#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r81 s VAL 64 N 0.00 3.77 0.47 1.12 1.01 -1.26 -4.99 120.40 120.51 1r81 s VAL 64 Ca 0.00 0.96 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 1r81 s VAL 64 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1r81 s VAL 64 CO 0.00 -0.38 1.32 -0.44 0.00 0.00 0.00 175.10 175.60 1r81 s SER 65 N -2.40 5.89 0.51 3.32 0.01 -1.26 -5.01 113.70 114.76 1r81 s SER 65 Ca 0.66 2.67 -0.18 0.00 1.31 0.00 0.00 55.95 60.41 1r81 s SER 65 Cb -0.17 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.35 1r81 s SER 65 CO 0.29 -1.14 1.00 -0.76 0.41 0.00 0.00 173.24 173.04 1r81 s LEU 66 N -2.92 3.68 0.79 2.44 1.43 -1.26 -5.05 118.68 117.79 1r81 s LEU 66 Ca 0.63 1.67 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 1r81 s LEU 66 Cb -0.38 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.41 1r81 s LEU 66 CO 0.47 -0.66 1.13 -2.16 0.23 0.00 0.00 176.35 175.36 1r81 s PRO 67 N -3.83 1.79 0.29 1.29 0.04 -1.26 -4.98 135.00 128.34 1r81 s PRO 67 Ca 0.61 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 1r81 s PRO 67 Cb -0.11 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1r81 s PRO 67 CO 0.28 -1.59 1.61 -2.13 0.04 0.00 0.00 177.00 175.21 1r81 n ARG 68 N -3.21 2.72 -3.93 4.56 0.63 -1.26 -4.99 116.66 111.18 1r81 n ARG 68 Ca 0.10 0.97 -0.12 0.00 -0.92 0.00 0.00 57.85 57.87 1r81 n ARG 68 Cb 0.60 -2.76 -0.14 0.00 0.45 0.00 0.00 32.46 30.62 1r81 n ARG 68 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r81 s MET 69 N -0.37 0.10 -0.25 -0.14 -1.94 -1.26 -5.13 119.30 110.31 1r81 s MET 69 Ca 0.65 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 54.49 1r81 s MET 69 Cb -0.49 -0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.29 1r81 s MET 69 CO 0.47 0.02 -0.01 0.08 -0.01 0.00 0.00 175.02 175.57 1r81 s VAL 70 N -0.16 3.45 0.20 -6.03 1.01 -1.26 -5.08 120.40 112.53 1r81 s VAL 70 Ca -0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1r81 s VAL 70 Cb -0.01 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1r81 s VAL 70 CO -0.00 0.26 0.53 -0.72 0.00 0.00 0.00 175.10 175.18 1r81 s TYR 71 N 1.45 -0.15 0.26 5.22 -0.85 -1.26 -5.14 117.35 116.88 1r81 s TYR 71 Ca 0.03 -0.19 -0.31 0.00 -0.52 0.00 0.00 57.07 56.09 1r81 s TYR 71 Cb -0.16 0.41 -0.13 0.00 0.38 0.00 0.00 41.96 42.47 1r81 s TYR 71 CO -0.02 -0.92 1.46 -2.30 -1.52 0.00 0.00 175.55 172.25 1r81 n PRO 72 N -0.35 2.23 -2.18 -3.49 -0.02 -1.26 -4.94 135.00 125.00 1r81 n PRO 72 Ca -0.10 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1r81 n PRO 72 Cb 0.62 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1r81 n PRO 72 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1r81 s GLN 73 N -0.49 4.37 0.42 -0.52 0.74 -1.26 -4.97 119.66 117.95 1r81 s GLN 73 Ca 0.66 2.11 -0.25 0.00 0.05 0.00 0.00 55.36 57.93 1r81 s GLN 73 Cb -0.60 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.26 1r81 s GLN 73 CO 0.50 -0.27 1.27 -1.25 -0.55 0.00 0.00 175.29 174.98 1r81 s PRO 74 N -0.28 3.91 -0.47 1.67 0.04 -1.26 -4.97 135.00 133.64 1r81 s PRO 74 Ca 0.57 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.54 1r81 s PRO 74 Cb -0.38 -2.68 0.09 0.00 0.04 0.00 0.00 34.50 31.58 1r81 s PRO 74 CO 0.40 -0.51 0.38 0.15 0.04 0.00 0.00 177.00 177.46 1r81 s LYS 75 N -2.33 2.85 0.43 4.56 1.02 -1.26 -4.96 119.74 120.04 1r81 s LYS 75 Ca 0.58 -1.48 0.15 0.00 0.02 0.00 0.00 55.97 55.24 1r81 s LYS 75 Cb -0.36 -4.06 1.04 0.00 -0.52 0.00 0.00 37.83 33.93 1r81 s LYS 75 CO 0.46 -1.08 1.94 0.28 -0.92 0.00 0.00 175.35 176.02 1r81 h VAL 76 N 5.89 0.83 -0.75 3.17 2.07 -2.03 -1.82 116.25 123.61 1r81 h VAL 76 Ca -0.27 -0.14 -0.26 0.00 0.82 0.00 0.00 66.70 66.85 1r81 h VAL 76 Cb 1.10 0.37 -0.15 0.00 -1.52 0.00 0.00 31.29 31.08 1r81 h VAL 76 CO 0.88 0.08 0.31 0.18 0.02 0.00 0.00 177.57 179.04 1r81 n LEU 77 N -4.48 6.08 -3.61 2.57 4.77 -1.26 -4.83 117.00 116.25 1r81 n LEU 77 Ca 0.13 -3.31 -0.24 0.00 -0.03 0.00 0.00 56.01 52.56 1r81 n LEU 77 Cb 0.48 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 1r81 n LEU 77 CO 0.33 0.87 -0.32 -0.89 -1.33 0.00 0.00 177.39 176.05 1r81 s THR 78 N -3.06 -0.12 0.63 -5.08 2.01 -0.68 -5.14 115.64 104.20 1r81 s THR 78 Ca 0.55 -0.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 1r81 s THR 78 Cb 0.44 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 1r81 s THR 78 CO 0.12 -0.21 1.23 -2.84 -0.69 0.00 0.00 174.62 172.23 1r81 s PRO 79 N 2.17 2.70 0.01 4.92 0.02 -1.26 -4.71 135.00 138.85 1r81 s PRO 79 Ca 0.03 1.88 -0.25 0.00 0.02 0.00 0.00 61.00 62.68 1r81 s PRO 79 Cb -0.15 -1.89 -0.19 0.00 0.02 0.00 0.00 34.50 32.29 1r81 s PRO 79 CO -0.09 -1.43 1.38 0.00 -0.33 0.00 0.00 177.00 176.54 1r81 s ARG 81 N -4.78 0.70 0.00 0.00 1.81 -1.26 -4.93 118.95 110.48 1r81 s ARG 81 Ca -0.15 -0.24 0.11 0.00 -1.72 0.00 0.00 55.73 53.73 1r81 s ARG 81 Cb 0.03 -0.68 0.11 0.00 -0.45 0.00 0.00 34.95 33.96 1r81 s ARG 81 CO 0.66 0.11 0.89 1.63 -0.68 0.00 0.00 175.30 177.91 1r81 n LYS 82 N 3.17 0.77 -0.00 3.54 5.02 -1.26 -4.45 118.16 124.94 1r81 n LYS 82 Ca -0.16 -1.25 0.08 0.00 -2.02 0.00 0.00 58.31 54.96 1r81 n LYS 82 Cb 0.56 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 1r81 n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1r81 n ASP 83 N 0.62 0.83 -3.98 4.39 5.75 -1.26 -5.02 116.55 117.87 1r81 n ASP 83 Ca 0.07 -0.75 -0.08 0.00 -0.01 0.00 0.00 54.79 54.02 1r81 n ASP 83 Cb 0.29 1.11 -0.09 0.00 -1.03 0.00 0.00 41.12 41.41 1r81 n ASP 83 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1r81 s VAL 84 N -2.62 0.17 -0.08 2.12 -7.23 -1.26 -5.11 120.40 106.39 1r81 s VAL 84 Ca 0.04 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1r81 s VAL 84 Cb 0.12 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1r81 s VAL 84 CO 0.67 -0.78 1.01 -0.22 -0.31 0.00 0.00 175.10 175.47 1r81 s LEU 85 N -2.90 4.27 0.00 1.32 2.96 -1.26 -4.82 118.68 118.25 1r81 s LEU 85 Ca 0.08 1.57 0.10 0.00 -0.22 0.00 0.00 54.13 55.66 1r81 s LEU 85 Cb 0.06 -3.56 0.19 0.00 0.50 0.00 0.00 46.19 43.38 1r81 s LEU 85 CO -0.09 -0.41 1.04 1.33 -1.32 0.00 0.00 176.35 176.89 1r81 n VAL 86 N 4.41 0.51 -3.72 1.68 0.24 -1.26 -4.77 118.33 115.41 1r81 n VAL 86 Ca 0.08 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1r81 n VAL 86 Cb 0.49 0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 33.61 1r81 n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r81 s VAL 87 N -0.94 -0.01 0.75 3.34 0.11 -1.26 -0.91 120.40 121.49 1r81 s VAL 87 Ca 0.17 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1r81 s VAL 87 Cb 0.10 -0.59 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 1r81 s VAL 87 CO 0.14 0.01 1.11 0.42 -3.33 0.00 0.00 175.10 173.45 1r81 s THR 88 N 0.54 2.51 -0.91 5.04 -4.23 0.53 -4.89 115.64 114.22 1r81 s THR 88 Ca -0.03 0.07 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1r81 s THR 88 Cb -0.04 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1r81 s THR 88 CO -0.03 -0.18 1.37 -0.81 -0.54 0.00 0.00 174.62 174.43 1r81 n PRO 89 N -3.13 0.03 -0.79 3.99 -0.04 -1.26 -1.25 135.00 132.56 1r81 n PRO 89 Ca 0.08 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.91 1r81 n PRO 89 Cb 0.60 -1.56 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 1r81 n PRO 89 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1r81 n TRP 90 N -1.61 1.74 -3.17 0.54 2.14 -1.26 -4.95 117.44 110.87 1r81 n TRP 90 Ca 0.02 -1.04 -0.22 0.00 2.07 0.00 0.00 57.50 58.33 1r81 n TRP 90 Cb 0.12 -0.51 0.05 0.00 -0.81 0.00 0.00 31.31 30.16 1r81 n TRP 90 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1r81 n LEU 91 N -0.21 -2.88 -4.77 5.67 4.77 -0.38 -5.01 117.00 114.18 1r81 n LEU 91 Ca 0.31 -0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 55.58 1r81 n LEU 91 Cb 1.15 -2.92 -0.07 0.00 -2.33 0.00 0.00 43.42 39.25 1r81 n LEU 91 CO 0.30 0.35 -0.16 0.00 -1.33 0.00 0.00 177.39 176.55 1r81 s ALA 92 N -3.21 3.74 0.54 -1.18 0.00 -1.26 -4.85 121.76 115.53 1r81 s ALA 92 Ca 0.38 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 1r81 s ALA 92 Cb -0.17 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 1r81 s ALA 92 CO 0.47 0.28 1.17 -2.14 0.00 0.00 0.00 175.76 175.54 1r81 s PRO 93 N -0.03 3.35 -0.26 0.00 0.02 -1.26 -0.35 135.00 136.47 1r81 s PRO 93 Ca 0.11 1.73 -0.06 0.00 0.02 0.00 0.00 61.00 62.80 1r81 s PRO 93 Cb -0.11 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 1r81 s PRO 93 CO 0.00 -0.88 0.04 0.42 -0.33 0.00 0.00 177.00 176.25 1r81 s ILE 94 N -1.65 3.84 -0.53 2.83 1.01 -0.09 -1.68 121.20 124.93 1r81 s ILE 94 Ca 0.72 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.57 1r81 s ILE 94 Cb -0.27 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.36 1r81 s ILE 94 CO 0.31 0.25 1.14 -0.69 0.00 0.00 0.00 174.94 175.95 1r81 s VAL 95 N 1.51 4.14 0.16 2.92 1.01 -0.06 -4.71 120.40 125.38 1r81 s VAL 95 Ca 0.04 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1r81 s VAL 95 Cb -0.16 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1r81 s VAL 95 CO 0.01 -1.17 -0.17 0.26 0.00 0.00 0.00 175.10 174.03 1r81 s TRP 96 N 4.63 1.73 0.22 5.22 0.52 -1.26 -2.12 118.94 127.88 1r81 s TRP 96 Ca 0.44 -0.50 -0.31 0.00 0.02 0.00 0.00 56.10 55.75 1r81 s TRP 96 Cb -0.08 -0.86 -0.11 0.00 -1.15 0.00 0.00 33.47 31.28 1r81 s TRP 96 CO 0.28 0.30 1.56 -2.00 0.02 0.00 0.00 176.95 177.10 1r81 s GLU 97 N -2.89 4.20 0.00 4.98 2.56 -1.26 -2.29 118.70 124.00 1r81 s GLU 97 Ca 0.15 2.42 0.00 0.00 0.00 0.00 0.00 54.97 57.54 1r81 s GLU 97 Cb -0.05 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.98 1r81 s GLU 97 CO 0.06 -0.58 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 1r81 n GLY 98 N 3.02 1.04 0.06 -1.50 0.00 -1.26 -4.93 105.19 101.62 1r81 n GLY 98 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1r81 n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r81 n THR 99 N -1.37 0.30 -4.25 2.61 -2.24 -0.97 -4.88 114.28 103.49 1r81 n THR 99 Ca 0.00 -0.45 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 1r81 n THR 99 Cb 0.00 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.04 1r81 n THR 99 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1r81 s PHE 100 N -3.37 1.55 -0.42 4.78 -0.12 -1.26 -5.06 117.98 114.08 1r81 s PHE 100 Ca -0.02 -0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 56.27 1r81 s PHE 100 Cb 0.12 -0.83 0.06 0.00 -0.63 0.00 0.00 43.02 41.74 1r81 s PHE 100 CO 0.83 0.17 0.29 1.21 -0.05 0.00 0.00 175.22 177.67 1r81 s ASN 101 N -2.12 5.85 0.51 1.98 3.84 -1.26 -4.96 114.94 118.78 1r81 s ASN 101 Ca 0.06 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.10 1r81 s ASN 101 Cb -0.08 -2.07 1.39 0.00 -0.55 0.00 0.00 41.25 39.94 1r81 s ASN 101 CO 0.04 -0.53 2.06 -0.29 -2.79 0.00 0.00 177.10 175.59 1r81 h ILE 102 N 5.90 0.65 -0.50 -5.21 6.09 -1.99 -2.74 117.51 119.72 1r81 h ILE 102 Ca -0.25 -0.54 -0.08 0.00 -1.37 0.00 0.00 64.86 62.61 1r81 h ILE 102 Cb 1.10 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 1r81 h ILE 102 CO 0.77 0.13 -0.01 0.44 -3.07 0.00 0.00 178.15 176.41 1r81 h ASP 103 N 0.00 0.87 -0.18 2.19 3.32 -1.99 0.13 116.42 120.77 1r81 h ASP 103 Ca -0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1r81 h ASP 103 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1r81 h ASP 103 CO 0.02 0.97 0.01 0.40 -1.72 0.00 0.00 179.24 178.92 1r81 h ILE 104 N 0.75 1.25 -0.56 0.35 2.04 -1.93 -2.34 117.51 117.06 1r81 h ILE 104 Ca 0.14 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1r81 h ILE 104 Cb 0.53 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1r81 h ILE 104 CO 0.03 0.25 0.31 -0.07 0.00 0.00 0.00 178.15 178.67 1r81 h LEU 105 N 0.07 0.70 -0.92 1.44 3.38 -1.40 -1.45 115.31 117.14 1r81 h LEU 105 Ca 0.05 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1r81 h LEU 105 Cb 0.37 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1r81 h LEU 105 CO 0.01 0.59 0.60 0.78 0.09 0.00 0.00 178.44 180.51 1r81 h ASN 106 N 0.76 1.02 0.01 -0.43 2.35 -0.69 -1.28 115.58 117.31 1r81 h ASN 106 Ca 0.20 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1r81 h ASN 106 Cb 0.05 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1r81 h ASN 106 CO -0.03 0.71 -0.00 -0.33 -1.65 0.00 0.00 177.43 176.13 1r81 h GLU 107 N 1.19 -0.01 -0.67 0.81 4.39 -0.99 -0.02 114.58 119.28 1r81 h GLU 107 Ca 0.35 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.10 1r81 h GLU 107 Cb -0.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1r81 h GLU 107 CO -0.10 0.04 0.39 1.96 -1.16 0.00 0.00 179.01 180.14 1r81 h GLN 108 N -0.05 0.72 0.02 2.33 4.20 -0.77 -1.75 115.11 119.81 1r81 h GLN 108 Ca -0.00 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 1r81 h GLN 108 Cb 0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1r81 h GLN 108 CO 0.00 0.48 -0.99 0.74 -0.67 0.00 0.00 178.83 178.39 1r81 h PHE 109 N 0.74 0.08 -0.24 2.96 -1.00 -1.12 -3.24 116.94 115.13 1r81 h PHE 109 Ca 0.28 -0.05 -0.14 0.00 2.81 0.00 0.00 57.97 60.87 1r81 h PHE 109 Cb 0.11 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1r81 h PHE 109 CO -0.06 1.00 -0.42 0.00 -1.61 0.00 0.00 178.31 177.21 1r81 h ARG 110 N 0.02 0.57 0.00 1.51 2.47 -0.85 -2.26 114.38 115.85 1r81 h ARG 110 Ca -0.03 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1r81 h ARG 110 Cb 1.72 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 1r81 h ARG 110 CO 0.14 0.89 0.00 -0.07 0.56 0.00 0.00 179.97 181.49 1r81 h LEU 111 N 0.47 0.00 -1.34 3.04 3.38 -1.36 0.17 115.31 119.67 1r81 h LEU 111 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1r81 h LEU 111 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1r81 h LEU 111 CO 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.46 1r81 n GLN 112 N -2.99 1.75 -3.86 1.13 1.13 -0.88 -4.90 117.38 108.75 1r81 n GLN 112 Ca -0.02 -1.34 -0.24 0.00 -1.94 0.00 0.00 57.00 53.46 1r81 n GLN 112 Cb 0.15 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.02 1r81 n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1r81 n ASN 113 N 0.55 -0.74 -4.75 1.08 5.15 0.59 -4.87 115.26 112.26 1r81 n ASN 113 Ca 0.14 -0.93 -0.41 0.00 -0.60 0.00 0.00 54.58 52.77 1r81 n ASN 113 Cb 0.49 -3.43 -0.02 0.00 -0.53 0.00 0.00 39.78 36.29 1r81 n ASN 113 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1r81 s THR 114 N -3.83 2.62 -0.13 -0.44 2.01 -1.00 -4.97 115.64 109.90 1r81 s THR 114 Ca 0.03 0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1r81 s THR 114 Cb -0.01 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1r81 s THR 114 CO 0.86 0.10 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.80 1r81 s THR 115 N -0.39 2.28 -0.17 -0.82 2.01 -1.26 -3.34 115.64 113.95 1r81 s THR 115 Ca 0.56 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 1r81 s THR 115 Cb -0.42 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1r81 s THR 115 CO 0.47 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.26 1r81 s ILE 116 N 0.67 3.53 -0.07 1.82 1.09 0.14 -0.87 121.20 127.52 1r81 s ILE 116 Ca -0.10 -0.47 -0.13 0.00 -1.10 0.00 0.00 60.65 58.85 1r81 s ILE 116 Cb -0.16 -2.55 -0.05 0.00 -1.06 0.00 0.00 42.46 38.64 1r81 s ILE 116 CO 0.02 0.48 0.32 -0.83 -0.10 0.00 0.00 174.94 174.83 1r81 s GLY 117 N 0.73 2.34 -0.20 6.18 0.00 0.50 -0.96 107.32 115.90 1r81 s GLY 117 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1r81 s GLY 117 CO 0.02 0.14 -0.16 -2.27 0.00 0.00 0.00 173.10 170.82 1r81 s LEU 118 N -0.59 2.48 -0.06 0.66 2.96 -0.02 -0.42 118.68 123.69 1r81 s LEU 118 Ca 0.20 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1r81 s LEU 118 Cb -0.15 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1r81 s LEU 118 CO 0.09 -0.07 -0.03 0.42 -1.32 0.00 0.00 176.35 175.44 1r81 s THR 119 N 1.26 4.03 -0.01 3.68 -4.23 -0.04 -0.33 115.64 120.00 1r81 s THR 119 Ca 0.01 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.99 1r81 s THR 119 Cb -0.15 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1r81 s THR 119 CO -0.10 0.55 0.20 0.68 -0.54 0.00 0.00 174.62 175.41 1r81 s VAL 120 N -0.90 0.07 -0.10 2.29 -7.23 -0.67 -2.37 120.40 111.49 1r81 s VAL 120 Ca 0.14 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1r81 s VAL 120 Cb -0.11 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1r81 s VAL 120 CO 0.04 -0.32 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.02 1r81 s PHE 121 N -1.30 2.80 -0.36 2.82 0.40 -1.26 -1.06 117.98 120.03 1r81 s PHE 121 Ca -0.14 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1r81 s PHE 121 Cb -0.06 -1.77 0.13 0.00 0.51 0.00 0.00 43.02 41.83 1r81 s PHE 121 CO 0.02 -0.03 0.20 0.00 0.70 0.00 0.00 175.22 176.12 1r81 s ALA 122 N -0.09 1.14 0.02 5.36 0.00 0.73 -4.51 121.76 124.41 1r81 s ALA 122 Ca -0.01 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.09 1r81 s ALA 122 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1r81 s ALA 122 CO 0.04 -2.02 -0.05 0.42 0.00 0.00 0.00 175.76 174.14 1r81 s ILE 123 N 1.10 3.77 0.00 0.00 1.09 -1.26 -3.79 121.20 122.10 1r81 s ILE 123 Ca 0.16 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 1r81 s ILE 123 Cb -0.22 -2.67 0.00 0.00 -1.06 0.00 0.00 42.46 38.50 1r81 s ILE 123 CO -0.05 0.34 0.00 0.29 -0.10 0.00 0.00 174.94 175.42 1r81 n LYS 124 N 1.36 0.00 0.33 2.79 5.02 -1.26 -2.06 118.16 124.34 1r81 n LYS 124 Ca -0.15 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.37 1r81 n LYS 124 Cb 0.52 0.00 1.20 0.00 -0.02 0.00 0.00 35.03 36.73 1r81 n LYS 124 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1r81 h LYS 125 N 0.00 0.00 0.00 1.97 -0.00 -2.05 -2.83 116.57 113.66 1r81 h LYS 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1r81 h LYS 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1r81 h LYS 125 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.11 1r81 n TYR 126 N -3.07 0.11 0.30 0.07 4.02 -0.88 -2.42 117.16 115.30 1r81 n TYR 126 Ca -0.03 0.05 0.18 0.00 -0.01 0.00 0.00 57.90 58.08 1r81 n TYR 126 Cb 0.08 -0.57 0.81 0.00 -0.02 0.00 0.00 39.34 39.64 1r81 n TYR 126 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1r81 h VAL 127 N 0.00 0.00 0.00 -0.72 -1.51 -1.69 -2.15 116.25 110.18 1r81 h VAL 127 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1r81 h VAL 127 Cb 0.26 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1r81 h VAL 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1r81 h ALA 128 N 2.04 1.00 0.00 5.19 0.00 -1.74 -2.92 119.26 122.83 1r81 h ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r81 h ALA 128 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r81 h ALA 128 CO 0.00 0.00 -0.74 1.19 0.00 0.00 0.00 179.25 179.70 1r81 n PHE 129 N -2.33 0.14 -0.21 0.00 3.01 -0.81 -4.47 117.46 112.81 1r81 n PHE 129 Ca 0.02 0.04 -0.03 0.00 1.01 0.00 0.00 57.45 58.50 1r81 n PHE 129 Cb 0.24 -0.32 0.08 0.00 -0.01 0.00 0.00 39.48 39.47 1r81 n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1r81 h LEU 130 N 0.00 0.48 0.28 4.37 3.38 -1.65 -2.13 115.31 120.03 1r81 h LEU 130 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1r81 h LEU 130 Cb 0.60 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1r81 h LEU 130 CO 0.00 0.31 -0.39 0.50 0.09 0.00 0.00 178.44 178.96 1r81 h LYS 131 N 0.61 -0.70 -0.71 1.13 3.64 -1.80 0.48 116.57 119.23 1r81 h LYS 131 Ca 0.27 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1r81 h LYS 131 Cb 0.17 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1r81 h LYS 131 CO -0.18 -0.47 0.26 1.25 -2.27 0.00 0.00 179.45 178.05 1r81 h LEU 132 N -0.72 0.97 0.34 5.20 5.85 -1.85 -0.03 115.31 125.07 1r81 h LEU 132 Ca -0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1r81 h LEU 132 Cb 0.69 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1r81 h LEU 132 CO -0.13 0.88 -0.19 0.15 -0.34 0.00 0.00 178.44 178.81 1r81 h PHE 133 N 1.03 -0.50 -0.50 1.25 3.57 -1.06 -1.70 116.94 119.03 1r81 h PHE 133 Ca 0.24 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 1r81 h PHE 133 Cb 0.23 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1r81 h PHE 133 CO 0.02 -0.30 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.58 1r81 h LEU 134 N -0.50 0.99 -0.60 0.59 3.38 -0.78 -1.50 115.31 116.89 1r81 h LEU 134 Ca -0.04 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1r81 h LEU 134 Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1r81 h LEU 134 CO 0.05 1.13 0.31 -0.33 0.09 0.00 0.00 178.44 179.70 1r81 h GLU 135 N 0.83 0.86 0.00 1.13 5.08 -0.96 -1.43 114.58 120.10 1r81 h GLU 135 Ca 0.12 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1r81 h GLU 135 Cb 0.71 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1r81 h GLU 135 CO 0.05 0.68 -0.64 1.79 -1.00 0.00 0.00 179.01 179.89 1r81 h THR 136 N 0.82 1.34 -0.42 1.13 1.35 -1.29 -2.91 112.91 112.94 1r81 h THR 136 Ca 0.21 -2.29 -0.08 0.00 -0.55 0.00 0.00 66.41 63.70 1r81 h THR 136 Cb 0.09 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1r81 h THR 136 CO -0.03 0.63 -0.05 0.00 -0.25 0.00 0.00 175.52 175.82 1r81 h ALA 137 N 1.36 1.12 0.00 6.62 0.00 -0.91 -1.00 119.26 126.44 1r81 h ALA 137 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1r81 h ALA 137 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1r81 h ALA 137 CO 0.08 0.56 -0.13 0.93 0.00 0.00 0.00 179.25 180.69 1r81 h GLU 138 N 0.66 0.00 0.00 0.00 4.39 -1.07 0.13 114.58 118.68 1r81 h GLU 138 Ca 0.12 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 1r81 h GLU 138 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1r81 h GLU 138 CO 0.03 0.13 -1.38 0.87 -1.16 0.00 0.00 179.01 177.50 1r81 h LYS 139 N 0.00 0.00 0.00 2.33 1.57 -1.22 -3.43 116.57 115.82 1r81 h LYS 139 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r81 h LYS 139 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1r81 h LYS 139 CO 0.02 0.34 -0.20 0.72 -0.57 0.00 0.00 179.45 179.76 1r81 n HIS 140 N -2.94 0.00 -3.31 -1.35 8.25 -0.48 -4.93 115.22 110.45 1r81 n HIS 140 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1r81 n HIS 140 Cb 0.86 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.89 1r81 n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1r81 s PHE 141 N -0.76 3.18 -1.25 4.41 5.36 0.42 -1.34 117.98 128.01 1r81 s PHE 141 Ca 0.00 -0.03 -0.09 0.00 -0.96 0.00 0.00 56.93 55.85 1r81 s PHE 141 Cb 0.00 -2.84 0.07 0.00 -0.34 0.00 0.00 43.02 39.91 1r81 s PHE 141 CO 0.00 -0.55 0.45 -1.33 -1.46 0.00 0.00 175.22 172.33 1r81 n MET 142 N 5.59 -3.23 -1.70 10.12 2.81 -0.13 -4.83 117.12 125.75 1r81 n MET 142 Ca -0.07 0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 55.84 1r81 n MET 142 Cb 0.49 -5.14 -0.03 0.00 -0.71 0.00 0.00 33.22 27.82 1r81 n MET 142 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1r81 n VAL 143 N -3.86 0.12 0.00 2.03 0.31 -1.26 -1.33 118.33 114.34 1r81 n VAL 143 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1r81 n VAL 143 Cb 0.54 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1r81 n VAL 143 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r81 n GLY 144 N 3.92 2.62 3.81 2.92 0.00 -1.26 -5.07 105.19 112.12 1r81 n GLY 144 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1r81 n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r81 s HIS 145 N -2.64 2.76 -0.04 1.61 4.02 -0.44 -5.07 115.29 115.49 1r81 s HIS 145 Ca 0.00 -0.40 -0.30 0.00 1.02 0.00 0.00 55.06 55.38 1r81 s HIS 145 Cb 0.00 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.58 29.68 1r81 s HIS 145 CO 0.00 0.17 1.22 1.03 1.02 0.00 0.00 174.74 178.17 1r81 s ARG 146 N -3.97 4.35 -0.03 1.40 0.52 -1.21 -4.81 118.95 115.20 1r81 s ARG 146 Ca 0.41 1.70 0.04 0.00 -0.52 0.00 0.00 55.73 57.37 1r81 s ARG 146 Cb -0.03 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 1r81 s ARG 146 CO 0.25 -0.45 -0.15 0.08 0.02 0.00 0.00 175.30 175.06 1r81 s VAL 147 N 2.16 1.24 -0.21 3.52 1.01 -1.07 -0.68 120.40 126.37 1r81 s VAL 147 Ca 0.57 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1r81 s VAL 147 Cb -0.26 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1r81 s VAL 147 CO 0.23 0.36 -0.07 -2.28 0.00 0.00 0.00 175.10 173.34 1r81 s HIS 148 N -0.06 2.24 0.05 5.22 2.46 -0.14 -1.25 115.29 123.81 1r81 s HIS 148 Ca -0.01 -1.54 -0.23 0.00 0.47 0.00 0.00 55.06 53.76 1r81 s HIS 148 Cb -0.09 -1.54 -0.06 0.00 -0.13 0.00 0.00 32.58 30.76 1r81 s HIS 148 CO 0.01 -0.73 0.68 0.71 -2.47 0.00 0.00 174.74 172.94 1r81 s TYR 149 N 1.45 3.75 -0.26 3.88 1.51 0.87 -0.84 117.35 127.71 1r81 s TYR 149 Ca -0.03 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.43 1r81 s TYR 149 Cb -0.17 -2.69 0.06 0.00 -0.11 0.00 0.00 41.96 39.05 1r81 s TYR 149 CO -0.07 0.38 -0.07 0.71 -1.11 0.00 0.00 175.55 175.38 1r81 s TYR 150 N -0.40 3.02 -0.36 2.71 1.51 0.55 -0.47 117.35 123.91 1r81 s TYR 150 Ca 0.34 -2.21 -0.11 0.00 -1.01 0.00 0.00 57.07 54.08 1r81 s TYR 150 Cb -0.20 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1r81 s TYR 150 CO 0.21 -0.86 0.20 0.08 -1.11 0.00 0.00 175.55 174.07 1r81 s VAL 151 N 1.18 4.55 -0.33 0.71 1.01 -0.16 -1.68 120.40 125.68 1r81 s VAL 151 Ca -0.06 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1r81 s VAL 151 Cb -0.19 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1r81 s VAL 151 CO -0.06 -0.19 0.46 -0.36 0.00 0.00 0.00 175.10 174.94 1r81 s PHE 152 N 1.56 3.20 0.08 5.22 0.40 -0.22 -0.60 117.98 127.61 1r81 s PHE 152 Ca 0.02 0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.48 1r81 s PHE 152 Cb -0.19 -2.80 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 1r81 s PHE 152 CO 0.06 -0.45 0.13 -0.08 0.70 0.00 0.00 175.22 175.58 1r81 s THR 153 N 2.25 0.16 -2.62 0.64 -1.32 -0.65 -0.19 115.64 113.92 1r81 s THR 153 Ca 0.17 -1.36 0.24 0.00 -1.21 0.00 0.00 61.69 59.53 1r81 s THR 153 Cb -0.16 -1.39 0.36 0.00 -1.51 0.00 0.00 72.50 69.81 1r81 s THR 153 CO 0.12 -0.75 1.38 -0.90 -2.21 0.00 0.00 174.62 172.26 1r81 n ASP 154 N -0.01 3.20 -3.22 8.08 5.75 -1.25 -0.35 116.55 128.75 1r81 n ASP 154 Ca -0.15 -1.97 -0.24 0.00 -0.01 0.00 0.00 54.79 52.42 1r81 n ASP 154 Cb 0.62 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.48 1r81 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r81 n GLN 155 N 1.37 1.16 -0.28 0.11 6.02 -1.26 -4.92 117.38 119.57 1r81 n GLN 155 Ca 0.18 -3.56 0.09 0.00 -0.01 0.00 0.00 57.00 53.70 1r81 n GLN 155 Cb 0.59 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.59 1r81 n GLN 155 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1r81 h PRO 156 N 3.86 0.41 0.00 -1.09 0.11 -1.95 0.05 132.00 133.39 1r81 h PRO 156 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1r81 h PRO 156 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1r81 h PRO 156 CO 0.55 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1r81 n ALA 157 N -2.53 1.52 1.05 -0.75 0.00 -1.26 -2.41 120.51 116.13 1r81 n ALA 157 Ca 0.18 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1r81 n ALA 157 Cb 0.52 -1.36 0.29 0.00 0.00 0.00 0.00 19.45 18.90 1r81 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r81 n ALA 158 N -1.76 3.42 -1.97 0.00 0.00 0.00 -4.88 120.51 115.32 1r81 n ALA 158 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1r81 n ALA 158 Cb 0.18 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1r81 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1r81 s VAL 159 N -2.89 3.20 0.54 0.00 1.01 -1.01 -4.95 120.40 116.30 1r81 s VAL 159 Ca 0.14 0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 1r81 s VAL 159 Cb 0.18 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1r81 s VAL 159 CO 0.66 -0.01 1.22 -2.16 0.00 0.00 0.00 175.10 174.81 1r81 s PRO 160 N 2.86 3.25 -0.85 2.72 0.04 -1.26 -4.94 135.00 136.82 1r81 s PRO 160 Ca 0.73 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 1r81 s PRO 160 Cb -0.38 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1r81 s PRO 160 CO 0.31 -0.99 1.26 0.50 0.04 0.00 0.00 177.00 178.12 1r81 s ARG 161 N -3.07 3.37 -0.15 4.56 6.06 -1.26 -4.99 118.95 123.47 1r81 s ARG 161 Ca 0.72 -0.84 -0.08 0.00 -2.50 0.00 0.00 55.73 53.03 1r81 s ARG 161 Cb -0.31 -4.69 -0.04 0.00 0.06 0.00 0.00 34.95 29.96 1r81 s ARG 161 CO 0.36 -2.06 0.13 0.08 -2.50 0.00 0.00 175.30 171.30 1r81 s VAL 162 N 4.79 5.38 -0.05 7.11 1.01 -1.26 -5.07 120.40 132.31 1r81 s VAL 162 Ca 0.36 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1r81 s VAL 162 Cb -0.06 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1r81 s VAL 162 CO 0.02 0.55 1.02 -0.89 0.00 0.00 0.00 175.10 175.81 1r81 s THR 163 N -0.47 4.74 0.06 3.92 2.01 -1.26 -5.04 115.64 119.60 1r81 s THR 163 Ca 0.12 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.15 1r81 s THR 163 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1r81 s THR 163 CO 0.02 0.07 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.23 1r81 s LEU 164 N 1.61 3.36 0.90 4.42 1.43 -1.26 -5.00 118.68 124.13 1r81 s LEU 164 Ca 0.51 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1r81 s LEU 164 Cb -0.20 -2.04 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1r81 s LEU 164 CO 0.23 0.21 1.11 -0.83 0.23 0.00 0.00 176.35 177.30 1r81 s GLY 165 N -2.00 1.59 0.53 -3.19 0.00 -1.26 -4.96 107.32 98.04 1r81 s GLY 165 Ca 0.22 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.42 1r81 s GLY 165 CO 0.14 0.22 1.32 -1.08 0.00 0.00 0.00 173.10 173.70 1r81 s THR 166 N -3.10 2.28 -0.01 0.90 -1.32 -1.26 -2.86 115.64 110.27 1r81 s THR 166 Ca 0.63 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 61.32 1r81 s THR 166 Cb -0.16 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.72 1r81 s THR 166 CO 0.55 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1r81 n GLY 167 N 0.67 0.47 3.18 6.08 0.00 -1.26 -4.97 105.19 109.36 1r81 n GLY 167 Ca 0.10 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1r81 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r81 s ARG 168 N -0.28 1.59 0.07 1.61 0.52 -1.13 -2.61 118.95 118.71 1r81 s ARG 168 Ca 0.00 -0.67 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1r81 s ARG 168 Cb 0.00 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 1r81 s ARG 168 CO 0.00 0.38 -0.03 1.14 0.02 0.00 0.00 175.30 176.81 1r81 s GLN 169 N -0.36 0.68 -0.04 3.54 -2.07 -0.38 -4.81 119.66 116.22 1r81 s GLN 169 Ca 0.05 -1.26 0.02 0.00 -1.82 0.00 0.00 55.36 52.35 1r81 s GLN 169 Cb -0.08 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 31.99 1r81 s GLN 169 CO -0.00 -0.11 -0.08 -1.17 -1.32 0.00 0.00 175.29 172.61 1r81 s LEU 170 N -2.96 1.61 -0.11 2.60 0.20 -1.26 -0.09 118.68 118.67 1r81 s LEU 170 Ca 0.09 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.74 1r81 s LEU 170 Cb 0.07 -0.57 -0.01 0.00 -0.43 0.00 0.00 46.19 45.25 1r81 s LEU 170 CO -0.08 0.02 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.39 1r81 s SER 171 N 0.52 3.71 -0.25 3.68 0.01 0.38 -4.95 113.70 116.80 1r81 s SER 171 Ca -0.08 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 1r81 s SER 171 Cb -0.12 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1r81 s SER 171 CO 0.01 0.18 0.12 -0.69 0.41 0.00 0.00 173.24 173.27 1r81 s VAL 172 N 0.24 4.86 -0.24 3.43 1.01 -1.26 -0.99 120.40 127.45 1r81 s VAL 172 Ca -0.11 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1r81 s VAL 172 Cb -0.16 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1r81 s VAL 172 CO 0.06 0.33 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 1r81 s LEU 173 N 1.41 3.02 0.19 3.92 2.01 0.23 -4.97 118.68 124.49 1r81 s LEU 173 Ca 0.06 -0.80 -0.30 0.00 0.01 0.00 0.00 54.13 53.10 1r81 s LEU 173 Cb -0.15 -1.64 -0.08 0.00 0.01 0.00 0.00 46.19 44.33 1r81 s LEU 173 CO 0.06 -0.10 1.18 -0.70 1.01 0.00 0.00 176.35 177.80 1r81 s GLU 174 N 1.33 4.51 0.30 1.70 2.12 -1.26 -1.63 118.70 125.77 1r81 s GLU 174 Ca 0.01 1.86 0.11 0.00 0.36 0.00 0.00 54.97 57.30 1r81 s GLU 174 Cb -0.16 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1r81 s GLU 174 CO -0.05 -0.06 -0.11 0.14 -0.54 0.00 0.00 175.26 174.64 1r81 s VAL 175 N -0.12 2.65 0.00 3.70 -7.23 0.53 -4.55 120.40 115.38 1r81 s VAL 175 Ca 0.52 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1r81 s VAL 175 Cb -0.32 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1r81 s VAL 175 CO 0.37 -0.32 0.00 -1.14 -0.31 0.00 0.00 175.10 173.69 1r81 n ARG 176 N -0.76 0.00 0.00 4.82 3.00 -1.26 -4.50 116.66 117.96 1r81 n ARG 176 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1r81 n ARG 176 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1r81 n ARG 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r81 n ALA 177 N 0.00 0.00 -1.36 5.13 0.00 -1.26 -5.25 120.51 117.76 1r81 n ALA 177 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1r81 n ALA 177 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1r81 n ALA 177 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1r81 n TYR 178 N 0.00 -1.35 -4.74 0.00 4.11 -1.26 -5.11 117.16 108.81 1r81 n TYR 178 Ca 0.00 0.41 -0.32 0.00 -0.00 0.00 0.00 57.90 57.98 1r81 n TYR 178 Cb 0.00 -1.87 -0.12 0.00 -0.00 0.00 0.00 39.34 37.35 1r81 n TYR 178 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1r81 h GLU 197 N 5.06 0.00 0.00 0.00 3.07 -2.06 -0.23 114.58 120.41 1r81 h GLU 197 Ca -0.47 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.34 1r81 h GLU 197 Cb 1.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1r81 h GLU 197 CO 0.51 0.00 -0.22 0.00 -1.40 0.00 0.00 179.01 177.90 1r81 h ARG 198 N 0.00 0.00 -0.57 2.33 -0.00 -2.04 -2.69 114.38 111.41 1r81 h ARG 198 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1r81 h ARG 198 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.21 1r81 h ARG 198 CO 0.00 0.22 0.37 -0.09 0.00 0.00 0.00 179.97 180.47 1r81 h ARG 199 N 0.00 0.76 -0.83 0.04 2.43 -1.47 -2.54 114.38 112.77 1r81 h ARG 199 Ca -0.00 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1r81 h ARG 199 Cb 0.44 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1r81 h ARG 199 CO 0.03 0.52 0.50 0.74 -1.51 0.00 0.00 179.97 180.25 1r81 h PHE 200 N 0.78 0.91 0.00 2.20 0.05 -1.64 -1.23 116.94 118.02 1r81 h PHE 200 Ca 0.21 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 1r81 h PHE 200 Cb -0.07 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 37.59 1r81 h PHE 200 CO -0.03 0.43 -0.04 -0.07 -0.18 0.00 0.00 178.31 178.41 1r81 h LEU 201 N 0.88 0.00 0.00 1.54 3.38 -1.50 -1.83 115.31 117.78 1r81 h LEU 201 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1r81 h LEU 201 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1r81 h LEU 201 CO -0.20 0.04 -0.99 -1.54 0.09 0.00 0.00 178.44 175.84 1r81 n SER 202 N -4.01 0.87 -0.05 -0.43 3.41 -0.62 -4.60 113.62 108.19 1r81 n SER 202 Ca -0.03 -0.87 -0.03 0.00 -0.26 0.00 0.00 58.87 57.67 1r81 n SER 202 Cb 0.13 1.07 -0.11 0.00 -0.26 0.00 0.00 64.21 65.05 1r81 n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r81 n GLU 203 N -1.51 1.48 -4.19 4.33 1.02 -0.56 -5.05 120.64 116.16 1r81 n GLU 203 Ca 0.03 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1r81 n GLU 203 Cb 0.32 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1r81 n GLU 203 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1r81 s VAL 204 N -2.48 0.62 -0.18 2.62 -7.23 -0.72 -4.94 120.40 108.09 1r81 s VAL 204 Ca -0.06 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1r81 s VAL 204 Cb 0.05 -1.83 -0.22 0.00 0.56 0.00 0.00 36.38 34.94 1r81 s VAL 204 CO 0.57 -0.73 0.10 0.47 -0.31 0.00 0.00 175.10 175.20 1r81 n ASP 205 N -0.10 1.28 -4.19 4.85 8.00 -0.05 -4.65 116.55 121.69 1r81 n ASP 205 Ca -0.10 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 1r81 n ASP 205 Cb 0.62 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.56 1r81 n ASP 205 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r81 s TYR 206 N -2.53 1.21 -0.06 1.24 1.51 -1.11 -3.09 117.35 114.52 1r81 s TYR 206 Ca -0.21 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1r81 s TYR 206 Cb 0.08 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1r81 s TYR 206 CO 0.73 0.06 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.52 1r81 s LEU 207 N -2.17 1.97 -0.16 -1.29 1.43 0.18 -0.37 118.68 118.26 1r81 s LEU 207 Ca 0.03 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1r81 s LEU 207 Cb -0.06 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 45.00 1r81 s LEU 207 CO 0.02 0.18 -0.18 -0.69 0.23 0.00 0.00 176.35 175.90 1r81 s VAL 208 N 0.07 1.88 -0.26 -1.59 1.01 0.44 -1.48 120.40 120.47 1r81 s VAL 208 Ca -0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1r81 s VAL 208 Cb -0.14 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1r81 s VAL 208 CO 0.04 0.51 0.02 0.00 0.00 0.00 0.00 175.10 175.67 1r81 s VAL 210 N 1.46 0.62 0.32 0.00 -7.23 -1.00 -2.17 120.40 112.42 1r81 s VAL 210 Ca 0.03 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.00 1r81 s VAL 210 Cb -0.16 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1r81 s VAL 210 CO -0.00 -0.03 0.83 -1.81 -0.31 0.00 0.00 175.10 173.78 1r81 s ASP 211 N -3.32 7.01 0.14 4.85 -0.00 -0.91 -4.49 116.67 119.94 1r81 s ASP 211 Ca 0.37 1.54 0.13 0.00 -0.00 0.00 0.00 52.55 54.59 1r81 s ASP 211 Cb 0.08 -2.47 -0.10 0.00 -0.00 0.00 0.00 42.92 40.42 1r81 s ASP 211 CO 0.13 -0.15 1.14 1.62 -0.00 0.00 0.00 175.17 177.91 1r81 h VAL 212 N 2.29 1.01 -0.21 -1.27 3.04 -1.94 -3.37 116.25 115.79 1r81 h VAL 212 Ca -0.48 -2.57 -0.67 0.00 -1.01 0.00 0.00 66.70 61.96 1r81 h VAL 212 Cb 1.18 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 1r81 h VAL 212 CO 0.64 0.58 3.53 -0.90 -1.01 0.00 0.00 177.57 180.41 1r81 n ASP 213 N -3.15 8.60 -3.89 3.17 3.85 -1.26 -4.69 116.55 119.17 1r81 n ASP 213 Ca -0.04 -2.67 -0.13 0.00 -0.71 0.00 0.00 54.79 51.23 1r81 n ASP 213 Cb 0.86 -1.52 -0.08 0.00 -1.35 0.00 0.00 41.12 39.03 1r81 n ASP 213 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1r81 s MET 214 N 1.54 1.45 -0.07 0.11 -1.94 -1.26 -2.74 119.30 116.40 1r81 s MET 214 Ca 0.67 -1.65 -0.14 0.00 -1.71 0.00 0.00 55.69 52.87 1r81 s MET 214 Cb 0.18 0.34 0.03 0.00 2.01 0.00 0.00 34.83 37.39 1r81 s MET 214 CO -0.07 -0.53 0.33 -1.83 -0.01 0.00 0.00 175.02 172.91 1r81 s GLU 215 N -3.87 0.55 0.04 2.03 -1.05 -0.19 -4.15 118.70 112.06 1r81 s GLU 215 Ca 0.35 0.11 -0.22 0.00 -0.15 0.00 0.00 54.97 55.06 1r81 s GLU 215 Cb 0.04 0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1r81 s GLU 215 CO 0.15 -0.12 0.67 -0.06 0.95 0.00 0.00 175.26 176.85 1r81 s PHE 216 N -0.65 3.74 0.00 4.83 0.40 -1.26 -1.18 117.98 123.86 1r81 s PHE 216 Ca -0.07 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 1r81 s PHE 216 Cb -0.04 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1r81 s PHE 216 CO 0.03 0.36 0.00 0.54 0.70 0.00 0.00 175.22 176.85 1r81 n ARG 217 N 2.54 5.62 -3.87 0.44 1.74 0.99 -4.83 116.66 119.29 1r81 n ARG 217 Ca -0.06 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 1r81 n ARG 217 Cb 0.50 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1r81 n ARG 217 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1r81 s ASP 218 N -1.10 0.08 0.01 0.55 -1.08 -1.01 -4.90 116.67 109.22 1r81 s ASP 218 Ca 0.00 -1.08 -0.37 0.00 -0.52 0.00 0.00 52.55 50.58 1r81 s ASP 218 Cb 0.00 0.78 -0.16 0.00 -1.46 0.00 0.00 42.92 42.08 1r81 s ASP 218 CO 0.00 -1.53 1.43 1.57 0.52 0.00 0.00 175.17 177.16 1r81 n HIS 219 N -0.51 1.65 -3.62 -5.34 -0.00 -1.26 -4.75 115.22 101.38 1r81 n HIS 219 Ca -0.06 0.60 -0.29 0.00 -0.00 0.00 0.00 57.72 57.97 1r81 n HIS 219 Cb 0.60 -2.37 -0.15 0.00 -0.00 0.00 0.00 29.99 28.07 1r81 n HIS 219 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1r81 s VAL 220 N 1.14 0.30 0.00 3.57 1.01 -0.45 -4.85 120.40 121.12 1r81 s VAL 220 Ca 0.87 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1r81 s VAL 220 Cb -0.97 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1r81 s VAL 220 CO 0.50 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1r81 n GLY 221 N 5.10 6.94 0.00 4.51 0.00 -1.26 -0.96 105.19 119.51 1r81 n GLY 221 Ca -0.05 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.15 1r81 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r81 n VAL 222 N 0.00 1.72 0.32 1.61 0.24 -1.26 -2.18 118.33 118.79 1r81 n VAL 222 Ca 0.00 0.43 0.21 0.00 -2.04 0.00 0.00 64.34 62.94 1r81 n VAL 222 Cb 0.00 -1.38 1.09 0.00 -1.47 0.00 0.00 33.84 32.08 1r81 n VAL 222 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1r81 h GLU 223 N 0.00 0.00 0.00 7.34 9.09 -1.95 -1.85 114.58 127.21 1r81 h GLU 223 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r81 h GLU 223 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1r81 h GLU 223 CO 0.00 0.01 -0.62 -0.84 0.05 0.00 0.00 179.01 177.61 1r81 h ILE 224 N 0.00 0.00 -3.19 -1.06 3.07 -1.86 -3.47 117.51 111.00 1r81 h ILE 224 Ca -0.00 -0.76 -0.53 0.00 1.55 0.00 0.00 64.86 65.13 1r81 h ILE 224 Cb 0.09 1.41 0.04 0.00 -0.27 0.00 0.00 36.82 38.09 1r81 h ILE 224 CO 0.00 0.00 0.73 -0.76 -1.05 0.00 0.00 178.15 177.07 1r81 s LEU 225 N -4.99 4.39 -0.00 0.16 1.43 -0.70 -4.88 118.68 114.09 1r81 s LEU 225 Ca 0.04 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 1r81 s LEU 225 Cb 0.11 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.83 1r81 s LEU 225 CO 0.73 -0.65 1.24 0.28 0.23 0.00 0.00 176.35 178.18 1r81 s THR 226 N 0.51 0.00 0.25 5.49 -1.32 -1.26 -5.05 115.64 114.26 1r81 s THR 226 Ca 0.61 -0.27 -0.04 0.00 -1.21 0.00 0.00 61.69 60.79 1r81 s THR 226 Cb -0.39 -1.94 0.23 0.00 -1.51 0.00 0.00 72.50 68.88 1r81 s THR 226 CO 0.36 0.00 1.83 -0.65 -2.21 0.00 0.00 174.62 173.95 1r81 h PRO 227 N 2.00 0.85 -2.62 7.08 0.11 -1.93 -3.17 132.00 134.33 1r81 h PRO 227 Ca -0.29 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 1r81 h PRO 227 Cb 1.21 -0.19 -0.27 0.00 0.11 0.00 0.00 31.00 31.85 1r81 h PRO 227 CO 0.28 0.57 -0.35 -1.17 -0.21 0.00 0.00 178.00 177.12 1r81 s LEU 228 N -10.25 -0.31 0.04 2.35 2.96 -1.26 -0.73 118.68 111.49 1r81 s LEU 228 Ca -0.12 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1r81 s LEU 228 Cb 0.20 1.28 -0.02 0.00 0.50 0.00 0.00 46.19 48.15 1r81 s LEU 228 CO 0.79 -0.21 -0.08 0.72 -1.32 0.00 0.00 176.35 176.25 1r81 s PHE 229 N 1.94 0.71 0.27 5.38 -0.12 -0.23 0.51 117.98 126.44 1r81 s PHE 229 Ca -0.06 -0.45 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 1r81 s PHE 229 Cb -0.10 -0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 41.81 1r81 s PHE 229 CO -0.12 -0.06 -0.06 0.20 -0.05 0.00 0.00 175.22 175.12 1r81 s GLY 230 N -1.42 1.75 -0.05 1.99 0.00 -1.17 -2.40 107.32 106.02 1r81 s GLY 230 Ca -0.08 -1.86 0.06 0.00 0.00 0.00 0.00 44.72 42.85 1r81 s GLY 230 CO 0.01 -1.81 -0.25 -1.59 0.00 0.00 0.00 173.10 169.46 1r81 s THR 231 N -3.04 1.99 -0.00 0.90 2.01 -1.23 -0.61 115.64 115.67 1r81 s THR 231 Ca 0.28 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1r81 s THR 231 Cb 0.03 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 1r81 s THR 231 CO 0.11 0.56 1.48 -0.76 -0.69 0.00 0.00 174.62 175.32 1r81 s LEU 232 N -0.25 4.32 0.18 4.42 1.43 -0.29 -1.67 118.68 126.83 1r81 s LEU 232 Ca -0.01 2.18 -0.32 0.00 -1.03 0.00 0.00 54.13 54.96 1r81 s LEU 232 Cb -0.13 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 1r81 s LEU 232 CO 0.02 -0.79 1.73 1.57 0.23 0.00 0.00 176.35 179.12 1r81 n HIS 233 N 5.73 2.66 0.32 0.29 -0.00 -0.15 -4.18 115.22 119.89 1r81 n HIS 233 Ca 0.14 0.03 0.21 0.00 -0.00 0.00 0.00 57.72 58.11 1r81 n HIS 233 Cb 0.43 -2.67 1.10 0.00 -0.00 0.00 0.00 29.99 28.85 1r81 n HIS 233 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1r81 h PRO 234 N 7.02 0.00 -0.12 1.57 0.13 -1.91 -2.52 132.00 136.17 1r81 h PRO 234 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1r81 h PRO 234 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r81 h PRO 234 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1r81 n GLY 235 N -0.98 1.06 0.00 1.56 0.00 -1.26 -4.49 105.19 101.08 1r81 n GLY 235 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1r81 n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1r81 n PHE 236 N 1.29 0.00 0.32 1.61 3.01 -1.01 -4.84 117.46 117.84 1r81 n PHE 236 Ca 0.14 -0.05 0.19 0.00 1.01 0.00 0.00 57.45 58.74 1r81 n PHE 236 Cb 0.56 -0.01 1.07 0.00 -0.01 0.00 0.00 39.48 41.10 1r81 n PHE 236 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1r81 h TYR 237 N 0.00 0.00 -0.38 1.38 -0.00 -1.69 -1.26 116.97 115.03 1r81 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1r81 h TYR 237 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 1r81 h TYR 237 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1r81 n GLY 238 N -1.20 2.93 3.92 0.10 0.00 -1.26 -5.01 105.19 104.66 1r81 n GLY 238 Ca -0.03 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1r81 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r81 s SER 239 N -1.13 6.34 0.46 1.61 0.01 -0.48 -5.09 113.70 115.43 1r81 s SER 239 Ca 0.29 0.65 -0.13 0.00 1.31 0.00 0.00 55.95 58.07 1r81 s SER 239 Cb 0.17 -2.12 -0.07 0.00 0.21 0.00 0.00 66.02 64.21 1r81 s SER 239 CO 0.16 -0.32 0.86 -0.94 0.41 0.00 0.00 173.24 173.42 1r81 s SER 240 N -3.74 6.55 0.36 2.44 1.04 -1.26 -4.96 113.70 114.13 1r81 s SER 240 Ca 0.43 1.32 0.10 0.00 0.48 0.00 0.00 55.95 58.28 1r81 s SER 240 Cb -0.10 -2.40 0.85 0.00 0.10 0.00 0.00 66.02 64.47 1r81 s SER 240 CO 0.36 -0.49 1.84 0.08 0.98 0.00 0.00 173.24 176.01 1r81 h ARG 241 N 1.07 0.63 -0.15 4.02 0.11 -1.91 -0.35 114.38 117.80 1r81 h ARG 241 Ca -0.47 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 59.62 1r81 h ARG 241 Cb 1.19 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 1r81 h ARG 241 CO 0.63 0.42 0.12 0.93 0.10 0.00 0.00 179.97 182.17 1r81 h GLU 242 N 0.65 0.00 0.00 0.08 3.07 -1.92 -1.07 114.58 115.40 1r81 h GLU 242 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1r81 h GLU 242 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1r81 h GLU 242 CO -0.24 0.00 -0.38 0.00 -1.40 0.00 0.00 179.01 176.99 1r81 n ALA 243 N -2.52 2.73 -1.75 3.43 0.00 -0.15 -4.89 120.51 117.36 1r81 n ALA 243 Ca 0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1r81 n ALA 243 Cb 0.24 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1r81 n ALA 243 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r81 n PHE 244 N -2.08 2.77 -1.15 0.00 0.99 -0.41 -4.87 117.46 112.73 1r81 n PHE 244 Ca 0.04 0.44 -0.18 0.00 -0.00 0.00 0.00 57.45 57.75 1r81 n PHE 244 Cb 0.42 -2.51 -0.07 0.00 -1.00 0.00 0.00 39.48 36.32 1r81 n PHE 244 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1r81 n THR 245 N 0.73 3.01 -1.03 4.37 -2.24 -1.26 -4.94 114.28 112.92 1r81 n THR 245 Ca 0.04 -2.07 -0.29 0.00 -2.27 0.00 0.00 64.05 59.46 1r81 n THR 245 Cb 0.38 -1.67 0.19 0.00 -2.10 0.00 0.00 70.33 67.13 1r81 n THR 245 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r81 s TYR 246 N -0.73 1.94 -0.04 4.78 4.12 -1.26 -4.79 117.35 121.38 1r81 s TYR 246 Ca 0.51 1.05 -0.30 0.00 0.02 0.00 0.00 57.07 58.35 1r81 s TYR 246 Cb 0.31 -3.22 -0.03 0.00 -1.52 0.00 0.00 41.96 37.49 1r81 s TYR 246 CO -0.10 -3.09 1.14 -2.00 0.02 0.00 0.00 175.55 171.52 1r81 s GLU 247 N -4.85 4.40 0.00 -0.62 2.56 -1.26 -4.91 118.70 114.01 1r81 s GLU 247 Ca 0.66 1.61 0.18 0.00 0.00 0.00 0.00 54.97 57.42 1r81 s GLU 247 Cb -0.20 -3.51 0.08 0.00 2.00 0.00 0.00 34.13 32.50 1r81 s GLU 247 CO 0.59 -0.35 1.01 0.54 -0.56 0.00 0.00 175.26 176.49 1r81 n ARG 248 N 4.84 1.59 -3.02 4.30 5.12 -1.26 -1.60 116.66 126.63 1r81 n ARG 248 Ca 0.10 -1.28 -0.41 0.00 -1.93 0.00 0.00 57.85 54.33 1r81 n ARG 248 Cb 0.47 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.37 1r81 n ARG 248 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1r81 s ARG 249 N -1.78 4.11 0.66 5.56 0.52 -1.26 -4.87 118.95 121.89 1r81 s ARG 249 Ca 0.19 0.67 0.38 0.00 -0.52 0.00 0.00 55.73 56.45 1r81 s ARG 249 Cb 0.15 -3.66 2.06 0.00 0.52 0.00 0.00 34.95 34.02 1r81 s ARG 249 CO 0.33 -0.49 2.17 -1.35 0.02 0.00 0.00 175.30 175.98 1r81 h PRO 250 N 7.86 0.00 0.00 3.54 0.11 -1.97 -0.89 132.00 140.66 1r81 h PRO 250 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1r81 h PRO 250 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1r81 h PRO 250 CO 0.82 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 1r81 n GLN 251 N -3.04 0.21 -3.71 1.05 3.00 -1.26 -4.77 117.38 108.87 1r81 n GLN 251 Ca -0.02 0.34 -0.36 0.00 -0.01 0.00 0.00 57.00 56.95 1r81 n GLN 251 Cb 0.21 -1.83 -0.06 0.00 0.00 0.00 0.00 30.24 28.57 1r81 n GLN 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1r81 s SER 252 N -4.29 6.55 0.59 1.08 0.15 -0.34 -4.96 113.70 112.48 1r81 s SER 252 Ca 0.07 0.64 0.37 0.00 0.70 0.00 0.00 55.95 57.73 1r81 s SER 252 Cb 0.11 -2.13 1.68 0.00 -1.71 0.00 0.00 66.02 63.97 1r81 s SER 252 CO 0.46 0.28 2.10 1.56 1.20 0.00 0.00 173.24 178.84 1r81 h GLN 253 N 4.24 0.00 -0.10 5.44 1.08 -1.86 -1.82 115.11 122.09 1r81 h GLN 253 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1r81 h GLN 253 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1r81 h GLN 253 CO 0.64 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.52 1r81 n ALA 254 N -2.09 2.55 -1.65 3.87 0.00 -1.26 -4.95 120.51 116.99 1r81 n ALA 254 Ca -0.00 -0.43 -0.48 0.00 0.00 0.00 0.00 53.44 52.53 1r81 n ALA 254 Cb 0.24 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1r81 n ALA 254 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1r81 n TYR 255 N 0.05 2.05 -3.69 0.00 9.36 -0.69 -4.24 117.16 120.00 1r81 n TYR 255 Ca 0.17 0.37 -0.24 0.00 3.32 0.00 0.00 57.90 61.52 1r81 n TYR 255 Cb 0.28 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.34 1r81 n TYR 255 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r81 s ILE 256 N 0.93 0.14 0.86 2.97 1.01 -0.63 -5.00 121.20 121.49 1r81 s ILE 256 Ca 0.81 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 1r81 s ILE 256 Cb -0.77 -0.53 0.11 0.00 0.01 0.00 0.00 42.46 41.29 1r81 s ILE 256 CO 0.41 0.00 1.12 -2.16 0.00 0.00 0.00 174.94 174.32 1r81 s PRO 257 N 2.05 1.47 0.63 2.79 0.04 -1.26 -4.64 135.00 136.07 1r81 s PRO 257 Ca 0.03 1.35 0.35 0.00 0.04 0.00 0.00 61.00 62.78 1r81 s PRO 257 Cb -0.14 -1.79 2.02 0.00 0.04 0.00 0.00 34.50 34.63 1r81 s PRO 257 CO -0.06 -2.25 2.25 0.87 0.04 0.00 0.00 177.00 177.85 1r81 h LYS 258 N -1.58 0.00 -0.54 4.56 1.79 -1.96 -1.99 116.57 116.85 1r81 h LYS 258 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1r81 h LYS 258 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1r81 h LYS 258 CO 0.46 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.43 1r81 n ASP 259 N -3.46 3.17 -4.47 0.86 5.75 -1.26 -4.25 116.55 112.88 1r81 n ASP 259 Ca -0.02 -1.98 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 1r81 n ASP 259 Cb 0.14 -0.36 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 1r81 n ASP 259 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1r81 s GLU 260 N -1.29 1.68 0.00 0.11 2.02 -0.75 -5.10 118.70 115.37 1r81 s GLU 260 Ca 0.40 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1r81 s GLU 260 Cb 0.21 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.68 1r81 s GLU 260 CO 0.28 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1r81 n GLY 261 N -0.63 3.76 0.10 -1.39 0.00 -1.26 -4.80 105.19 100.97 1r81 n GLY 261 Ca -0.05 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 1r81 n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r81 n ASP 262 N 0.00 1.94 -4.10 1.61 8.00 -1.26 -4.92 116.55 117.82 1r81 n ASP 262 Ca 0.00 0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 1r81 n ASP 262 Cb 0.00 -0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 40.24 1r81 n ASP 262 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1r81 s PHE 263 N -2.74 0.96 -0.38 1.24 0.40 -1.26 -4.97 117.98 111.24 1r81 s PHE 263 Ca -0.31 -1.21 -0.08 0.00 -0.60 0.00 0.00 56.93 54.73 1r81 s PHE 263 Cb 0.07 -0.35 0.06 0.00 0.51 0.00 0.00 43.02 43.31 1r81 s PHE 263 CO 0.44 -0.76 0.18 -0.47 0.70 0.00 0.00 175.22 175.32 1r81 s TYR 264 N -4.07 3.30 0.21 0.36 5.04 -1.26 -5.05 117.35 115.88 1r81 s TYR 264 Ca 0.34 -1.46 -0.14 0.00 -2.44 0.00 0.00 57.07 53.37 1r81 s TYR 264 Cb 0.05 -2.61 -0.08 0.00 0.35 0.00 0.00 41.96 39.67 1r81 s TYR 264 CO 0.12 -0.78 0.60 0.71 -1.34 0.00 0.00 175.55 174.87 1r81 s TYR 265 N 1.41 3.53 -0.01 4.97 1.51 -1.26 -0.98 117.35 126.52 1r81 s TYR 265 Ca 0.01 1.08 -0.07 0.00 -1.01 0.00 0.00 57.07 57.09 1r81 s TYR 265 Cb -0.21 -2.40 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 1r81 s TYR 265 CO 0.03 0.32 0.25 -0.48 -1.11 0.00 0.00 175.55 174.55 1r81 s LEU 266 N -2.36 4.38 0.10 -1.29 2.34 -0.67 -4.76 118.68 116.43 1r81 s LEU 266 Ca 0.44 0.55 0.19 0.00 0.06 0.00 0.00 54.13 55.36 1r81 s LEU 266 Cb -0.13 -2.57 0.78 0.00 -0.56 0.00 0.00 46.19 43.71 1r81 s LEU 266 CO 0.20 0.28 1.58 0.61 -1.06 0.00 0.00 176.35 177.96 1r81 n GLY 267 N 1.28 -1.14 0.07 -3.48 0.00 -1.26 -3.59 105.19 97.07 1r81 n GLY 267 Ca -0.13 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.05 1r81 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r81 n GLY 268 N 0.09 -0.87 3.16 -0.02 0.00 -1.26 -4.66 105.19 101.63 1r81 n GLY 268 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.85 1r81 n GLY 268 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r81 s PHE 269 N -2.05 -1.83 0.20 1.61 5.99 -1.24 -2.15 117.98 118.51 1r81 s PHE 269 Ca 0.45 0.96 -0.09 0.00 0.00 0.00 0.00 56.93 58.25 1r81 s PHE 269 Cb 0.22 0.32 -0.01 0.00 0.00 0.00 0.00 43.02 43.54 1r81 s PHE 269 CO 0.37 -1.09 0.32 -0.59 -0.00 0.00 0.00 175.22 174.24 1r81 s PHE 270 N 2.69 0.53 -0.64 10.12 -0.12 -0.92 -3.47 117.98 126.17 1r81 s PHE 270 Ca 0.11 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.12 1r81 s PHE 270 Cb -0.09 -0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 1r81 s PHE 270 CO -0.23 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 174.54 1r81 n GLY 271 N -0.29 -0.74 0.00 1.99 0.00 -1.01 -0.52 105.19 104.63 1r81 n GLY 271 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1r81 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r81 n GLY 272 N 0.00 0.34 3.75 -0.02 0.00 -0.55 -1.06 105.19 107.65 1r81 n GLY 272 Ca 0.00 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1r81 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r81 s SER 273 N -4.00 4.38 0.21 1.61 1.04 0.10 -0.64 113.70 116.39 1r81 s SER 273 Ca 0.00 1.96 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 1r81 s SER 273 Cb 0.00 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.79 1r81 s SER 273 CO 0.00 -2.12 1.82 0.58 0.98 0.00 0.00 173.24 174.51 1r81 h VAL 274 N -0.91 1.03 -0.19 5.02 2.07 -1.86 -0.95 116.25 120.45 1r81 h VAL 274 Ca -0.44 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1r81 h VAL 274 Cb 1.24 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1r81 h VAL 274 CO 0.50 0.14 0.00 -0.61 0.02 0.00 0.00 177.57 177.62 1r81 h GLN 275 N 0.75 0.06 -0.32 1.57 4.15 -1.91 -0.57 115.11 118.85 1r81 h GLN 275 Ca 0.29 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.58 1r81 h GLN 275 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1r81 h GLN 275 CO -0.14 0.04 -0.29 0.93 -1.93 0.00 0.00 178.83 177.44 1r81 h GLU 276 N 0.07 0.66 -0.45 1.69 4.39 -1.73 -1.73 114.58 117.48 1r81 h GLU 276 Ca 0.09 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 1r81 h GLU 276 Cb 0.11 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1r81 h GLU 276 CO -0.15 0.88 -0.16 0.28 -1.16 0.00 0.00 179.01 178.70 1r81 h VAL 277 N 0.57 1.27 -0.12 3.13 2.07 -0.96 -1.47 116.25 120.74 1r81 h VAL 277 Ca 0.07 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1r81 h VAL 277 Cb 0.78 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1r81 h VAL 277 CO 0.06 0.44 -0.46 1.56 0.02 0.00 0.00 177.57 179.19 1r81 h GLN 278 N 0.76 0.28 -0.58 1.57 4.20 -0.94 -1.44 115.11 118.97 1r81 h GLN 278 Ca 0.12 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1r81 h GLN 278 Cb 0.68 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1r81 h GLN 278 CO 0.05 0.69 0.01 0.00 -0.67 0.00 0.00 178.83 178.90 1r81 h ARG 279 N 0.23 1.01 -0.01 1.46 3.08 -1.00 -0.87 114.38 118.28 1r81 h ARG 279 Ca 0.02 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1r81 h ARG 279 Cb 0.90 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1r81 h ARG 279 CO 0.07 1.00 0.00 1.25 -1.07 0.00 0.00 179.97 181.23 1r81 h LEU 280 N 0.90 0.02 -1.28 3.04 6.46 -1.01 -1.21 115.31 122.23 1r81 h LEU 280 Ca 0.16 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 1r81 h LEU 280 Cb 0.54 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1r81 h LEU 280 CO 0.03 0.32 -0.21 0.71 -0.62 0.00 0.00 178.44 178.67 1r81 h THR 281 N -0.27 1.21 -0.32 1.05 1.35 -1.24 0.64 112.91 115.34 1r81 h THR 281 Ca 0.00 -0.99 -0.17 0.00 -0.55 0.00 0.00 66.41 64.71 1r81 h THR 281 Cb 0.31 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1r81 h THR 281 CO 0.00 0.30 -0.47 -0.09 -0.25 0.00 0.00 175.52 175.01 1r81 h ARG 282 N 0.20 0.85 -0.39 4.72 2.43 -1.08 -0.72 114.38 120.39 1r81 h ARG 282 Ca 0.04 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 1r81 h ARG 282 Cb 0.50 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1r81 h ARG 282 CO 0.03 1.13 -0.22 0.00 -1.51 0.00 0.00 179.97 179.40 1r81 h ALA 283 N 0.78 0.56 -0.40 2.80 0.00 -0.74 -2.17 119.26 120.09 1r81 h ALA 283 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1r81 h ALA 283 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1r81 h ALA 283 CO 0.11 0.53 0.17 0.00 0.00 0.00 0.00 179.25 180.06 1r81 h HIS 285 N 0.50 0.44 -0.46 0.00 6.17 -1.04 -0.95 115.15 119.81 1r81 h HIS 285 Ca 0.13 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 1r81 h HIS 285 Cb 0.16 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.95 1r81 h HIS 285 CO -0.00 0.22 0.09 1.96 0.71 0.00 0.00 177.93 180.91 1r81 h GLN 286 N 0.47 0.74 -0.64 5.26 4.20 -1.23 -2.05 115.11 121.85 1r81 h GLN 286 Ca 0.20 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1r81 h GLN 286 Cb 0.10 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1r81 h GLN 286 CO -0.13 0.75 0.24 0.00 -0.67 0.00 0.00 178.83 179.02 1r81 h ALA 287 N 0.96 1.22 -0.10 3.87 0.00 -0.99 -1.91 119.26 122.32 1r81 h ALA 287 Ca 0.14 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1r81 h ALA 287 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r81 h ALA 287 CO 0.00 0.57 -0.51 0.52 0.00 0.00 0.00 179.25 179.83 1r81 h MET 288 N 0.93 0.26 -0.32 0.00 2.86 -1.02 -2.00 114.93 115.64 1r81 h MET 288 Ca 0.22 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1r81 h MET 288 Cb 0.20 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1r81 h MET 288 CO -0.02 0.72 -0.32 0.52 1.06 0.00 0.00 176.91 178.87 1r81 h MET 289 N 0.21 0.69 -0.40 1.72 2.07 -0.94 -0.81 114.93 117.47 1r81 h MET 289 Ca 0.01 -0.32 -0.07 0.00 -2.07 0.00 0.00 59.70 57.25 1r81 h MET 289 Cb 0.98 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.68 1r81 h MET 289 CO 0.08 0.92 -0.01 0.28 1.07 0.00 0.00 176.91 179.26 1r81 h VAL 290 N 0.59 1.26 -0.53 -2.22 2.07 -1.17 -1.57 116.25 114.68 1r81 h VAL 290 Ca 0.07 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1r81 h VAL 290 Cb 0.83 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1r81 h VAL 290 CO 0.07 0.35 0.24 0.44 0.02 0.00 0.00 177.57 178.69 1r81 h ASP 291 N 0.55 0.71 -0.63 0.57 5.19 -1.21 -1.80 116.42 119.80 1r81 h ASP 291 Ca 0.11 -0.15 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1r81 h ASP 291 Cb 0.49 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1r81 h ASP 291 CO 0.02 0.66 0.38 -0.61 -3.12 0.00 0.00 179.24 176.57 1r81 h GLN 292 N 0.71 0.72 -0.76 3.56 4.15 -0.98 0.30 115.11 122.81 1r81 h GLN 292 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1r81 h GLN 292 Cb 0.15 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1r81 h GLN 292 CO -0.02 0.48 0.36 0.00 -1.93 0.00 0.00 178.83 177.72 1r81 h ALA 293 N 1.28 1.21 -0.18 3.38 0.00 -1.00 -1.14 119.26 122.81 1r81 h ALA 293 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r81 h ALA 293 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1r81 h ALA 293 CO -0.11 0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.83 1r81 n ASN 294 N -4.32 1.51 -3.55 0.00 3.02 -0.70 -4.91 115.26 106.31 1r81 n ASN 294 Ca 0.07 -2.09 -0.20 0.00 -0.03 0.00 0.00 54.58 52.33 1r81 n ASN 294 Cb 0.14 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 1r81 n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r81 n GLY 295 N 0.57 -0.36 3.07 7.41 0.00 -0.43 -5.02 105.19 110.42 1r81 n GLY 295 Ca 0.07 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1r81 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r81 s ILE 296 N -3.45 0.05 -0.12 -0.61 2.07 0.01 -5.01 121.20 114.14 1r81 s ILE 296 Ca 0.09 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.93 1r81 s ILE 296 Cb -0.04 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.24 1r81 s ILE 296 CO 0.76 -0.22 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.75 1r81 s GLU 297 N -0.75 1.90 0.35 3.50 2.56 -1.26 -3.58 118.70 121.42 1r81 s GLU 297 Ca -0.08 -0.42 -0.27 0.00 0.00 0.00 0.00 54.97 54.19 1r81 s GLU 297 Cb -0.05 -1.77 -0.12 0.00 2.00 0.00 0.00 34.13 34.19 1r81 s GLU 297 CO 0.01 -0.18 1.22 0.00 -0.56 0.00 0.00 175.26 175.74 1r81 n ALA 298 N 4.61 0.96 -0.31 6.30 0.00 -1.26 -4.87 120.51 125.94 1r81 n ALA 298 Ca -0.16 0.34 0.17 0.00 0.00 0.00 0.00 53.44 53.79 1r81 n ALA 298 Cb 0.50 -2.20 0.35 0.00 0.00 0.00 0.00 19.45 18.11 1r81 n ALA 298 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1r81 h VAL 299 N 2.30 0.29 -0.12 0.00 3.04 -1.94 -0.75 116.25 119.07 1r81 h VAL 299 Ca -0.45 -0.08 -0.09 0.00 -1.01 0.00 0.00 66.70 65.07 1r81 h VAL 299 Cb 1.30 0.04 -0.08 0.00 -2.01 0.00 0.00 31.29 30.54 1r81 h VAL 299 CO 0.61 0.04 -0.56 0.79 -1.01 0.00 0.00 177.57 177.44 1r81 n TRP 300 N -5.19 0.46 0.00 3.17 7.02 -1.26 -5.06 117.44 116.58 1r81 n TRP 300 Ca 0.25 -1.60 0.00 0.00 -1.02 0.00 0.00 57.50 55.13 1r81 n TRP 300 Cb 0.80 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1r81 n TRP 300 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1r81 n HIS 301 N -1.02 0.00 -0.33 -5.99 8.25 -0.29 -1.93 115.22 113.90 1r81 n HIS 301 Ca 0.23 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.83 1r81 n HIS 301 Cb 0.74 0.00 0.33 0.00 1.12 0.00 0.00 29.99 32.19 1r81 n HIS 301 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1r81 h ASP 302 N 0.00 0.63 -0.46 0.41 3.32 -1.98 -0.69 116.42 117.64 1r81 h ASP 302 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1r81 h ASP 302 Cb 0.00 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1r81 h ASP 302 CO 0.00 0.15 0.14 -0.08 -1.72 0.00 0.00 179.24 177.73 1r81 h GLU 303 N 0.61 0.78 -0.55 3.56 4.81 -1.77 0.04 114.58 122.06 1r81 h GLU 303 Ca 0.59 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1r81 h GLU 303 Cb 1.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1r81 h GLU 303 CO -0.44 0.70 0.17 0.77 -0.73 0.00 0.00 179.01 179.48 1r81 h SER 304 N 0.76 0.81 -0.01 1.04 0.02 -1.10 -1.50 113.55 113.57 1r81 h SER 304 Ca 0.17 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 1r81 h SER 304 Cb 0.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1r81 h SER 304 CO -0.00 0.80 -0.45 0.45 -1.14 0.00 0.00 176.83 176.48 1r81 h HIS 305 N 0.77 0.66 -0.74 3.45 3.86 -1.23 -2.32 115.15 119.60 1r81 h HIS 305 Ca 0.18 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1r81 h HIS 305 Cb 0.28 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1r81 h HIS 305 CO 0.02 0.90 0.49 1.25 0.86 0.00 0.00 177.93 181.45 1r81 h LEU 306 N 0.44 0.84 -0.84 2.43 5.85 -0.71 -0.24 115.31 123.08 1r81 h LEU 306 Ca 0.03 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1r81 h LEU 306 Cb 0.96 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1r81 h LEU 306 CO 0.09 0.60 0.03 0.78 -0.34 0.00 0.00 178.44 179.60 1r81 h ASN 307 N 0.99 0.86 -0.51 1.25 2.35 -1.05 -1.21 115.58 118.27 1r81 h ASN 307 Ca 0.28 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1r81 h ASN 307 Cb -0.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1r81 h ASN 307 CO -0.07 0.90 0.06 0.50 -1.65 0.00 0.00 177.43 177.17 1r81 h LYS 308 N 0.84 0.85 -0.04 0.81 1.63 -0.87 -1.83 116.57 117.96 1r81 h LYS 308 Ca 0.16 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1r81 h LYS 308 Cb 0.45 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1r81 h LYS 308 CO 0.02 0.86 0.02 -0.92 -3.45 0.00 0.00 179.45 175.97 1r81 h TYR 309 N 0.73 0.05 0.00 1.91 3.20 -0.71 -2.60 116.97 119.54 1r81 h TYR 309 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1r81 h TYR 309 Cb 0.43 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1r81 h TYR 309 CO 0.03 0.13 0.00 -0.07 -1.64 0.00 0.00 178.16 176.61 1r81 h LEU 310 N -0.04 0.00 -0.08 2.82 3.38 -1.19 0.26 115.31 120.47 1r81 h LEU 310 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1r81 h LEU 310 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1r81 h LEU 310 CO -0.00 0.00 -0.54 0.25 0.09 0.00 0.00 178.44 178.23 1r81 h LEU 311 N 0.00 0.61 0.00 1.67 5.85 -0.98 -3.28 115.31 119.18 1r81 h LEU 311 Ca 0.00 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 1r81 h LEU 311 Cb 0.39 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1r81 h LEU 311 CO 0.00 1.19 -0.56 0.03 -0.34 0.00 0.00 178.44 178.75 1r81 h ARG 312 N 0.08 0.00 -3.31 1.25 2.47 -1.07 -3.40 114.38 110.40 1r81 h ARG 312 Ca -0.05 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.06 1r81 h ARG 312 Cb 1.20 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.12 1r81 h ARG 312 CO 0.11 0.16 -0.73 -1.01 0.56 0.00 0.00 179.97 179.05 1r81 s HIS 313 N -3.15 2.16 0.21 3.04 3.76 0.87 -5.11 115.29 117.07 1r81 s HIS 313 Ca 0.03 -2.37 -0.32 0.00 -0.15 0.00 0.00 55.06 52.25 1r81 s HIS 313 Cb 0.07 -2.01 -0.12 0.00 1.11 0.00 0.00 32.58 31.63 1r81 s HIS 313 CO 0.74 -0.82 1.69 1.63 -0.85 0.00 0.00 174.74 177.13 1r81 n LYS 314 N 3.89 2.66 -2.16 1.40 4.76 -1.24 -4.26 118.16 123.21 1r81 n LYS 314 Ca 0.05 0.96 -0.36 0.00 -2.87 0.00 0.00 58.31 56.09 1r81 n LYS 314 Cb 0.37 -2.79 0.01 0.00 -1.84 0.00 0.00 35.03 30.78 1r81 n LYS 314 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1r81 s PRO 315 N 1.01 3.35 0.00 1.97 0.04 -1.26 -4.92 135.00 135.19 1r81 s PRO 315 Ca 0.75 1.76 0.28 0.00 0.04 0.00 0.00 61.00 63.83 1r81 s PRO 315 Cb -0.54 -2.11 1.06 0.00 0.04 0.00 0.00 34.50 32.95 1r81 s PRO 315 CO 0.34 -0.89 1.80 0.25 0.04 0.00 0.00 177.00 178.54 1r81 n THR 316 N -1.13 0.00 -3.71 1.26 -2.24 0.18 -4.78 114.28 103.85 1r81 n THR 316 Ca 0.11 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1r81 n THR 316 Cb 0.49 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 1r81 n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r81 s LYS 317 N -2.95 0.67 -0.08 -0.78 1.02 -1.13 -4.02 119.74 112.47 1r81 s LYS 317 Ca 0.15 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.32 1r81 s LYS 317 Cb 0.19 0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1r81 s LYS 317 CO 0.57 -0.16 -0.16 0.08 -0.92 0.00 0.00 175.35 174.75 1r81 s VAL 318 N -0.75 1.48 0.03 3.17 1.01 -0.68 -3.07 120.40 121.60 1r81 s VAL 318 Ca -0.08 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 1r81 s VAL 318 Cb -0.04 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 1r81 s VAL 318 CO 0.04 0.43 0.52 -0.76 0.00 0.00 0.00 175.10 175.33 1r81 s LEU 319 N 0.61 4.49 0.94 3.92 1.43 0.22 -0.88 118.68 129.40 1r81 s LEU 319 Ca -0.15 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1r81 s LEU 319 Cb -0.16 -2.79 0.15 0.00 0.03 0.00 0.00 46.19 43.41 1r81 s LEU 319 CO 0.05 0.25 1.10 -0.94 0.23 0.00 0.00 176.35 177.04 1r81 s SER 320 N -0.89 3.18 0.00 2.29 1.04 -0.90 -1.14 113.70 117.28 1r81 s SER 320 Ca 0.27 1.27 0.05 0.00 0.48 0.00 0.00 55.95 58.02 1r81 s SER 320 Cb -0.18 -1.93 0.26 0.00 0.10 0.00 0.00 66.02 64.26 1r81 s SER 320 CO 0.17 -2.79 0.94 -2.65 0.98 0.00 0.00 173.24 169.88 1r81 n PRO 321 N -3.96 0.09 0.25 4.02 -0.02 -1.26 -1.73 135.00 132.39 1r81 n PRO 321 Ca 0.06 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1r81 n PRO 321 Cb 0.57 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.18 1r81 n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1r81 h GLU 322 N 0.00 0.00 -0.00 -0.52 5.08 -1.90 -2.57 114.58 114.67 1r81 h GLU 322 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r81 h GLU 322 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1r81 h GLU 322 CO 0.00 0.05 -0.10 0.66 -1.00 0.00 0.00 179.01 178.62 1r81 n TYR 323 N -4.38 0.00 -3.14 4.33 4.02 -0.71 -1.21 117.16 116.07 1r81 n TYR 323 Ca -0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.89 1r81 n TYR 323 Cb 0.13 -0.28 -0.00 0.00 -0.02 0.00 0.00 39.34 39.17 1r81 n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1r81 s LEU 324 N -2.67 -1.35 0.24 7.72 0.20 -0.97 -4.25 118.68 117.60 1r81 s LEU 324 Ca 0.24 -0.19 0.06 0.00 0.69 0.00 0.00 54.13 54.93 1r81 s LEU 324 Cb 0.20 1.79 -0.05 0.00 -0.43 0.00 0.00 46.19 47.69 1r81 s LEU 324 CO 0.51 -0.21 -0.06 0.86 -0.29 0.00 0.00 176.35 177.16 1r81 s TRP 325 N 2.44 1.71 -0.32 5.38 -0.11 -0.43 -4.24 118.94 123.37 1r81 s TRP 325 Ca 0.15 -0.75 -0.01 0.00 1.22 0.00 0.00 56.10 56.70 1r81 s TRP 325 Cb -0.06 -0.94 0.10 0.00 -1.50 0.00 0.00 33.47 31.07 1r81 s TRP 325 CO -0.18 0.17 0.12 0.34 -4.62 0.00 0.00 176.95 172.78 1r81 s ASP 326 N -3.35 3.93 0.34 5.86 -1.08 -1.26 -1.49 116.67 119.62 1r81 s ASP 326 Ca 0.27 -1.73 0.08 0.00 -0.52 0.00 0.00 52.55 50.65 1r81 s ASP 326 Cb 0.03 -0.83 0.61 0.00 -1.46 0.00 0.00 42.92 41.27 1r81 s ASP 326 CO 0.09 -0.40 1.81 -0.61 0.52 0.00 0.00 175.17 176.58 1r81 h GLN 327 N 7.95 0.26 -0.38 4.34 4.15 -1.89 0.20 115.11 129.74 1r81 h GLN 327 Ca -0.12 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 1r81 h GLN 327 Cb 1.00 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1r81 h GLN 327 CO 0.46 0.50 0.08 0.37 -1.93 0.00 0.00 178.83 178.32 1r81 h GLN 328 N 0.24 0.63 0.00 1.69 4.15 -1.93 0.45 115.11 120.33 1r81 h GLN 328 Ca 0.04 -0.16 -0.14 0.00 0.77 0.00 0.00 58.65 59.16 1r81 h GLN 328 Cb 0.58 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1r81 h GLN 328 CO 0.04 0.67 -0.95 1.25 -1.93 0.00 0.00 178.83 177.91 1r81 h LEU 329 N 0.48 0.00 -0.56 -2.39 5.85 -1.96 -3.39 115.31 113.33 1r81 h LEU 329 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1r81 h LEU 329 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1r81 h LEU 329 CO 0.00 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.85 1r81 n LEU 330 N -3.08 0.56 0.00 2.25 4.77 0.70 -5.09 117.00 117.11 1r81 n LEU 330 Ca -0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1r81 n LEU 330 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1r81 n LEU 330 CO 0.42 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1r81 n GLY 331 N 0.26 0.30 2.51 -0.72 0.00 0.16 -4.52 105.19 103.17 1r81 n GLY 331 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1r81 n GLY 331 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r81 s TRP 332 N 0.00 1.35 0.64 1.61 -0.11 -1.26 -4.37 118.94 116.80 1r81 s TRP 332 Ca 0.00 -2.25 -0.18 0.00 1.22 0.00 0.00 56.10 54.89 1r81 s TRP 332 Cb 0.00 -1.22 -0.01 0.00 -1.50 0.00 0.00 33.47 30.73 1r81 s TRP 332 CO 0.00 -0.79 1.27 -2.14 -4.62 0.00 0.00 176.95 170.66 1r81 s PRO 333 N 0.22 2.62 0.40 5.86 0.02 -1.26 -4.92 135.00 137.95 1r81 s PRO 333 Ca 0.26 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.34 1r81 s PRO 333 Cb -0.08 -1.86 0.86 0.00 0.02 0.00 0.00 34.50 33.44 1r81 s PRO 333 CO -0.11 -1.52 2.02 0.00 -0.33 0.00 0.00 177.00 177.06 1r81 h ALA 334 N 0.56 1.77 0.00 -1.55 0.00 -2.00 -1.51 119.26 116.53 1r81 h ALA 334 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1r81 h ALA 334 Cb 1.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r81 h ALA 334 CO 0.53 0.17 0.00 -0.24 0.00 0.00 0.00 179.25 179.72 1r81 h VAL 335 N 0.58 0.00 -3.31 0.00 3.04 -2.00 -3.37 116.25 111.20 1r81 h VAL 335 Ca 0.21 -0.09 -0.73 0.00 -1.01 0.00 0.00 66.70 65.09 1r81 h VAL 335 Cb 0.12 0.68 -0.28 0.00 -2.01 0.00 0.00 31.29 29.81 1r81 h VAL 335 CO -0.06 0.00 -0.38 -0.76 -1.01 0.00 0.00 177.57 175.36 1r81 s LEU 336 N -4.63 5.62 0.39 3.16 1.43 -0.57 -4.92 118.68 119.17 1r81 s LEU 336 Ca -0.00 -1.74 0.20 0.00 -1.03 0.00 0.00 54.13 51.56 1r81 s LEU 336 Cb 0.08 -2.05 0.70 0.00 0.03 0.00 0.00 46.19 44.95 1r81 s LEU 336 CO 0.28 -0.67 1.74 0.03 0.23 0.00 0.00 176.35 177.95 1r81 h ARG 337 N 8.53 0.00 -3.78 1.70 3.08 -1.83 -3.45 114.38 118.63 1r81 h ARG 337 Ca -0.23 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.65 1r81 h ARG 337 Cb 1.08 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.92 1r81 h ARG 337 CO 0.86 0.33 -0.62 0.15 -1.07 0.00 0.00 179.97 179.61 1r81 s LYS 338 N -3.55 0.34 -0.34 0.04 1.02 -1.26 -5.11 119.74 110.89 1r81 s LYS 338 Ca 0.01 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1r81 s LYS 338 Cb 0.10 0.13 0.08 0.00 -0.52 0.00 0.00 37.83 37.63 1r81 s LYS 338 CO 0.67 -0.07 0.06 -0.51 -0.92 0.00 0.00 175.35 174.58 1r81 s LEU 339 N -1.27 4.46 -0.14 3.17 1.43 -1.26 -4.65 118.68 120.42 1r81 s LEU 339 Ca -0.14 -1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 51.11 1r81 s LEU 339 Cb -0.08 -1.70 -0.25 0.00 0.03 0.00 0.00 46.19 44.19 1r81 s LEU 339 CO -0.00 -0.36 0.35 0.03 0.23 0.00 0.00 176.35 176.60 1r81 h ARG 340 N 7.88 0.21 -3.60 1.70 3.08 -1.46 -3.30 114.38 118.89 1r81 h ARG 340 Ca -0.14 -0.36 -0.42 0.00 0.07 0.00 0.00 59.98 59.13 1r81 h ARG 340 Cb 1.04 0.14 -0.38 0.00 0.08 0.00 0.00 29.97 30.85 1r81 h ARG 340 CO 0.57 1.17 -0.76 0.12 -1.07 0.00 0.00 179.97 180.00 1r81 s PHE 341 N -2.51 0.50 0.18 3.04 5.36 -1.21 -0.01 117.98 123.33 1r81 s PHE 341 Ca -0.23 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 1r81 s PHE 341 Cb 0.06 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 41.99 1r81 s PHE 341 CO 0.73 -0.29 -0.04 0.95 -1.46 0.00 0.00 175.22 175.12 1r81 s THR 342 N 2.00 0.98 0.41 0.12 -4.23 -0.33 -1.32 115.64 113.28 1r81 s THR 342 Ca 0.05 -2.03 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 1r81 s THR 342 Cb -0.12 -2.09 -0.08 0.00 1.34 0.00 0.00 72.50 71.54 1r81 s THR 342 CO -0.05 -0.53 1.13 0.00 -0.54 0.00 0.00 174.62 174.64 1r81 s ALA 343 N -3.45 3.10 -0.24 3.99 0.00 -0.55 -1.02 121.76 123.58 1r81 s ALA 343 Ca 0.23 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1r81 s ALA 343 Cb 0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1r81 s ALA 343 CO 0.04 -0.46 0.31 0.08 0.00 0.00 0.00 175.76 175.73 1r81 s VAL 344 N -1.51 5.24 -2.00 0.00 1.01 -1.11 -4.83 120.40 117.21 1r81 s VAL 344 Ca 0.59 0.48 0.19 0.00 0.00 0.00 0.00 61.98 63.23 1r81 s VAL 344 Cb -0.28 -3.64 0.53 0.00 0.00 0.00 0.00 36.38 32.99 1r81 s VAL 344 CO 0.35 0.24 1.51 -0.81 0.00 0.00 0.00 175.10 176.39