.00 178.31 176.75 1r82 h ARG 110 N 0.00 0.40 0.00 1.51 2.47 -0.85 -2.47 114.38 115.43 1r82 h ARG 110 Ca -0.01 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1r82 h ARG 110 Cb 1.45 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 1r82 h ARG 110 CO 0.11 0.89 0.00 -0.07 0.56 0.00 0.00 179.97 181.46 1r82 h LEU 111 N 0.29 0.00 -2.01 3.04 3.38 -1.28 0.56 115.31 119.29 1r82 h LEU 111 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r82 h LEU 111 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1r82 h LEU 111 CO 0.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1r82 n GLN 112 N -2.83 2.36 -3.91 1.13 6.02 -1.00 -4.87 117.38 114.29 1r82 n GLN 112 Ca -0.01 -2.00 -0.25 0.00 -0.01 0.00 0.00 57.00 54.73 1r82 n GLN 112 Cb 0.17 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 1r82 n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1r82 n ASN 113 N 1.36 -0.80 -4.74 1.08 5.15 0.19 -4.87 115.26 112.63 1r82 n ASN 113 Ca 0.16 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 1r82 n ASN 113 Cb 0.60 -3.30 -0.02 0.00 -0.53 0.00 0.00 39.78 36.52 1r82 n ASN 113 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1r82 s THR 114 N -3.84 2.39 -0.15 -0.44 2.01 -0.97 -4.95 115.64 109.69 1r82 s THR 114 Ca 0.06 0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 1r82 s THR 114 Cb -0.03 -3.20 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 1r82 s THR 114 CO 0.87 0.04 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.81 1r82 s THR 115 N 0.34 2.79 -0.16 -0.82 2.01 -1.26 -3.32 115.64 115.22 1r82 s THR 115 Ca 0.64 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1r82 s THR 115 Cb -0.45 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1r82 s THR 115 CO 0.41 0.51 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.18 1r82 s ILE 116 N 0.77 3.83 -0.12 1.82 1.09 -0.19 -0.65 121.20 127.74 1r82 s ILE 116 Ca -0.06 -0.38 -0.10 0.00 -1.10 0.00 0.00 60.65 59.01 1r82 s ILE 116 Cb -0.15 -2.68 -0.05 0.00 -1.06 0.00 0.00 42.46 38.52 1r82 s ILE 116 CO 0.01 0.48 0.21 -0.83 -0.10 0.00 0.00 174.94 174.71 1r82 s GLY 117 N 0.49 2.20 -0.22 6.18 0.00 0.63 -1.12 107.32 115.48 1r82 s GLY 117 Ca -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.16 1r82 s GLY 117 CO 0.03 -0.03 -0.14 -2.27 0.00 0.00 0.00 173.10 170.68 1r82 s LEU 118 N -0.48 2.67 -0.10 0.66 2.96 -0.41 -0.34 118.68 123.65 1r82 s LEU 118 Ca 0.15 -1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.04 1r82 s LEU 118 Cb -0.13 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1r82 s LEU 118 CO 0.04 -0.11 0.02 0.42 -1.32 0.00 0.00 176.35 175.40 1r82 s THR 119 N 1.24 4.44 -0.00 3.68 -4.23 -0.02 -0.71 115.64 120.04 1r82 s THR 119 Ca -0.02 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1r82 s THR 119 Cb -0.16 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 1r82 s THR 119 CO -0.09 0.59 0.11 0.68 -0.54 0.00 0.00 174.62 175.37 1r82 s VAL 120 N -0.70 0.08 -0.11 2.29 -7.23 -0.68 -2.45 120.40 111.61 1r82 s VAL 120 Ca 0.11 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1r82 s VAL 120 Cb -0.12 -0.38 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 1r82 s VAL 120 CO 0.02 -0.36 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.00 1r82 s PHE 121 N -1.23 2.88 -0.35 2.82 0.40 -1.26 -1.30 117.98 119.94 1r82 s PHE 121 Ca -0.13 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1r82 s PHE 121 Cb -0.07 -1.81 0.14 0.00 0.51 0.00 0.00 43.02 41.78 1r82 s PHE 121 CO 0.01 0.02 0.21 0.00 0.70 0.00 0.00 175.22 176.16 1r82 s ALA 122 N -0.08 0.94 0.10 5.36 0.00 0.33 -4.49 121.76 123.93 1r82 s ALA 122 Ca -0.00 -1.85 0.06 0.00 0.00 0.00 0.00 51.96 50.16 1r82 s ALA 122 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1r82 s ALA 122 CO 0.03 -2.09 -0.03 0.42 0.00 0.00 0.00 175.76 174.09 1r82 s ILE 123 N 1.09 3.78 0.00 0.00 1.09 -1.26 -3.88 121.20 122.02 1r82 s ILE 123 Ca 0.18 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 1r82 s ILE 123 Cb -0.23 -2.80 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1r82 s ILE 123 CO -0.00 0.10 0.00 0.29 -0.10 0.00 0.00 174.94 175.23 1r82 n LYS 124 N 0.57 0.00 0.24 2.79 5.02 -1.26 -1.90 118.16 123.62 1r82 n LYS 124 Ca -0.12 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.34 1r82 n LYS 124 Cb 0.52 0.00 0.82 0.00 -0.02 0.00 0.00 35.03 36.35 1r82 n LYS 124 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1r82 h LYS 125 N 0.00 0.00 0.00 1.97 -0.00 -2.05 -2.94 116.57 113.55 1r82 h LYS 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1r82 h LYS 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1r82 h LYS 125 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.11 1r82 n TYR 126 N -2.67 0.34 0.30 0.07 4.02 -0.80 -2.54 117.16 115.89 1r82 n TYR 126 Ca -0.01 0.13 0.19 0.00 -0.01 0.00 0.00 57.90 58.20 1r82 n TYR 126 Cb 0.11 -0.71 0.92 0.00 -0.02 0.00 0.00 39.34 39.63 1r82 n TYR 126 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1r82 h VAL 127 N 0.00 0.08 0.00 -0.72 -1.51 -1.70 -1.93 116.25 110.47 1r82 h VAL 127 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1r82 h VAL 127 Cb 0.31 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1r82 h VAL 127 CO 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 1r82 h ALA 128 N 1.98 1.00 0.00 5.19 0.00 -1.76 -2.77 119.26 122.90 1r82 h ALA 128 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r82 h ALA 128 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1r82 h ALA 128 CO 0.00 0.00 -0.51 1.19 0.00 0.00 0.00 179.25 179.93 1r82 n PHE 129 N -2.77 0.30 -0.22 0.00 3.01 -0.72 -4.39 117.46 112.67 1r82 n PHE 129 Ca 0.00 0.09 -0.04 0.00 1.01 0.00 0.00 57.45 58.51 1r82 n PHE 129 Cb 0.23 -0.49 0.07 0.00 -0.01 0.00 0.00 39.48 39.27 1r82 n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1r82 h LEU 130 N 0.00 0.63 0.09 4.37 3.38 -1.63 -2.29 115.31 119.86 1r82 h LEU 130 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1r82 h LEU 130 Cb 0.63 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1r82 h LEU 130 CO 0.00 0.44 -0.26 0.50 0.09 0.00 0.00 178.44 179.20 1r82 h LYS 131 N 0.76 -0.44 -0.55 1.13 3.64 -1.80 0.72 116.57 120.03 1r82 h LYS 131 Ca 0.26 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1r82 h LYS 131 Cb 0.04 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1r82 h LYS 131 CO -0.11 -0.29 -0.04 1.25 -2.27 0.00 0.00 179.45 177.99 1r82 h LEU 132 N -0.46 0.97 0.21 5.20 5.85 -1.85 -0.23 115.31 125.00 1r82 h LEU 132 Ca 0.04 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1r82 h LEU 132 Cb 0.49 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1r82 h LEU 132 CO -0.17 1.04 -0.14 0.15 -0.34 0.00 0.00 178.44 178.99 1r82 h PHE 133 N 0.89 -0.35 -0.45 1.25 3.57 -1.10 -1.33 116.94 119.42 1r82 h PHE 133 Ca 0.16 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1r82 h PHE 133 Cb 0.58 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1r82 h PHE 133 CO 0.04 -0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.67 1r82 h LEU 134 N -0.34 0.92 -0.55 0.59 3.38 -0.79 -1.05 115.31 117.47 1r82 h LEU 134 Ca -0.02 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1r82 h LEU 134 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1r82 h LEU 134 CO 0.01 1.10 0.34 -0.33 0.09 0.00 0.00 178.44 179.65 1r82 h GLU 135 N 0.74 0.74 -0.00 1.13 5.08 -0.97 -1.10 114.58 120.20 1r82 h GLU 135 Ca 0.11 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1r82 h GLU 135 Cb 0.73 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1r82 h GLU 135 CO 0.06 0.52 -0.72 1.79 -1.00 0.00 0.00 179.01 179.66 1r82 h THR 136 N 0.74 1.51 -0.57 1.13 1.35 -1.22 -2.89 112.91 112.97 1r82 h THR 136 Ca 0.20 -2.46 -0.06 0.00 -0.55 0.00 0.00 66.41 63.55 1r82 h THR 136 Cb -0.04 2.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1r82 h THR 136 CO -0.04 0.70 0.13 0.00 -0.25 0.00 0.00 175.52 176.06 1r82 h ALA 137 N 1.28 1.15 0.00 6.62 0.00 -0.77 -0.86 119.26 126.69 1r82 h ALA 137 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1r82 h ALA 137 Cb 1.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1r82 h ALA 137 CO 0.09 0.57 -0.11 0.93 0.00 0.00 0.00 179.25 180.73 1r82 h GLU 138 N 0.85 0.00 0.00 0.00 4.39 -1.00 0.19 114.58 119.01 1r82 h GLU 138 Ca 0.18 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1r82 h GLU 138 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1r82 h GLU 138 CO 0.00 0.11 -1.33 0.87 -1.16 0.00 0.00 179.01 177.50 1r82 h LYS 139 N 0.00 0.00 0.00 2.33 1.57 -1.21 -3.43 116.57 115.82 1r82 h LYS 139 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r82 h LYS 139 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1r82 h LYS 139 CO 0.01 0.37 -0.44 0.72 -0.57 0.00 0.00 179.45 179.54 1r82 n HIS 140 N -2.97 0.00 -3.31 -1.35 8.25 -0.41 -4.92 115.22 110.51 1r82 n HIS 140 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1r82 n HIS 140 Cb 0.86 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.89 1r82 n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1r82 s PHE 141 N -1.14 3.17 -1.37 4.41 5.36 0.63 -1.62 117.98 127.43 1r82 s PHE 141 Ca 0.00 -0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 55.72 1r82 s PHE 141 Cb 0.00 -2.88 0.08 0.00 -0.34 0.00 0.00 43.02 39.88 1r82 s PHE 141 CO 0.00 -0.61 0.58 -1.33 -1.46 0.00 0.00 175.22 172.39 1r82 n MET 142 N 5.63 -3.70 -1.71 10.12 2.81 -0.23 -4.83 117.12 125.21 1r82 n MET 142 Ca -0.07 0.51 -0.42 0.00 -1.81 0.00 0.00 57.70 55.91 1r82 n MET 142 Cb 0.48 -5.25 -0.03 0.00 -0.71 0.00 0.00 33.22 27.71 1r82 n MET 142 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r82 s VAL 143 N -3.02 2.23 0.00 2.03 1.01 -1.26 -1.38 120.40 120.02 1r82 s VAL 143 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1r82 s VAL 143 Cb -0.24 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1r82 s VAL 143 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1r82 n GLY 144 N 4.11 2.71 3.81 4.51 0.00 -1.26 -5.07 105.19 114.00 1r82 n GLY 144 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1r82 n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r82 s HIS 145 N -2.62 2.74 0.00 1.61 4.02 -0.48 -5.07 115.29 115.51 1r82 s HIS 145 Ca 0.00 -0.43 -0.30 0.00 1.02 0.00 0.00 55.06 55.35 1r82 s HIS 145 Cb 0.00 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.58 29.62 1r82 s HIS 145 CO 0.00 0.13 1.16 1.03 1.02 0.00 0.00 174.74 178.08 1r82 s ARG 146 N -3.98 4.42 -0.03 1.40 0.52 -1.21 -4.82 118.95 115.25 1r82 s ARG 146 Ca 0.42 1.67 0.03 0.00 -0.52 0.00 0.00 55.73 57.33 1r82 s ARG 146 Cb -0.03 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1r82 s ARG 146 CO 0.25 -0.30 -0.12 0.08 0.02 0.00 0.00 175.30 175.24 1r82 s VAL 147 N 1.51 1.00 -0.22 3.52 1.01 -1.09 -1.02 120.40 125.11 1r82 s VAL 147 Ca 0.56 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1r82 s VAL 147 Cb -0.26 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1r82 s VAL 147 CO 0.26 0.30 -0.07 -2.28 0.00 0.00 0.00 175.10 173.31 1r82 s HIS 148 N 0.21 2.45 0.12 5.22 2.46 -0.28 -1.08 115.29 124.39 1r82 s HIS 148 Ca -0.05 -1.73 -0.23 0.00 0.47 0.00 0.00 55.06 53.52 1r82 s HIS 148 Cb -0.10 -1.62 -0.07 0.00 -0.13 0.00 0.00 32.58 30.66 1r82 s HIS 148 CO 0.01 -0.77 0.71 0.71 -2.47 0.00 0.00 174.74 172.94 1r82 s TYR 149 N 1.38 3.85 -0.23 3.88 1.51 0.66 -1.28 117.35 127.12 1r82 s TYR 149 Ca -0.04 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 57.52 1r82 s TYR 149 Cb -0.18 -2.70 0.05 0.00 -0.11 0.00 0.00 41.96 39.03 1r82 s TYR 149 CO -0.07 0.49 -0.08 0.71 -1.11 0.00 0.00 175.55 175.50 1r82 s TYR 150 N -0.93 2.56 -0.36 2.71 1.51 0.11 -0.69 117.35 122.25 1r82 s TYR 150 Ca 0.34 -1.81 -0.08 0.00 -1.01 0.00 0.00 57.07 54.51 1r82 s TYR 150 Cb -0.22 -1.66 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1r82 s TYR 150 CO 0.23 -0.78 0.15 0.08 -1.11 0.00 0.00 175.55 174.12 1r82 s VAL 151 N 1.34 4.12 -0.26 0.71 1.01 -0.16 -1.68 120.40 125.48 1r82 s VAL 151 Ca -0.05 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1r82 s VAL 151 Cb -0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1r82 s VAL 151 CO -0.07 -0.22 0.51 -0.36 0.00 0.00 0.00 175.10 174.96 1r82 s PHE 152 N 1.46 3.26 0.10 5.22 0.40 -0.42 -0.55 117.98 127.45 1r82 s PHE 152 Ca -0.00 0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 56.83 1r82 s PHE 152 Cb -0.19 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.62 1r82 s PHE 152 CO 0.04 -0.29 0.23 -0.08 0.70 0.00 0.00 175.22 175.83 1r82 s THR 153 N 2.30 0.13 -2.65 0.64 -1.32 -0.56 -0.51 115.64 113.67 1r82 s THR 153 Ca 0.21 -1.06 0.24 0.00 -1.21 0.00 0.00 61.69 59.86 1r82 s THR 153 Cb -0.16 -1.30 0.36 0.00 -1.51 0.00 0.00 72.50 69.89 1r82 s THR 153 CO 0.09 -0.59 1.39 -0.90 -2.21 0.00 0.00 174.62 172.41 1r82 n ASP 154 N -0.09 2.97 -3.22 8.08 5.75 -1.25 -1.38 116.55 127.40 1r82 n ASP 154 Ca -0.15 -1.93 -0.24 0.00 -0.01 0.00 0.00 54.79 52.46 1r82 n ASP 154 Cb 0.63 -0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.52 1r82 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r82 n GLN 155 N 1.23 1.14 -0.30 0.11 6.02 -1.26 -4.95 117.38 119.38 1r82 n GLN 155 Ca 0.17 -3.55 0.11 0.00 -0.01 0.00 0.00 57.00 53.72 1r82 n GLN 155 Cb 0.56 -1.48 0.27 0.00 1.02 0.00 0.00 30.24 30.61 1r82 n GLN 155 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1r82 h PRO 156 N 3.89 0.40 0.00 -1.09 0.11 -1.96 0.12 132.00 133.48 1r82 h PRO 156 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1r82 h PRO 156 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1r82 h PRO 156 CO 0.54 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1r82 n ALA 157 N -2.51 1.65 1.10 -0.75 0.00 -1.26 -2.63 120.51 116.11 1r82 n ALA 157 Ca 0.20 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1r82 n ALA 157 Cb 0.59 -1.37 0.38 0.00 0.00 0.00 0.00 19.45 19.04 1r82 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r82 n ALA 158 N -1.75 3.17 -2.11 0.00 0.00 0.40 -4.87 120.51 115.36 1r82 n ALA 158 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1r82 n ALA 158 Cb 0.22 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1r82 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1r82 s VAL 159 N -2.84 3.40 0.56 0.00 1.01 -1.08 -4.96 120.40 116.50 1r82 s VAL 159 Ca 0.16 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.80 1r82 s VAL 159 Cb 0.18 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1r82 s VAL 159 CO 0.61 0.01 1.18 -2.16 0.00 0.00 0.00 175.10 174.74 1r82 s PRO 160 N 2.28 3.17 -0.82 2.72 0.04 -1.26 -4.95 135.00 136.18 1r82 s PRO 160 Ca 0.67 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 63.25 1r82 s PRO 160 Cb -0.35 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.29 1r82 s PRO 160 CO 0.29 -1.02 1.10 0.50 0.04 0.00 0.00 177.00 177.90 1r82 s ARG 161 N -3.27 3.39 -0.10 4.56 6.06 -1.26 -4.99 118.95 123.34 1r82 s ARG 161 Ca 0.75 -1.29 -0.12 0.00 -2.50 0.00 0.00 55.73 52.57 1r82 s ARG 161 Cb -0.28 -4.67 -0.05 0.00 0.06 0.00 0.00 34.95 30.02 1r82 s ARG 161 CO 0.31 -1.84 0.27 0.08 -2.50 0.00 0.00 175.30 171.62 1r82 s VAL 162 N 3.54 5.29 -0.08 7.11 1.01 -1.26 -5.05 120.40 130.95 1r82 s VAL 162 Ca 0.30 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 1r82 s VAL 162 Cb -0.09 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1r82 s VAL 162 CO -0.01 0.52 1.17 -0.89 0.00 0.00 0.00 175.10 175.89 1r82 s THR 163 N -0.47 4.36 0.04 3.92 2.01 -1.26 -5.03 115.64 119.21 1r82 s THR 163 Ca 0.18 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1r82 s THR 163 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1r82 s THR 163 CO 0.06 -0.02 0.06 -0.76 -0.69 0.00 0.00 174.62 173.28 1r82 s LEU 164 N 2.32 3.75 0.95 4.42 1.43 -1.26 -5.01 118.68 125.28 1r82 s LEU 164 Ca 0.54 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1r82 s LEU 164 Cb -0.23 -2.31 0.16 0.00 0.03 0.00 0.00 46.19 43.84 1r82 s LEU 164 CO 0.20 0.22 1.11 -0.83 0.23 0.00 0.00 176.35 177.28 1r82 s GLY 165 N -2.03 1.57 0.51 -3.19 0.00 -1.26 -4.96 107.32 97.97 1r82 s GLY 165 Ca 0.25 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 1r82 s GLY 165 CO 0.17 0.17 1.30 -1.08 0.00 0.00 0.00 173.10 173.66 1r82 s THR 166 N -3.09 2.41 -0.10 0.90 -1.32 -1.26 -2.89 115.64 110.28 1r82 s THR 166 Ca 0.64 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 61.43 1r82 s THR 166 Cb -0.17 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1r82 s THR 166 CO 0.56 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 1r82 n GLY 167 N 0.63 0.48 3.14 6.08 0.00 -1.26 -4.97 105.19 109.29 1r82 n GLY 167 Ca 0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1r82 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r82 s ARG 168 N -0.87 1.70 0.11 1.61 0.52 -1.14 -2.66 118.95 118.22 1r82 s ARG 168 Ca 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1r82 s ARG 168 Cb 0.00 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 1r82 s ARG 168 CO 0.00 0.27 -0.05 1.14 0.02 0.00 0.00 175.30 176.68 1r82 s GLN 169 N -0.05 0.86 -0.04 3.54 -2.07 -0.24 -4.79 119.66 116.87 1r82 s GLN 169 Ca -0.02 -1.35 0.02 0.00 -1.82 0.00 0.00 55.36 52.19 1r82 s GLN 169 Cb -0.11 -0.17 0.01 0.00 -1.09 0.00 0.00 33.01 31.65 1r82 s GLN 169 CO 0.02 -0.04 -0.09 -1.17 -1.32 0.00 0.00 175.29 172.68 1r82 s LEU 170 N -3.05 1.68 -0.10 2.60 0.20 -1.26 -0.25 118.68 118.50 1r82 s LEU 170 Ca 0.13 -0.20 0.04 0.00 0.69 0.00 0.00 54.13 54.79 1r82 s LEU 170 Cb 0.06 -0.59 -0.00 0.00 -0.43 0.00 0.00 46.19 45.22 1r82 s LEU 170 CO -0.04 0.04 -0.23 -0.44 -0.29 0.00 0.00 176.35 175.39 1r82 s SER 171 N 0.40 3.18 -0.26 3.68 0.01 0.13 -4.95 113.70 115.89 1r82 s SER 171 Ca -0.07 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 1r82 s SER 171 Cb -0.11 -1.37 -0.05 0.00 0.21 0.00 0.00 66.02 64.70 1r82 s SER 171 CO 0.01 0.17 0.16 -0.69 0.41 0.00 0.00 173.24 173.30 1r82 s VAL 172 N 0.29 5.19 -0.22 3.43 1.01 -1.26 -0.99 120.40 127.85 1r82 s VAL 172 Ca -0.17 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1r82 s VAL 172 Cb -0.17 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1r82 s VAL 172 CO 0.08 0.31 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 1r82 s LEU 173 N 1.41 2.76 0.19 3.92 2.01 0.28 -4.96 118.68 124.28 1r82 s LEU 173 Ca 0.07 -0.67 -0.30 0.00 0.01 0.00 0.00 54.13 53.24 1r82 s LEU 173 Cb -0.15 -1.62 -0.08 0.00 0.01 0.00 0.00 46.19 44.35 1r82 s LEU 173 CO 0.07 -0.05 0.99 -0.70 1.01 0.00 0.00 176.35 177.67 1r82 s GLU 174 N 1.35 4.74 -0.14 1.70 2.12 -1.26 -1.50 118.70 125.71 1r82 s GLU 174 Ca 0.03 1.55 0.01 0.00 0.36 0.00 0.00 54.97 56.92 1r82 s GLU 174 Cb -0.15 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1r82 s GLU 174 CO -0.07 0.31 -0.15 0.14 -0.54 0.00 0.00 175.26 174.95 1r82 s VAL 175 N -0.62 1.58 0.29 3.70 -7.23 -0.48 -4.88 120.40 112.77 1r82 s VAL 175 Ca 0.45 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 60.03 1r82 s VAL 175 Cb -0.26 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 1r82 s VAL 175 CO 0.33 0.46 0.28 0.00 -0.31 0.00 0.00 175.10 175.86 1r82 n GLU 197 N -1.33 0.21 0.23 0.00 4.71 -1.26 -2.39 120.64 120.81 1r82 n GLU 197 Ca -0.05 0.35 0.09 0.00 -0.01 0.00 0.00 57.16 57.55 1r82 n GLU 197 Cb 0.59 -1.84 0.54 0.00 -1.01 0.00 0.00 31.44 29.71 1r82 n GLU 197 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r82 h ARG 198 N 0.00 0.00 -0.37 3.49 -0.00 -2.04 -2.74 114.38 112.73 1r82 h ARG 198 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1r82 h ARG 198 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.42 1r82 h ARG 198 CO 0.00 0.23 0.22 -0.09 0.00 0.00 0.00 179.97 180.32 1r82 h ARG 199 N 0.00 0.50 -0.75 0.04 2.43 -1.91 -2.79 114.38 111.90 1r82 h ARG 199 Ca -0.00 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1r82 h ARG 199 Cb 0.57 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 1r82 h ARG 199 CO 0.03 0.38 0.43 0.74 -1.51 0.00 0.00 179.97 180.04 1r82 h PHE 200 N 0.48 0.80 -0.06 2.20 0.05 -1.66 -1.12 116.94 117.63 1r82 h PHE 200 Ca 0.13 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.96 1r82 h PHE 200 Cb 0.01 -0.25 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 1r82 h PHE 200 CO -0.04 0.38 0.04 -0.07 -0.18 0.00 0.00 178.31 178.45 1r82 h LEU 201 N 0.79 0.00 0.00 1.54 3.38 -1.53 -1.83 115.31 117.66 1r82 h LEU 201 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1r82 h LEU 201 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1r82 h LEU 201 CO -0.19 0.00 -1.19 -1.54 0.09 0.00 0.00 178.44 175.61 1r82 n SER 202 N -4.41 0.63 -0.04 -0.43 3.41 -0.63 -4.58 113.62 107.57 1r82 n SER 202 Ca -0.02 -0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 58.11 1r82 n SER 202 Cb 0.15 1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 65.09 1r82 n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r82 n GLU 203 N -1.82 1.33 -4.17 4.33 1.02 -0.52 -5.05 120.64 115.76 1r82 n GLU 203 Ca 0.02 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.00 1r82 n GLU 203 Cb 0.42 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 1r82 n GLU 203 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1r82 s VAL 204 N -2.56 0.48 -0.17 2.62 -7.23 -0.73 -4.94 120.40 107.88 1r82 s VAL 204 Ca -0.06 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1r82 s VAL 204 Cb 0.06 -1.83 -0.23 0.00 0.56 0.00 0.00 36.38 34.95 1r82 s VAL 204 CO 0.53 -0.72 0.15 0.47 -0.31 0.00 0.00 175.10 175.21 1r82 n ASP 205 N -0.07 1.05 -4.18 4.85 8.00 0.18 -4.66 116.55 121.72 1r82 n ASP 205 Ca -0.10 0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 1r82 n ASP 205 Cb 0.62 0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.71 1r82 n ASP 205 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r82 s TYR 206 N -2.53 1.21 -0.09 1.24 1.51 -1.09 -3.16 117.35 114.44 1r82 s TYR 206 Ca -0.18 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1r82 s TYR 206 Cb 0.07 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1r82 s TYR 206 CO 0.76 0.06 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.51 1r82 s LEU 207 N -1.92 2.05 -0.17 -1.29 1.43 0.48 -0.27 118.68 118.98 1r82 s LEU 207 Ca 0.00 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1r82 s LEU 207 Cb -0.08 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1r82 s LEU 207 CO 0.02 0.16 -0.20 -0.69 0.23 0.00 0.00 176.35 175.87 1r82 s VAL 208 N 0.28 2.06 -0.26 -1.59 1.01 0.54 -1.31 120.40 121.13 1r82 s VAL 208 Ca -0.16 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1r82 s VAL 208 Cb -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1r82 s VAL 208 CO 0.08 0.54 0.01 0.00 0.00 0.00 0.00 175.10 175.73 1r82 s VAL 210 N 1.48 0.54 0.38 0.00 -7.23 -1.03 -1.98 120.40 112.56 1r82 s VAL 210 Ca 0.04 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1r82 s VAL 210 Cb -0.16 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 1r82 s VAL 210 CO -0.01 -0.23 0.84 -1.81 -0.31 0.00 0.00 175.10 173.59 1r82 s ASP 211 N -3.23 6.85 0.13 4.85 1.01 -1.01 -4.48 116.67 120.79 1r82 s ASP 211 Ca 0.31 1.48 0.13 0.00 0.71 0.00 0.00 52.55 55.18 1r82 s ASP 211 Cb 0.07 -2.45 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 1r82 s ASP 211 CO 0.09 -0.28 1.10 1.62 0.21 0.00 0.00 175.17 177.90 1r82 h VAL 212 N 1.92 0.92 0.00 -1.27 3.04 -1.95 -3.38 116.25 115.54 1r82 h VAL 212 Ca -0.48 -2.47 -0.63 0.00 -1.01 0.00 0.00 66.70 62.11 1r82 h VAL 212 Cb 1.18 2.39 0.02 0.00 -2.01 0.00 0.00 31.29 32.87 1r82 h VAL 212 CO 0.63 0.53 3.59 -0.90 -1.01 0.00 0.00 177.57 180.41 1r82 n ASP 213 N -3.12 8.32 -3.84 3.17 3.85 -1.26 -4.70 116.55 118.97 1r82 n ASP 213 Ca -0.05 -2.54 -0.12 0.00 -0.71 0.00 0.00 54.79 51.36 1r82 n ASP 213 Cb 0.86 -1.51 -0.07 0.00 -1.35 0.00 0.00 41.12 39.04 1r82 n ASP 213 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1r82 s MET 214 N 2.23 1.52 -0.07 0.11 -1.94 -1.26 -2.81 119.30 117.08 1r82 s MET 214 Ca 0.67 -1.58 -0.13 0.00 -1.71 0.00 0.00 55.69 52.94 1r82 s MET 214 Cb 0.18 0.38 0.03 0.00 2.01 0.00 0.00 34.83 37.42 1r82 s MET 214 CO -0.06 -0.58 0.32 -1.83 -0.01 0.00 0.00 175.02 172.86 1r82 s GLU 215 N -3.80 0.53 0.02 2.03 -1.05 -0.34 -4.12 118.70 111.97 1r82 s GLU 215 Ca 0.32 0.11 -0.23 0.00 -0.15 0.00 0.00 54.97 55.03 1r82 s GLU 215 Cb 0.03 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1r82 s GLU 215 CO 0.15 -0.12 0.68 -0.06 0.95 0.00 0.00 175.26 176.86 1r82 s PHE 216 N -0.62 3.71 -0.04 4.83 0.40 -1.26 -1.37 117.98 123.63 1r82 s PHE 216 Ca -0.07 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.60 1r82 s PHE 216 Cb -0.04 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 1r82 s PHE 216 CO 0.02 0.31 0.04 0.54 0.70 0.00 0.00 175.22 176.84 1r82 n ARG 217 N 2.77 4.88 -3.86 0.44 1.74 0.69 -4.83 116.66 118.48 1r82 n ARG 217 Ca -0.05 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 1r82 n ARG 217 Cb 0.51 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 1r82 n ARG 217 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1r82 s ASP 218 N -1.38 0.02 -0.03 0.55 -1.08 -1.06 -4.90 116.67 108.79 1r82 s ASP 218 Ca 0.00 -1.03 -0.38 0.00 -0.52 0.00 0.00 52.55 50.63 1r82 s ASP 218 Cb 0.01 0.79 -0.16 0.00 -1.46 0.00 0.00 42.92 42.10 1r82 s ASP 218 CO 0.05 -1.54 1.50 1.57 0.52 0.00 0.00 175.17 177.27 1r82 n HIS 219 N -0.51 1.76 -3.67 -5.34 -0.00 -1.26 -4.76 115.22 101.45 1r82 n HIS 219 Ca -0.06 0.56 -0.29 0.00 -0.00 0.00 0.00 57.72 57.93 1r82 n HIS 219 Cb 0.60 -2.40 -0.15 0.00 -0.00 0.00 0.00 29.99 28.04 1r82 n HIS 219 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1r82 s VAL 220 N 1.62 0.45 0.00 3.57 1.01 -0.64 -4.86 120.40 121.54 1r82 s VAL 220 Ca 0.89 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1r82 s VAL 220 Cb -0.97 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1r82 s VAL 220 CO 0.52 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1r82 n GLY 221 N 5.04 6.38 0.06 4.51 0.00 -1.26 -1.06 105.19 118.85 1r82 n GLY 221 Ca -0.05 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.30 1r82 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r82 n VAL 222 N 0.00 1.52 0.32 1.61 0.24 -1.26 -2.00 118.33 118.76 1r82 n VAL 222 Ca 0.00 0.53 0.21 0.00 -2.04 0.00 0.00 64.34 63.04 1r82 n VAL 222 Cb 0.00 -1.50 1.12 0.00 -1.47 0.00 0.00 33.84 31.99 1r82 n VAL 222 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1r82 h GLU 223 N 0.00 0.00 0.00 7.34 9.09 -1.95 -1.60 114.58 127.46 1r82 h GLU 223 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r82 h GLU 223 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1r82 h GLU 223 CO 0.00 0.00 -0.72 -0.84 0.05 0.00 0.00 179.01 177.50 1r82 h ILE 224 N 0.00 0.00 -3.28 -1.06 3.07 -1.82 -3.47 117.51 110.94 1r82 h ILE 224 Ca 0.00 -0.75 -0.53 0.00 1.55 0.00 0.00 64.86 65.14 1r82 h ILE 224 Cb 0.04 1.34 0.03 0.00 -0.27 0.00 0.00 36.82 37.96 1r82 h ILE 224 CO 0.00 0.00 0.68 -0.76 -1.05 0.00 0.00 178.15 177.02 1r82 s LEU 225 N -4.89 4.40 -0.00 0.16 1.43 -0.60 -4.88 118.68 114.30 1r82 s LEU 225 Ca 0.04 2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 1r82 s LEU 225 Cb 0.11 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.84 1r82 s LEU 225 CO 0.74 -0.57 1.25 0.28 0.23 0.00 0.00 176.35 178.29 1r82 s THR 226 N 0.37 0.00 0.28 5.49 -1.32 -1.26 -5.05 115.64 114.15 1r82 s THR 226 Ca 0.59 -0.26 -0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1r82 s THR 226 Cb -0.37 -1.98 0.28 0.00 -1.51 0.00 0.00 72.50 68.92 1r82 s THR 226 CO 0.36 0.00 1.86 -0.65 -2.21 0.00 0.00 174.62 173.99 1r82 h PRO 227 N 2.00 1.05 -2.41 7.08 0.11 -1.93 -3.17 132.00 134.72 1r82 h PRO 227 Ca -0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1r82 h PRO 227 Cb 1.21 -0.24 -0.25 0.00 0.11 0.00 0.00 31.00 31.82 1r82 h PRO 227 CO 0.28 0.69 -0.27 -1.17 -0.21 0.00 0.00 178.00 177.32 1r82 s LEU 228 N -10.17 -0.62 0.06 2.35 2.96 -1.26 -0.79 118.68 111.21 1r82 s LEU 228 Ca -0.12 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1r82 s LEU 228 Cb 0.21 1.61 -0.03 0.00 0.50 0.00 0.00 46.19 48.48 1r82 s LEU 228 CO 0.81 -0.22 -0.10 0.72 -1.32 0.00 0.00 176.35 176.24 1r82 s PHE 229 N 2.27 0.91 0.26 5.38 -0.12 -0.16 0.46 117.98 126.97 1r82 s PHE 229 Ca -0.05 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.33 1r82 s PHE 229 Cb -0.10 -0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 41.71 1r82 s PHE 229 CO -0.14 -0.03 -0.03 0.20 -0.05 0.00 0.00 175.22 175.17 1r82 s GLY 230 N -1.89 1.70 -0.04 1.99 0.00 -1.19 -2.40 107.32 105.49 1r82 s GLY 230 Ca -0.03 -1.84 0.06 0.00 0.00 0.00 0.00 44.72 42.91 1r82 s GLY 230 CO 0.00 -1.75 -0.23 -1.59 0.00 0.00 0.00 173.10 169.53 1r82 s THR 231 N -3.23 1.86 0.05 0.90 2.01 -1.22 -0.72 115.64 115.29 1r82 s THR 231 Ca 0.29 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 1r82 s THR 231 Cb 0.05 -1.56 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 1r82 s THR 231 CO 0.10 0.52 1.51 -0.76 -0.69 0.00 0.00 174.62 175.30 1r82 s LEU 232 N -0.26 4.34 0.17 4.42 1.43 -0.37 -1.35 118.68 127.06 1r82 s LEU 232 Ca 0.01 2.31 -0.32 0.00 -1.03 0.00 0.00 54.13 55.10 1r82 s LEU 232 Cb -0.12 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1r82 s LEU 232 CO 0.02 -0.78 1.61 -2.28 0.23 0.00 0.00 176.35 175.14 1r82 s HIS 233 N 2.28 2.98 0.65 0.29 5.65 -0.47 -4.34 115.29 122.33 1r82 s HIS 233 Ca 0.68 0.54 0.43 0.00 0.25 0.00 0.00 55.06 56.96 1r82 s HIS 233 Cb -0.36 -3.98 2.35 0.00 -1.18 0.00 0.00 32.58 29.41 1r82 s HIS 233 CO 0.29 -3.65 2.36 -1.00 -0.65 0.00 0.00 174.74 172.09 1r82 h PRO 234 N 6.91 0.00 0.00 2.88 0.13 -1.91 -2.43 132.00 137.58 1r82 h PRO 234 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r82 h PRO 234 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r82 h PRO 234 CO 0.92 0.00 -0.51 0.77 -0.23 0.00 0.00 178.00 178.96 1r82 h SER 235 N 0.00 0.00 0.00 1.44 0.02 -1.93 -3.39 113.55 109.69 1r82 h SER 235 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1r82 h SER 235 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r82 h SER 235 CO 0.00 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 176.24 1r82 n PHE 236 N -2.33 0.00 0.31 3.45 3.01 -0.93 -4.78 117.46 116.20 1r82 n PHE 236 Ca 0.03 -0.31 0.19 0.00 1.01 0.00 0.00 57.45 58.38 1r82 n PHE 236 Cb 0.46 -0.03 1.02 0.00 -0.01 0.00 0.00 39.48 40.93 1r82 n PHE 236 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1r82 h TYR 237 N 0.00 0.00 -0.22 1.38 -0.00 -1.72 -1.71 116.97 114.71 1r82 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1r82 h TYR 237 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 1r82 h TYR 237 CO 0.00 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 1r82 n GLY 238 N -0.90 3.53 3.94 0.10 0.00 -1.26 -5.03 105.19 105.57 1r82 n GLY 238 Ca -0.02 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1r82 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r82 s SER 239 N -1.58 6.34 0.41 1.61 0.01 -0.64 -5.09 113.70 114.75 1r82 s SER 239 Ca 0.28 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.72 1r82 s SER 239 Cb 0.20 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.33 1r82 s SER 239 CO 0.09 -0.17 0.91 -0.94 0.41 0.00 0.00 173.24 173.55 1r82 s SER 240 N -3.71 6.90 0.52 2.44 1.04 -1.26 -4.94 113.70 114.68 1r82 s SER 240 Ca 0.39 1.61 0.27 0.00 0.48 0.00 0.00 55.95 58.69 1r82 s SER 240 Cb -0.10 -2.51 1.39 0.00 0.10 0.00 0.00 66.02 64.90 1r82 s SER 240 CO 0.32 -0.34 1.93 0.08 0.98 0.00 0.00 173.24 176.21 1r82 h ARG 241 N 1.93 0.06 0.00 4.02 0.11 -1.92 0.81 114.38 119.39 1r82 h ARG 241 Ca -0.49 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 1r82 h ARG 241 Cb 1.18 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 1r82 h ARG 241 CO 0.62 0.04 -0.08 0.93 0.10 0.00 0.00 179.97 181.58 1r82 h GLU 242 N 0.06 0.00 0.00 0.08 3.07 -1.92 -1.80 114.58 114.07 1r82 h GLU 242 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1r82 h GLU 242 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1r82 h GLU 242 CO -0.03 0.08 -0.57 0.00 -1.40 0.00 0.00 179.01 177.09 1r82 h ALA 243 N 1.92 0.67 -2.42 3.43 0.00 -1.20 -3.47 119.26 118.20 1r82 h ALA 243 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1r82 h ALA 243 Cb 0.21 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.08 1r82 h ALA 243 CO 0.01 0.00 0.62 1.19 0.00 0.00 0.00 179.25 181.07 1r82 n PHE 244 N -2.50 2.26 -1.10 0.00 0.99 -0.68 -4.85 117.46 111.59 1r82 n PHE 244 Ca 0.03 0.44 -0.16 0.00 -0.00 0.00 0.00 57.45 57.75 1r82 n PHE 244 Cb 0.49 -2.47 -0.09 0.00 -1.00 0.00 0.00 39.48 36.42 1r82 n PHE 244 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1r82 n THR 245 N 1.62 2.97 -0.98 4.37 -2.24 -1.26 -4.93 114.28 113.83 1r82 n THR 245 Ca 0.10 -1.92 -0.29 0.00 -2.27 0.00 0.00 64.05 59.67 1r82 n THR 245 Cb 0.33 -1.73 0.19 0.00 -2.10 0.00 0.00 70.33 67.01 1r82 n THR 245 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r82 s TYR 246 N -0.35 1.93 -0.08 4.78 4.12 -1.26 -4.78 117.35 121.70 1r82 s TYR 246 Ca 0.53 1.16 -0.30 0.00 0.02 0.00 0.00 57.07 58.48 1r82 s TYR 246 Cb 0.30 -3.19 -0.03 0.00 -1.52 0.00 0.00 41.96 37.52 1r82 s TYR 246 CO -0.08 -3.02 1.17 -2.00 0.02 0.00 0.00 175.55 171.64 1r82 s GLU 247 N -4.80 4.35 0.00 -0.62 2.56 -1.26 -4.91 118.70 114.01 1r82 s GLU 247 Ca 0.66 1.62 0.20 0.00 0.00 0.00 0.00 54.97 57.45 1r82 s GLU 247 Cb -0.20 -3.58 0.19 0.00 2.00 0.00 0.00 34.13 32.53 1r82 s GLU 247 CO 0.59 -0.46 1.16 0.54 -0.56 0.00 0.00 175.26 176.54 1r82 n ARG 248 N 5.36 1.88 -3.18 4.30 5.12 -1.26 -1.66 116.66 127.22 1r82 n ARG 248 Ca 0.11 -1.76 -0.40 0.00 -1.93 0.00 0.00 57.85 53.86 1r82 n ARG 248 Cb 0.46 -1.40 -0.07 0.00 -1.16 0.00 0.00 32.46 30.30 1r82 n ARG 248 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1r82 s ARG 249 N -1.65 4.01 0.64 5.56 0.52 -1.26 -4.87 118.95 121.90 1r82 s ARG 249 Ca 0.25 0.33 0.32 0.00 -0.52 0.00 0.00 55.73 56.11 1r82 s ARG 249 Cb 0.17 -3.68 1.74 0.00 0.52 0.00 0.00 34.95 33.70 1r82 s ARG 249 CO 0.26 -0.43 2.03 -1.35 0.02 0.00 0.00 175.30 175.82 1r82 h PRO 250 N 8.06 0.00 0.00 3.54 0.11 -1.97 -0.62 132.00 141.13 1r82 h PRO 250 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1r82 h PRO 250 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1r82 h PRO 250 CO 0.75 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.58 1r82 n GLN 251 N -3.23 0.06 -3.98 1.05 3.00 -1.26 -4.75 117.38 108.26 1r82 n GLN 251 Ca 0.00 0.24 -0.35 0.00 -0.01 0.00 0.00 57.00 56.88 1r82 n GLN 251 Cb 0.36 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 28.94 1r82 n GLN 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1r82 s SER 252 N -3.38 6.12 0.55 1.08 0.15 -0.24 -4.97 113.70 113.02 1r82 s SER 252 Ca 0.08 0.33 0.36 0.00 0.70 0.00 0.00 55.95 57.42 1r82 s SER 252 Cb 0.11 -1.90 1.69 0.00 -1.71 0.00 0.00 66.02 64.22 1r82 s SER 252 CO 0.37 0.33 2.08 1.56 1.20 0.00 0.00 173.24 178.77 1r82 h GLN 253 N 4.42 0.00 -0.23 5.44 1.08 -1.86 -1.67 115.11 122.29 1r82 h GLN 253 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1r82 h GLN 253 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1r82 h GLN 253 CO 0.62 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 1r82 n ALA 254 N -2.04 2.49 -1.68 3.87 0.00 -1.26 -4.96 120.51 116.93 1r82 n ALA 254 Ca -0.01 -0.58 -0.45 0.00 0.00 0.00 0.00 53.44 52.40 1r82 n ALA 254 Cb 0.21 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1r82 n ALA 254 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1r82 n TYR 255 N 0.45 2.28 -3.65 0.00 9.36 -0.63 -4.22 117.16 120.75 1r82 n TYR 255 Ca 0.15 0.34 -0.21 0.00 3.32 0.00 0.00 57.90 61.50 1r82 n TYR 255 Cb 0.34 -2.51 -0.17 0.00 -0.63 0.00 0.00 39.34 36.36 1r82 n TYR 255 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r82 s ILE 256 N 0.38 -0.12 0.88 2.97 1.01 -0.67 -5.00 121.20 120.65 1r82 s ILE 256 Ca 0.72 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 1r82 s ILE 256 Cb -0.65 -0.29 0.12 0.00 0.01 0.00 0.00 42.46 41.65 1r82 s ILE 256 CO 0.44 0.04 1.10 -2.16 0.00 0.00 0.00 174.94 174.36 1r82 s PRO 257 N 2.18 1.35 0.61 2.79 0.04 -1.26 -4.63 135.00 136.07 1r82 s PRO 257 Ca 0.04 1.17 0.32 0.00 0.04 0.00 0.00 61.00 62.57 1r82 s PRO 257 Cb -0.13 -1.79 1.88 0.00 0.04 0.00 0.00 34.50 34.50 1r82 s PRO 257 CO -0.05 -2.28 2.23 0.87 0.04 0.00 0.00 177.00 177.81 1r82 h LYS 258 N -1.59 0.00 -0.61 4.56 1.79 -1.96 -1.83 116.57 116.91 1r82 h LYS 258 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1r82 h LYS 258 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1r82 h LYS 258 CO 0.49 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.46 1r82 n ASP 259 N -3.69 3.63 -4.39 0.86 5.75 -1.26 -4.38 116.55 113.07 1r82 n ASP 259 Ca -0.02 -2.21 -0.21 0.00 -0.01 0.00 0.00 54.79 52.34 1r82 n ASP 259 Cb 0.14 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 39.66 1r82 n ASP 259 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1r82 s GLU 260 N -1.55 1.44 0.00 0.11 2.02 -0.69 -5.11 118.70 114.93 1r82 s GLU 260 Ca 0.41 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1r82 s GLU 260 Cb 0.24 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 33.11 1r82 s GLU 260 CO 0.23 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1r82 n GLY 261 N -0.40 3.58 0.10 -1.39 0.00 -1.26 -4.80 105.19 101.02 1r82 n GLY 261 Ca -0.07 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1r82 n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r82 n ASP 262 N 0.00 1.92 -4.10 1.61 8.00 -1.26 -4.94 116.55 117.78 1r82 n ASP 262 Ca 0.00 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.78 1r82 n ASP 262 Cb 0.00 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 1r82 n ASP 262 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1r82 s PHE 263 N -2.65 0.78 -0.35 1.24 0.40 -1.26 -4.97 117.98 111.18 1r82 s PHE 263 Ca -0.30 -1.09 -0.08 0.00 -0.60 0.00 0.00 56.93 54.86 1r82 s PHE 263 Cb 0.07 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.34 1r82 s PHE 263 CO 0.43 -0.71 0.14 -0.47 0.70 0.00 0.00 175.22 175.31 1r82 s TYR 264 N -4.07 3.23 0.12 0.36 5.04 -1.26 -5.04 117.35 115.73 1r82 s TYR 264 Ca 0.28 -1.15 -0.15 0.00 -2.44 0.00 0.00 57.07 53.62 1r82 s TYR 264 Cb 0.05 -2.34 -0.07 0.00 0.35 0.00 0.00 41.96 39.95 1r82 s TYR 264 CO 0.07 -0.66 0.53 0.71 -1.34 0.00 0.00 175.55 174.85 1r82 s TYR 265 N 1.48 3.65 -0.09 4.97 1.51 -1.26 -1.37 117.35 126.24 1r82 s TYR 265 Ca 0.01 1.07 -0.14 0.00 -1.01 0.00 0.00 57.07 56.99 1r82 s TYR 265 Cb -0.19 -2.37 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 1r82 s TYR 265 CO 0.04 0.48 0.34 1.41 -1.11 0.00 0.00 175.55 176.71 1r82 s MET 266 N -1.75 4.03 0.00 -0.62 1.75 -0.45 -4.74 119.30 117.52 1r82 s MET 266 Ca 0.35 0.23 0.17 0.00 -1.25 0.00 0.00 55.69 55.19 1r82 s MET 266 Cb -0.16 -3.32 0.94 0.00 2.84 0.00 0.00 34.83 35.13 1r82 s MET 266 CO 0.19 0.47 1.46 0.41 -0.65 0.00 0.00 175.02 176.90 1r82 n GLY 267 N 2.59 -0.68 0.00 2.11 0.00 -1.26 -3.37 105.19 104.58 1r82 n GLY 267 Ca -0.13 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1r82 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r82 n ALA 268 N -1.14 2.48 -3.15 4.61 0.00 -1.26 -4.66 120.51 117.39 1r82 n ALA 268 Ca 0.10 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1r82 n ALA 268 Cb 0.09 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1r82 n ALA 268 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r82 s PHE 269 N -2.47 -1.62 0.23 0.00 5.99 -1.22 -2.40 117.98 116.49 1r82 s PHE 269 Ca 0.31 1.24 -0.12 0.00 0.00 0.00 0.00 56.93 58.36 1r82 s PHE 269 Cb 0.20 0.39 -0.01 0.00 0.00 0.00 0.00 43.02 43.60 1r82 s PHE 269 CO 0.43 -0.92 0.44 -0.59 -0.00 0.00 0.00 175.22 174.58 1r82 s PHE 270 N 2.85 0.40 -1.65 10.12 -0.12 -0.84 -3.44 117.98 125.31 1r82 s PHE 270 Ca 0.15 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.28 1r82 s PHE 270 Cb -0.11 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 1r82 s PHE 270 CO -0.23 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.40 1r82 n GLY 271 N -0.36 -0.72 0.00 1.99 0.00 -1.01 -0.47 105.19 104.62 1r82 n GLY 271 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1r82 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r82 n GLY 272 N 0.00 0.26 3.75 -0.02 0.00 -0.43 -0.98 105.19 107.77 1r82 n GLY 272 Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1r82 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r82 s SER 273 N -4.00 4.36 0.21 1.61 1.04 0.03 -0.39 113.70 116.56 1r82 s SER 273 Ca 0.00 1.94 -0.10 0.00 0.48 0.00 0.00 55.95 58.28 1r82 s SER 273 Cb 0.00 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.79 1r82 s SER 273 CO 0.00 -2.13 1.82 0.58 0.98 0.00 0.00 173.24 174.49 1r82 h VAL 274 N -0.96 1.02 -0.40 5.02 2.07 -1.86 -1.03 116.25 120.10 1r82 h VAL 274 Ca -0.44 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1r82 h VAL 274 Cb 1.24 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1r82 h VAL 274 CO 0.50 0.13 0.17 -0.61 0.02 0.00 0.00 177.57 177.79 1r82 h GLN 275 N 0.73 0.35 -0.28 1.57 4.15 -1.91 -0.62 115.11 119.10 1r82 h GLN 275 Ca 0.28 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.54 1r82 h GLN 275 Cb 0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1r82 h GLN 275 CO -0.15 0.23 -0.41 0.93 -1.93 0.00 0.00 178.83 177.50 1r82 h GLU 276 N 0.36 0.67 -0.53 1.69 4.39 -1.71 -1.65 114.58 117.80 1r82 h GLU 276 Ca 0.17 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 1r82 h GLU 276 Cb 0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1r82 h GLU 276 CO -0.15 0.96 -0.03 0.28 -1.16 0.00 0.00 179.01 178.92 1r82 h VAL 277 N 0.55 1.27 -0.18 3.13 2.07 -0.97 -1.29 116.25 120.82 1r82 h VAL 277 Ca 0.04 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 1r82 h VAL 277 Cb 0.94 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1r82 h VAL 277 CO 0.08 0.40 -0.33 1.56 0.02 0.00 0.00 177.57 179.30 1r82 h GLN 278 N 0.82 0.38 -0.51 1.57 4.20 -1.02 -0.38 115.11 120.17 1r82 h GLN 278 Ca 0.15 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1r82 h GLN 278 Cb 0.57 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1r82 h GLN 278 CO 0.03 0.67 0.12 0.00 -0.67 0.00 0.00 178.83 178.98 1r82 h ARG 279 N 0.33 0.82 0.05 1.46 3.08 -1.04 -0.70 114.38 118.38 1r82 h ARG 279 Ca 0.04 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1r82 h ARG 279 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1r82 h ARG 279 CO 0.06 0.79 -0.02 1.25 -1.07 0.00 0.00 179.97 180.97 1r82 h LEU 280 N 0.71 -0.06 -1.12 3.04 6.46 -0.86 -1.31 115.31 122.17 1r82 h LEU 280 Ca 0.16 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1r82 h LEU 280 Cb 0.35 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1r82 h LEU 280 CO 0.00 0.13 0.19 0.71 -0.62 0.00 0.00 178.44 178.86 1r82 h THR 281 N -0.25 1.21 -0.48 1.05 1.35 -1.00 0.43 112.91 115.22 1r82 h THR 281 Ca -0.01 -0.70 -0.12 0.00 -0.55 0.00 0.00 66.41 65.03 1r82 h THR 281 Cb 0.22 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 1r82 h THR 281 CO 0.01 0.27 -0.19 -0.09 -0.25 0.00 0.00 175.52 175.27 1r82 h ARG 282 N 0.80 0.95 -0.38 4.72 2.43 -1.04 -0.14 114.38 121.72 1r82 h ARG 282 Ca 0.19 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1r82 h ARG 282 Cb 0.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1r82 h ARG 282 CO -0.01 1.05 -0.02 0.00 -1.51 0.00 0.00 179.97 179.48 1r82 h ALA 283 N 0.95 0.51 -0.32 2.80 0.00 -0.69 -1.96 119.26 120.55 1r82 h ALA 283 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1r82 h ALA 283 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1r82 h ALA 283 CO 0.06 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.77 1r82 h HIS 285 N 0.38 0.43 -0.66 0.00 6.17 -0.93 -0.80 115.15 119.74 1r82 h HIS 285 Ca 0.11 0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.13 1r82 h HIS 285 Cb 0.12 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 29.89 1r82 h HIS 285 CO -0.02 0.25 0.11 1.96 0.71 0.00 0.00 177.93 180.94 1r82 h GLN 286 N 0.47 1.08 -0.65 5.26 4.20 -1.23 -2.02 115.11 122.21 1r82 h GLN 286 Ca 0.17 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1r82 h GLN 286 Cb 0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1r82 h GLN 286 CO -0.09 0.99 0.08 0.00 -0.67 0.00 0.00 178.83 179.14 1r82 h ALA 287 N 1.10 0.91 -0.23 3.87 0.00 -0.91 -2.06 119.26 121.94 1r82 h ALA 287 Ca 0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1r82 h ALA 287 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1r82 h ALA 287 CO 0.01 0.66 -0.30 0.52 0.00 0.00 0.00 179.25 180.15 1r82 h MET 288 N 1.01 0.45 -0.57 0.00 2.86 -0.95 -1.93 114.93 115.80 1r82 h MET 288 Ca 0.20 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1r82 h MET 288 Cb 0.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1r82 h MET 288 CO 0.02 0.71 -0.05 0.52 1.06 0.00 0.00 176.91 179.16 1r82 h MET 289 N 0.39 1.04 -0.67 1.72 2.07 -1.07 -0.69 114.93 117.72 1r82 h MET 289 Ca 0.05 -0.36 -0.03 0.00 -2.07 0.00 0.00 59.70 57.29 1r82 h MET 289 Cb 0.72 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.34 1r82 h MET 289 CO 0.06 1.05 0.29 0.28 1.07 0.00 0.00 176.91 179.66 1r82 h VAL 290 N 0.93 1.23 -0.73 -2.22 2.07 -1.13 -1.05 116.25 115.35 1r82 h VAL 290 Ca 0.15 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1r82 h VAL 290 Cb 0.61 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1r82 h VAL 290 CO 0.04 0.28 0.22 0.44 0.02 0.00 0.00 177.57 178.57 1r82 h ASP 291 N 0.93 1.07 -0.75 0.57 5.19 -1.10 -2.27 116.42 120.07 1r82 h ASP 291 Ca 0.23 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1r82 h ASP 291 Cb 0.16 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 1r82 h ASP 291 CO -0.02 1.00 0.41 -0.61 -3.12 0.00 0.00 179.24 176.89 1r82 h GLN 292 N 1.08 1.05 -0.03 3.56 4.15 -0.65 -0.32 115.11 123.95 1r82 h GLN 292 Ca 0.23 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1r82 h GLN 292 Cb 0.32 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1r82 h GLN 292 CO -0.01 0.78 -0.18 0.00 -1.93 0.00 0.00 178.83 177.49 1r82 h ALA 293 N 1.21 1.65 -0.51 3.38 0.00 -0.87 -1.60 119.26 122.52 1r82 h ALA 293 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r82 h ALA 293 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r82 h ALA 293 CO -0.04 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1r82 n ASN 294 N -4.30 3.28 -3.58 0.00 3.02 -0.77 -4.94 115.26 107.97 1r82 n ASN 294 Ca -0.02 -2.17 -0.23 0.00 -0.03 0.00 0.00 54.58 52.13 1r82 n ASN 294 Cb 0.26 -0.43 0.08 0.00 -0.61 0.00 0.00 39.78 39.07 1r82 n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r82 n GLY 295 N 1.12 -0.50 2.95 7.41 0.00 -0.60 -5.02 105.19 110.56 1r82 n GLY 295 Ca 0.19 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1r82 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r82 s ILE 296 N -3.34 0.25 -0.13 -0.61 2.07 -0.20 -5.02 121.20 114.21 1r82 s ILE 296 Ca 0.44 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1r82 s ILE 296 Cb -0.20 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.15 1r82 s ILE 296 CO 0.74 -0.10 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.82 1r82 s GLU 297 N -0.52 2.30 0.39 3.50 2.56 -1.26 -3.79 118.70 121.87 1r82 s GLU 297 Ca -0.03 -0.57 -0.26 0.00 0.00 0.00 0.00 54.97 54.10 1r82 s GLU 297 Cb -0.04 -2.03 -0.11 0.00 2.00 0.00 0.00 34.13 33.95 1r82 s GLU 297 CO -0.00 -0.15 1.17 0.00 -0.56 0.00 0.00 175.26 175.72 1r82 n ALA 298 N 4.48 0.82 -0.32 6.30 0.00 -1.26 -4.87 120.51 125.66 1r82 n ALA 298 Ca -0.18 0.29 0.17 0.00 0.00 0.00 0.00 53.44 53.72 1r82 n ALA 298 Cb 0.51 -2.18 0.36 0.00 0.00 0.00 0.00 19.45 18.13 1r82 n ALA 298 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1r82 h VAL 299 N 2.04 0.39 -0.29 0.00 3.04 -1.93 -1.48 116.25 118.02 1r82 h VAL 299 Ca -0.46 -0.12 -0.22 0.00 -1.01 0.00 0.00 66.70 64.90 1r82 h VAL 299 Cb 1.31 0.01 -0.19 0.00 -2.01 0.00 0.00 31.29 30.41 1r82 h VAL 299 CO 0.60 0.06 -0.66 0.79 -1.01 0.00 0.00 177.57 177.35 1r82 n TRP 300 N -5.07 1.06 0.00 3.17 7.02 -1.26 -5.06 117.44 117.29 1r82 n TRP 300 Ca 0.25 -1.74 0.00 0.00 -1.02 0.00 0.00 57.50 54.99 1r82 n TRP 300 Cb 0.77 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1r82 n TRP 300 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1r82 n HIS 301 N -0.89 0.00 -0.35 -5.99 8.25 -0.56 -2.12 115.22 113.56 1r82 n HIS 301 Ca 0.27 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 1r82 n HIS 301 Cb 0.82 0.00 0.33 0.00 1.12 0.00 0.00 29.99 32.25 1r82 n HIS 301 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1r82 h ASP 302 N 0.00 0.78 -0.35 0.41 3.04 -1.98 -0.59 116.42 117.72 1r82 h ASP 302 Ca 0.00 0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 53.87 1r82 h ASP 302 Cb 0.00 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 38.22 1r82 h ASP 302 CO 0.00 0.28 0.18 -0.08 -2.04 0.00 0.00 179.24 177.57 1r82 h GLU 303 N 0.76 0.55 -0.58 4.15 4.81 -1.83 0.14 114.58 122.58 1r82 h GLU 303 Ca 0.57 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.67 1r82 h GLU 303 Cb 0.90 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1r82 h GLU 303 CO -0.37 0.44 0.07 0.77 -0.73 0.00 0.00 179.01 179.19 1r82 h SER 304 N 0.55 0.94 0.13 1.04 0.02 -1.08 -1.64 113.55 113.52 1r82 h SER 304 Ca 0.14 -0.27 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 1r82 h SER 304 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1r82 h SER 304 CO -0.02 0.98 -0.54 0.45 -1.14 0.00 0.00 176.83 176.56 1r82 h HIS 305 N 0.87 0.55 -0.69 3.45 3.86 -1.19 -2.34 115.15 119.66 1r82 h HIS 305 Ca 0.17 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1r82 h HIS 305 Cb 0.45 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1r82 h HIS 305 CO 0.03 0.88 0.44 1.25 0.86 0.00 0.00 177.93 181.39 1r82 h LEU 306 N 0.34 0.72 -0.83 2.43 5.85 -0.47 -0.01 115.31 123.35 1r82 h LEU 306 Ca 0.01 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1r82 h LEU 306 Cb 1.06 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1r82 h LEU 306 CO 0.10 0.51 -0.11 0.78 -0.34 0.00 0.00 178.44 179.37 1r82 h ASN 307 N 0.86 0.75 -0.50 1.25 2.35 -1.12 -0.88 115.58 118.30 1r82 h ASN 307 Ca 0.27 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1r82 h ASN 307 Cb -0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1r82 h ASN 307 CO -0.10 0.89 0.01 0.50 -1.65 0.00 0.00 177.43 177.08 1r82 h LYS 308 N 0.69 0.87 -0.25 0.81 1.63 -0.85 -1.91 116.57 117.57 1r82 h LYS 308 Ca 0.12 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1r82 h LYS 308 Cb 0.58 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1r82 h LYS 308 CO 0.04 0.90 0.10 -0.92 -3.45 0.00 0.00 179.45 176.11 1r82 h TYR 309 N 0.74 0.38 0.00 1.91 3.20 -0.72 -2.63 116.97 119.85 1r82 h TYR 309 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1r82 h TYR 309 Cb 0.50 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1r82 h TYR 309 CO 0.04 0.40 0.00 -0.07 -1.64 0.00 0.00 178.16 176.89 1r82 h LEU 310 N 0.25 0.00 -0.04 2.82 3.38 -1.10 0.25 115.31 120.87 1r82 h LEU 310 Ca 0.08 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1r82 h LEU 310 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1r82 h LEU 310 CO -0.01 0.00 -0.82 0.25 0.09 0.00 0.00 178.44 177.96 1r82 h LEU 311 N 0.00 0.79 0.00 1.67 5.85 -1.07 -3.27 115.31 119.29 1r82 h LEU 311 Ca 0.00 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1r82 h LEU 311 Cb 0.47 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1r82 h LEU 311 CO 0.00 1.39 -0.63 0.03 -0.34 0.00 0.00 178.44 178.89 1r82 h ARG 312 N 0.27 0.00 -3.01 1.25 2.47 -1.09 -3.40 114.38 110.86 1r82 h ARG 312 Ca -0.09 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.03 1r82 h ARG 312 Cb 1.48 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.40 1r82 h ARG 312 CO 0.16 0.00 -0.77 -1.01 0.56 0.00 0.00 179.97 178.92 1r82 s HIS 313 N -3.25 1.62 0.24 3.04 3.76 0.85 -5.10 115.29 116.44 1r82 s HIS 313 Ca 0.04 -2.08 -0.31 0.00 -0.15 0.00 0.00 55.06 52.55 1r82 s HIS 313 Cb 0.10 -1.62 -0.12 0.00 1.11 0.00 0.00 32.58 32.05 1r82 s HIS 313 CO 0.73 -0.81 1.60 1.63 -0.85 0.00 0.00 174.74 177.04 1r82 n LYS 314 N 3.95 2.53 -2.24 1.40 4.76 -1.23 -4.25 118.16 123.08 1r82 n LYS 314 Ca 0.07 0.90 -0.35 0.00 -2.87 0.00 0.00 58.31 56.07 1r82 n LYS 314 Cb 0.37 -2.68 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1r82 n LYS 314 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1r82 s PRO 315 N 0.26 3.35 0.00 1.97 0.04 -1.26 -4.93 135.00 134.43 1r82 s PRO 315 Ca 0.71 1.55 0.28 0.00 0.04 0.00 0.00 61.00 63.58 1r82 s PRO 315 Cb -0.55 -2.01 1.02 0.00 0.04 0.00 0.00 34.50 32.99 1r82 s PRO 315 CO 0.42 -0.84 1.75 0.25 0.04 0.00 0.00 177.00 178.63 1r82 n THR 316 N -1.38 0.00 -3.68 1.26 -2.24 0.17 -4.80 114.28 103.61 1r82 n THR 316 Ca 0.11 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1r82 n THR 316 Cb 0.51 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1r82 n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r82 s LYS 317 N -2.81 0.73 -0.07 -0.78 1.02 -1.16 -3.96 119.74 112.71 1r82 s LYS 317 Ca 0.18 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.42 1r82 s LYS 317 Cb 0.19 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1r82 s LYS 317 CO 0.56 -0.18 -0.17 0.08 -0.92 0.00 0.00 175.35 174.72 1r82 s VAL 318 N -0.76 1.48 -0.00 3.17 1.01 -0.43 -3.17 120.40 121.70 1r82 s VAL 318 Ca -0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1r82 s VAL 318 Cb -0.03 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1r82 s VAL 318 CO 0.04 0.43 0.46 -0.76 0.00 0.00 0.00 175.10 175.28 1r82 s LEU 319 N 0.39 4.46 0.94 3.92 1.43 0.10 -0.87 118.68 129.05 1r82 s LEU 319 Ca -0.13 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 1r82 s LEU 319 Cb -0.15 -2.69 0.15 0.00 0.03 0.00 0.00 46.19 43.53 1r82 s LEU 319 CO 0.05 0.25 1.11 -0.94 0.23 0.00 0.00 176.35 177.05 1r82 s SER 320 N -0.78 3.21 0.00 2.29 1.04 -0.92 -1.24 113.70 117.31 1r82 s SER 320 Ca 0.26 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1r82 s SER 320 Cb -0.17 -1.75 0.10 0.00 0.10 0.00 0.00 66.02 64.30 1r82 s SER 320 CO 0.14 -2.75 0.94 -2.65 0.98 0.00 0.00 173.24 169.90 1r82 n PRO 321 N -3.92 0.02 0.24 4.02 -0.02 -1.26 -1.44 135.00 132.64 1r82 n PRO 321 Ca 0.06 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1r82 n PRO 321 Cb 0.58 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.24 1r82 n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1r82 h GLU 322 N 0.00 0.00 -0.01 -0.52 5.08 -1.90 -2.14 114.58 115.09 1r82 h GLU 322 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r82 h GLU 322 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1r82 h GLU 322 CO 0.00 0.00 -0.17 0.66 -1.00 0.00 0.00 179.01 178.50 1r82 n TYR 323 N -4.44 0.00 -3.26 4.33 4.02 -0.52 -0.99 117.16 116.30 1r82 n TYR 323 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.82 1r82 n TYR 323 Cb 0.13 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1r82 n TYR 323 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1r82 s LEU 324 N -2.50 -1.03 0.18 7.72 1.43 -0.80 -4.33 118.68 119.34 1r82 s LEU 324 Ca 0.26 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1r82 s LEU 324 Cb 0.20 1.41 -0.04 0.00 0.03 0.00 0.00 46.19 47.78 1r82 s LEU 324 CO 0.50 -0.30 0.06 0.86 0.23 0.00 0.00 176.35 177.70 1r82 s TRP 325 N 2.35 1.14 -0.29 0.29 -0.11 -0.65 -4.21 118.94 117.45 1r82 s TRP 325 Ca 0.12 -1.18 -0.03 0.00 1.22 0.00 0.00 56.10 56.23 1r82 s TRP 325 Cb -0.11 -0.63 0.11 0.00 -1.50 0.00 0.00 33.47 31.34 1r82 s TRP 325 CO -0.22 -0.41 0.18 0.34 -4.62 0.00 0.00 176.95 172.22 1r82 s ASP 326 N -3.15 2.97 0.39 5.86 -1.08 -1.26 -1.41 116.67 118.99 1r82 s ASP 326 Ca 0.29 -1.12 0.12 0.00 -0.52 0.00 0.00 52.55 51.32 1r82 s ASP 326 Cb 0.07 -0.09 0.79 0.00 -1.46 0.00 0.00 42.92 42.23 1r82 s ASP 326 CO 0.06 -0.42 1.88 -0.61 0.52 0.00 0.00 175.17 176.59 1r82 h GLN 327 N 8.37 0.04 -0.29 4.34 4.15 -1.91 0.90 115.11 130.71 1r82 h GLN 327 Ca -0.18 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.07 1r82 h GLN 327 Cb 1.03 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1r82 h GLN 327 CO 0.41 0.33 -0.44 1.96 -1.93 0.00 0.00 178.83 179.16 1r82 h GLN 328 N 0.04 0.74 0.00 1.69 4.20 -1.95 0.38 115.11 120.20 1r82 h GLN 328 Ca 0.00 -0.40 -0.24 0.00 0.06 0.00 0.00 58.65 58.07 1r82 h GLN 328 Cb 0.54 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1r82 h GLN 328 CO 0.04 1.03 -1.48 1.25 -0.67 0.00 0.00 178.83 178.99 1r82 h LEU 329 N 0.59 0.00 -0.74 1.46 5.85 -1.96 -3.40 115.31 117.11 1r82 h LEU 329 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1r82 h LEU 329 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1r82 h LEU 329 CO 0.09 0.87 0.00 0.18 -0.34 0.00 0.00 178.44 179.24 1r82 n LEU 330 N -3.05 0.74 0.00 2.25 4.77 0.30 -5.09 117.00 116.91 1r82 n LEU 330 Ca -0.12 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1r82 n LEU 330 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1r82 n LEU 330 CO 0.44 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1r82 n GLY 331 N 0.19 0.36 2.49 -0.72 0.00 0.13 -4.53 105.19 103.12 1r82 n GLY 331 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1r82 n GLY 331 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r82 s TRP 332 N 0.00 1.24 0.65 1.61 -0.11 -1.26 -4.34 118.94 116.73 1r82 s TRP 332 Ca 0.00 -2.17 -0.17 0.00 1.22 0.00 0.00 56.10 54.98 1r82 s TRP 332 Cb 0.00 -1.16 -0.01 0.00 -1.50 0.00 0.00 33.47 30.81 1r82 s TRP 332 CO 0.00 -0.80 1.24 -2.14 -4.62 0.00 0.00 176.95 170.63 1r82 s PRO 333 N 0.33 2.58 0.49 5.86 0.02 -1.26 -4.92 135.00 138.10 1r82 s PRO 333 Ca 0.25 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.33 1r82 s PRO 333 Cb -0.09 -1.87 1.19 0.00 0.02 0.00 0.00 34.50 33.75 1r82 s PRO 333 CO -0.10 -1.53 2.09 0.00 -0.33 0.00 0.00 177.00 177.13 1r82 h ALA 334 N 0.42 1.83 0.00 -1.55 0.00 -2.00 -1.59 119.26 116.37 1r82 h ALA 334 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1r82 h ALA 334 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1r82 h ALA 334 CO 0.53 0.10 0.00 -0.24 0.00 0.00 0.00 179.25 179.64 1r82 h VAL 335 N 0.00 0.00 -3.31 0.00 3.04 -2.00 -3.37 116.25 110.60 1r82 h VAL 335 Ca -0.00 -0.22 -0.73 0.00 -1.01 0.00 0.00 66.70 64.74 1r82 h VAL 335 Cb 0.14 1.00 -0.27 0.00 -2.01 0.00 0.00 31.29 30.15 1r82 h VAL 335 CO 0.01 0.00 -0.37 -0.76 -1.01 0.00 0.00 177.57 175.44 1r82 s LEU 336 N -5.11 5.59 0.38 3.16 1.43 -0.60 -4.92 118.68 118.62 1r82 s LEU 336 Ca 0.01 -1.65 0.21 0.00 -1.03 0.00 0.00 54.13 51.67 1r82 s LEU 336 Cb 0.09 -2.07 0.62 0.00 0.03 0.00 0.00 46.19 44.86 1r82 s LEU 336 CO 0.39 -0.66 1.70 0.03 0.23 0.00 0.00 176.35 178.03 1r82 h ARG 337 N 8.57 0.00 -3.68 1.70 3.08 -1.83 -3.45 114.38 118.77 1r82 h ARG 337 Ca -0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.63 1r82 h ARG 337 Cb 1.09 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.91 1r82 h ARG 337 CO 0.86 0.32 -0.60 0.15 -1.07 0.00 0.00 179.97 179.63 1r82 s LYS 338 N -3.44 0.32 -0.34 0.04 1.02 -1.26 -5.11 119.74 110.98 1r82 s LYS 338 Ca 0.02 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 1r82 s LYS 338 Cb 0.09 0.13 0.07 0.00 -0.52 0.00 0.00 37.83 37.60 1r82 s LYS 338 CO 0.68 -0.06 0.06 -0.51 -0.92 0.00 0.00 175.35 174.60 1r82 s LEU 339 N -1.02 4.37 -0.18 3.17 1.43 -1.26 -4.61 118.68 120.58 1r82 s LEU 339 Ca -0.11 -1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 51.38 1r82 s LEU 339 Cb -0.07 -1.73 -0.22 0.00 0.03 0.00 0.00 46.19 44.20 1r82 s LEU 339 CO 0.00 -0.35 0.11 0.54 0.23 0.00 0.00 176.35 176.88 1r82 n ARG 340 N 4.57 0.71 -3.66 1.70 1.74 -0.17 -3.68 116.66 117.88 1r82 n ARG 340 Ca -0.08 0.21 -0.22 0.00 -0.77 0.00 0.00 57.85 56.99 1r82 n ARG 340 Cb 0.43 -1.63 -0.18 0.00 -1.02 0.00 0.00 32.46 30.06 1r82 n ARG 340 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1r82 s PHE 341 N -2.54 0.14 0.20 -1.55 5.36 -1.22 -0.23 117.98 118.15 1r82 s PHE 341 Ca -0.27 0.04 0.05 0.00 -0.96 0.00 0.00 56.93 55.78 1r82 s PHE 341 Cb 0.08 -0.57 -0.05 0.00 -0.34 0.00 0.00 43.02 42.14 1r82 s PHE 341 CO 0.70 -0.31 -0.07 0.95 -1.46 0.00 0.00 175.22 175.03 1r82 s THR 342 N 2.15 1.27 0.49 0.12 -4.23 -0.47 -1.63 115.64 113.33 1r82 s THR 342 Ca 0.04 -2.08 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 1r82 s THR 342 Cb -0.13 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 1r82 s THR 342 CO -0.05 -0.53 1.09 0.00 -0.54 0.00 0.00 174.62 174.59 1r82 s ALA 343 N -3.26 2.86 -0.21 3.99 0.00 -0.50 -1.20 121.76 123.44 1r82 s ALA 343 Ca 0.23 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1r82 s ALA 343 Cb 0.03 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1r82 s ALA 343 CO 0.06 -0.51 0.19 0.08 0.00 0.00 0.00 175.76 175.58 1r82 s VAL 344 N -1.79 5.35 -2.00 0.00 1.01 -1.12 -4.81 120.40 117.04 1r82 s VAL 344 Ca 0.67 0.28 0.13 0.00 0.00 0.00 0.00 61.98 63.06 1r82 s VAL 344 Cb -0.22 -3.53 0.38 0.00 0.00 0.00 0.00 36.38 33.02 1r82 s VAL 344 CO 0.26 0.37 1.23 -0.81 0.00 0.00 0.00 175.10 176.15