#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r80 s VAL 64 N 0.00 4.58 0.36 1.12 1.01 -1.26 -5.02 120.40 121.19 1r80 s VAL 64 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 1r80 s VAL 64 Cb 0.00 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1r80 s VAL 64 CO 0.00 -0.45 1.35 -0.55 0.00 0.00 0.00 175.10 175.46 1r80 s SER 65 N -2.67 6.54 0.49 3.32 0.15 -1.26 -5.01 113.70 115.26 1r80 s SER 65 Ca 0.57 2.78 -0.20 0.00 0.70 0.00 0.00 55.95 59.80 1r80 s SER 65 Cb -0.10 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.48 1r80 s SER 65 CO 0.23 -0.70 1.03 -0.76 1.20 0.00 0.00 173.24 174.24 1r80 s LEU 66 N -2.03 3.83 0.80 3.45 1.43 -1.26 -5.04 118.68 119.86 1r80 s LEU 66 Ca 0.52 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1r80 s LEU 66 Cb -0.41 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.34 1r80 s LEU 66 CO 0.55 -0.75 1.16 -2.16 0.23 0.00 0.00 176.35 175.37 1r80 s PRO 67 N -3.31 1.85 0.29 1.29 0.04 -1.26 -4.98 135.00 128.92 1r80 s PRO 67 Ca 0.66 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.35 1r80 s PRO 67 Cb -0.15 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 1r80 s PRO 67 CO 0.21 -1.61 1.60 -2.13 0.04 0.00 0.00 177.00 175.10 1r80 n ARG 68 N -3.28 2.71 -4.05 4.56 0.63 -1.26 -5.00 116.66 110.98 1r80 n ARG 68 Ca 0.09 0.96 -0.15 0.00 -0.92 0.00 0.00 57.85 57.84 1r80 n ARG 68 Cb 0.61 -2.75 -0.14 0.00 0.45 0.00 0.00 32.46 30.62 1r80 n ARG 68 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r80 s MET 69 N -0.50 0.29 -0.28 -0.14 -1.94 -1.26 -5.13 119.30 110.34 1r80 s MET 69 Ca 0.64 -0.11 -0.06 0.00 -1.71 0.00 0.00 55.69 54.46 1r80 s MET 69 Cb -0.49 -0.29 0.01 0.00 2.01 0.00 0.00 34.83 36.06 1r80 s MET 69 CO 0.48 0.06 0.04 0.08 -0.01 0.00 0.00 175.02 175.67 1r80 s VAL 70 N 0.01 3.72 0.19 -6.03 1.01 -1.26 -5.07 120.40 112.96 1r80 s VAL 70 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1r80 s VAL 70 Cb -0.02 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1r80 s VAL 70 CO -0.00 0.14 0.47 -0.72 0.00 0.00 0.00 175.10 174.99 1r80 s TYR 71 N 1.47 -0.02 0.26 5.22 -0.85 -1.26 -5.14 117.35 117.03 1r80 s TYR 71 Ca 0.02 -0.33 -0.31 0.00 -0.52 0.00 0.00 57.07 55.94 1r80 s TYR 71 Cb -0.17 0.30 -0.13 0.00 0.38 0.00 0.00 41.96 42.35 1r80 s TYR 71 CO 0.01 -0.87 1.51 -2.30 -1.52 0.00 0.00 175.55 172.37 1r80 n PRO 72 N -0.31 2.36 -2.17 -3.49 -0.02 -1.26 -4.93 135.00 125.18 1r80 n PRO 72 Ca -0.10 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1r80 n PRO 72 Cb 0.63 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1r80 n PRO 72 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1r80 s GLN 73 N -0.36 4.34 0.39 -0.52 0.74 -1.26 -4.97 119.66 118.02 1r80 s GLN 73 Ca 0.67 2.10 -0.26 0.00 0.05 0.00 0.00 55.36 57.91 1r80 s GLN 73 Cb -0.58 -3.20 -0.09 0.00 1.10 0.00 0.00 33.01 30.24 1r80 s GLN 73 CO 0.48 -0.35 1.29 -1.25 -0.55 0.00 0.00 175.29 174.91 1r80 s PRO 74 N 0.36 4.05 -0.47 1.67 0.04 -1.26 -4.97 135.00 134.42 1r80 s PRO 74 Ca 0.60 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.65 1r80 s PRO 74 Cb -0.37 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.43 1r80 s PRO 74 CO 0.35 -0.42 0.38 0.15 0.04 0.00 0.00 177.00 177.51 1r80 s LYS 75 N -2.16 2.91 0.26 4.56 1.02 -1.26 -4.97 119.74 120.10 1r80 s LYS 75 Ca 0.55 -1.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 1r80 s LYS 75 Cb -0.38 -4.09 0.47 0.00 -0.52 0.00 0.00 37.83 33.32 1r80 s LYS 75 CO 0.49 -1.05 1.79 0.28 -0.92 0.00 0.00 175.35 175.94 1r80 h VAL 76 N 5.83 0.83 -0.56 3.17 2.07 -2.02 -1.02 116.25 124.56 1r80 h VAL 76 Ca -0.28 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 1r80 h VAL 76 Cb 1.10 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1r80 h VAL 76 CO 0.87 0.13 0.15 0.18 0.02 0.00 0.00 177.57 178.93 1r80 n LEU 77 N -4.79 5.14 -3.51 2.57 4.77 -1.26 -4.70 117.00 115.23 1r80 n LEU 77 Ca 0.16 -2.65 -0.25 0.00 -0.03 0.00 0.00 56.01 53.23 1r80 n LEU 77 Cb 0.35 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1r80 n LEU 77 CO 0.24 0.66 -0.29 -0.89 -1.33 0.00 0.00 177.39 175.79 1r80 s THR 78 N -2.48 -0.17 0.68 -5.08 2.01 -0.39 -5.14 115.64 105.08 1r80 s THR 78 Ca 0.44 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 1r80 s THR 78 Cb 0.35 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1r80 s THR 78 CO 0.12 -0.61 1.18 -2.84 -0.69 0.00 0.00 174.62 171.77 1r80 s PRO 79 N 2.18 2.53 -0.03 4.92 0.02 -1.26 -4.50 135.00 138.86 1r80 s PRO 79 Ca 0.09 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.53 1r80 s PRO 79 Cb -0.15 -1.89 -0.22 0.00 0.02 0.00 0.00 34.50 32.26 1r80 s PRO 79 CO -0.33 -1.51 1.11 0.00 -0.33 0.00 0.00 177.00 175.93 1r80 s ARG 81 N -3.43 2.12 0.00 0.00 1.81 -1.26 -4.96 118.95 113.22 1r80 s ARG 81 Ca -0.15 -0.56 0.10 0.00 -1.72 0.00 0.00 55.73 53.39 1r80 s ARG 81 Cb 0.02 -1.68 -0.08 0.00 -0.45 0.00 0.00 34.95 32.75 1r80 s ARG 81 CO 0.74 0.07 0.45 1.63 -0.68 0.00 0.00 175.30 177.51 1r80 n LYS 82 N 3.73 3.49 0.00 3.54 5.02 -1.26 -4.54 118.16 128.13 1r80 n LYS 82 Ca -0.22 -0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.05 1r80 n LYS 82 Cb 0.52 -0.98 0.13 0.00 -0.02 0.00 0.00 35.03 34.68 1r80 n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1r80 n ASP 83 N -1.01 0.80 -3.99 4.39 5.75 -1.26 -4.97 116.55 116.26 1r80 n ASP 83 Ca 0.02 -0.63 -0.08 0.00 -0.01 0.00 0.00 54.79 54.10 1r80 n ASP 83 Cb 0.16 0.50 -0.09 0.00 -1.03 0.00 0.00 41.12 40.66 1r80 n ASP 83 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1r80 s VAL 84 N -2.92 0.18 -0.15 2.12 -7.23 -1.26 -5.12 120.40 106.02 1r80 s VAL 84 Ca 0.12 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 1r80 s VAL 84 Cb 0.17 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 1r80 s VAL 84 CO 0.73 -0.84 1.10 -0.22 -0.31 0.00 0.00 175.10 175.56 1r80 s LEU 85 N -2.90 4.19 0.00 1.32 2.96 -1.26 -4.92 118.68 118.07 1r80 s LEU 85 Ca 0.07 1.56 0.16 0.00 -0.22 0.00 0.00 54.13 55.69 1r80 s LEU 85 Cb 0.07 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.37 1r80 s LEU 85 CO -0.10 -0.60 1.05 1.33 -1.32 0.00 0.00 176.35 176.70 1r80 n VAL 86 N 4.96 0.11 -3.76 1.68 0.24 -1.26 -4.76 118.33 115.54 1r80 n VAL 86 Ca 0.11 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.34 61.73 1r80 n VAL 86 Cb 0.47 1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.96 1r80 n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r80 s VAL 87 N -1.30 -0.01 0.73 3.34 0.11 -1.26 -0.57 120.40 121.45 1r80 s VAL 87 Ca 0.20 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 1r80 s VAL 87 Cb 0.14 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1r80 s VAL 87 CO 0.20 0.02 1.11 0.42 -3.33 0.00 0.00 175.10 173.52 1r80 s THR 88 N 0.50 2.96 -1.02 5.04 -4.23 0.44 -4.89 115.64 114.44 1r80 s THR 88 Ca -0.03 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1r80 s THR 88 Cb -0.04 -3.30 0.07 0.00 1.34 0.00 0.00 72.50 70.56 1r80 s THR 88 CO -0.03 -0.39 1.24 -0.81 -0.54 0.00 0.00 174.62 174.10 1r80 n PRO 89 N -3.08 0.00 -0.70 3.99 -0.04 -1.26 -0.77 135.00 133.14 1r80 n PRO 89 Ca 0.07 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 1r80 n PRO 89 Cb 0.59 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.87 1r80 n PRO 89 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1r80 n TRP 90 N -1.49 1.57 -3.30 0.54 2.14 -1.26 -4.95 117.44 110.69 1r80 n TRP 90 Ca 0.02 -0.87 -0.20 0.00 2.07 0.00 0.00 57.50 58.51 1r80 n TRP 90 Cb 0.09 -0.44 0.06 0.00 -0.81 0.00 0.00 31.31 30.21 1r80 n TRP 90 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1r80 n LEU 91 N -0.03 -3.03 -4.66 5.67 4.77 0.05 -5.02 117.00 114.76 1r80 n LEU 91 Ca 0.26 -0.40 -0.35 0.00 -0.03 0.00 0.00 56.01 55.49 1r80 n LEU 91 Cb 1.08 -2.69 -0.09 0.00 -2.33 0.00 0.00 43.42 39.38 1r80 n LEU 91 CO 0.25 0.46 -0.25 0.00 -1.33 0.00 0.00 177.39 176.53 1r80 s ALA 92 N -3.23 3.44 0.45 -1.18 0.00 -1.25 -4.85 121.76 115.14 1r80 s ALA 92 Ca 0.44 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1r80 s ALA 92 Cb -0.19 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 1r80 s ALA 92 CO 0.54 0.22 1.32 -2.14 0.00 0.00 0.00 175.76 175.71 1r80 s PRO 93 N 0.23 3.70 -0.28 0.00 0.02 -1.25 -0.42 135.00 137.00 1r80 s PRO 93 Ca 0.04 2.18 -0.06 0.00 0.02 0.00 0.00 61.00 63.18 1r80 s PRO 93 Cb -0.12 -2.58 -0.00 0.00 0.02 0.00 0.00 34.50 31.82 1r80 s PRO 93 CO 0.00 -0.72 0.06 0.42 -0.33 0.00 0.00 177.00 176.43 1r80 s ILE 94 N -1.30 3.94 -0.45 2.83 1.01 0.27 -1.39 121.20 126.12 1r80 s ILE 94 Ca 0.62 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1r80 s ILE 94 Cb -0.38 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1r80 s ILE 94 CO 0.48 0.18 1.14 -0.69 0.00 0.00 0.00 174.94 176.05 1r80 s VAL 95 N 1.52 4.24 0.12 2.92 1.01 0.05 -4.69 120.40 125.57 1r80 s VAL 95 Ca 0.04 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1r80 s VAL 95 Cb -0.16 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 1r80 s VAL 95 CO 0.02 -0.91 -0.13 0.26 0.00 0.00 0.00 175.10 174.33 1r80 s TRP 96 N 4.36 1.36 0.29 5.22 0.52 -1.26 -2.14 118.94 127.29 1r80 s TRP 96 Ca 0.48 -0.58 -0.29 0.00 0.02 0.00 0.00 56.10 55.73 1r80 s TRP 96 Cb -0.08 -0.71 -0.11 0.00 -1.15 0.00 0.00 33.47 31.42 1r80 s TRP 96 CO 0.29 0.13 1.47 -2.00 0.02 0.00 0.00 176.95 176.86 1r80 s GLU 97 N -2.75 4.21 0.00 4.98 2.56 -1.26 -2.16 118.70 124.28 1r80 s GLU 97 Ca 0.09 2.41 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1r80 s GLU 97 Cb -0.04 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 33.03 1r80 s GLU 97 CO 0.03 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.67 1r80 n GLY 98 N 1.72 0.97 0.03 -1.50 0.00 -1.26 -4.92 105.19 100.23 1r80 n GLY 98 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1r80 n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r80 n THR 99 N -1.78 0.13 -4.10 2.61 -2.24 -0.92 -4.75 114.28 103.23 1r80 n THR 99 Ca 0.00 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1r80 n THR 99 Cb 0.00 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 1r80 n THR 99 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1r80 s PHE 100 N -3.16 0.83 -0.45 4.78 -0.12 -1.26 -5.04 117.98 113.55 1r80 s PHE 100 Ca 0.05 -0.48 -0.14 0.00 -0.05 0.00 0.00 56.93 56.30 1r80 s PHE 100 Cb 0.15 -0.48 0.07 0.00 -0.63 0.00 0.00 43.02 42.12 1r80 s PHE 100 CO 0.80 -0.04 0.36 1.21 -0.05 0.00 0.00 175.22 177.49 1r80 s ASN 101 N -1.61 6.03 0.56 1.98 3.84 -1.26 -4.95 114.94 119.53 1r80 s ASN 101 Ca -0.08 -1.32 0.31 0.00 0.21 0.00 0.00 52.86 51.98 1r80 s ASN 101 Cb -0.10 -2.14 1.66 0.00 -0.55 0.00 0.00 41.25 40.12 1r80 s ASN 101 CO 0.01 -0.60 2.14 -0.29 -2.79 0.00 0.00 177.10 175.56 1r80 h ILE 102 N 5.81 0.41 -0.44 -5.21 6.09 -1.99 -2.57 117.51 119.62 1r80 h ILE 102 Ca -0.27 -0.37 -0.12 0.00 -1.37 0.00 0.00 64.86 62.73 1r80 h ILE 102 Cb 1.11 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 1r80 h ILE 102 CO 0.84 0.07 -0.20 0.44 -3.07 0.00 0.00 178.15 176.23 1r80 h ASP 103 N 0.00 0.94 -0.23 2.19 3.32 -1.99 0.10 116.42 120.76 1r80 h ASP 103 Ca -0.00 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1r80 h ASP 103 Cb 0.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1r80 h ASP 103 CO 0.01 1.13 -0.04 0.40 -1.72 0.00 0.00 179.24 179.02 1r80 h ILE 104 N 0.74 1.28 -0.63 0.35 2.04 -1.90 -2.28 117.51 117.11 1r80 h ILE 104 Ca 0.10 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1r80 h ILE 104 Cb 0.77 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1r80 h ILE 104 CO 0.06 0.31 0.23 -0.07 0.00 0.00 0.00 178.15 178.69 1r80 h LEU 105 N 0.17 0.89 -1.00 1.44 3.38 -1.42 -1.68 115.31 117.09 1r80 h LEU 105 Ca 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1r80 h LEU 105 Cb 0.48 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1r80 h LEU 105 CO 0.02 0.83 0.57 0.78 0.09 0.00 0.00 178.44 180.73 1r80 h ASN 106 N 0.89 1.11 -0.01 -0.43 2.35 -0.75 -1.46 115.58 117.29 1r80 h ASN 106 Ca 0.21 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1r80 h ASN 106 Cb 0.23 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1r80 h ASN 106 CO -0.01 0.84 0.00 -0.33 -1.65 0.00 0.00 177.43 176.28 1r80 h GLU 107 N 1.28 0.01 -0.47 0.81 4.39 -1.02 -0.20 114.58 119.38 1r80 h GLU 107 Ca 0.34 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.08 1r80 h GLU 107 Cb -0.07 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1r80 h GLU 107 CO -0.06 0.07 0.23 1.96 -1.16 0.00 0.00 179.01 180.04 1r80 h GLN 108 N -0.06 0.44 0.00 2.33 4.20 -0.90 -1.49 115.11 119.63 1r80 h GLN 108 Ca 0.00 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 1r80 h GLN 108 Cb 0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1r80 h GLN 108 CO -0.00 0.29 -0.83 0.74 -0.67 0.00 0.00 178.83 178.36 1r80 h PHE 109 N 0.45 0.00 -0.15 2.96 -1.00 -1.19 -3.22 116.94 114.79 1r80 h PHE 109 Ca 0.21 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.83 1r80 h PHE 109 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1r80 h PHE 109 CO -0.11 0.83 -0.59 0.00 -1.61 0.00 0.00 178.31 176.83 1r80 h ARG 110 N 0.00 0.50 0.00 1.51 2.47 -0.84 -2.44 114.38 115.58 1r80 h ARG 110 Ca -0.01 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1r80 h ARG 110 Cb 1.51 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.88 1r80 h ARG 110 CO 0.11 0.95 -0.02 -0.07 0.56 0.00 0.00 179.97 181.49 1r80 h LEU 111 N 0.38 0.00 -1.65 3.04 3.38 -1.29 0.75 115.31 119.92 1r80 h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r80 h LEU 111 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1r80 h LEU 111 CO 0.11 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1r80 n GLN 112 N -3.25 2.11 -3.85 1.13 1.13 -1.01 -4.89 117.38 108.75 1r80 n GLN 112 Ca -0.02 -1.64 -0.26 0.00 -1.94 0.00 0.00 57.00 53.14 1r80 n GLN 112 Cb 0.16 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.06 1r80 n GLN 112 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1r80 n ASN 113 N 0.93 -2.31 -4.73 1.08 4.13 0.26 -4.87 115.26 109.75 1r80 n ASN 113 Ca 0.17 -0.86 -0.42 0.00 1.68 0.00 0.00 54.58 55.15 1r80 n ASN 113 Cb 0.50 -3.72 -0.03 0.00 -1.54 0.00 0.00 39.78 34.99 1r80 n ASN 113 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1r80 s THR 114 N -3.58 2.49 -0.17 3.41 2.01 -0.95 -4.96 115.64 113.89 1r80 s THR 114 Ca 0.27 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1r80 s THR 114 Cb -0.13 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1r80 s THR 114 CO 0.84 0.04 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.81 1r80 s THR 115 N 0.68 2.93 -0.17 -0.82 2.01 -1.26 -3.31 115.64 115.69 1r80 s THR 115 Ca 0.67 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 1r80 s THR 115 Cb -0.44 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1r80 s THR 115 CO 0.37 0.49 0.00 -0.63 -0.69 0.00 0.00 174.62 174.16 1r80 s ILE 116 N 0.94 4.21 -0.14 1.82 1.09 0.20 -0.77 121.20 128.55 1r80 s ILE 116 Ca -0.02 -0.24 -0.10 0.00 -1.10 0.00 0.00 60.65 59.18 1r80 s ILE 116 Cb -0.15 -2.87 -0.05 0.00 -1.06 0.00 0.00 42.46 38.33 1r80 s ILE 116 CO -0.01 0.47 0.21 -0.83 -0.10 0.00 0.00 174.94 174.68 1r80 s GLY 117 N 0.50 2.18 -0.21 6.18 0.00 0.50 -1.01 107.32 115.47 1r80 s GLY 117 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1r80 s GLY 117 CO 0.02 0.02 -0.17 -2.27 0.00 0.00 0.00 173.10 170.70 1r80 s LEU 118 N -0.31 2.60 -0.10 0.66 2.96 -0.30 -0.36 118.68 123.84 1r80 s LEU 118 Ca 0.15 -0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1r80 s LEU 118 Cb -0.13 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1r80 s LEU 118 CO 0.04 -0.07 0.00 0.42 -1.32 0.00 0.00 176.35 175.42 1r80 s THR 119 N 1.23 4.29 -0.02 3.68 -4.23 0.04 -0.57 115.64 120.05 1r80 s THR 119 Ca 0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1r80 s THR 119 Cb -0.15 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1r80 s THR 119 CO -0.10 0.59 0.14 0.68 -0.54 0.00 0.00 174.62 175.39 1r80 s VAL 120 N -0.70 0.06 -0.11 2.29 -7.23 -0.69 -2.51 120.40 111.51 1r80 s VAL 120 Ca 0.11 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 1r80 s VAL 120 Cb -0.12 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1r80 s VAL 120 CO 0.02 -0.27 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.10 1r80 s PHE 121 N -0.95 2.92 -0.37 2.82 0.40 -1.26 -1.15 117.98 120.39 1r80 s PHE 121 Ca -0.10 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1r80 s PHE 121 Cb -0.06 -1.81 0.14 0.00 0.51 0.00 0.00 43.02 41.80 1r80 s PHE 121 CO 0.01 0.08 0.22 0.00 0.70 0.00 0.00 175.22 176.23 1r80 s ALA 122 N -0.17 1.16 0.02 5.36 0.00 0.43 -4.52 121.76 124.05 1r80 s ALA 122 Ca 0.02 -2.00 0.03 0.00 0.00 0.00 0.00 51.96 50.00 1r80 s ALA 122 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1r80 s ALA 122 CO 0.03 -2.10 -0.03 0.42 0.00 0.00 0.00 175.76 174.08 1r80 s ILE 123 N 0.93 3.93 0.00 0.00 1.09 -1.26 -3.84 121.20 122.05 1r80 s ILE 123 Ca 0.18 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1r80 s ILE 123 Cb -0.23 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 1r80 s ILE 123 CO 0.01 0.34 0.00 0.29 -0.10 0.00 0.00 174.94 175.47 1r80 n LYS 124 N 1.31 0.00 0.13 2.79 5.02 -1.26 -2.19 118.16 123.95 1r80 n LYS 124 Ca -0.14 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1r80 n LYS 124 Cb 0.52 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 36.02 1r80 n LYS 124 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1r80 n LYS 125 N 14.00 0.14 0.00 1.97 0.00 -1.26 -2.85 118.16 130.16 1r80 n LYS 125 Ca 0.00 0.52 0.09 0.00 -0.00 0.00 0.00 58.31 58.92 1r80 n LYS 125 Cb 0.00 -1.86 0.42 0.00 -0.00 0.00 0.00 35.03 33.59 1r80 n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1r80 n TYR 126 N -2.14 0.00 0.31 5.58 4.02 -0.93 -2.47 117.16 121.53 1r80 n TYR 126 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.09 1r80 n TYR 126 Cb 0.12 -0.43 0.91 0.00 -0.02 0.00 0.00 39.34 39.92 1r80 n TYR 126 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1r80 h VAL 127 N 0.00 0.00 0.00 -0.72 -1.51 -1.72 -1.97 116.25 110.33 1r80 h VAL 127 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1r80 h VAL 127 Cb 0.28 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1r80 h VAL 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1r80 h ALA 128 N 2.01 1.00 0.00 5.19 0.00 -1.76 -2.72 119.26 122.98 1r80 h ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r80 h ALA 128 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r80 h ALA 128 CO 0.00 0.00 -0.55 1.19 0.00 0.00 0.00 179.25 179.89 1r80 n PHE 129 N -2.76 0.21 -0.24 0.00 3.01 -0.74 -4.42 117.46 112.52 1r80 n PHE 129 Ca 0.00 0.06 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 1r80 n PHE 129 Cb 0.23 -0.42 0.08 0.00 -0.01 0.00 0.00 39.48 39.36 1r80 n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1r80 h LEU 130 N 0.00 0.70 0.27 4.37 3.38 -1.62 -2.30 115.31 120.11 1r80 h LEU 130 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r80 h LEU 130 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1r80 h LEU 130 CO 0.00 0.48 -0.27 0.50 0.09 0.00 0.00 178.44 179.24 1r80 h LYS 131 N 0.83 -0.55 -0.65 1.13 3.64 -1.80 -0.00 116.57 119.18 1r80 h LYS 131 Ca 0.28 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1r80 h LYS 131 Cb 0.04 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1r80 h LYS 131 CO -0.12 -0.37 0.12 1.25 -2.27 0.00 0.00 179.45 178.06 1r80 h LEU 132 N -0.57 1.00 0.29 5.20 5.85 -1.85 -0.48 115.31 124.75 1r80 h LEU 132 Ca -0.01 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1r80 h LEU 132 Cb 0.53 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1r80 h LEU 132 CO -0.06 0.99 -0.18 0.15 -0.34 0.00 0.00 178.44 179.00 1r80 h PHE 133 N 0.99 -0.46 -0.46 1.25 3.57 -1.17 -1.50 116.94 119.16 1r80 h PHE 133 Ca 0.20 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1r80 h PHE 133 Cb 0.41 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1r80 h PHE 133 CO 0.03 -0.28 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.67 1r80 h LEU 134 N -0.45 0.88 -0.68 0.59 3.38 -0.92 -0.94 115.31 117.18 1r80 h LEU 134 Ca -0.03 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1r80 h LEU 134 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1r80 h LEU 134 CO 0.03 1.03 0.39 -0.33 0.09 0.00 0.00 178.44 179.65 1r80 h GLU 135 N 0.71 0.93 -0.01 1.13 5.08 -1.04 -0.91 114.58 120.48 1r80 h GLU 135 Ca 0.12 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1r80 h GLU 135 Cb 0.64 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1r80 h GLU 135 CO 0.04 0.68 -0.73 1.79 -1.00 0.00 0.00 179.01 179.79 1r80 h THR 136 N 0.92 1.51 -0.61 1.13 1.35 -1.23 -2.92 112.91 113.06 1r80 h THR 136 Ca 0.24 -2.46 -0.05 0.00 -0.55 0.00 0.00 66.41 63.59 1r80 h THR 136 Cb 0.01 2.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 1r80 h THR 136 CO -0.04 0.71 0.16 0.00 -0.25 0.00 0.00 175.52 176.09 1r80 h ALA 137 N 1.23 1.14 0.00 6.62 0.00 -0.69 -1.08 119.26 126.47 1r80 h ALA 137 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1r80 h ALA 137 Cb 1.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1r80 h ALA 137 CO 0.10 0.59 -0.09 0.93 0.00 0.00 0.00 179.25 180.77 1r80 h GLU 138 N 0.90 0.00 0.00 0.00 4.39 -0.99 0.18 114.58 119.06 1r80 h GLU 138 Ca 0.20 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 1r80 h GLU 138 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1r80 h GLU 138 CO -0.00 0.09 -1.40 1.63 -1.16 0.00 0.00 179.01 178.17 1r80 n LYS 139 N -4.07 0.62 0.00 2.33 5.02 -0.66 -4.69 118.16 116.71 1r80 n LYS 139 Ca -0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1r80 n LYS 139 Cb 0.18 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 1r80 n LYS 139 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r80 n HIS 140 N -2.87 0.00 -3.31 2.13 8.25 -0.50 -4.94 115.22 113.98 1r80 n HIS 140 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 1r80 n HIS 140 Cb 0.83 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.85 1r80 n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1r80 s PHE 141 N -0.88 3.17 -1.33 4.41 5.36 0.59 -1.55 117.98 127.74 1r80 s PHE 141 Ca 0.00 -0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 1r80 s PHE 141 Cb 0.00 -2.88 0.07 0.00 -0.34 0.00 0.00 43.02 39.87 1r80 s PHE 141 CO 0.00 -0.61 0.54 -1.33 -1.46 0.00 0.00 175.22 172.35 1r80 n MET 142 N 5.63 -3.57 -1.76 10.12 2.81 -0.16 -4.83 117.12 125.37 1r80 n MET 142 Ca -0.07 0.50 -0.42 0.00 -1.81 0.00 0.00 57.70 55.90 1r80 n MET 142 Cb 0.48 -5.23 -0.03 0.00 -0.71 0.00 0.00 33.22 27.74 1r80 n MET 142 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r80 s VAL 143 N -2.98 2.25 0.00 2.03 1.01 -1.26 -1.41 120.40 120.03 1r80 s VAL 143 Ca 0.43 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1r80 s VAL 143 Cb -0.22 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1r80 s VAL 143 CO 0.52 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1r80 n GLY 144 N 4.01 2.93 3.81 4.51 0.00 -1.26 -5.07 105.19 114.12 1r80 n GLY 144 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1r80 n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r80 s HIS 145 N -2.66 2.77 -0.04 1.61 4.02 -0.50 -5.06 115.29 115.42 1r80 s HIS 145 Ca 0.00 -0.40 -0.30 0.00 1.02 0.00 0.00 55.06 55.38 1r80 s HIS 145 Cb 0.00 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.58 29.67 1r80 s HIS 145 CO 0.00 0.16 1.22 1.03 1.02 0.00 0.00 174.74 178.17 1r80 s ARG 146 N -3.97 4.35 -0.04 1.40 0.52 -1.21 -4.81 118.95 115.19 1r80 s ARG 146 Ca 0.42 1.71 0.04 0.00 -0.52 0.00 0.00 55.73 57.38 1r80 s ARG 146 Cb -0.03 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 31.89 1r80 s ARG 146 CO 0.25 -0.45 -0.15 0.08 0.02 0.00 0.00 175.30 175.05 1r80 s VAL 147 N 2.15 1.28 -0.22 3.52 1.01 -1.07 -0.63 120.40 126.44 1r80 s VAL 147 Ca 0.57 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1r80 s VAL 147 Cb -0.26 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1r80 s VAL 147 CO 0.23 0.37 -0.04 -2.28 0.00 0.00 0.00 175.10 173.38 1r80 s HIS 148 N 0.01 2.16 0.12 5.22 2.46 -0.18 -1.12 115.29 123.96 1r80 s HIS 148 Ca -0.02 -1.58 -0.24 0.00 0.47 0.00 0.00 55.06 53.69 1r80 s HIS 148 Cb -0.10 -1.49 -0.07 0.00 -0.13 0.00 0.00 32.58 30.79 1r80 s HIS 148 CO 0.01 -0.74 0.74 0.71 -2.47 0.00 0.00 174.74 172.99 1r80 s TYR 149 N 1.48 3.85 -0.25 3.88 1.51 0.70 -1.15 117.35 127.37 1r80 s TYR 149 Ca -0.04 1.53 0.01 0.00 -1.01 0.00 0.00 57.07 57.56 1r80 s TYR 149 Cb -0.18 -2.74 0.06 0.00 -0.11 0.00 0.00 41.96 38.99 1r80 s TYR 149 CO -0.07 0.46 -0.06 0.71 -1.11 0.00 0.00 175.55 175.48 1r80 s TYR 150 N -0.84 2.69 -0.36 2.71 1.51 0.26 -0.71 117.35 122.61 1r80 s TYR 150 Ca 0.35 -1.97 -0.11 0.00 -1.01 0.00 0.00 57.07 54.34 1r80 s TYR 150 Cb -0.22 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1r80 s TYR 150 CO 0.24 -0.81 0.19 0.08 -1.11 0.00 0.00 175.55 174.14 1r80 s VAL 151 N 1.30 4.53 -0.25 0.71 1.01 -0.20 -1.70 120.40 125.79 1r80 s VAL 151 Ca -0.06 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1r80 s VAL 151 Cb -0.19 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1r80 s VAL 151 CO -0.06 -0.19 0.46 -0.36 0.00 0.00 0.00 175.10 174.95 1r80 s PHE 152 N 1.55 3.28 0.10 5.22 0.40 -0.30 -0.56 117.98 127.67 1r80 s PHE 152 Ca 0.02 0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 56.82 1r80 s PHE 152 Cb -0.19 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 40.70 1r80 s PHE 152 CO 0.06 -0.23 0.26 -0.08 0.70 0.00 0.00 175.22 175.93 1r80 s THR 153 N 2.09 0.12 -2.86 0.64 -1.32 -0.60 -0.43 115.64 113.29 1r80 s THR 153 Ca 0.19 -0.97 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 1r80 s THR 153 Cb -0.16 -1.26 0.29 0.00 -1.51 0.00 0.00 72.50 69.86 1r80 s THR 153 CO 0.09 -0.53 1.38 -0.90 -2.21 0.00 0.00 174.62 172.45 1r80 n ASP 154 N -0.06 2.65 -3.26 8.08 5.75 -1.25 -0.64 116.55 127.81 1r80 n ASP 154 Ca -0.16 -1.88 -0.25 0.00 -0.01 0.00 0.00 54.79 52.50 1r80 n ASP 154 Cb 0.63 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 1r80 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r80 n GLN 155 N 1.07 1.32 -0.25 0.11 6.02 -1.26 -4.93 117.38 119.45 1r80 n GLN 155 Ca 0.15 -3.71 0.06 0.00 -0.01 0.00 0.00 57.00 53.50 1r80 n GLN 155 Cb 0.54 -1.57 0.19 0.00 1.02 0.00 0.00 30.24 30.42 1r80 n GLN 155 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1r80 h PRO 156 N 4.03 0.28 0.00 -1.09 0.11 -1.96 0.98 132.00 134.35 1r80 h PRO 156 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1r80 h PRO 156 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1r80 h PRO 156 CO 0.59 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1r80 n ALA 157 N -2.64 1.60 0.97 -0.75 0.00 -1.26 -2.27 120.51 116.15 1r80 n ALA 157 Ca 0.14 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1r80 n ALA 157 Cb 0.46 -1.21 0.20 0.00 0.00 0.00 0.00 19.45 18.91 1r80 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r80 n ALA 158 N -1.47 3.65 -2.01 0.00 0.00 0.34 -4.88 120.51 116.14 1r80 n ALA 158 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1r80 n ALA 158 Cb 0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1r80 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1r80 s VAL 159 N -3.01 3.18 0.59 0.00 1.01 -0.96 -4.96 120.40 116.24 1r80 s VAL 159 Ca 0.10 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 1r80 s VAL 159 Cb 0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1r80 s VAL 159 CO 0.72 0.00 1.17 -2.16 0.00 0.00 0.00 175.10 174.84 1r80 s PRO 160 N 2.38 3.05 -0.83 2.72 0.04 -1.26 -4.95 135.00 136.14 1r80 s PRO 160 Ca 0.71 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 63.24 1r80 s PRO 160 Cb -0.38 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1r80 s PRO 160 CO 0.31 -1.12 1.16 0.50 0.04 0.00 0.00 177.00 177.89 1r80 s ARG 161 N -3.40 3.37 -0.16 4.56 6.06 -1.26 -5.00 118.95 123.13 1r80 s ARG 161 Ca 0.75 -1.10 -0.08 0.00 -2.50 0.00 0.00 55.73 52.80 1r80 s ARG 161 Cb -0.27 -4.67 -0.04 0.00 0.06 0.00 0.00 34.95 30.02 1r80 s ARG 161 CO 0.32 -1.93 0.12 0.08 -2.50 0.00 0.00 175.30 171.39 1r80 s VAL 162 N 4.07 5.33 -0.03 7.11 1.01 -1.26 -5.07 120.40 131.56 1r80 s VAL 162 Ca 0.32 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1r80 s VAL 162 Cb -0.08 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1r80 s VAL 162 CO 0.01 0.53 1.12 -0.89 0.00 0.00 0.00 175.10 175.87 1r80 s THR 163 N -0.32 4.43 0.06 3.92 2.01 -1.26 -5.03 115.64 119.44 1r80 s THR 163 Ca 0.11 1.74 0.04 0.00 0.31 0.00 0.00 61.69 63.88 1r80 s THR 163 Cb -0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1r80 s THR 163 CO 0.01 0.05 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.23 1r80 s LEU 164 N 1.70 3.45 0.94 4.42 1.43 -1.26 -5.01 118.68 124.36 1r80 s LEU 164 Ca 0.54 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1r80 s LEU 164 Cb -0.24 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.03 1r80 s LEU 164 CO 0.24 0.22 1.11 -0.83 0.23 0.00 0.00 176.35 177.31 1r80 s GLY 165 N -2.01 1.58 0.53 -3.19 0.00 -1.26 -4.95 107.32 98.02 1r80 s GLY 165 Ca 0.23 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.37 1r80 s GLY 165 CO 0.15 0.19 1.30 -1.08 0.00 0.00 0.00 173.10 173.66 1r80 s THR 166 N -3.09 2.39 -0.04 0.90 -1.32 -1.26 -2.84 115.64 110.38 1r80 s THR 166 Ca 0.64 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 1r80 s THR 166 Cb -0.17 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1r80 s THR 166 CO 0.56 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1r80 n GLY 167 N 0.64 0.45 3.19 6.08 0.00 -1.26 -4.97 105.19 109.31 1r80 n GLY 167 Ca 0.10 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1r80 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r80 s ARG 168 N -0.55 1.75 0.08 1.61 0.52 -1.13 -2.60 118.95 118.62 1r80 s ARG 168 Ca 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1r80 s ARG 168 Cb 0.00 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 1r80 s ARG 168 CO 0.00 0.36 -0.04 1.14 0.02 0.00 0.00 175.30 176.78 1r80 s GLN 169 N -0.27 0.73 -0.04 3.54 -2.07 -0.28 -4.79 119.66 116.48 1r80 s GLN 169 Ca 0.03 -1.29 0.02 0.00 -1.82 0.00 0.00 55.36 52.30 1r80 s GLN 169 Cb -0.09 0.03 0.01 0.00 -1.09 0.00 0.00 33.01 31.87 1r80 s GLN 169 CO 0.01 -0.08 -0.08 -1.17 -1.32 0.00 0.00 175.29 172.64 1r80 s LEU 170 N -2.98 1.63 -0.07 2.60 0.20 -1.26 -0.22 118.68 118.58 1r80 s LEU 170 Ca 0.10 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.79 1r80 s LEU 170 Cb 0.07 -0.56 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 1r80 s LEU 170 CO -0.07 0.02 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.35 1r80 s SER 171 N 0.48 3.28 -0.23 3.68 0.01 0.11 -4.95 113.70 116.08 1r80 s SER 171 Ca -0.08 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 1r80 s SER 171 Cb -0.11 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 1r80 s SER 171 CO 0.01 0.24 0.10 -0.69 0.41 0.00 0.00 173.24 173.32 1r80 s VAL 172 N -0.15 4.79 -0.24 3.43 1.01 -1.26 -1.04 120.40 126.93 1r80 s VAL 172 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1r80 s VAL 172 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.04 1r80 s VAL 172 CO 0.04 0.36 -0.07 -0.76 0.00 0.00 0.00 175.10 174.67 1r80 s LEU 173 N 1.21 3.14 0.16 3.92 2.01 0.27 -4.96 118.68 124.44 1r80 s LEU 173 Ca 0.06 -0.86 -0.30 0.00 0.01 0.00 0.00 54.13 53.04 1r80 s LEU 173 Cb -0.14 -1.66 -0.08 0.00 0.01 0.00 0.00 46.19 44.32 1r80 s LEU 173 CO 0.04 -0.12 1.16 -0.70 1.01 0.00 0.00 176.35 177.75 1r80 s GLU 174 N 1.32 4.52 0.47 1.70 2.12 -1.26 -1.55 118.70 126.02 1r80 s GLU 174 Ca 0.00 1.81 0.06 0.00 0.36 0.00 0.00 54.97 57.20 1r80 s GLU 174 Cb -0.16 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1r80 s GLU 174 CO -0.05 -0.06 0.25 0.14 -0.54 0.00 0.00 175.26 175.01 1r80 s VAL 175 N 0.05 2.00 0.00 3.70 -7.23 0.18 -4.43 120.40 114.67 1r80 s VAL 175 Ca 0.52 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1r80 s VAL 175 Cb -0.31 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1r80 s VAL 175 CO 0.35 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1r80 n GLY 176 N -1.44 0.00 0.00 2.32 0.00 -1.26 -4.63 105.19 100.18 1r80 n GLY 176 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1r80 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r80 n ALA 177 N 0.00 0.00 -2.09 4.61 0.00 -1.26 -5.25 120.51 116.52 1r80 n ALA 177 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1r80 n ALA 177 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1r80 n ALA 177 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1r80 s TYR 178 N 0.00 3.47 -0.18 0.00 1.13 -1.26 -5.19 117.35 115.32 1r80 s TYR 178 Ca 0.00 1.32 -0.04 0.00 -1.41 0.00 0.00 57.07 56.93 1r80 s TYR 178 Cb 0.00 -2.60 0.09 0.00 -1.10 0.00 0.00 41.96 38.35 1r80 s TYR 178 CO 0.00 0.17 0.29 0.00 -2.51 0.00 0.00 175.55 173.50 1r80 h GLU 197 N 8.26 0.00 0.00 0.00 3.07 -2.06 -3.09 114.58 120.76 1r80 h GLU 197 Ca -0.16 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 1r80 h GLU 197 Cb 1.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1r80 h GLU 197 CO 0.20 0.00 -0.12 0.00 -1.40 0.00 0.00 179.01 177.69 1r80 h ARG 198 N 0.00 0.00 0.12 2.33 -0.00 -2.04 -2.88 114.38 111.91 1r80 h ARG 198 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1r80 h ARG 198 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.79 1r80 h ARG 198 CO 0.00 0.12 -0.06 -0.09 0.00 0.00 0.00 179.97 179.94 1r80 h ARG 199 N 0.00 -0.16 -0.82 0.04 9.65 -1.98 -2.76 114.38 118.36 1r80 h ARG 199 Ca -0.00 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.99 1r80 h ARG 199 Cb 0.58 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.12 1r80 h ARG 199 CO 0.02 -0.08 0.45 0.74 2.80 0.00 0.00 179.97 183.90 1r80 h PHE 200 N -0.19 0.82 -0.43 2.20 0.05 -1.69 -1.32 116.94 116.37 1r80 h PHE 200 Ca -0.02 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.85 1r80 h PHE 200 Cb 0.15 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 1r80 h PHE 200 CO -0.06 0.31 0.29 -0.07 -0.18 0.00 0.00 178.31 178.60 1r80 h LEU 201 N 0.74 0.34 -0.27 1.54 3.38 -1.51 -1.91 115.31 117.64 1r80 h LEU 201 Ca 0.40 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1r80 h LEU 201 Cb 0.41 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r80 h LEU 201 CO -0.27 0.23 -0.70 -1.54 0.09 0.00 0.00 178.44 176.25 1r80 n SER 202 N -4.48 1.11 -0.04 -0.43 3.41 -0.60 -4.55 113.62 108.05 1r80 n SER 202 Ca 0.05 -0.94 -0.02 0.00 -0.26 0.00 0.00 58.87 57.71 1r80 n SER 202 Cb 0.21 0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 64.71 1r80 n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r80 n GLU 203 N -1.09 1.68 -4.16 4.33 1.02 -0.60 -5.06 120.64 116.76 1r80 n GLU 203 Ca 0.06 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1r80 n GLU 203 Cb 0.36 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 1r80 n GLU 203 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1r80 s VAL 204 N -2.42 0.47 -0.16 2.62 -7.23 -0.76 -4.94 120.40 107.98 1r80 s VAL 204 Ca -0.05 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1r80 s VAL 204 Cb 0.04 -1.81 -0.23 0.00 0.56 0.00 0.00 36.38 34.95 1r80 s VAL 204 CO 0.43 -0.74 0.18 0.47 -0.31 0.00 0.00 175.10 175.13 1r80 n ASP 205 N -0.06 1.12 -4.17 4.85 8.00 0.05 -4.66 116.55 121.68 1r80 n ASP 205 Ca -0.10 0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 1r80 n ASP 205 Cb 0.62 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 1r80 n ASP 205 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r80 s TYR 206 N -2.54 1.18 -0.08 1.24 1.51 -1.10 -3.04 117.35 114.51 1r80 s TYR 206 Ca -0.18 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.44 1r80 s TYR 206 Cb 0.07 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1r80 s TYR 206 CO 0.76 0.05 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.51 1r80 s LEU 207 N -1.87 2.04 -0.16 -1.29 1.43 0.56 -0.37 118.68 119.01 1r80 s LEU 207 Ca -0.01 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1r80 s LEU 207 Cb -0.09 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.82 1r80 s LEU 207 CO 0.02 0.18 -0.21 -0.69 0.23 0.00 0.00 176.35 175.88 1r80 s VAL 208 N 0.19 2.04 -0.25 -1.59 1.01 0.51 -1.34 120.40 120.98 1r80 s VAL 208 Ca -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1r80 s VAL 208 Cb -0.16 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1r80 s VAL 208 CO 0.07 0.54 -0.01 0.00 0.00 0.00 0.00 175.10 175.70 1r80 s VAL 210 N 1.45 0.72 0.47 0.00 -7.23 -1.04 -2.05 120.40 112.72 1r80 s VAL 210 Ca 0.03 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 1r80 s VAL 210 Cb -0.16 -2.21 -0.09 0.00 0.56 0.00 0.00 36.38 34.48 1r80 s VAL 210 CO -0.02 -0.40 0.98 -1.81 -0.31 0.00 0.00 175.10 173.54 1r80 s ASP 211 N -3.21 6.71 0.09 4.85 1.01 -0.96 -4.50 116.67 120.67 1r80 s ASP 211 Ca 0.26 1.68 0.16 0.00 0.71 0.00 0.00 52.55 55.37 1r80 s ASP 211 Cb 0.06 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.35 1r80 s ASP 211 CO 0.06 -0.52 0.91 1.62 0.21 0.00 0.00 175.17 177.45 1r80 h VAL 212 N 1.47 0.58 0.00 -1.27 3.04 -1.94 -3.38 116.25 114.75 1r80 h VAL 212 Ca -0.48 -2.08 -0.60 0.00 -1.01 0.00 0.00 66.70 62.53 1r80 h VAL 212 Cb 1.19 2.11 0.02 0.00 -2.01 0.00 0.00 31.29 32.60 1r80 h VAL 212 CO 0.61 0.33 3.38 -0.90 -1.01 0.00 0.00 177.57 179.98 1r80 n ASP 213 N -2.95 8.09 -3.90 3.17 3.85 -1.26 -4.70 116.55 118.85 1r80 n ASP 213 Ca -0.08 -2.53 -0.12 0.00 -0.71 0.00 0.00 54.79 51.34 1r80 n ASP 213 Cb 0.83 -1.50 -0.08 0.00 -1.35 0.00 0.00 41.12 39.03 1r80 n ASP 213 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1r80 s MET 214 N 2.19 1.47 -0.07 0.11 -1.94 -1.26 -2.50 119.30 117.30 1r80 s MET 214 Ca 0.67 -1.59 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 1r80 s MET 214 Cb 0.18 0.36 0.03 0.00 2.01 0.00 0.00 34.83 37.41 1r80 s MET 214 CO -0.05 -0.55 0.35 -1.83 -0.01 0.00 0.00 175.02 172.92 1r80 s GLU 215 N -3.87 0.57 0.02 2.03 -1.05 -0.45 -4.08 118.70 111.87 1r80 s GLU 215 Ca 0.33 0.14 -0.22 0.00 -0.15 0.00 0.00 54.97 55.07 1r80 s GLU 215 Cb 0.03 0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.93 1r80 s GLU 215 CO 0.14 -0.13 0.67 -0.06 0.95 0.00 0.00 175.26 176.83 1r80 s PHE 216 N -0.62 3.72 -0.05 4.83 0.40 -1.26 -1.52 117.98 123.47 1r80 s PHE 216 Ca -0.07 1.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.60 1r80 s PHE 216 Cb -0.04 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 1r80 s PHE 216 CO 0.03 0.34 0.06 0.54 0.70 0.00 0.00 175.22 176.88 1r80 n ARG 217 N 2.67 4.20 -3.87 0.44 1.74 0.98 -4.83 116.66 117.99 1r80 n ARG 217 Ca -0.05 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 1r80 n ARG 217 Cb 0.51 -0.74 -0.00 0.00 -1.02 0.00 0.00 32.46 31.20 1r80 n ARG 217 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1r80 s ASP 218 N -1.52 0.02 -0.08 0.55 -1.08 -1.05 -4.90 116.67 108.61 1r80 s ASP 218 Ca 0.00 -1.02 -0.39 0.00 -0.52 0.00 0.00 52.55 50.63 1r80 s ASP 218 Cb 0.01 0.78 -0.17 0.00 -1.46 0.00 0.00 42.92 42.08 1r80 s ASP 218 CO 0.07 -1.51 1.50 1.57 0.52 0.00 0.00 175.17 177.32 1r80 n HIS 219 N -0.50 1.70 -3.65 -5.34 -0.00 -1.26 -4.76 115.22 101.40 1r80 n HIS 219 Ca -0.06 0.63 -0.29 0.00 -0.00 0.00 0.00 57.72 58.00 1r80 n HIS 219 Cb 0.60 -2.37 -0.15 0.00 -0.00 0.00 0.00 29.99 28.07 1r80 n HIS 219 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1r80 s VAL 220 N 1.78 0.46 0.00 3.57 1.01 -0.60 -4.87 120.40 121.74 1r80 s VAL 220 Ca 0.91 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1r80 s VAL 220 Cb -1.03 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1r80 s VAL 220 CO 0.56 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1r80 n GLY 221 N 5.03 6.57 0.03 4.51 0.00 -1.26 -0.99 105.19 119.08 1r80 n GLY 221 Ca -0.04 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.22 1r80 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r80 n VAL 222 N 0.00 1.74 0.32 1.61 0.24 -1.26 -2.11 118.33 118.88 1r80 n VAL 222 Ca 0.00 0.51 0.21 0.00 -2.04 0.00 0.00 64.34 63.02 1r80 n VAL 222 Cb 0.00 -1.48 1.10 0.00 -1.47 0.00 0.00 33.84 31.99 1r80 n VAL 222 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1r80 h GLU 223 N 0.00 0.00 0.00 7.34 9.09 -1.95 -1.79 114.58 127.27 1r80 h GLU 223 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r80 h GLU 223 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1r80 h GLU 223 CO 0.00 0.00 -0.73 -0.84 0.05 0.00 0.00 179.01 177.49 1r80 h ILE 224 N 0.00 0.00 -3.13 -1.06 3.07 -1.84 -3.47 117.51 111.07 1r80 h ILE 224 Ca 0.00 -0.80 -0.53 0.00 1.55 0.00 0.00 64.86 65.08 1r80 h ILE 224 Cb 0.08 1.40 0.03 0.00 -0.27 0.00 0.00 36.82 38.07 1r80 h ILE 224 CO 0.00 0.00 0.72 -0.76 -1.05 0.00 0.00 178.15 177.06 1r80 s LEU 225 N -5.04 4.38 0.02 0.16 1.43 -0.68 -4.88 118.68 114.09 1r80 s LEU 225 Ca 0.03 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 1r80 s LEU 225 Cb 0.10 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.84 1r80 s LEU 225 CO 0.75 -0.64 1.22 0.28 0.23 0.00 0.00 176.35 178.19 1r80 s THR 226 N 0.72 0.00 0.28 5.49 -1.32 -1.26 -5.05 115.64 114.49 1r80 s THR 226 Ca 0.62 -0.32 -0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1r80 s THR 226 Cb -0.38 -2.00 0.28 0.00 -1.51 0.00 0.00 72.50 68.89 1r80 s THR 226 CO 0.34 0.00 1.85 -0.65 -2.21 0.00 0.00 174.62 173.95 1r80 h PRO 227 N 2.00 1.04 -2.40 7.08 0.11 -1.93 -3.15 132.00 134.75 1r80 h PRO 227 Ca -0.29 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1r80 h PRO 227 Cb 1.21 -0.23 -0.25 0.00 0.11 0.00 0.00 31.00 31.83 1r80 h PRO 227 CO 0.28 0.69 -0.27 -1.17 -0.21 0.00 0.00 178.00 177.32 1r80 s LEU 228 N -10.20 -0.64 0.07 2.35 2.96 -1.26 -0.92 118.68 111.03 1r80 s LEU 228 Ca -0.12 1.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1r80 s LEU 228 Cb 0.21 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1r80 s LEU 228 CO 0.81 -0.22 -0.10 0.72 -1.32 0.00 0.00 176.35 176.24 1r80 s PHE 229 N 2.26 0.96 0.26 5.38 -0.12 -0.03 0.50 117.98 127.19 1r80 s PHE 229 Ca -0.05 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.33 1r80 s PHE 229 Cb -0.10 -0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 41.69 1r80 s PHE 229 CO -0.15 -0.02 -0.03 0.20 -0.05 0.00 0.00 175.22 175.18 1r80 s GLY 230 N -1.93 1.74 -0.05 1.99 0.00 -1.18 -2.43 107.32 105.46 1r80 s GLY 230 Ca -0.02 -1.86 0.05 0.00 0.00 0.00 0.00 44.72 42.89 1r80 s GLY 230 CO 0.01 -1.77 -0.21 -1.59 0.00 0.00 0.00 173.10 169.54 1r80 s THR 231 N -3.21 1.74 0.05 0.90 2.01 -1.22 -0.78 115.64 115.13 1r80 s THR 231 Ca 0.30 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 1r80 s THR 231 Cb 0.05 -1.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.01 1r80 s THR 231 CO 0.11 0.49 1.59 -0.76 -0.69 0.00 0.00 174.62 175.35 1r80 s LEU 232 N -0.06 4.35 0.16 4.42 1.43 -0.31 -1.04 118.68 127.65 1r80 s LEU 232 Ca -0.04 2.38 -0.32 0.00 -1.03 0.00 0.00 54.13 55.13 1r80 s LEU 232 Cb -0.13 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1r80 s LEU 232 CO 0.03 -0.84 1.61 -2.28 0.23 0.00 0.00 176.35 175.09 1r80 s HIS 233 N 2.61 2.97 0.66 0.29 5.65 -0.50 -4.31 115.29 122.66 1r80 s HIS 233 Ca 0.71 0.54 0.43 0.00 0.25 0.00 0.00 55.06 56.99 1r80 s HIS 233 Cb -0.37 -3.97 2.36 0.00 -1.18 0.00 0.00 32.58 29.41 1r80 s HIS 233 CO 0.31 -3.64 2.35 -1.00 -0.65 0.00 0.00 174.74 172.10 1r80 h PRO 234 N 6.95 0.00 0.00 2.88 0.13 -1.91 -2.44 132.00 137.61 1r80 h PRO 234 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r80 h PRO 234 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r80 h PRO 234 CO 0.92 0.00 -0.65 0.77 -0.23 0.00 0.00 178.00 178.81 1r80 h SER 235 N 0.00 0.00 0.00 1.44 0.02 -1.93 -3.39 113.55 109.68 1r80 h SER 235 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1r80 h SER 235 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1r80 h SER 235 CO -0.00 0.08 0.00 0.49 -1.14 0.00 0.00 176.83 176.26 1r80 n PHE 236 N -2.28 0.00 0.30 3.45 3.01 -0.94 -4.78 117.46 116.23 1r80 n PHE 236 Ca 0.03 -0.31 0.17 0.00 1.01 0.00 0.00 57.45 58.35 1r80 n PHE 236 Cb 0.47 -0.03 0.96 0.00 -0.01 0.00 0.00 39.48 40.86 1r80 n PHE 236 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1r80 h TYR 237 N 0.00 0.00 -0.25 1.38 -0.00 -1.71 -1.78 116.97 114.60 1r80 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1r80 h TYR 237 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.27 1r80 h TYR 237 CO 0.00 0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.60 1r80 n GLY 238 N -1.03 3.55 3.95 0.10 0.00 -1.26 -5.02 105.19 105.47 1r80 n GLY 238 Ca -0.03 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1r80 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r80 s SER 239 N -1.58 6.30 0.47 1.61 0.01 -0.67 -5.10 113.70 114.75 1r80 s SER 239 Ca 0.31 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.73 1r80 s SER 239 Cb 0.23 -1.98 -0.08 0.00 0.21 0.00 0.00 66.02 64.40 1r80 s SER 239 CO 0.10 -0.22 0.94 -0.94 0.41 0.00 0.00 173.24 173.53 1r80 s SER 240 N -4.01 6.69 0.50 2.44 1.04 -1.26 -4.95 113.70 114.15 1r80 s SER 240 Ca 0.38 1.53 0.19 0.00 0.48 0.00 0.00 55.95 58.53 1r80 s SER 240 Cb -0.09 -2.49 1.25 0.00 0.10 0.00 0.00 66.02 64.79 1r80 s SER 240 CO 0.34 -0.49 2.05 0.08 0.98 0.00 0.00 173.24 176.19 1r80 h ARG 241 N 1.25 0.11 0.00 4.02 0.11 -1.92 -0.73 114.38 117.22 1r80 h ARG 241 Ca -0.47 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 1r80 h ARG 241 Cb 1.18 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 1r80 h ARG 241 CO 0.62 0.07 -0.04 1.05 0.10 0.00 0.00 179.97 181.77 1r80 h GLU 242 N 0.11 0.00 0.00 0.08 4.11 -1.92 -1.41 114.58 115.55 1r80 h GLU 242 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1r80 h GLU 242 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1r80 h GLU 242 CO -0.02 0.04 -0.22 0.00 0.07 0.00 0.00 179.01 178.88 1r80 h ALA 243 N 1.96 0.86 -2.58 1.06 0.00 -1.50 -3.46 119.26 115.59 1r80 h ALA 243 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1r80 h ALA 243 Cb 0.07 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.94 1r80 h ALA 243 CO 0.01 0.00 0.77 1.19 0.00 0.00 0.00 179.25 181.22 1r80 n PHE 244 N -2.41 2.56 -1.13 0.00 0.99 -0.53 -4.86 117.46 112.08 1r80 n PHE 244 Ca 0.04 0.32 -0.17 0.00 -0.00 0.00 0.00 57.45 57.65 1r80 n PHE 244 Cb 0.46 -2.54 -0.11 0.00 -1.00 0.00 0.00 39.48 36.29 1r80 n PHE 244 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1r80 n THR 245 N 2.10 3.03 -1.14 4.37 -2.24 -1.26 -4.93 114.28 114.20 1r80 n THR 245 Ca 0.10 -1.95 -0.30 0.00 -2.27 0.00 0.00 64.05 59.63 1r80 n THR 245 Cb 0.34 -1.80 0.15 0.00 -2.10 0.00 0.00 70.33 66.93 1r80 n THR 245 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r80 s TYR 246 N -0.13 2.21 -0.01 4.78 4.12 -1.26 -4.79 117.35 122.28 1r80 s TYR 246 Ca 0.58 1.24 -0.30 0.00 0.02 0.00 0.00 57.07 58.61 1r80 s TYR 246 Cb 0.32 -3.18 -0.05 0.00 -1.52 0.00 0.00 41.96 37.53 1r80 s TYR 246 CO -0.08 -2.56 1.26 -2.00 0.02 0.00 0.00 175.55 172.20 1r80 s GLU 247 N -4.90 4.35 0.00 -0.62 2.56 -1.26 -4.91 118.70 113.92 1r80 s GLU 247 Ca 0.64 1.79 0.18 0.00 0.00 0.00 0.00 54.97 57.58 1r80 s GLU 247 Cb -0.19 -3.50 0.13 0.00 2.00 0.00 0.00 34.13 32.57 1r80 s GLU 247 CO 0.57 -0.44 1.05 0.54 -0.56 0.00 0.00 175.26 176.43 1r80 n ARG 248 N 4.91 1.51 -3.16 4.30 5.12 -1.26 -1.67 116.66 126.42 1r80 n ARG 248 Ca 0.11 -1.51 -0.40 0.00 -1.93 0.00 0.00 57.85 54.12 1r80 n ARG 248 Cb 0.45 -1.34 -0.07 0.00 -1.16 0.00 0.00 32.46 30.35 1r80 n ARG 248 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1r80 s ARG 249 N -1.55 4.12 0.63 5.56 0.52 -1.26 -4.86 118.95 122.11 1r80 s ARG 249 Ca 0.20 0.48 0.33 0.00 -0.52 0.00 0.00 55.73 56.22 1r80 s ARG 249 Cb 0.15 -3.63 1.83 0.00 0.52 0.00 0.00 34.95 33.82 1r80 s ARG 249 CO 0.24 -0.35 2.11 -1.35 0.02 0.00 0.00 175.30 175.98 1r80 h PRO 250 N 7.84 0.00 0.00 3.54 0.11 -1.97 -1.16 132.00 140.36 1r80 h PRO 250 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1r80 h PRO 250 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1r80 h PRO 250 CO 0.75 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.58 1r80 n GLN 251 N -3.39 0.04 -3.94 1.05 3.00 -1.26 -4.74 117.38 108.15 1r80 n GLN 251 Ca -0.00 0.24 -0.35 0.00 -0.01 0.00 0.00 57.00 56.88 1r80 n GLN 251 Cb 0.29 -1.58 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 1r80 n GLN 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1r80 s SER 252 N -3.28 6.24 0.59 1.08 0.15 -0.44 -4.97 113.70 113.08 1r80 s SER 252 Ca 0.08 0.37 0.36 0.00 0.70 0.00 0.00 55.95 57.45 1r80 s SER 252 Cb 0.11 -1.96 1.77 0.00 -1.71 0.00 0.00 66.02 64.23 1r80 s SER 252 CO 0.34 0.33 2.15 1.56 1.20 0.00 0.00 173.24 178.82 1r80 h GLN 253 N 4.42 0.00 -0.21 5.44 1.08 -1.85 -1.81 115.11 122.18 1r80 h GLN 253 Ca -0.52 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1r80 h GLN 253 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1r80 h GLN 253 CO 0.63 0.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.54 1r80 n ALA 254 N -2.14 2.50 -1.67 3.87 0.00 -1.26 -4.95 120.51 116.86 1r80 n ALA 254 Ca -0.01 -0.52 -0.46 0.00 0.00 0.00 0.00 53.44 52.45 1r80 n ALA 254 Cb 0.20 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1r80 n ALA 254 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1r80 n TYR 255 N 0.31 2.18 -3.62 0.00 9.36 -0.68 -4.22 117.16 120.49 1r80 n TYR 255 Ca 0.14 0.37 -0.21 0.00 3.32 0.00 0.00 57.90 61.53 1r80 n TYR 255 Cb 0.30 -2.49 -0.16 0.00 -0.63 0.00 0.00 39.34 36.36 1r80 n TYR 255 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r80 s ILE 256 N 0.38 -0.18 0.84 2.97 1.01 -0.67 -5.00 121.20 120.55 1r80 s ILE 256 Ca 0.73 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.42 1r80 s ILE 256 Cb -0.68 -0.40 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1r80 s ILE 256 CO 0.44 -0.03 1.11 -2.16 0.00 0.00 0.00 174.94 174.30 1r80 s PRO 257 N 2.22 1.70 0.61 2.79 0.04 -1.26 -4.63 135.00 136.47 1r80 s PRO 257 Ca 0.04 1.26 0.32 0.00 0.04 0.00 0.00 61.00 62.66 1r80 s PRO 257 Cb -0.14 -1.83 1.85 0.00 0.04 0.00 0.00 34.50 34.43 1r80 s PRO 257 CO -0.07 -2.06 2.19 0.87 0.04 0.00 0.00 177.00 177.97 1r80 h LYS 258 N -1.44 0.00 -0.57 4.56 1.79 -1.96 -1.90 116.57 117.04 1r80 h LYS 258 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1r80 h LYS 258 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1r80 h LYS 258 CO 0.48 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.45 1r80 n ASP 259 N -3.63 3.16 -4.40 0.86 5.75 -1.26 -4.37 116.55 112.66 1r80 n ASP 259 Ca -0.01 -2.15 -0.21 0.00 -0.01 0.00 0.00 54.79 52.41 1r80 n ASP 259 Cb 0.20 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 39.77 1r80 n ASP 259 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1r80 s GLU 260 N -1.52 1.47 0.00 0.11 2.02 -0.72 -5.11 118.70 114.96 1r80 s GLU 260 Ca 0.36 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1r80 s GLU 260 Cb 0.21 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 33.10 1r80 s GLU 260 CO 0.21 0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1r80 n GLY 261 N -0.49 3.70 0.10 -1.39 0.00 -1.26 -4.82 105.19 101.03 1r80 n GLY 261 Ca -0.07 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1r80 n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r80 n ASP 262 N 0.00 1.92 -4.10 1.61 8.00 -1.26 -4.94 116.55 117.78 1r80 n ASP 262 Ca 0.00 0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.78 1r80 n ASP 262 Cb 0.00 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 40.22 1r80 n ASP 262 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1r80 s PHE 263 N -2.65 0.77 -0.34 1.24 0.40 -1.26 -4.98 117.98 111.16 1r80 s PHE 263 Ca -0.30 -1.07 -0.09 0.00 -0.60 0.00 0.00 56.93 54.88 1r80 s PHE 263 Cb 0.07 -0.22 0.02 0.00 0.51 0.00 0.00 43.02 43.40 1r80 s PHE 263 CO 0.43 -0.78 0.14 -0.47 0.70 0.00 0.00 175.22 175.24 1r80 s TYR 264 N -4.08 3.21 0.10 0.36 5.04 -1.26 -5.04 117.35 115.68 1r80 s TYR 264 Ca 0.30 -1.04 -0.14 0.00 -2.44 0.00 0.00 57.07 53.75 1r80 s TYR 264 Cb 0.04 -2.34 -0.06 0.00 0.35 0.00 0.00 41.96 39.94 1r80 s TYR 264 CO 0.09 -0.63 0.51 0.71 -1.34 0.00 0.00 175.55 174.89 1r80 s TYR 265 N 1.51 3.66 -0.06 4.97 1.51 -1.26 -1.41 117.35 126.26 1r80 s TYR 265 Ca 0.01 1.04 -0.16 0.00 -1.01 0.00 0.00 57.07 56.95 1r80 s TYR 265 Cb -0.18 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1r80 s TYR 265 CO 0.05 0.50 0.43 1.41 -1.11 0.00 0.00 175.55 176.83 1r80 s MET 266 N -1.67 4.15 0.00 -0.62 1.75 -0.20 -4.74 119.30 117.96 1r80 s MET 266 Ca 0.33 0.41 0.18 0.00 -1.25 0.00 0.00 55.69 55.37 1r80 s MET 266 Cb -0.16 -3.33 1.05 0.00 2.84 0.00 0.00 34.83 35.23 1r80 s MET 266 CO 0.18 0.42 1.52 0.41 -0.65 0.00 0.00 175.02 176.90 1r80 n GLY 267 N 2.59 -0.67 0.03 2.11 0.00 -1.26 -3.39 105.19 104.60 1r80 n GLY 267 Ca -0.11 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 45.96 1r80 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r80 n ALA 268 N -1.09 2.60 -3.15 4.61 0.00 -1.26 -4.67 120.51 117.55 1r80 n ALA 268 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1r80 n ALA 268 Cb 0.09 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 1r80 n ALA 268 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r80 s PHE 269 N -2.38 -1.60 0.22 0.00 5.99 -1.22 -2.25 117.98 116.74 1r80 s PHE 269 Ca 0.34 1.15 -0.11 0.00 0.00 0.00 0.00 56.93 58.32 1r80 s PHE 269 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 43.02 43.58 1r80 s PHE 269 CO 0.44 -0.91 0.40 -0.59 -0.00 0.00 0.00 175.22 174.55 1r80 s PHE 270 N 2.86 0.47 -1.80 10.12 -0.12 -0.87 -3.44 117.98 125.20 1r80 s PHE 270 Ca 0.14 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 1r80 s PHE 270 Cb -0.11 0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.33 1r80 s PHE 270 CO -0.24 -0.89 0.00 0.41 -0.05 0.00 0.00 175.22 174.45 1r80 n GLY 271 N -0.34 -0.72 0.00 1.99 0.00 -1.02 -0.50 105.19 104.61 1r80 n GLY 271 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1r80 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r80 n GLY 272 N 0.00 0.27 3.75 -0.02 0.00 -0.45 -0.85 105.19 107.89 1r80 n GLY 272 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1r80 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r80 s SER 273 N -4.00 4.27 0.19 1.61 1.04 -0.10 -0.32 113.70 116.39 1r80 s SER 273 Ca 0.00 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 1r80 s SER 273 Cb 0.00 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.77 1r80 s SER 273 CO 0.00 -2.19 1.80 0.58 0.98 0.00 0.00 173.24 174.40 1r80 h VAL 274 N -1.03 0.97 -0.42 5.02 2.07 -1.86 -1.02 116.25 119.98 1r80 h VAL 274 Ca -0.44 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1r80 h VAL 274 Cb 1.24 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1r80 h VAL 274 CO 0.50 0.11 0.24 -0.61 0.02 0.00 0.00 177.57 177.82 1r80 h GLN 275 N 0.60 0.46 -0.33 1.57 4.15 -1.91 -0.75 115.11 118.90 1r80 h GLN 275 Ca 0.26 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 1r80 h GLN 275 Cb 0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1r80 h GLN 275 CO -0.17 0.31 -0.32 0.93 -1.93 0.00 0.00 178.83 177.65 1r80 h GLU 276 N 0.48 0.71 -0.43 1.69 4.39 -1.72 -1.26 114.58 118.44 1r80 h GLU 276 Ca 0.17 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 1r80 h GLU 276 Cb 0.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1r80 h GLU 276 CO -0.09 0.93 -0.23 0.28 -1.16 0.00 0.00 179.01 178.75 1r80 h VAL 277 N 0.60 1.27 -0.16 3.13 2.07 -0.97 -1.41 116.25 120.79 1r80 h VAL 277 Ca 0.07 -1.37 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 1r80 h VAL 277 Cb 0.83 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1r80 h VAL 277 CO 0.07 0.46 -0.45 1.56 0.02 0.00 0.00 177.57 179.24 1r80 h GLN 278 N 0.76 0.39 -0.45 1.57 4.20 -1.00 -0.54 115.11 120.04 1r80 h GLN 278 Ca 0.10 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1r80 h GLN 278 Cb 0.77 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1r80 h GLN 278 CO 0.06 0.77 0.13 0.00 -0.67 0.00 0.00 178.83 179.12 1r80 h ARG 279 N 0.32 0.70 0.03 1.46 3.08 -0.98 -0.36 114.38 118.64 1r80 h ARG 279 Ca 0.02 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1r80 h ARG 279 Cb 0.91 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1r80 h ARG 279 CO 0.08 0.68 -0.02 1.25 -1.07 0.00 0.00 179.97 180.89 1r80 h LEU 280 N 0.59 -0.04 -1.11 3.04 6.46 -0.98 -1.02 115.31 122.26 1r80 h LEU 280 Ca 0.14 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1r80 h LEU 280 Cb 0.28 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1r80 h LEU 280 CO -0.00 0.09 0.10 0.71 -0.62 0.00 0.00 178.44 178.72 1r80 h THR 281 N -0.17 1.21 -0.47 1.05 1.35 -1.00 -0.50 112.91 114.38 1r80 h THR 281 Ca -0.00 -0.78 -0.13 0.00 -0.55 0.00 0.00 66.41 64.94 1r80 h THR 281 Cb 0.15 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1r80 h THR 281 CO 0.01 0.29 -0.22 -0.09 -0.25 0.00 0.00 175.52 175.25 1r80 h ARG 282 N 0.70 0.98 -0.40 4.72 2.43 -0.93 -0.37 114.38 121.50 1r80 h ARG 282 Ca 0.16 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1r80 h ARG 282 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1r80 h ARG 282 CO 0.00 1.09 0.09 0.00 -1.51 0.00 0.00 179.97 179.64 1r80 h ALA 283 N 0.89 0.53 -0.47 2.80 0.00 -0.69 -1.83 119.26 120.49 1r80 h ALA 283 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1r80 h ALA 283 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1r80 h ALA 283 CO 0.07 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.42 1r80 h HIS 285 N 0.76 0.63 -0.56 0.00 6.17 -0.95 -0.12 115.15 121.08 1r80 h HIS 285 Ca 0.12 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.11 1r80 h HIS 285 Cb 0.67 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.37 1r80 h HIS 285 CO 0.05 0.38 -0.06 1.96 0.71 0.00 0.00 177.93 180.97 1r80 h GLN 286 N 0.68 1.04 -0.40 5.26 4.20 -1.22 -2.10 115.11 122.56 1r80 h GLN 286 Ca 0.21 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1r80 h GLN 286 Cb -0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1r80 h GLN 286 CO -0.07 1.05 -0.13 0.00 -0.67 0.00 0.00 178.83 179.01 1r80 h ALA 287 N 0.95 1.04 -0.14 3.87 0.00 -0.91 -2.09 119.26 121.98 1r80 h ALA 287 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1r80 h ALA 287 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1r80 h ALA 287 CO 0.04 0.58 -0.47 0.52 0.00 0.00 0.00 179.25 179.92 1r80 h MET 288 N 0.65 0.34 -0.52 0.00 2.86 -0.89 -1.86 114.93 115.51 1r80 h MET 288 Ca 0.11 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1r80 h MET 288 Cb 0.58 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1r80 h MET 288 CO 0.04 0.75 -0.06 0.52 1.06 0.00 0.00 176.91 179.21 1r80 h MET 289 N 0.28 0.96 -0.61 1.72 2.07 -1.06 -0.53 114.93 117.76 1r80 h MET 289 Ca 0.02 -0.34 -0.03 0.00 -2.07 0.00 0.00 59.70 57.28 1r80 h MET 289 Cb 0.94 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.57 1r80 h MET 289 CO 0.08 1.01 0.28 0.28 1.07 0.00 0.00 176.91 179.63 1r80 h VAL 290 N 0.83 1.22 -0.49 -2.22 2.07 -1.20 -1.13 116.25 115.33 1r80 h VAL 290 Ca 0.14 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1r80 h VAL 290 Cb 0.61 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1r80 h VAL 290 CO 0.04 0.25 0.21 0.44 0.02 0.00 0.00 177.57 178.54 1r80 h ASP 291 N 0.83 0.66 -0.67 0.57 5.19 -1.09 -1.87 116.42 120.04 1r80 h ASP 291 Ca 0.21 -0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1r80 h ASP 291 Cb 0.14 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 1r80 h ASP 291 CO -0.02 0.63 0.42 -0.61 -3.12 0.00 0.00 179.24 176.54 1r80 h GLN 292 N 0.65 0.81 0.00 3.56 4.15 -0.75 -0.83 115.11 122.71 1r80 h GLN 292 Ca 0.17 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1r80 h GLN 292 Cb 0.16 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 1r80 h GLN 292 CO -0.02 0.54 -0.15 0.00 -1.93 0.00 0.00 178.83 177.27 1r80 h ALA 293 N 1.28 1.72 -0.44 3.38 0.00 -0.91 -1.25 119.26 123.03 1r80 h ALA 293 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1r80 h ALA 293 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r80 h ALA 293 CO -0.10 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1r80 n ASN 294 N -4.32 2.38 -2.49 0.00 3.02 -0.44 -4.94 115.26 108.47 1r80 n ASN 294 Ca -0.03 -2.00 -0.19 0.00 -0.03 0.00 0.00 54.58 52.34 1r80 n ASN 294 Cb 0.22 -0.30 0.03 0.00 -0.61 0.00 0.00 39.78 39.12 1r80 n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r80 n GLY 295 N 1.21 -0.32 3.00 7.41 0.00 -0.47 -5.02 105.19 110.99 1r80 n GLY 295 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1r80 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r80 s ILE 296 N -3.06 0.52 -0.15 -0.61 2.07 -0.50 -5.02 121.20 114.45 1r80 s ILE 296 Ca 0.23 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1r80 s ILE 296 Cb -0.10 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.04 1r80 s ILE 296 CO 0.29 0.05 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.49 1r80 s GLU 297 N -0.41 2.63 0.35 3.50 2.56 -1.26 -3.77 118.70 122.30 1r80 s GLU 297 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 54.97 54.01 1r80 s GLU 297 Cb -0.04 -2.27 -0.12 0.00 2.00 0.00 0.00 34.13 33.70 1r80 s GLU 297 CO -0.00 -0.16 1.12 0.00 -0.56 0.00 0.00 175.26 175.67 1r80 n ALA 298 N 4.50 0.52 -0.30 6.30 0.00 -1.26 -4.87 120.51 125.40 1r80 n ALA 298 Ca -0.19 0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1r80 n ALA 298 Cb 0.50 -2.13 0.29 0.00 0.00 0.00 0.00 19.45 18.11 1r80 n ALA 298 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1r80 h VAL 299 N 2.05 0.35 -0.25 0.00 3.04 -1.94 -1.20 116.25 118.31 1r80 h VAL 299 Ca -0.44 -0.08 -0.17 0.00 -1.01 0.00 0.00 66.70 64.99 1r80 h VAL 299 Cb 1.32 0.08 -0.13 0.00 -2.01 0.00 0.00 31.29 30.55 1r80 h VAL 299 CO 0.60 0.04 -0.52 0.79 -1.01 0.00 0.00 177.57 177.47 1r80 n TRP 300 N -5.19 0.88 0.00 3.17 7.02 -1.26 -5.06 117.44 117.00 1r80 n TRP 300 Ca 0.21 -1.72 0.00 0.00 -1.02 0.00 0.00 57.50 54.97 1r80 n TRP 300 Cb 0.68 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 1r80 n TRP 300 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1r80 n HIS 301 N -1.01 0.00 -0.30 -5.99 8.25 -0.46 -2.08 115.22 113.63 1r80 n HIS 301 Ca 0.28 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.83 1r80 n HIS 301 Cb 0.80 0.00 0.25 0.00 1.12 0.00 0.00 29.99 32.16 1r80 n HIS 301 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1r80 h ASP 302 N 0.00 0.46 -0.33 0.41 3.32 -1.98 -0.89 116.42 117.41 1r80 h ASP 302 Ca 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1r80 h ASP 302 Cb 0.00 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1r80 h ASP 302 CO 0.00 0.14 0.17 -0.08 -1.72 0.00 0.00 179.24 177.75 1r80 h GLU 303 N 0.54 0.51 -0.56 3.56 4.81 -1.81 0.47 114.58 122.11 1r80 h GLU 303 Ca 0.50 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1r80 h GLU 303 Cb 0.80 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1r80 h GLU 303 CO -0.42 0.40 0.04 0.77 -0.73 0.00 0.00 179.01 179.07 1r80 h SER 304 N 0.51 0.93 0.12 1.04 0.02 -1.13 -1.81 113.55 113.23 1r80 h SER 304 Ca 0.13 -0.29 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 1r80 h SER 304 Cb 0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1r80 h SER 304 CO -0.02 0.99 -0.55 0.45 -1.14 0.00 0.00 176.83 176.56 1r80 h HIS 305 N 0.84 0.58 -0.67 3.45 3.86 -1.20 -2.35 115.15 119.65 1r80 h HIS 305 Ca 0.16 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1r80 h HIS 305 Cb 0.48 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1r80 h HIS 305 CO 0.04 0.91 0.44 1.25 0.86 0.00 0.00 177.93 181.42 1r80 h LEU 306 N 0.35 0.75 -0.92 2.43 5.85 -0.71 -0.10 115.31 122.98 1r80 h LEU 306 Ca 0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1r80 h LEU 306 Cb 1.08 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1r80 h LEU 306 CO 0.10 0.54 -0.04 0.78 -0.34 0.00 0.00 178.44 179.48 1r80 h ASN 307 N 0.89 0.72 -0.47 1.25 2.35 -1.15 -0.50 115.58 118.67 1r80 h ASN 307 Ca 0.25 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1r80 h ASN 307 Cb -0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1r80 h ASN 307 CO -0.06 0.82 -0.15 0.50 -1.65 0.00 0.00 177.43 176.89 1r80 h LYS 308 N 0.69 0.93 -0.18 0.81 1.63 -0.88 -1.87 116.57 117.71 1r80 h LYS 308 Ca 0.13 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 1r80 h LYS 308 Cb 0.49 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1r80 h LYS 308 CO 0.03 1.03 0.07 -0.92 -3.45 0.00 0.00 179.45 176.21 1r80 h TYR 309 N 0.78 0.27 0.00 1.91 3.20 -0.66 -2.60 116.97 119.87 1r80 h TYR 309 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1r80 h TYR 309 Cb 0.71 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1r80 h TYR 309 CO 0.05 0.33 0.00 -0.07 -1.64 0.00 0.00 178.16 176.84 1r80 h LEU 310 N 0.13 0.00 -0.02 2.82 3.38 -1.06 0.22 115.31 120.78 1r80 h LEU 310 Ca 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1r80 h LEU 310 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1r80 h LEU 310 CO -0.00 0.00 -0.62 0.25 0.09 0.00 0.00 178.44 178.16 1r80 h LEU 311 N 0.00 0.58 0.00 1.67 5.85 -1.03 -3.28 115.31 119.09 1r80 h LEU 311 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1r80 h LEU 311 Cb 0.42 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1r80 h LEU 311 CO 0.00 1.23 -0.51 0.03 -0.34 0.00 0.00 178.44 178.85 1r80 h ARG 312 N -0.03 0.00 -2.94 1.25 2.47 -1.08 -3.40 114.38 110.66 1r80 h ARG 312 Ca -0.07 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.05 1r80 h ARG 312 Cb 1.31 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.23 1r80 h ARG 312 CO 0.12 0.00 -0.76 -1.01 0.56 0.00 0.00 179.97 178.88 1r80 s HIS 313 N -3.20 1.71 0.21 3.04 3.76 0.72 -5.10 115.29 116.42 1r80 s HIS 313 Ca 0.06 -2.22 -0.32 0.00 -0.15 0.00 0.00 55.06 52.42 1r80 s HIS 313 Cb 0.11 -1.68 -0.13 0.00 1.11 0.00 0.00 32.58 31.99 1r80 s HIS 313 CO 0.71 -0.80 1.57 1.63 -0.85 0.00 0.00 174.74 177.00 1r80 n LYS 314 N 3.72 2.36 -2.24 1.40 4.76 -1.24 -4.29 118.16 122.64 1r80 n LYS 314 Ca 0.09 0.85 -0.35 0.00 -2.87 0.00 0.00 58.31 56.02 1r80 n LYS 314 Cb 0.35 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1r80 n LYS 314 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1r80 s PRO 315 N 0.43 3.33 0.00 1.97 0.04 -1.26 -4.93 135.00 134.58 1r80 s PRO 315 Ca 0.73 1.64 0.28 0.00 0.04 0.00 0.00 61.00 63.69 1r80 s PRO 315 Cb -0.60 -2.01 1.10 0.00 0.04 0.00 0.00 34.50 33.03 1r80 s PRO 315 CO 0.41 -0.88 1.80 0.25 0.04 0.00 0.00 177.00 178.63 1r80 n THR 316 N -1.31 0.00 -3.66 1.26 -2.24 0.18 -4.80 114.28 103.71 1r80 n THR 316 Ca 0.12 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1r80 n THR 316 Cb 0.51 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1r80 n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r80 s LYS 317 N -2.76 0.76 -0.07 -0.78 1.02 -1.16 -3.96 119.74 112.79 1r80 s LYS 317 Ca 0.20 0.34 0.03 0.00 0.02 0.00 0.00 55.97 56.57 1r80 s LYS 317 Cb 0.19 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.86 1r80 s LYS 317 CO 0.54 -0.18 -0.18 0.08 -0.92 0.00 0.00 175.35 174.70 1r80 s VAL 318 N -0.59 1.53 -0.02 3.17 1.01 -0.48 -3.08 120.40 121.93 1r80 s VAL 318 Ca -0.07 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1r80 s VAL 318 Cb -0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1r80 s VAL 318 CO 0.04 0.44 0.44 -0.76 0.00 0.00 0.00 175.10 175.26 1r80 s LEU 319 N 0.40 4.43 0.96 3.92 1.43 0.04 -0.77 118.68 129.09 1r80 s LEU 319 Ca -0.14 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1r80 s LEU 319 Cb -0.16 -2.64 0.16 0.00 0.03 0.00 0.00 46.19 43.59 1r80 s LEU 319 CO 0.05 0.24 1.11 -0.94 0.23 0.00 0.00 176.35 177.04 1r80 s SER 320 N -0.63 3.04 0.00 2.29 1.04 -0.91 -1.16 113.70 117.37 1r80 s SER 320 Ca 0.25 1.12 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1r80 s SER 320 Cb -0.17 -1.76 0.11 0.00 0.10 0.00 0.00 66.02 64.30 1r80 s SER 320 CO 0.13 -2.87 0.96 -2.65 0.98 0.00 0.00 173.24 169.79 1r80 n PRO 321 N -3.99 0.02 0.24 4.02 -0.02 -1.26 -1.55 135.00 132.45 1r80 n PRO 321 Ca 0.06 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1r80 n PRO 321 Cb 0.58 -1.50 0.67 0.00 -0.02 0.00 0.00 33.50 33.22 1r80 n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1r80 h GLU 322 N 0.00 0.00 -0.01 -0.52 5.08 -1.90 -1.95 114.58 115.29 1r80 h GLU 322 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r80 h GLU 322 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1r80 h GLU 322 CO 0.00 0.00 -0.11 0.66 -1.00 0.00 0.00 179.01 178.56 1r80 n TYR 323 N -4.47 0.00 -3.21 4.33 4.02 -0.60 -0.98 117.16 116.25 1r80 n TYR 323 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.87 1r80 n TYR 323 Cb 0.14 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 1r80 n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1r80 s LEU 324 N -2.30 -1.37 0.20 7.72 2.96 -0.73 -4.35 118.68 120.82 1r80 s LEU 324 Ca 0.32 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1r80 s LEU 324 Cb 0.20 1.78 -0.05 0.00 0.50 0.00 0.00 46.19 48.63 1r80 s LEU 324 CO 0.44 -0.24 0.06 0.86 -1.32 0.00 0.00 176.35 176.14 1r80 s TRP 325 N 2.20 1.27 -0.30 5.38 -0.11 -0.61 -4.22 118.94 122.56 1r80 s TRP 325 Ca 0.14 -1.15 -0.02 0.00 1.22 0.00 0.00 56.10 56.28 1r80 s TRP 325 Cb -0.08 -0.72 0.11 0.00 -1.50 0.00 0.00 33.47 31.29 1r80 s TRP 325 CO -0.15 -0.35 0.19 0.34 -4.62 0.00 0.00 176.95 172.36 1r80 s ASP 326 N -3.20 2.88 0.45 5.86 -1.08 -1.26 -1.23 116.67 119.09 1r80 s ASP 326 Ca 0.30 -1.20 0.19 0.00 -0.52 0.00 0.00 52.55 51.33 1r80 s ASP 326 Cb 0.07 -0.07 1.07 0.00 -1.46 0.00 0.00 42.92 42.53 1r80 s ASP 326 CO 0.08 -0.41 1.96 -0.61 0.52 0.00 0.00 175.17 176.71 1r80 h GLN 327 N 8.24 0.00 -0.18 4.34 4.15 -1.90 0.77 115.11 130.53 1r80 h GLN 327 Ca -0.16 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1r80 h GLN 327 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1r80 h GLN 327 CO 0.39 0.22 -0.00 0.37 -1.93 0.00 0.00 178.83 177.88 1r80 h GLN 328 N 0.00 0.33 0.00 1.69 4.15 -1.94 0.14 115.11 119.47 1r80 h GLN 328 Ca -0.00 -0.11 -0.14 0.00 0.77 0.00 0.00 58.65 59.17 1r80 h GLN 328 Cb 0.46 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1r80 h GLN 328 CO 0.03 0.54 -1.13 -0.07 -1.93 0.00 0.00 178.83 176.27 1r80 h LEU 329 N 0.07 0.00 -0.68 -2.39 4.07 -1.96 -3.40 115.31 111.02 1r80 h LEU 329 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1r80 h LEU 329 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1r80 h LEU 329 CO 0.01 0.54 0.00 0.18 -1.08 0.00 0.00 178.44 178.09 1r80 n LEU 330 N -2.98 0.68 0.00 1.67 4.77 0.25 -5.10 117.00 116.29 1r80 n LEU 330 Ca -0.06 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1r80 n LEU 330 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1r80 n LEU 330 CO 0.42 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1r80 n GLY 331 N 0.28 0.52 2.44 -0.72 0.00 0.47 -4.53 105.19 103.66 1r80 n GLY 331 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1r80 n GLY 331 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r80 s TRP 332 N 0.00 1.08 0.64 1.61 -0.11 -1.26 -4.35 118.94 116.55 1r80 s TRP 332 Ca 0.00 -2.16 -0.18 0.00 1.22 0.00 0.00 56.10 54.98 1r80 s TRP 332 Cb 0.00 -1.00 -0.01 0.00 -1.50 0.00 0.00 33.47 30.96 1r80 s TRP 332 CO 0.00 -0.82 1.29 -2.14 -4.62 0.00 0.00 176.95 170.66 1r80 s PRO 333 N 0.32 2.60 0.51 5.86 0.02 -1.26 -4.92 135.00 138.13 1r80 s PRO 333 Ca 0.28 2.04 0.15 0.00 0.02 0.00 0.00 61.00 63.49 1r80 s PRO 333 Cb -0.05 -1.85 1.22 0.00 0.02 0.00 0.00 34.50 33.84 1r80 s PRO 333 CO -0.13 -1.56 2.14 0.00 -0.33 0.00 0.00 177.00 177.12 1r80 h ALA 334 N 0.59 1.97 0.00 -1.55 0.00 -2.00 -1.52 119.26 116.74 1r80 h ALA 334 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1r80 h ALA 334 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1r80 h ALA 334 CO 0.53 0.03 0.00 -0.24 0.00 0.00 0.00 179.25 179.57 1r80 h VAL 335 N 0.06 0.00 -3.43 0.00 3.04 -2.00 -3.38 116.25 110.54 1r80 h VAL 335 Ca 0.02 -0.15 -0.72 0.00 -1.01 0.00 0.00 66.70 64.84 1r80 h VAL 335 Cb -0.01 0.82 -0.27 0.00 -2.01 0.00 0.00 31.29 29.83 1r80 h VAL 335 CO -0.00 0.00 -0.45 -0.76 -1.01 0.00 0.00 177.57 175.35 1r80 s LEU 336 N -4.72 5.21 0.44 3.16 1.43 -0.57 -4.92 118.68 118.70 1r80 s LEU 336 Ca 0.01 -1.44 0.24 0.00 -1.03 0.00 0.00 54.13 51.90 1r80 s LEU 336 Cb 0.08 -2.02 0.55 0.00 0.03 0.00 0.00 46.19 44.83 1r80 s LEU 336 CO 0.33 -0.55 1.68 0.03 0.23 0.00 0.00 176.35 178.07 1r80 h ARG 337 N 8.47 0.00 -3.50 1.70 3.08 -1.83 -3.45 114.38 118.84 1r80 h ARG 337 Ca -0.24 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.65 1r80 h ARG 337 Cb 1.09 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.92 1r80 h ARG 337 CO 0.77 0.10 -0.52 0.15 -1.07 0.00 0.00 179.97 179.40 1r80 s LYS 338 N -3.30 0.38 -0.33 0.04 1.02 -1.26 -5.11 119.74 111.18 1r80 s LYS 338 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 1r80 s LYS 338 Cb 0.07 0.16 0.07 0.00 -0.52 0.00 0.00 37.83 37.61 1r80 s LYS 338 CO 0.65 -0.08 0.06 -0.51 -0.92 0.00 0.00 175.35 174.55 1r80 s LEU 339 N -0.97 4.38 -0.18 3.17 1.43 -1.26 -4.61 118.68 120.63 1r80 s LEU 339 Ca -0.11 -1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 51.30 1r80 s LEU 339 Cb -0.06 -1.72 -0.22 0.00 0.03 0.00 0.00 46.19 44.22 1r80 s LEU 339 CO 0.01 -0.35 0.14 0.54 0.23 0.00 0.00 176.35 176.91 1r80 n ARG 340 N 4.55 0.69 -3.72 1.70 1.74 -0.15 -3.68 116.66 117.79 1r80 n ARG 340 Ca -0.08 0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 57.06 1r80 n ARG 340 Cb 0.42 -1.65 -0.18 0.00 -1.02 0.00 0.00 32.46 30.04 1r80 n ARG 340 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1r80 s PHE 341 N -2.51 0.47 0.19 -1.55 5.36 -1.21 -0.01 117.98 118.71 1r80 s PHE 341 Ca -0.28 -0.11 0.06 0.00 -0.96 0.00 0.00 56.93 55.64 1r80 s PHE 341 Cb 0.08 -0.71 -0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1r80 s PHE 341 CO 0.68 -0.33 -0.10 0.95 -1.46 0.00 0.00 175.22 174.96 1r80 s THR 342 N 2.04 1.37 0.41 0.12 -4.23 -0.58 -1.57 115.64 113.20 1r80 s THR 342 Ca 0.04 -2.11 -0.24 0.00 -1.18 0.00 0.00 61.69 58.20 1r80 s THR 342 Cb -0.13 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 71.60 1r80 s THR 342 CO -0.05 -0.61 1.09 0.00 -0.54 0.00 0.00 174.62 174.51 1r80 s ALA 343 N -3.20 3.09 -0.17 3.99 0.00 -0.36 -1.35 121.76 123.75 1r80 s ALA 343 Ca 0.21 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1r80 s ALA 343 Cb 0.02 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1r80 s ALA 343 CO 0.04 -0.34 0.45 0.08 0.00 0.00 0.00 175.76 175.99 1r80 s VAL 344 N -1.58 5.18 -2.00 0.00 1.01 -1.04 -4.83 120.40 117.13 1r80 s VAL 344 Ca 0.58 0.84 0.12 0.00 0.00 0.00 0.00 61.98 63.52 1r80 s VAL 344 Cb -0.25 -3.78 0.35 0.00 0.00 0.00 0.00 36.38 32.70 1r80 s VAL 344 CO 0.31 0.26 1.17 -0.81 0.00 0.00 0.00 175.10 176.03