#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s THR 63 N 0.00 2.12 0.31 1.12 -4.23 -1.26 -4.84 115.64 108.86 1p84 s THR 63 Ca 0.00 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1p84 s THR 63 Cb 0.00 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 71.08 1p84 s THR 63 CO 0.00 -0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.98 1p84 h ALA 64 N 1.41 1.58 -0.44 3.99 0.00 -1.99 -1.36 119.26 122.44 1p84 h ALA 64 Ca -0.51 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1p84 h ALA 64 Cb 1.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1p84 h ALA 64 CO 0.57 0.27 0.29 0.00 0.00 0.00 0.00 179.25 180.38 1p84 h ALA 65 N 1.54 1.77 0.01 0.00 0.00 -1.91 0.12 119.26 120.77 1p84 h ALA 65 Ca 0.39 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1p84 h ALA 65 Cb 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1p84 h ALA 65 CO -0.16 0.19 -0.38 0.93 0.00 0.00 0.00 179.25 179.84 1p84 h GLU 66 N 0.52 0.25 -0.54 0.00 5.08 -1.62 0.92 114.58 119.19 1p84 h GLU 66 Ca 0.17 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1p84 h GLU 66 Cb 0.05 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1p84 h GLU 66 CO -0.04 0.99 0.03 0.45 -1.00 0.00 0.00 179.01 179.45 1p84 h HIS 67 N -0.39 1.01 0.00 4.33 3.86 -1.23 -2.95 115.15 119.78 1p84 h HIS 67 Ca -0.05 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1p84 h HIS 67 Cb 1.13 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1p84 h HIS 67 CO 0.17 0.92 0.00 0.41 0.86 0.00 0.00 177.93 180.29 1p84 n GLY 68 N -0.45 2.35 3.72 2.45 0.00 0.38 -4.41 105.19 109.24 1p84 n GLY 68 Ca 0.02 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1p84 n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p84 s LEU 69 N 0.00 4.37 0.07 0.99 0.20 0.21 -4.92 118.68 119.60 1p84 s LEU 69 Ca 0.00 2.49 -0.31 0.00 0.69 0.00 0.00 54.13 57.01 1p84 s LEU 69 Cb 0.00 -3.59 -0.08 0.00 -0.43 0.00 0.00 46.19 42.09 1p84 s LEU 69 CO 0.00 -0.73 1.62 -2.28 -0.29 0.00 0.00 176.35 174.67 1p84 s HIS 70 N 0.99 2.51 0.13 5.38 5.65 -1.26 -4.54 115.29 124.15 1p84 s HIS 70 Ca 0.66 0.39 -0.30 0.00 0.25 0.00 0.00 55.06 56.06 1p84 s HIS 70 Cb -0.40 -3.93 -0.07 0.00 -1.18 0.00 0.00 32.58 27.00 1p84 s HIS 70 CO 0.32 -3.68 1.23 0.00 -0.65 0.00 0.00 174.74 171.96 1p84 s ALA 71 N 2.53 3.44 0.87 1.58 0.00 -1.26 -5.03 121.76 123.90 1p84 s ALA 71 Ca 0.73 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 1p84 s ALA 71 Cb -0.39 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.41 1p84 s ALA 71 CO 0.32 -0.43 1.20 -1.25 0.00 0.00 0.00 175.76 175.59 1p84 s PRO 72 N 0.37 1.42 -0.63 0.00 0.04 -1.26 -4.95 135.00 129.99 1p84 s PRO 72 Ca 0.56 0.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 1p84 s PRO 72 Cb -0.32 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.45 1p84 s PRO 72 CO 0.33 -1.96 0.69 0.00 0.04 0.00 0.00 177.00 176.10 1p84 s ALA 73 N -3.56 3.56 0.45 8.56 0.00 -1.26 -4.81 121.76 124.69 1p84 s ALA 73 Ca 0.65 -2.48 -0.21 0.00 0.00 0.00 0.00 51.96 49.92 1p84 s ALA 73 Cb -0.10 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1p84 s ALA 73 CO 0.51 -2.30 1.00 0.71 0.00 0.00 0.00 175.76 175.68 1p84 s TYR 74 N 2.09 3.19 -1.30 0.00 2.02 -1.26 -4.96 117.35 117.13 1p84 s TYR 74 Ca 0.11 1.61 -0.16 0.00 -0.37 0.00 0.00 57.07 58.27 1p84 s TYR 74 Cb -0.23 -2.97 0.10 0.00 -0.40 0.00 0.00 41.96 38.46 1p84 s TYR 74 CO 0.02 -0.46 1.74 0.00 -1.57 0.00 0.00 175.55 175.29 1p84 n ALA 75 N -0.67 4.08 -1.85 3.71 0.00 -1.26 -4.98 120.51 119.54 1p84 n ALA 75 Ca 0.08 -4.00 -0.41 0.00 0.00 0.00 0.00 53.44 49.11 1p84 n ALA 75 Cb 0.53 -3.40 -0.03 0.00 0.00 0.00 0.00 19.45 16.55 1p84 n ALA 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1p84 s TRP 76 N 3.06 3.20 0.39 0.00 0.52 -1.26 -4.90 118.94 119.95 1p84 s TRP 76 Ca 0.49 1.38 0.39 0.00 0.02 0.00 0.00 56.10 58.38 1p84 s TRP 76 Cb 0.04 -3.59 1.95 0.00 -1.15 0.00 0.00 33.47 30.71 1p84 s TRP 76 CO 0.03 -1.68 2.18 0.66 0.02 0.00 0.00 176.95 178.16 1p84 h SER 77 N 4.17 0.00 0.07 2.95 4.64 -1.94 -2.16 113.55 121.29 1p84 h SER 77 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1p84 h SER 77 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1p84 h SER 77 CO 0.70 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.57 1p84 n HIS 78 N -3.03 0.00 -2.54 4.77 -0.00 -1.26 -4.62 115.22 108.53 1p84 n HIS 78 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.29 1p84 n HIS 78 Cb 0.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.07 1p84 n HIS 78 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1p84 s ASN 79 N -2.17 7.27 0.00 4.39 0.02 -0.82 -4.69 114.94 118.93 1p84 s ASN 79 Ca 0.33 1.99 0.00 0.00 -1.02 0.00 0.00 52.86 54.16 1p84 s ASN 79 Cb 0.20 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1p84 s ASN 79 CO 0.40 -0.26 0.00 0.61 0.02 0.00 0.00 177.10 177.87 1p84 n GLY 80 N 2.42 3.67 0.38 0.66 0.00 -1.26 -4.74 105.19 106.31 1p84 n GLY 80 Ca 0.04 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.77 1p84 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p84 h PRO 81 N 0.00 0.55 -0.64 1.61 0.13 -2.00 -2.16 132.00 129.49 1p84 h PRO 81 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1p84 h PRO 81 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1p84 h PRO 81 CO 0.00 0.37 0.00 1.19 -0.23 0.00 0.00 178.00 179.33 1p84 n PHE 82 N -4.68 1.46 -4.49 1.56 0.99 -1.26 -4.89 117.46 106.15 1p84 n PHE 82 Ca 0.23 -0.55 -0.34 0.00 -0.00 0.00 0.00 57.45 56.80 1p84 n PHE 82 Cb 0.70 -0.30 -0.12 0.00 -1.00 0.00 0.00 39.48 38.76 1p84 n PHE 82 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1p84 s GLU 83 N -2.04 3.31 0.54 -1.08 0.41 -0.82 -5.12 118.70 113.91 1p84 s GLU 83 Ca 0.45 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 1p84 s GLU 83 Cb 0.31 -2.79 0.03 0.00 -1.78 0.00 0.00 34.13 29.90 1p84 s GLU 83 CO 0.19 0.42 0.77 0.95 -0.49 0.00 0.00 175.26 177.10 1p84 s THR 84 N -0.13 2.94 1.01 3.63 -4.23 -1.26 -4.81 115.64 112.79 1p84 s THR 84 Ca 0.02 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1p84 s THR 84 Cb -0.13 -3.11 0.19 0.00 1.34 0.00 0.00 72.50 70.80 1p84 s THR 84 CO 0.03 -0.08 1.08 -0.36 -0.54 0.00 0.00 174.62 174.75 1p84 s PHE 85 N -2.75 2.00 -0.41 3.99 2.99 -1.26 -4.16 117.98 118.38 1p84 s PHE 85 Ca 0.56 1.09 -0.13 0.00 0.00 0.00 0.00 56.93 58.44 1p84 s PHE 85 Cb -0.10 -3.22 0.04 0.00 0.00 0.00 0.00 43.02 39.74 1p84 s PHE 85 CO 0.39 -2.98 0.28 0.34 -0.00 0.00 0.00 175.22 173.25 1p84 s ASP 86 N -3.27 5.94 0.55 1.36 3.68 -1.26 -4.96 116.67 118.71 1p84 s ASP 86 Ca 0.66 -1.06 0.33 0.00 2.13 0.00 0.00 52.55 54.60 1p84 s ASP 86 Cb -0.20 -2.10 1.49 0.00 -1.45 0.00 0.00 42.92 40.66 1p84 s ASP 86 CO 0.59 -0.47 2.04 0.45 0.13 0.00 0.00 175.17 177.90 1p84 h HIS 87 N 8.56 0.00 -0.31 -5.34 3.86 -1.93 -2.09 115.15 117.90 1p84 h HIS 87 Ca -0.26 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.80 1p84 h HIS 87 Cb 1.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1p84 h HIS 87 CO 0.58 0.05 -0.39 0.00 0.86 0.00 0.00 177.93 179.02 1p84 h ALA 88 N 1.95 0.46 -0.41 2.45 0.00 -1.93 -1.40 119.26 120.38 1p84 h ALA 88 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1p84 h ALA 88 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1p84 h ALA 88 CO 0.01 0.56 -0.10 1.03 0.00 0.00 0.00 179.25 180.75 1p84 h SER 89 N 0.58 0.70 -0.18 0.00 0.87 -1.86 -1.53 113.55 112.13 1p84 h SER 89 Ca 0.04 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1p84 h SER 89 Cb 0.99 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1p84 h SER 89 CO 0.09 0.83 0.08 0.40 -0.53 0.00 0.00 176.83 177.71 1p84 h ILE 90 N 0.65 1.14 -0.06 2.23 2.04 -1.17 -0.22 117.51 122.12 1p84 h ILE 90 Ca 0.11 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1p84 h ILE 90 Cb 0.55 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1p84 h ILE 90 CO 0.03 0.13 -0.25 -0.09 0.00 0.00 0.00 178.15 177.97 1p84 h ARG 91 N 0.16 -0.35 -0.37 2.37 2.43 -0.83 -0.80 114.38 116.99 1p84 h ARG 91 Ca 0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1p84 h ARG 91 Cb 0.14 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1p84 h ARG 91 CO -0.01 -0.23 0.19 0.00 -1.51 0.00 0.00 179.97 178.41 1p84 h ARG 92 N -0.36 0.38 -0.98 0.20 3.08 -1.20 -2.33 114.38 113.17 1p84 h ARG 92 Ca 0.08 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.24 1p84 h ARG 92 Cb 0.47 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 1p84 h ARG 92 CO -0.27 0.25 0.62 0.78 -1.07 0.00 0.00 179.97 180.29 1p84 h GLY 93 N 0.39 1.58 0.95 0.04 0.00 -0.38 0.08 103.07 105.74 1p84 h GLY 93 Ca 0.16 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1p84 h GLY 93 CO -0.10 0.11 0.60 -1.82 0.00 0.00 0.00 176.54 175.32 1p84 h TYR 94 N 0.89 1.12 -0.58 5.60 3.20 -0.60 -0.80 116.97 125.81 1p84 h TYR 94 Ca 0.50 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.36 1p84 h TYR 94 Cb 0.61 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1p84 h TYR 94 CO -0.00 0.68 0.21 0.37 -1.64 0.00 0.00 178.16 177.78 1p84 h GLN 95 N 1.19 0.89 -0.41 1.82 4.15 -0.88 -0.49 115.11 121.37 1p84 h GLN 95 Ca 0.35 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1p84 h GLN 95 Cb -0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1p84 h GLN 95 CO -0.09 0.79 0.03 0.28 -1.93 0.00 0.00 178.83 177.90 1p84 h VAL 96 N 0.82 1.21 -0.25 2.39 2.07 -0.99 0.11 116.25 121.61 1p84 h VAL 96 Ca 0.19 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1p84 h VAL 96 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1p84 h VAL 96 CO -0.01 0.30 -0.10 0.22 0.02 0.00 0.00 177.57 178.00 1p84 h TYR 97 N 0.62 0.57 -0.31 1.57 3.20 -0.64 -1.16 116.97 120.82 1p84 h TYR 97 Ca 0.13 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1p84 h TYR 97 Cb 0.35 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1p84 h TYR 97 CO 0.02 0.75 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.19 1p84 h ARG 98 N 0.23 0.55 0.00 1.82 9.65 -0.69 0.47 114.38 126.41 1p84 h ARG 98 Ca 0.06 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1p84 h ARG 98 Cb 0.59 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1p84 h ARG 98 CO 0.03 0.70 -0.16 0.93 2.80 0.00 0.00 179.97 184.27 1p84 h GLU 99 N 0.34 0.00 0.00 0.20 5.08 -0.85 -3.40 114.58 115.96 1p84 h GLU 99 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1p84 h GLU 99 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1p84 h GLU 99 CO 0.02 0.08 -0.00 0.28 -1.00 0.00 0.00 179.01 178.39 1p84 n VAL 100 N -3.09 0.50 -0.19 3.13 0.31 -0.44 -4.93 118.33 113.62 1p84 n VAL 100 Ca 0.03 0.17 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1p84 n VAL 100 Cb 0.57 -1.24 0.01 0.00 -0.91 0.00 0.00 33.84 32.27 1p84 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p84 h ALA 102 N 1.03 1.23 0.00 0.00 0.00 -0.24 0.14 119.26 121.41 1p84 h ALA 102 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1p84 h ALA 102 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1p84 h ALA 102 CO -0.01 -0.23 -0.26 0.00 0.00 0.00 0.00 179.25 178.75 1p84 h ALA 103 N 1.24 1.52 0.00 0.00 0.00 -1.81 -3.36 119.26 116.85 1p84 h ALA 103 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1p84 h ALA 103 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1p84 h ALA 103 CO 0.00 0.33 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 1p84 s HIS 105 N -0.94 3.00 0.61 0.00 3.76 -0.19 -4.66 115.29 116.86 1p84 s HIS 105 Ca 0.00 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1p84 s HIS 105 Cb 0.00 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.81 1p84 s HIS 105 CO 0.00 -0.01 0.89 -1.54 -0.85 0.00 0.00 174.74 173.23 1p84 s SER 106 N 0.21 5.23 -0.33 1.40 1.04 -1.26 -4.28 113.70 115.72 1p84 s SER 106 Ca -0.03 0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.94 1p84 s SER 106 Cb -0.14 -1.23 0.45 0.00 0.10 0.00 0.00 66.02 65.20 1p84 s SER 106 CO 0.03 -1.26 1.07 -0.11 0.98 0.00 0.00 173.24 173.96 1p84 n LEU 107 N -2.60 0.74 -0.40 2.42 7.94 -1.26 -2.30 117.00 121.54 1p84 n LEU 107 Ca 0.06 -3.54 0.34 0.00 -1.11 0.00 0.00 56.01 51.77 1p84 n LEU 107 Cb 0.59 0.35 0.61 0.00 0.53 0.00 0.00 43.42 45.50 1p84 n LEU 107 CO 0.50 1.54 1.18 0.44 -1.11 0.00 0.00 177.39 179.94 1p84 h ASP 108 N 2.67 0.31 0.47 1.96 3.45 -1.94 -2.28 116.42 121.07 1p84 h ASP 108 Ca -0.15 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1p84 h ASP 108 Cb 1.22 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1p84 h ASP 108 CO 0.32 -0.23 -0.19 0.54 -1.57 0.00 0.00 179.24 178.11 1p84 n ARG 109 N -4.87 0.46 -3.39 3.56 1.74 -1.26 -4.75 116.66 108.14 1p84 n ARG 109 Ca 0.36 -0.18 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 1p84 n ARG 109 Cb 1.32 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 31.20 1p84 n ARG 109 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p84 s VAL 110 N -2.66 5.22 -0.11 1.55 1.01 -0.86 -5.05 120.40 119.49 1p84 s VAL 110 Ca 0.22 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 1p84 s VAL 110 Cb 0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1p84 s VAL 110 CO 0.53 0.31 0.12 0.00 0.00 0.00 0.00 175.10 176.06 1p84 s ALA 111 N 0.84 3.78 0.25 5.51 0.00 -1.26 -1.82 121.76 129.05 1p84 s ALA 111 Ca 0.21 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1p84 s ALA 111 Cb -0.14 -1.88 0.48 0.00 0.00 0.00 0.00 23.12 21.58 1p84 s ALA 111 CO 0.08 0.62 1.64 -1.49 0.00 0.00 0.00 175.76 176.60 1p84 h TRP 112 N 4.99 0.03 -0.81 0.00 4.06 -1.42 -0.84 115.95 121.96 1p84 h TRP 112 Ca -0.54 0.05 0.21 0.00 2.06 0.00 0.00 58.89 60.67 1p84 h TRP 112 Cb 1.22 0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 29.45 1p84 h TRP 112 CO 0.74 -0.23 0.56 0.07 -3.56 0.00 0.00 178.44 176.02 1p84 h ARG 113 N 0.13 0.19 0.00 0.49 0.11 -1.62 -0.61 114.38 113.07 1p84 h ARG 113 Ca 0.44 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.50 1p84 h ARG 113 Cb 0.79 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1p84 h ARG 113 CO -0.66 0.13 0.00 1.79 0.10 0.00 0.00 179.97 181.33 1p84 h THR 114 N 0.20 0.00 0.02 0.08 1.35 -1.46 -2.58 112.91 110.52 1p84 h THR 114 Ca 0.40 -0.24 -0.21 0.00 -0.55 0.00 0.00 66.41 65.82 1p84 h THR 114 Cb 1.28 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1p84 h THR 114 CO -0.08 0.00 -0.93 -0.07 -0.25 0.00 0.00 175.52 174.19 1p84 h LEU 115 N 0.00 0.22 -9.46 3.87 4.07 -1.23 -3.42 115.31 109.37 1p84 h LEU 115 Ca 0.00 -0.19 -0.53 0.00 0.08 0.00 0.00 57.88 57.23 1p84 h LEU 115 Cb 0.32 -0.07 0.03 0.00 1.08 0.00 0.00 40.66 42.03 1p84 h LEU 115 CO 0.00 1.03 1.14 0.52 -1.08 0.00 0.00 178.44 180.06 1p84 n VAL 116 N -3.60 0.48 -0.85 1.22 0.31 -0.97 -1.17 118.33 113.76 1p84 n VAL 116 Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1p84 n VAL 116 Cb 0.85 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1p84 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p84 n GLY 117 N 4.32 0.90 0.69 2.92 0.00 -0.51 -4.84 105.19 108.67 1p84 n GLY 117 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1p84 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p84 n VAL 118 N -2.05 0.94 0.00 1.61 0.31 -0.31 -4.92 118.33 113.90 1p84 n VAL 118 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1p84 n VAL 118 Cb 0.00 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1p84 n VAL 118 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1p84 n SER 119 N -3.65 0.24 -3.84 4.52 3.41 -0.78 -4.84 113.62 108.68 1p84 n SER 119 Ca -0.13 -0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.21 1p84 n SER 119 Cb 0.42 0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 1p84 n SER 119 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1p84 s HIS 120 N -0.45 0.15 0.69 7.33 3.76 -1.14 -4.67 115.29 120.95 1p84 s HIS 120 Ca 0.00 -0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 54.26 1p84 s HIS 120 Cb 0.00 0.00 0.02 0.00 1.11 0.00 0.00 32.58 33.71 1p84 s HIS 120 CO 0.00 -0.62 1.06 0.95 -0.85 0.00 0.00 174.74 175.28 1p84 s THR 121 N -3.88 3.29 0.24 1.30 -4.23 -1.26 -1.43 115.64 109.67 1p84 s THR 121 Ca 0.08 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1p84 s THR 121 Cb 0.04 -3.39 0.21 0.00 1.34 0.00 0.00 72.50 70.70 1p84 s THR 121 CO -0.08 -0.49 1.84 -1.13 -0.54 0.00 0.00 174.62 174.22 1p84 h ASN 122 N -0.59 0.79 0.06 3.99 -0.73 -1.95 -1.97 115.58 115.19 1p84 h ASN 122 Ca -0.45 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 57.74 1p84 h ASN 122 Cb 1.27 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.72 1p84 h ASN 122 CO 0.63 0.50 -0.03 -0.33 -0.37 0.00 0.00 177.43 177.83 1p84 h GLU 123 N 0.92 -0.08 -0.67 6.67 3.07 -1.99 -2.41 114.58 120.08 1p84 h GLU 123 Ca 0.38 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.33 1p84 h GLU 123 Cb 0.22 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 1p84 h GLU 123 CO -0.19 0.17 0.32 0.93 -1.40 0.00 0.00 179.01 178.84 1p84 h GLU 124 N -0.32 0.55 -0.38 2.33 5.08 -1.84 -1.48 114.58 118.52 1p84 h GLU 124 Ca -0.01 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1p84 h GLU 124 Cb 0.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1p84 h GLU 124 CO 0.01 0.36 -0.18 0.28 -1.00 0.00 0.00 179.01 178.48 1p84 h VAL 125 N 0.56 1.26 -0.65 3.13 2.07 -1.36 -1.98 116.25 119.28 1p84 h VAL 125 Ca 0.33 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1p84 h VAL 125 Cb 0.34 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1p84 h VAL 125 CO -0.26 0.42 0.29 -0.09 0.02 0.00 0.00 177.57 177.94 1p84 h ARG 126 N 0.63 0.96 -0.45 1.57 2.43 -0.80 -0.57 114.38 118.15 1p84 h ARG 126 Ca 0.10 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1p84 h ARG 126 Cb 0.66 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1p84 h ARG 126 CO 0.05 0.78 0.10 -0.91 -1.51 0.00 0.00 179.97 178.48 1p84 h ASN 127 N 0.91 0.69 -0.64 -3.80 -0.26 -1.11 -2.47 115.58 108.90 1p84 h ASN 127 Ca 0.22 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1p84 h ASN 127 Cb 0.16 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 1p84 h ASN 127 CO -0.02 0.75 0.34 0.24 -1.06 0.00 0.00 177.43 177.67 1p84 h MET 128 N 0.60 0.91 -0.27 0.81 2.86 -1.02 -2.96 114.93 115.86 1p84 h MET 128 Ca 0.14 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1p84 h MET 128 Cb 0.34 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1p84 h MET 128 CO 0.00 0.71 -0.25 0.00 1.06 0.00 0.00 176.91 178.43 1p84 h ALA 129 N 1.16 1.06 0.00 6.32 0.00 -1.02 -3.08 119.26 123.69 1p84 h ALA 129 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1p84 h ALA 129 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p84 h ALA 129 CO -0.03 0.57 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1p84 n GLU 130 N -4.12 0.16 0.07 0.00 1.02 -0.94 -2.48 120.64 114.36 1p84 n GLU 130 Ca -0.00 0.36 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1p84 n GLU 130 Cb 0.41 -1.79 0.45 0.00 -0.02 0.00 0.00 31.44 30.49 1p84 n GLU 130 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p84 n GLU 131 N -2.09 0.13 -4.16 3.49 1.02 -1.16 -4.28 120.64 113.57 1p84 n GLU 131 Ca 0.03 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1p84 n GLU 131 Cb 0.24 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1p84 n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1p84 s PHE 132 N -3.13 2.92 -0.04 -0.32 0.40 -1.03 -5.03 117.98 111.75 1p84 s PHE 132 Ca 0.08 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1p84 s PHE 132 Cb 0.12 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1p84 s PHE 132 CO 0.43 0.49 -0.02 -1.21 0.70 0.00 0.00 175.22 175.62 1p84 s GLU 133 N -2.63 2.82 0.12 0.44 2.02 -1.26 -1.64 118.70 118.58 1p84 s GLU 133 Ca 0.27 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.75 1p84 s GLU 133 Cb -0.11 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1p84 s GLU 133 CO 0.18 0.65 -0.11 0.71 0.02 0.00 0.00 175.26 176.72 1p84 s TYR 134 N -0.97 1.22 0.04 1.61 2.02 -0.02 -4.95 117.35 116.30 1p84 s TYR 134 Ca 0.16 -0.68 -0.31 0.00 -0.37 0.00 0.00 57.07 55.87 1p84 s TYR 134 Cb -0.11 -0.64 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 1p84 s TYR 134 CO 0.06 0.06 1.43 -0.51 -1.57 0.00 0.00 175.55 175.03 1p84 s ASP 135 N -2.77 6.81 0.53 2.29 -0.00 -1.26 -1.83 116.67 120.43 1p84 s ASP 135 Ca 0.11 2.22 0.09 0.00 -0.00 0.00 0.00 52.55 54.98 1p84 s ASP 135 Cb -0.01 -2.57 0.06 0.00 -0.00 0.00 0.00 42.92 40.41 1p84 s ASP 135 CO 0.01 -0.72 0.73 -0.62 -0.00 0.00 0.00 175.17 174.57 1p84 s ASP 136 N 1.73 5.26 0.30 0.27 3.68 -0.60 -4.90 116.67 122.41 1p84 s ASP 136 Ca 0.65 -0.72 -0.29 0.00 2.13 0.00 0.00 52.55 54.32 1p84 s ASP 136 Cb -0.34 0.02 -0.10 0.00 -1.45 0.00 0.00 42.92 41.05 1p84 s ASP 136 CO 0.28 -1.18 1.15 -1.61 0.13 0.00 0.00 175.17 173.95 1p84 s GLU 137 N -4.58 4.52 0.57 4.34 2.02 -1.26 -4.57 118.70 119.74 1p84 s GLU 137 Ca 0.60 1.89 -0.19 0.00 0.02 0.00 0.00 54.97 57.29 1p84 s GLU 137 Cb -0.07 -3.10 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 1p84 s GLU 137 CO 0.37 0.07 0.91 -0.35 0.02 0.00 0.00 175.26 176.28 1p84 n PRO 138 N 0.97 0.90 -1.29 0.39 -0.04 -1.26 -4.69 135.00 129.98 1p84 n PRO 138 Ca -0.00 0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 1p84 n PRO 138 Cb 0.44 -2.08 0.22 0.00 -0.04 0.00 0.00 33.50 32.04 1p84 n PRO 138 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1p84 s ASP 139 N -1.17 1.60 0.64 3.54 3.84 -1.11 -4.83 116.67 119.19 1p84 s ASP 139 Ca 0.73 0.59 0.24 0.00 -0.00 0.00 0.00 52.55 54.11 1p84 s ASP 139 Cb -0.44 -0.83 1.21 0.00 -1.38 0.00 0.00 42.92 41.48 1p84 s ASP 139 CO 0.49 -3.70 1.68 -0.33 -0.00 0.00 0.00 175.17 173.31 1p84 h GLU 140 N -2.29 0.00 -0.00 2.11 4.39 -1.94 -1.25 114.58 115.59 1p84 h GLU 140 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1p84 h GLU 140 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1p84 h GLU 140 CO 0.38 0.00 -0.58 1.04 -1.16 0.00 0.00 179.01 178.69 1p84 n GLN 141 N -3.06 2.49 0.00 2.33 6.02 -1.26 -5.02 117.38 118.88 1p84 n GLN 141 Ca 0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1p84 n GLN 141 Cb 0.69 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.81 1p84 n GLN 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p84 n GLY 142 N 1.28 1.64 3.74 1.08 0.00 -0.47 -5.08 105.19 107.37 1p84 n GLY 142 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1p84 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p84 s ASN 143 N -1.73 7.18 0.68 1.61 0.02 -1.26 -4.76 114.94 116.68 1p84 s ASN 143 Ca 0.00 2.18 -0.16 0.00 -1.02 0.00 0.00 52.86 53.86 1p84 s ASN 143 Cb 0.00 -2.61 0.01 0.00 0.02 0.00 0.00 41.25 38.67 1p84 s ASN 143 CO 0.00 -0.28 1.18 -2.16 0.02 0.00 0.00 177.10 175.86 1p84 s PRO 144 N -0.47 2.52 -0.00 -0.60 0.04 -1.26 -2.73 135.00 132.49 1p84 s PRO 144 Ca 0.50 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1p84 s PRO 144 Cb -0.31 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1p84 s PRO 144 CO 0.37 -1.53 0.35 -1.59 0.04 0.00 0.00 177.00 174.64 1p84 s LYS 145 N -3.82 0.74 0.40 4.56 -2.85 -1.26 -4.90 119.74 112.61 1p84 s LYS 145 Ca 0.73 -0.22 -0.02 0.00 -1.00 0.00 0.00 55.97 55.46 1p84 s LYS 145 Cb -0.27 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1p84 s LYS 145 CO 0.41 -0.22 0.55 1.63 0.10 0.00 0.00 175.35 177.83 1p84 n LYS 146 N 1.07 0.07 -3.61 1.78 4.76 -1.26 -1.56 118.16 119.40 1p84 n LYS 146 Ca -0.21 -1.35 -0.06 0.00 -2.87 0.00 0.00 58.31 53.82 1p84 n LYS 146 Cb 0.57 -0.41 -0.05 0.00 -1.84 0.00 0.00 35.03 33.29 1p84 n LYS 146 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1p84 s ARG 147 N -3.93 0.33 0.87 1.97 3.52 -0.76 -4.52 118.95 116.44 1p84 s ARG 147 Ca 0.35 0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 1p84 s ARG 147 Cb -0.02 0.16 0.12 0.00 -1.56 0.00 0.00 34.95 33.65 1p84 s ARG 147 CO 0.24 -0.09 1.09 -1.25 -0.81 0.00 0.00 175.30 174.47 1p84 s PRO 148 N -0.84 1.43 0.45 5.12 0.04 -1.26 -0.84 135.00 139.10 1p84 s PRO 148 Ca 0.04 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 1p84 s PRO 148 Cb -0.01 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1p84 s PRO 148 CO -0.04 -2.14 0.93 0.20 0.04 0.00 0.00 177.00 175.99 1p84 s GLY 149 N -3.41 2.22 0.32 0.56 0.00 -0.65 -4.68 107.32 101.69 1p84 s GLY 149 Ca 0.63 0.24 0.06 0.00 0.00 0.00 0.00 44.72 45.65 1p84 s GLY 149 CO 0.57 0.50 -0.03 -1.59 0.00 0.00 0.00 173.10 172.55 1p84 s LYS 150 N -3.56 1.69 0.51 2.90 -2.85 -1.26 -3.65 119.74 113.52 1p84 s LYS 150 Ca 0.59 -1.90 0.25 0.00 -1.00 0.00 0.00 55.97 53.91 1p84 s LYS 150 Cb -0.10 -1.26 1.35 0.00 -2.06 0.00 0.00 37.83 35.76 1p84 s LYS 150 CO 0.22 -0.01 1.97 -0.07 0.10 0.00 0.00 175.35 177.56 1p84 h LEU 151 N 2.11 0.06 -1.69 2.77 3.38 -1.93 -1.89 115.31 118.11 1p84 h LEU 151 Ca -0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1p84 h LEU 151 Cb 1.24 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1p84 h LEU 151 CO 0.71 0.03 -0.11 0.77 0.09 0.00 0.00 178.44 179.93 1p84 h SER 152 N 0.07 0.00 -4.07 -0.43 4.64 -1.97 -2.07 113.55 109.72 1p84 h SER 152 Ca 0.29 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.13 1p84 h SER 152 Cb 1.07 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.31 1p84 h SER 152 CO -0.02 0.11 0.25 -1.81 -0.87 0.00 0.00 176.83 174.49 1p84 s ASP 153 N -5.97 3.43 -0.11 4.97 1.01 -0.71 -4.84 116.67 114.45 1p84 s ASP 153 Ca -0.01 1.43 -0.03 0.00 0.71 0.00 0.00 52.55 54.65 1p84 s ASP 153 Cb 0.11 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 1p84 s ASP 153 CO 0.57 -2.66 0.01 -0.31 0.21 0.00 0.00 175.17 173.00 1p84 s TYR 154 N -2.96 3.19 -0.23 4.23 2.02 -1.26 -1.69 117.35 120.65 1p84 s TYR 154 Ca 0.63 0.15 -0.40 0.00 -0.37 0.00 0.00 57.07 57.09 1p84 s TYR 154 Cb -0.18 -1.85 -0.16 0.00 -0.40 0.00 0.00 41.96 39.37 1p84 s TYR 154 CO 0.57 0.40 1.68 -0.89 -1.57 0.00 0.00 175.55 175.74 1p84 n ILE 155 N 2.45 0.26 -2.21 2.71 5.41 -0.76 -4.92 119.36 122.31 1p84 n ILE 155 Ca -0.18 -0.05 -0.34 0.00 1.00 0.00 0.00 62.75 63.18 1p84 n ILE 155 Cb 0.53 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 1p84 n ILE 155 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1p84 s PRO 156 N 3.10 3.39 0.21 0.38 0.04 -1.26 -4.31 135.00 136.54 1p84 s PRO 156 Ca 0.97 1.40 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1p84 s PRO 156 Cb -1.06 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1p84 s PRO 156 CO 0.63 -0.78 0.24 0.20 0.04 0.00 0.00 177.00 177.33 1p84 s GLY 157 N -2.23 1.49 0.62 0.56 0.00 -1.26 -4.72 107.32 101.78 1p84 s GLY 157 Ca 0.68 -1.25 0.38 0.00 0.00 0.00 0.00 44.72 44.53 1p84 s GLY 157 CO 0.30 -1.27 2.25 -0.56 0.00 0.00 0.00 173.10 173.82 1p84 h PRO 158 N 1.76 0.00 -6.42 2.90 0.13 -1.84 -3.44 132.00 125.09 1p84 h PRO 158 Ca -0.49 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.01 1p84 h PRO 158 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 1p84 h PRO 158 CO 0.63 0.02 -0.86 0.71 -0.23 0.00 0.00 178.00 178.27 1p84 s TYR 159 N -4.17 2.05 -0.34 1.56 1.51 -1.26 -5.03 117.35 111.67 1p84 s TYR 159 Ca -0.04 -0.39 0.24 0.00 -1.01 0.00 0.00 57.07 55.87 1p84 s TYR 159 Cb 0.13 -1.20 0.47 0.00 -0.11 0.00 0.00 41.96 41.25 1p84 s TYR 159 CO 0.48 0.14 1.65 -1.00 -1.11 0.00 0.00 175.55 175.72 1p84 h PRO 160 N 4.64 0.00 -2.60 -1.71 0.13 -1.96 -3.48 132.00 127.03 1p84 h PRO 160 Ca -0.45 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1p84 h PRO 160 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1p84 h PRO 160 CO 0.43 0.04 0.38 0.54 -0.23 0.00 0.00 178.00 179.16 1p84 s ASN 161 N -6.16 -0.25 0.26 1.44 2.20 -1.26 -5.05 114.94 106.12 1p84 s ASN 161 Ca 0.06 -0.41 -0.05 0.00 -0.94 0.00 0.00 52.86 51.52 1p84 s ASN 161 Cb 0.06 0.57 0.31 0.00 -2.00 0.00 0.00 41.25 40.19 1p84 s ASN 161 CO 0.66 -1.03 1.93 -0.08 -2.94 0.00 0.00 177.10 175.64 1p84 h GLU 162 N 2.00 1.26 -0.76 3.55 4.81 -2.00 -2.60 114.58 120.85 1p84 h GLU 162 Ca -0.23 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1p84 h GLU 162 Cb 1.24 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1p84 h GLU 162 CO 0.26 0.84 0.38 1.96 -0.73 0.00 0.00 179.01 181.72 1p84 h GLN 163 N 1.30 1.09 0.00 1.92 7.50 -2.00 -1.97 115.11 122.95 1p84 h GLN 163 Ca 0.37 -0.15 -0.11 0.00 0.50 0.00 0.00 58.65 59.26 1p84 h GLN 163 Cb -0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.22 1p84 h GLN 163 CO -0.09 0.83 -0.51 0.00 -1.50 0.00 0.00 178.83 177.56 1p84 h ALA 164 N 1.19 0.99 -0.42 3.87 0.00 -1.93 -1.88 119.26 121.08 1p84 h ALA 164 Ca 0.26 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1p84 h ALA 164 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p84 h ALA 164 CO -0.04 0.64 -0.31 0.00 0.00 0.00 0.00 179.25 179.54 1p84 h ALA 165 N 1.49 0.60 -0.23 0.00 0.00 -1.07 -2.75 119.26 117.30 1p84 h ALA 165 Ca -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1p84 h ALA 165 Cb 1.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1p84 h ALA 165 CO 0.07 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 179.48 1p84 h ARG 166 N 0.77 0.74 -0.93 0.00 3.08 -1.26 -3.16 114.38 113.61 1p84 h ARG 166 Ca 0.08 -0.49 0.12 0.00 0.07 0.00 0.00 59.98 59.77 1p84 h ARG 166 Cb 0.89 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.93 1p84 h ARG 166 CO 0.08 1.11 0.60 0.00 -1.07 0.00 0.00 179.97 180.69 1p84 h ALA 167 N 0.62 1.66 -0.04 0.04 0.00 -1.31 0.18 119.26 120.41 1p84 h ALA 167 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p84 h ALA 167 Cb 1.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1p84 h ALA 167 CO 0.11 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1p84 n ALA 168 N -2.39 2.61 -2.76 0.00 0.00 -1.04 -4.19 120.51 112.73 1p84 n ALA 168 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1p84 n ALA 168 Cb 0.38 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.59 1p84 n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p84 n ASN 169 N -0.40 1.78 0.00 0.00 3.02 -0.09 -4.96 115.26 114.61 1p84 n ASN 169 Ca 0.18 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1p84 n ASN 169 Cb 0.20 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1p84 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p84 n GLN 170 N -0.51 -1.17 0.00 3.52 1.13 -1.18 -1.38 117.38 117.79 1p84 n GLN 170 Ca 0.10 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1p84 n GLN 170 Cb 0.81 -4.48 0.00 0.00 0.11 0.00 0.00 30.24 26.68 1p84 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p84 n GLY 171 N -0.38 0.76 3.92 1.08 0.00 0.43 -5.03 105.19 105.97 1p84 n GLY 171 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1p84 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p84 s ALA 172 N -2.00 3.56 -0.31 4.61 0.00 -0.48 -4.86 121.76 122.29 1p84 s ALA 172 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1p84 s ALA 172 Cb 0.00 -2.34 0.08 0.00 0.00 0.00 0.00 23.12 20.85 1p84 s ALA 172 CO 0.00 -0.08 0.00 -1.17 0.00 0.00 0.00 175.76 174.52 1p84 s LEU 173 N -4.28 4.17 -0.11 0.00 2.96 -1.26 -3.83 118.68 116.33 1p84 s LEU 173 Ca 0.44 -1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 52.40 1p84 s LEU 173 Cb -0.10 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1p84 s LEU 173 CO 0.38 -0.31 1.76 -2.84 -1.32 0.00 0.00 176.35 174.02 1p84 s PRO 174 N 1.09 3.93 0.80 0.98 0.02 -1.26 -4.95 135.00 135.61 1p84 s PRO 174 Ca -0.00 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 1p84 s PRO 174 Cb -0.20 -4.08 0.07 0.00 0.02 0.00 0.00 34.50 30.32 1p84 s PRO 174 CO -0.05 -1.15 1.10 -1.25 -0.33 0.00 0.00 177.00 175.32 1p84 s PRO 175 N 4.58 2.02 0.23 5.54 0.04 -1.26 -4.78 135.00 141.37 1p84 s PRO 175 Ca 0.78 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1p84 s PRO 175 Cb -0.32 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1p84 s PRO 175 CO 0.32 -1.83 1.25 0.34 0.04 0.00 0.00 177.00 177.12 1p84 s ASP 176 N -3.26 6.97 0.00 6.66 2.15 -1.26 -4.48 116.67 123.46 1p84 s ASP 176 Ca 0.62 2.39 0.22 0.00 0.43 0.00 0.00 52.55 56.22 1p84 s ASP 176 Cb -0.18 -2.62 0.69 0.00 -0.30 0.00 0.00 42.92 40.51 1p84 s ASP 176 CO 0.56 -0.43 1.52 0.18 -0.17 0.00 0.00 175.17 176.83 1p84 n LEU 177 N 2.06 2.06 -0.26 -1.34 4.77 -0.97 -4.40 117.00 118.91 1p84 n LEU 177 Ca 0.04 -0.84 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 1p84 n LEU 177 Cb 0.43 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.73 1p84 n LEU 177 CO 0.57 0.42 1.23 0.28 -1.33 0.00 0.00 177.39 178.56 1p84 h SER 178 N 2.78 0.74 -0.00 -1.43 0.02 -1.90 -3.07 113.55 110.69 1p84 h SER 178 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1p84 h SER 178 Cb 0.61 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1p84 h SER 178 CO 0.00 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.31 1p84 n LEU 179 N -4.52 1.06 -0.33 5.07 4.77 -1.26 -2.45 117.00 119.34 1p84 n LEU 179 Ca 0.14 -1.04 0.32 0.00 -0.03 0.00 0.00 56.01 55.40 1p84 n LEU 179 Cb 0.31 -0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.98 1p84 n LEU 179 CO 0.32 0.26 1.04 0.00 -1.33 0.00 0.00 177.39 177.68 1p84 n ILE 180 N -0.01 -0.38 0.13 -0.08 0.13 -1.16 0.30 119.36 118.29 1p84 n ILE 180 Ca 0.00 1.92 0.01 0.00 -1.10 0.00 0.00 62.75 63.58 1p84 n ILE 180 Cb 0.02 -3.13 0.31 0.00 -0.84 0.00 0.00 39.64 36.00 1p84 n ILE 180 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1p84 h VAL 181 N 0.00 1.26 0.00 9.51 2.07 -1.82 -2.77 116.25 124.50 1p84 h VAL 181 Ca 0.82 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1p84 h VAL 181 Cb 2.24 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1p84 h VAL 181 CO -0.70 0.37 -1.09 0.29 0.02 0.00 0.00 177.57 176.46 1p84 n LYS 182 N -4.12 0.38 -0.53 1.57 5.02 0.15 -4.22 118.16 116.41 1p84 n LYS 182 Ca -0.01 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1p84 n LYS 182 Cb 0.40 -1.63 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 1p84 n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p84 n ALA 183 N -1.93 3.31 -3.53 7.82 0.00 -0.44 -4.85 120.51 120.89 1p84 n ALA 183 Ca 0.01 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.19 1p84 n ALA 183 Cb 0.47 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 1p84 n ALA 183 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1p84 s ARG 184 N -2.04 0.36 0.35 0.00 1.81 -1.22 -4.99 118.95 113.22 1p84 s ARG 184 Ca 0.33 0.62 -0.28 0.00 -1.72 0.00 0.00 55.73 54.67 1p84 s ARG 184 Cb 0.25 0.04 -0.11 0.00 -0.45 0.00 0.00 34.95 34.68 1p84 s ARG 184 CO 0.10 -0.12 1.45 -1.01 -0.68 0.00 0.00 175.30 175.04 1p84 s HIS 185 N 0.90 2.73 0.00 -0.53 3.76 -1.26 -2.23 115.29 118.66 1p84 s HIS 185 Ca -0.06 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1p84 s HIS 185 Cb -0.07 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.69 1p84 s HIS 185 CO -0.07 -2.75 0.00 0.41 -0.85 0.00 0.00 174.74 171.49 1p84 n GLY 186 N 0.74 2.69 7.00 -2.22 0.00 -1.26 -4.78 105.19 107.36 1p84 n GLY 186 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1p84 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p84 n GLY 187 N -0.43 3.20 0.21 -0.02 0.00 -0.95 -2.20 105.19 105.01 1p84 n GLY 187 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1p84 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p84 h ASP 189 N 0.58 0.81 0.13 0.00 3.32 -1.76 -1.48 116.42 118.01 1p84 h ASP 189 Ca 0.22 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1p84 h ASP 189 Cb 0.08 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1p84 h ASP 189 CO -0.13 0.43 -0.06 0.22 -1.72 0.00 0.00 179.24 177.98 1p84 h TYR 190 N 0.87 -0.16 -0.39 4.55 3.20 -1.18 -2.28 116.97 121.58 1p84 h TYR 190 Ca 0.46 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.38 1p84 h TYR 190 Cb 0.56 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1p84 h TYR 190 CO -0.00 0.28 0.11 0.82 -1.64 0.00 0.00 178.16 177.73 1p84 h ILE 191 N -0.69 0.84 0.23 1.81 1.08 -1.08 0.20 117.51 119.90 1p84 h ILE 191 Ca -0.02 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1p84 h ILE 191 Cb 0.51 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1p84 h ILE 191 CO 0.03 0.04 -0.11 0.15 -0.69 0.00 0.00 178.15 177.57 1p84 h PHE 192 N 0.25 -0.28 -0.91 1.37 3.57 -1.37 -2.13 116.94 117.43 1p84 h PHE 192 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1p84 h PHE 192 Cb 0.20 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1p84 h PHE 192 CO -0.17 -0.15 0.59 0.77 -2.23 0.00 0.00 178.31 177.12 1p84 h SER 193 N -0.34 0.92 -0.25 0.41 0.02 -1.10 -1.54 113.55 111.67 1p84 h SER 193 Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1p84 h SER 193 Cb 0.26 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1p84 h SER 193 CO 0.05 0.60 0.02 0.25 -1.14 0.00 0.00 176.83 176.61 1p84 h LEU 194 N 1.05 0.42 -0.95 5.07 5.85 -0.79 -1.44 115.31 124.52 1p84 h LEU 194 Ca 0.39 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1p84 h LEU 194 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1p84 h LEU 194 CO -0.14 0.59 0.19 -0.07 -0.34 0.00 0.00 178.44 178.67 1p84 h LEU 195 N 0.22 0.89 -3.06 2.25 3.38 -0.79 -3.02 115.31 115.18 1p84 h LEU 195 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p84 h LEU 195 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1p84 h LEU 195 CO 0.01 0.84 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1p84 n THR 196 N -4.27 1.64 -1.16 0.22 -2.24 -0.64 -4.54 114.28 103.30 1p84 n THR 196 Ca 0.05 -1.19 0.04 0.00 -2.27 0.00 0.00 64.05 60.68 1p84 n THR 196 Cb 0.22 0.20 0.23 0.00 -2.10 0.00 0.00 70.33 68.88 1p84 n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p84 n GLY 197 N 1.04 4.42 3.63 3.38 0.00 -0.54 -4.97 105.19 112.15 1p84 n GLY 197 Ca 0.24 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1p84 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p84 s TYR 198 N -2.98 3.24 0.40 1.61 1.51 -1.26 -4.35 117.35 115.53 1p84 s TYR 198 Ca 0.42 1.08 -0.15 0.00 -1.01 0.00 0.00 57.07 57.40 1p84 s TYR 198 Cb 0.36 -3.27 -0.08 0.00 -0.11 0.00 0.00 41.96 38.85 1p84 s TYR 198 CO 0.05 -0.55 0.83 -2.14 -1.11 0.00 0.00 175.55 172.64 1p84 s PRO 199 N 3.10 3.97 0.39 -1.71 0.02 -1.26 -4.95 135.00 134.56 1p84 s PRO 199 Ca 0.37 0.75 0.06 0.00 0.02 0.00 0.00 61.00 62.20 1p84 s PRO 199 Cb -0.14 -2.32 0.80 0.00 0.02 0.00 0.00 34.50 32.86 1p84 s PRO 199 CO 0.11 -0.01 2.04 -0.44 -0.33 0.00 0.00 177.00 178.36 1p84 h ASP 200 N 1.65 0.55 -3.77 2.53 3.32 -1.96 -3.42 116.42 115.32 1p84 h ASP 200 Ca -0.48 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.30 1p84 h ASP 200 Cb 1.18 -0.14 -0.28 0.00 0.22 0.00 0.00 39.33 40.31 1p84 h ASP 200 CO 0.63 0.39 -0.73 -1.61 -1.72 0.00 0.00 179.24 176.21 1p84 s GLU 201 N -5.57 0.13 0.73 3.56 2.02 -1.26 -5.13 118.70 113.17 1p84 s GLU 201 Ca -0.09 -0.05 -0.14 0.00 0.02 0.00 0.00 54.97 54.72 1p84 s GLU 201 Cb 0.18 -0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.31 1p84 s GLU 201 CO 0.74 0.02 1.15 -1.25 0.02 0.00 0.00 175.26 175.95 1p84 s PRO 202 N 0.02 2.29 0.72 0.39 0.04 -1.26 -4.97 135.00 132.22 1p84 s PRO 202 Ca 0.00 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 1p84 s PRO 202 Cb -0.01 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1p84 s PRO 202 CO -0.00 -1.67 1.24 -1.25 0.04 0.00 0.00 177.00 175.36 1p84 s PRO 203 N -4.18 2.18 0.20 0.56 0.04 -1.26 -4.89 135.00 127.65 1p84 s PRO 203 Ca 0.69 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 63.28 1p84 s PRO 203 Cb -0.24 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1p84 s PRO 203 CO 0.46 -1.83 1.60 0.00 0.04 0.00 0.00 177.00 177.27 1p84 n ALA 204 N -2.53 1.91 0.00 8.56 0.00 -1.26 -2.66 120.51 124.53 1p84 n ALA 204 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1p84 n ALA 204 Cb 0.49 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1p84 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p84 n GLY 205 N 3.25 2.93 3.63 0.00 0.00 -1.26 -5.04 105.19 108.70 1p84 n GLY 205 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1p84 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p84 s VAL 206 N -2.81 4.10 -1.12 1.61 1.01 -1.09 -4.95 120.40 117.16 1p84 s VAL 206 Ca 0.00 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 1p84 s VAL 206 Cb 0.00 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.43 1p84 s VAL 206 CO 0.00 -0.42 1.40 0.00 0.00 0.00 0.00 175.10 176.08 1p84 s ALA 207 N 4.38 3.57 -0.16 5.51 0.00 -1.26 -4.97 121.76 128.83 1p84 s ALA 207 Ca 0.58 -3.00 -0.29 0.00 0.00 0.00 0.00 51.96 49.24 1p84 s ALA 207 Cb -0.18 -4.23 -0.02 0.00 0.00 0.00 0.00 23.12 18.69 1p84 s ALA 207 CO 0.23 -3.01 1.31 -1.17 0.00 0.00 0.00 175.76 173.13 1p84 s LEU 208 N 2.68 4.18 0.64 0.00 2.96 -1.26 -5.00 118.68 122.88 1p84 s LEU 208 Ca 0.42 1.72 -0.18 0.00 -0.22 0.00 0.00 54.13 55.88 1p84 s LEU 208 Cb -0.02 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1p84 s LEU 208 CO -0.02 -0.81 1.02 -2.65 -1.32 0.00 0.00 176.35 172.57 1p84 n PRO 209 N 6.73 0.83 -1.85 0.98 -0.02 -1.26 -4.91 135.00 135.49 1p84 n PRO 209 Ca 0.14 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1p84 n PRO 209 Cb 0.45 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1p84 n PRO 209 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1p84 s PRO 210 N -3.02 4.17 0.00 0.52 0.02 -1.26 -2.13 135.00 133.30 1p84 s PRO 210 Ca 0.77 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.27 1p84 s PRO 210 Cb -0.39 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1p84 s PRO 210 CO 0.46 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 1p84 n GLY 211 N 3.04 1.48 4.01 0.52 0.00 -1.26 -5.04 105.19 107.94 1p84 n GLY 211 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1p84 n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p84 s SER 212 N -3.16 5.24 0.06 1.61 0.01 -0.91 -4.84 113.70 111.71 1p84 s SER 212 Ca 0.00 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1p84 s SER 212 Cb 0.00 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1p84 s SER 212 CO 0.00 -1.16 -0.06 0.20 0.41 0.00 0.00 173.24 172.64 1p84 s ASN 213 N -4.51 0.80 -0.11 2.44 0.01 0.11 -4.93 114.94 108.76 1p84 s ASN 213 Ca 0.59 -0.83 -0.04 0.00 -0.71 0.00 0.00 52.86 51.87 1p84 s ASN 213 Cb -0.08 0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.65 1p84 s ASN 213 CO 0.37 -0.41 0.05 -0.47 -1.51 0.00 0.00 177.10 175.13 1p84 s TYR 214 N -2.88 3.31 -0.19 2.20 5.04 -1.26 -1.13 117.35 122.44 1p84 s TYR 214 Ca 0.02 0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 54.84 1p84 s TYR 214 Cb 0.00 -1.87 0.08 0.00 0.35 0.00 0.00 41.96 40.52 1p84 s TYR 214 CO -0.04 0.51 0.43 1.21 -1.34 0.00 0.00 175.55 176.32 1p84 s ASN 215 N -0.77 -0.43 0.33 4.32 3.84 -0.68 -4.34 114.94 117.22 1p84 s ASN 215 Ca 0.12 0.98 0.14 0.00 0.21 0.00 0.00 52.86 54.32 1p84 s ASN 215 Cb -0.12 1.08 0.56 0.00 -0.55 0.00 0.00 41.25 42.23 1p84 s ASN 215 CO 0.03 -0.21 1.70 1.55 -2.79 0.00 0.00 177.10 177.37 1p84 h PRO 216 N 7.60 0.00 0.00 0.43 0.13 -1.84 -3.24 132.00 135.08 1p84 h PRO 216 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1p84 h PRO 216 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1p84 h PRO 216 CO 0.21 0.48 -0.21 1.88 -0.23 0.00 0.00 178.00 180.12 1p84 h TYR 217 N 0.00 0.00 -3.50 1.56 -1.99 -1.88 0.63 116.97 111.79 1p84 h TYR 217 Ca -0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 1p84 h TYR 217 Cb 0.93 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.63 1p84 h TYR 217 CO 0.00 0.21 0.23 0.12 -0.00 0.00 0.00 178.16 178.71 1p84 s PHE 218 N -3.48 3.80 0.16 4.88 5.36 -1.22 -4.24 117.98 123.23 1p84 s PHE 218 Ca 0.02 1.61 -0.33 0.00 -0.96 0.00 0.00 56.93 57.27 1p84 s PHE 218 Cb 0.09 -2.88 -0.12 0.00 -0.34 0.00 0.00 43.02 39.77 1p84 s PHE 218 CO 0.64 0.31 1.72 -2.30 -1.46 0.00 0.00 175.22 174.13 1p84 n PRO 219 N 2.53 2.57 -0.37 10.12 -0.02 -1.26 -1.32 135.00 147.25 1p84 n PRO 219 Ca -0.02 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1p84 n PRO 219 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1p84 n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p84 n GLY 220 N 3.89 1.60 4.55 -1.23 0.00 0.32 -4.47 105.19 109.84 1p84 n GLY 220 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1p84 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p84 n GLY 221 N -2.00 1.17 3.48 -0.02 0.00 -0.43 -4.92 105.19 102.47 1p84 n GLY 221 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p84 n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p84 s SER 222 N -0.21 6.27 0.03 1.61 0.15 -1.26 -1.68 113.70 118.61 1p84 s SER 222 Ca 0.00 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.03 1p84 s SER 222 Cb 0.00 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1p84 s SER 222 CO 0.00 -0.98 -0.11 -0.51 1.20 0.00 0.00 173.24 172.84 1p84 s ILE 223 N 3.04 3.30 -2.17 6.45 2.07 -0.28 -4.90 121.20 128.70 1p84 s ILE 223 Ca 0.21 -0.98 0.21 0.00 -1.41 0.00 0.00 60.65 58.67 1p84 s ILE 223 Cb -0.17 -2.43 0.52 0.00 0.13 0.00 0.00 42.46 40.51 1p84 s ILE 223 CO 0.15 0.34 1.66 0.00 -1.91 0.00 0.00 174.94 175.18 1p84 n ALA 224 N 1.46 2.57 -3.01 1.50 0.00 -1.26 -0.71 120.51 121.06 1p84 n ALA 224 Ca -0.15 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 1p84 n ALA 224 Cb 0.52 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 1p84 n ALA 224 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1p84 s MET 225 N -1.90 3.65 0.78 0.00 0.00 -1.26 -4.93 119.30 115.64 1p84 s MET 225 Ca 0.32 -0.52 -0.09 0.00 0.00 0.00 0.00 55.69 55.40 1p84 s MET 225 Cb 0.16 -2.96 0.11 0.00 0.00 0.00 0.00 34.83 32.13 1p84 s MET 225 CO 0.26 0.17 1.10 0.00 0.00 0.00 0.00 175.02 176.55 1p84 s ALA 226 N 0.56 2.97 0.17 4.11 0.00 -1.26 -4.75 121.76 123.55 1p84 s ALA 226 Ca -0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 1p84 s ALA 226 Cb -0.14 -2.59 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1p84 s ALA 226 CO 0.02 -1.64 1.32 0.50 0.00 0.00 0.00 175.76 175.97 1p84 s ARG 227 N -5.42 4.37 0.00 0.00 3.52 -1.26 -4.90 118.95 115.26 1p84 s ARG 227 Ca 0.65 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1p84 s ARG 227 Cb -0.08 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1p84 s ARG 227 CO 0.47 -0.30 0.00 1.33 -0.81 0.00 0.00 175.30 175.99 1p84 n VAL 228 N 2.99 0.00 -3.66 7.11 0.24 -1.26 -5.01 118.33 118.74 1p84 n VAL 228 Ca 0.07 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.34 61.65 1p84 n VAL 228 Cb 0.43 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.59 1p84 n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1p84 s LEU 229 N -2.01 4.12 0.04 1.34 1.43 -1.26 -5.07 118.68 117.27 1p84 s LEU 229 Ca 0.00 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1p84 s LEU 229 Cb 0.00 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1p84 s LEU 229 CO 0.00 0.07 -0.08 -0.36 0.23 0.00 0.00 176.35 176.21 1p84 s PHE 230 N 1.01 0.73 0.21 0.29 0.40 -1.26 -4.94 117.98 114.42 1p84 s PHE 230 Ca 0.08 -0.46 -0.32 0.00 -0.60 0.00 0.00 56.93 55.63 1p84 s PHE 230 Cb -0.13 -0.44 -0.15 0.00 0.51 0.00 0.00 43.02 42.81 1p84 s PHE 230 CO 0.04 -0.06 1.23 -0.25 0.70 0.00 0.00 175.22 176.88 1p84 n ASP 231 N 1.56 1.83 -3.11 1.36 8.00 -1.26 -2.91 116.55 122.02 1p84 n ASP 231 Ca -0.22 1.15 -0.22 0.00 0.71 0.00 0.00 54.79 56.21 1p84 n ASP 231 Cb 0.55 -1.30 0.02 0.00 -0.02 0.00 0.00 41.12 40.37 1p84 n ASP 231 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1p84 n ASP 232 N 1.97 -5.21 -0.31 -2.24 9.92 0.17 -4.87 116.55 115.98 1p84 n ASP 232 Ca 0.13 -0.30 0.14 0.00 -0.53 0.00 0.00 54.79 54.23 1p84 n ASP 232 Cb 0.28 -4.24 0.52 0.00 -0.64 0.00 0.00 41.12 37.03 1p84 n ASP 232 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1p84 n MET 233 N -3.87 1.17 -4.28 -1.24 0.00 -1.15 -4.81 117.12 102.94 1p84 n MET 233 Ca -0.08 -0.62 -0.18 0.00 0.00 0.00 0.00 57.70 56.83 1p84 n MET 233 Cb 0.59 -1.49 -0.14 0.00 0.00 0.00 0.00 33.22 32.19 1p84 n MET 233 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1p84 s VAL 234 N -2.25 0.69 -0.76 3.17 1.01 -1.26 -5.07 120.40 115.93 1p84 s VAL 234 Ca 0.32 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1p84 s VAL 234 Cb 0.20 -0.61 0.20 0.00 0.00 0.00 0.00 36.38 36.17 1p84 s VAL 234 CO 0.42 0.08 0.64 -0.70 0.00 0.00 0.00 175.10 175.54 1p84 s GLU 235 N -0.51 3.11 -0.06 2.72 2.12 -1.26 -4.62 118.70 120.19 1p84 s GLU 235 Ca 0.01 -2.65 -0.35 0.00 0.36 0.00 0.00 54.97 52.34 1p84 s GLU 235 Cb -0.05 -4.05 -0.13 0.00 0.26 0.00 0.00 34.13 30.17 1p84 s GLU 235 CO 0.00 -1.23 1.79 0.66 -0.54 0.00 0.00 175.26 175.94 1p84 n TYR 236 N 3.45 2.26 0.25 5.30 0.53 -1.26 -4.85 117.16 122.84 1p84 n TYR 236 Ca 0.13 0.13 0.15 0.00 -1.02 0.00 0.00 57.90 57.29 1p84 n TYR 236 Cb 0.41 -2.61 0.85 0.00 -1.03 0.00 0.00 39.34 36.96 1p84 n TYR 236 CO 0.00 0.00 0.00 1.49 -1.02 0.00 0.00 176.86 177.33 1p84 h GLU 237 N 8.23 0.00 -0.19 -0.72 4.81 -1.96 -1.46 114.58 123.28 1p84 h GLU 237 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1p84 h GLU 237 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1p84 h GLU 237 CO 0.93 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 1p84 n ASP 238 N -3.92 1.91 0.00 1.04 5.75 -1.26 -4.94 116.55 115.13 1p84 n ASP 238 Ca -0.01 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1p84 n ASP 238 Cb 0.18 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1p84 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p84 n GLY 239 N 1.18 3.27 3.62 6.12 0.00 -0.55 -5.04 105.19 113.78 1p84 n GLY 239 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1p84 n GLY 239 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p84 n THR 240 N -1.81 1.78 -1.88 2.61 -1.04 -1.26 -4.88 114.28 107.80 1p84 n THR 240 Ca 0.00 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.05 61.14 1p84 n THR 240 Cb 0.00 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 1p84 n THR 240 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1p84 s PRO 241 N -1.39 3.75 -1.56 -2.82 0.02 -1.26 -4.44 135.00 127.29 1p84 s PRO 241 Ca 0.60 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.52 1p84 s PRO 241 Cb -0.69 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 29.65 1p84 s PRO 241 CO 0.59 -1.38 2.70 0.00 -0.33 0.00 0.00 177.00 178.58 1p84 n ALA 242 N 8.91 6.87 -1.58 -1.55 0.00 -1.26 -4.85 120.51 127.05 1p84 n ALA 242 Ca 0.22 -3.67 -0.31 0.00 0.00 0.00 0.00 53.44 49.68 1p84 n ALA 242 Cb 0.44 -3.41 0.05 0.00 0.00 0.00 0.00 19.45 16.53 1p84 n ALA 242 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p84 s THR 243 N 2.39 4.05 0.34 0.00 -4.23 -1.26 -0.66 115.64 116.26 1p84 s THR 243 Ca 0.62 0.67 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 1p84 s THR 243 Cb 0.17 -3.41 0.28 0.00 1.34 0.00 0.00 72.50 70.87 1p84 s THR 243 CO -0.07 -0.86 1.96 0.71 -0.54 0.00 0.00 174.62 175.82 1p84 h THR 244 N -0.69 1.10 -0.11 3.99 1.35 -1.92 -1.49 112.91 115.14 1p84 h THR 244 Ca -0.44 -0.31 -0.17 0.00 -0.55 0.00 0.00 66.41 64.94 1p84 h THR 244 Cb 1.21 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1p84 h THR 244 CO 0.57 0.16 -0.65 0.77 -0.25 0.00 0.00 175.52 176.12 1p84 h SER 245 N 0.90 0.50 -0.57 5.36 4.64 -1.97 -1.89 113.55 120.52 1p84 h SER 245 Ca 0.31 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1p84 h SER 245 Cb 0.09 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1p84 h SER 245 CO -0.09 1.02 0.03 -0.61 -0.87 0.00 0.00 176.83 176.30 1p84 h GLN 246 N 0.31 1.01 -0.23 4.77 5.75 -1.70 -0.68 115.11 124.35 1p84 h GLN 246 Ca -0.01 -0.30 -0.16 0.00 -0.15 0.00 0.00 58.65 58.03 1p84 h GLN 246 Cb 1.20 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1p84 h GLN 246 CO 0.11 0.98 -0.49 0.52 -2.65 0.00 0.00 178.83 177.30 1p84 h MET 247 N 0.94 0.74 -0.37 1.69 2.86 -1.24 -2.20 114.93 117.35 1p84 h MET 247 Ca 0.18 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1p84 h MET 247 Cb 0.50 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1p84 h MET 247 CO 0.02 1.11 0.20 0.00 1.06 0.00 0.00 176.91 179.30 1p84 h ALA 248 N 0.62 0.47 -0.57 6.32 0.00 -1.22 -0.97 119.26 123.91 1p84 h ALA 248 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1p84 h ALA 248 Cb 1.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1p84 h ALA 248 CO 0.11 0.00 0.38 -0.22 0.00 0.00 0.00 179.25 179.52 1p84 h LYS 249 N 0.47 0.45 0.08 0.00 3.11 -1.08 -2.35 116.57 117.24 1p84 h LYS 249 Ca 0.13 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1p84 h LYS 249 Cb 0.07 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1p84 h LYS 249 CO -0.02 0.30 -0.04 -0.44 -2.81 0.00 0.00 179.45 176.44 1p84 h ASP 250 N 0.47 -0.09 -0.58 4.20 3.32 -0.67 -3.10 116.42 119.97 1p84 h ASP 250 Ca 0.25 -0.38 0.09 0.00 0.02 0.00 0.00 57.03 57.01 1p84 h ASP 250 Cb 0.40 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1p84 h ASP 250 CO -0.07 0.56 0.21 -0.37 -1.72 0.00 0.00 179.24 177.84 1p84 h VAL 251 N -0.96 0.78 -0.67 -1.35 -1.51 -1.13 -1.23 116.25 110.17 1p84 h VAL 251 Ca -0.01 -0.13 0.08 0.00 -1.23 0.00 0.00 66.70 65.41 1p84 h VAL 251 Cb 0.47 0.36 -0.07 0.00 -2.13 0.00 0.00 31.29 29.92 1p84 h VAL 251 CO 0.02 0.07 0.33 0.74 -1.23 0.00 0.00 177.57 177.50 1p84 h THR 252 N 0.38 0.87 -0.63 7.19 2.02 -1.57 0.73 112.91 121.90 1p84 h THR 252 Ca 0.29 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1p84 h THR 252 Cb 0.35 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1p84 h THR 252 CO -0.29 0.11 0.28 0.74 0.37 0.00 0.00 175.52 176.72 1p84 h THR 253 N 0.58 1.23 -0.33 3.16 2.02 -1.23 0.95 112.91 119.29 1p84 h THR 253 Ca 0.32 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1p84 h THR 253 Cb 0.31 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1p84 h THR 253 CO -0.25 0.27 -0.16 0.15 0.37 0.00 0.00 175.52 175.90 1p84 h PHE 254 N 0.88 0.66 0.00 3.16 3.57 -0.10 -1.80 116.94 123.31 1p84 h PHE 254 Ca 0.21 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1p84 h PHE 254 Cb 0.17 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1p84 h PHE 254 CO 0.01 0.73 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.28 1p84 h LEU 255 N 0.55 0.00 -0.26 0.59 3.38 0.10 -1.60 115.31 118.07 1p84 h LEU 255 Ca 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1p84 h LEU 255 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1p84 h LEU 255 CO 0.04 0.47 -0.43 -1.13 0.09 0.00 0.00 178.44 177.48 1p84 h ASN 256 N 0.00 0.84 -0.66 -0.43 -0.00 -0.33 -2.61 115.58 112.39 1p84 h ASN 256 Ca -0.00 -0.52 -0.07 0.00 -0.00 0.00 0.00 56.30 55.71 1p84 h ASN 256 Cb 1.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 39.05 1p84 h ASN 256 CO 0.06 1.20 0.16 -0.25 -0.00 0.00 0.00 177.43 178.60 1p84 h TRP 257 N 0.50 1.12 -0.75 0.67 7.01 -1.13 0.08 115.95 123.45 1p84 h TRP 257 Ca 0.02 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 60.94 1p84 h TRP 257 Cb 1.03 -0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 1p84 h TRP 257 CO 0.08 0.92 0.46 0.00 -2.79 0.00 0.00 178.44 177.10 1p84 h ALA 259 N 1.36 0.29 -2.17 0.00 0.00 -1.13 -3.38 119.26 114.22 1p84 h ALA 259 Ca 0.32 -0.79 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 1p84 h ALA 259 Cb 0.13 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.48 1p84 h ALA 259 CO -0.16 0.91 -0.83 0.39 0.00 0.00 0.00 179.25 179.57 1p84 n GLU 260 N -3.63 2.33 0.26 0.00 1.02 -0.01 -4.93 120.64 115.68 1p84 n GLU 260 Ca -0.06 -4.30 0.18 0.00 -0.02 0.00 0.00 57.16 52.95 1p84 n GLU 260 Cb 0.91 -2.02 0.91 0.00 -0.02 0.00 0.00 31.44 31.22 1p84 n GLU 260 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1p84 h PRO 261 N 3.20 0.00 -0.00 3.49 0.13 -1.35 -0.83 132.00 136.64 1p84 h PRO 261 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1p84 h PRO 261 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1p84 h PRO 261 CO 0.71 0.00 -0.01 -0.85 -0.23 0.00 0.00 178.00 177.61 1p84 n GLU 262 N -3.49 0.04 -0.03 0.86 0.00 -1.26 -4.54 120.64 112.23 1p84 n GLU 262 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1p84 n GLU 262 Cb 0.28 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.21 1p84 n GLU 262 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1p84 n HIS 263 N -1.48 -0.03 -0.15 -1.84 -0.00 -0.32 -0.18 115.22 111.22 1p84 n HIS 263 Ca 0.08 0.08 -0.04 0.00 0.46 0.00 0.00 57.72 58.30 1p84 n HIS 263 Cb 0.33 -0.30 0.05 0.00 -0.12 0.00 0.00 29.99 29.95 1p84 n HIS 263 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1p84 h ASP 264 N 0.00 0.15 -0.36 0.26 3.32 -1.85 -2.19 116.42 115.75 1p84 h ASP 264 Ca 0.01 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1p84 h ASP 264 Cb 0.03 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1p84 h ASP 264 CO -0.06 0.12 0.05 -0.08 -1.72 0.00 0.00 179.24 177.54 1p84 h GLU 265 N 0.32 0.60 -0.82 3.56 4.57 -1.71 -2.86 114.58 118.24 1p84 h GLU 265 Ca 0.22 -0.17 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 1p84 h GLU 265 Cb 0.24 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1p84 h GLU 265 CO -0.24 0.68 0.48 -0.09 -1.18 0.00 0.00 179.01 178.66 1p84 h ARG 266 N 0.43 0.79 0.00 1.92 2.43 -0.17 -1.32 114.38 118.46 1p84 h ARG 266 Ca 0.11 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1p84 h ARG 266 Cb 0.37 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1p84 h ARG 266 CO 0.01 0.52 -0.43 0.87 -1.51 0.00 0.00 179.97 179.43 1p84 h LYS 267 N 0.81 0.00 -0.03 0.20 1.57 -1.36 -1.31 116.57 116.46 1p84 h LYS 267 Ca 0.39 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1p84 h LYS 267 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1p84 h LYS 267 CO -0.23 0.43 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.94 1p84 h ARG 268 N 0.00 0.08 -0.50 3.15 2.43 -1.06 -2.66 114.38 115.82 1p84 h ARG 268 Ca -0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1p84 h ARG 268 Cb 0.88 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1p84 h ARG 268 CO 0.06 0.61 0.33 -0.07 -1.51 0.00 0.00 179.97 179.38 1p84 h LEU 269 N -0.45 0.54 -0.68 3.80 3.38 -1.22 -2.37 115.31 118.32 1p84 h LEU 269 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1p84 h LEU 269 Cb 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1p84 h LEU 269 CO 0.01 0.38 0.32 1.23 0.09 0.00 0.00 178.44 180.47 1p84 h GLY 270 N 0.63 1.05 1.12 0.83 0.00 -1.15 -1.32 103.07 104.24 1p84 h GLY 270 Ca 0.19 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1p84 h GLY 270 CO -0.04 0.50 0.43 -2.00 0.00 0.00 0.00 176.54 175.42 1p84 h LEU 271 N 0.94 1.03 0.04 3.11 5.85 -1.07 -0.43 115.31 124.78 1p84 h LEU 271 Ca 0.23 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1p84 h LEU 271 Cb 0.13 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1p84 h LEU 271 CO -0.03 0.84 -0.02 0.11 -0.34 0.00 0.00 178.44 179.01 1p84 h LYS 272 N 1.15 -0.05 -0.50 1.25 1.57 -1.31 -2.80 116.57 115.87 1p84 h LYS 272 Ca 0.29 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1p84 h LYS 272 Cb 0.06 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1p84 h LYS 272 CO -0.04 0.32 0.21 1.15 -0.57 0.00 0.00 179.45 180.52 1p84 h THR 273 N -0.43 0.88 -0.05 -0.16 2.02 -1.04 -2.32 112.91 111.82 1p84 h THR 273 Ca -0.01 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1p84 h THR 273 Cb 0.39 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1p84 h THR 273 CO 0.01 0.08 -0.43 0.58 0.37 0.00 0.00 175.52 176.12 1p84 h VAL 274 N 0.41 1.32 -0.16 3.16 2.07 -1.13 -2.10 116.25 119.83 1p84 h VAL 274 Ca 0.24 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.09 1p84 h VAL 274 Cb 0.21 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1p84 h VAL 274 CO -0.21 0.45 -0.43 0.40 0.02 0.00 0.00 177.57 177.79 1p84 h ILE 275 N 0.08 1.34 0.06 4.57 2.04 -1.18 -1.94 117.51 122.48 1p84 h ILE 275 Ca 0.00 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1p84 h ILE 275 Cb 0.80 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1p84 h ILE 275 CO 0.06 0.52 -0.03 0.40 0.00 0.00 0.00 178.15 179.10 1p84 h ILE 276 N 0.21 1.11 -0.57 -0.67 2.04 -1.40 -2.17 117.51 116.07 1p84 h ILE 276 Ca -0.01 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1p84 h ILE 276 Cb 1.05 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1p84 h ILE 276 CO 0.09 0.14 0.29 -0.07 0.00 0.00 0.00 178.15 178.60 1p84 h LEU 277 N -0.33 0.70 -0.07 1.44 3.38 -1.46 0.98 115.31 119.96 1p84 h LEU 277 Ca -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1p84 h LEU 277 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1p84 h LEU 277 CO 0.01 0.59 0.03 0.28 0.09 0.00 0.00 178.44 179.44 1p84 h SER 278 N 0.79 0.09 -0.38 -0.43 0.02 -1.28 0.14 113.55 112.52 1p84 h SER 278 Ca 0.20 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1p84 h SER 278 Cb 0.06 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1p84 h SER 278 CO -0.03 0.22 0.24 0.28 -1.14 0.00 0.00 176.83 176.40 1p84 h SER 279 N -0.04 0.41 -0.78 3.07 0.02 -0.85 -1.38 113.55 113.99 1p84 h SER 279 Ca 0.02 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1p84 h SER 279 Cb 0.16 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1p84 h SER 279 CO -0.00 0.29 0.50 -0.07 -1.14 0.00 0.00 176.83 176.42 1p84 h LEU 280 N 0.49 0.85 -0.06 5.07 4.07 -0.64 -0.42 115.31 124.66 1p84 h LEU 280 Ca 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1p84 h LEU 280 Cb -0.04 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.50 1p84 h LEU 280 CO -0.04 0.59 0.04 0.22 -1.08 0.00 0.00 178.44 178.17 1p84 h TYR 281 N 1.00 0.09 -0.27 1.13 3.20 -0.40 -0.87 116.97 120.84 1p84 h TYR 281 Ca 0.30 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1p84 h TYR 281 Cb -0.03 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1p84 h TYR 281 CO -0.03 0.13 0.14 -0.07 -1.64 0.00 0.00 178.16 176.69 1p84 h LEU 282 N 0.02 0.34 -0.94 2.82 3.38 -1.00 -2.94 115.31 116.99 1p84 h LEU 282 Ca 0.02 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1p84 h LEU 282 Cb 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1p84 h LEU 282 CO -0.00 0.35 0.60 -0.07 0.09 0.00 0.00 178.44 179.40 1p84 h LEU 283 N 0.31 0.97 -1.13 1.67 4.07 -0.95 -2.50 115.31 117.75 1p84 h LEU 283 Ca 0.09 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1p84 h LEU 283 Cb 0.09 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1p84 h LEU 283 CO -0.01 0.63 0.20 0.77 -1.08 0.00 0.00 178.44 178.95 1p84 h SER 284 N 1.12 0.74 -0.17 -0.43 4.64 -0.99 -1.78 113.55 116.67 1p84 h SER 284 Ca 0.40 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1p84 h SER 284 Cb 0.12 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1p84 h SER 284 CO -0.16 0.68 0.10 0.40 -0.87 0.00 0.00 176.83 176.99 1p84 h ILE 285 N 0.80 1.08 -0.09 0.95 2.04 -1.31 0.33 117.51 121.30 1p84 h ILE 285 Ca 0.19 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1p84 h ILE 285 Cb 0.19 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1p84 h ILE 285 CO -0.01 0.07 0.06 -0.25 0.00 0.00 0.00 178.15 178.02 1p84 h TRP 286 N 0.20 0.11 -0.85 1.37 7.01 -1.39 -1.08 115.95 121.31 1p84 h TRP 286 Ca 0.06 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1p84 h TRP 286 Cb 0.03 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 1p84 h TRP 286 CO -0.05 0.07 0.56 0.28 -2.79 0.00 0.00 178.44 176.52 1p84 h VAL 287 N 0.11 1.22 -0.33 2.65 2.07 -1.16 -2.05 116.25 118.77 1p84 h VAL 287 Ca 0.03 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1p84 h VAL 287 Cb -0.01 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1p84 h VAL 287 CO -0.01 0.21 0.13 0.50 0.02 0.00 0.00 177.57 178.42 1p84 h LYS 288 N 1.15 0.50 -0.92 1.57 3.11 -0.64 -1.54 116.57 119.80 1p84 h LYS 288 Ca 0.31 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1p84 h LYS 288 Cb -0.13 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 30.97 1p84 h LYS 288 CO -0.07 0.50 0.55 0.87 -2.81 0.00 0.00 179.45 178.49 1p84 h LYS 289 N 0.39 1.25 0.14 1.90 1.57 -0.91 -1.10 116.57 119.79 1p84 h LYS 289 Ca 0.11 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1p84 h LYS 289 Cb 0.19 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1p84 h LYS 289 CO -0.01 0.88 -0.07 0.35 -0.57 0.00 0.00 179.45 180.03 1p84 h PHE 290 N 1.26 -0.17 0.00 -1.35 3.04 -1.16 -0.96 116.94 117.60 1p84 h PHE 290 Ca 0.33 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.27 1p84 h PHE 290 Cb -0.05 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1p84 h PHE 290 CO 0.00 0.01 -0.02 0.87 -2.02 0.00 0.00 178.31 177.16 1p84 h LYS 291 N -0.33 0.00 0.00 1.11 1.57 -0.98 -2.82 116.57 115.12 1p84 h LYS 291 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1p84 h LYS 291 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1p84 h LYS 291 CO 0.03 0.02 -1.59 0.91 -0.57 0.00 0.00 179.45 178.25 1p84 n TRP 292 N -3.30 0.25 -0.42 -1.35 7.02 -0.45 -4.61 117.44 114.57 1p84 n TRP 292 Ca -0.02 0.07 0.35 0.00 -1.02 0.00 0.00 57.50 56.87 1p84 n TRP 292 Cb 0.12 -0.56 0.63 0.00 -2.42 0.00 0.00 31.31 29.08 1p84 n TRP 292 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1p84 h ALA 293 N 2.14 2.69 -0.44 6.99 0.00 -0.92 -0.25 119.26 129.47 1p84 h ALA 293 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1p84 h ALA 293 Cb 0.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1p84 h ALA 293 CO 0.00 -1.26 -0.24 0.78 0.00 0.00 0.00 179.25 178.52 1p84 h GLY 294 N 0.14 1.00 0.89 0.00 0.00 -1.81 -2.74 103.07 100.54 1p84 h GLY 294 Ca 0.77 -0.90 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1p84 h GLY 294 CO -0.36 0.82 -0.64 -2.22 0.00 0.00 0.00 176.54 174.13 1p84 h ILE 295 N 0.79 1.38 -0.50 2.60 1.08 -1.41 -3.07 117.51 118.38 1p84 h ILE 295 Ca 0.10 -2.03 0.03 0.00 -0.39 0.00 0.00 64.86 62.57 1p84 h ILE 295 Cb 0.81 2.43 -0.04 0.00 -3.07 0.00 0.00 36.82 36.95 1p84 h ILE 295 CO 0.07 0.60 0.29 0.11 -0.69 0.00 0.00 178.15 178.53 1p84 h LYS 296 N 0.06 0.55 -0.30 2.37 1.79 -1.32 -2.60 116.57 117.12 1p84 h LYS 296 Ca -0.07 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1p84 h LYS 296 Cb 1.33 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1p84 h LYS 296 CO 0.13 0.36 0.00 0.25 -1.08 0.00 0.00 179.45 179.11 1p84 n THR 297 N -4.83 0.40 -1.69 -0.16 -2.24 -1.04 -4.96 114.28 99.76 1p84 n THR 297 Ca 0.04 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 1p84 n THR 297 Cb 0.09 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1p84 n THR 297 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1p84 n ARG 298 N 0.76 1.94 -4.56 -0.78 0.63 -0.98 -5.02 116.66 108.66 1p84 n ARG 298 Ca 0.17 0.69 -0.21 0.00 -0.92 0.00 0.00 57.85 57.57 1p84 n ARG 298 Cb 0.42 -2.35 -0.15 0.00 0.45 0.00 0.00 32.46 30.83 1p84 n ARG 298 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1p84 s LYS 299 N -2.11 1.05 0.22 -0.14 1.02 -1.26 -5.07 119.74 113.45 1p84 s LYS 299 Ca 0.60 -0.53 0.10 0.00 0.02 0.00 0.00 55.97 56.16 1p84 s LYS 299 Cb -0.53 -1.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1p84 s LYS 299 CO 0.59 0.28 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.13 1p84 s PHE 300 N -0.41 2.55 -0.07 3.18 0.40 -1.26 -5.15 117.98 117.22 1p84 s PHE 300 Ca 0.04 -0.26 -0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1p84 s PHE 300 Cb -0.06 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.31 1p84 s PHE 300 CO -0.00 0.58 0.18 0.14 0.70 0.00 0.00 175.22 176.82 1p84 s VAL 301 N -2.02 -0.02 -0.12 -0.44 -7.23 -1.26 -5.16 120.40 104.15 1p84 s VAL 301 Ca 0.27 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1p84 s VAL 301 Cb -0.07 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 1p84 s VAL 301 CO 0.16 0.03 -0.11 0.12 -0.31 0.00 0.00 175.10 174.99 1p84 s PHE 302 N 0.59 2.85 -0.37 2.82 5.36 -1.26 -5.07 117.98 122.91 1p84 s PHE 302 Ca -0.04 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.46 1p84 s PHE 302 Cb -0.06 -1.84 0.12 0.00 -0.34 0.00 0.00 43.02 40.90 1p84 s PHE 302 CO -0.03 -0.10 0.16 -0.80 -1.46 0.00 0.00 175.22 172.99 1p84 s ASN 303 N 0.16 3.94 -0.38 6.13 0.01 -1.26 -5.10 114.94 118.44 1p84 s ASN 303 Ca -0.06 -2.14 -0.42 0.00 -0.71 0.00 0.00 52.86 49.54 1p84 s ASN 303 Cb -0.15 -1.02 -0.17 0.00 0.41 0.00 0.00 41.25 40.32 1p84 s ASN 303 CO 0.04 -0.35 1.85 -2.65 -1.51 0.00 0.00 177.10 174.49 1p84 n PRO 304 N 4.20 0.66 -1.99 -0.60 -0.02 -1.26 -4.89 135.00 131.09 1p84 n PRO 304 Ca 0.03 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1p84 n PRO 304 Cb 0.39 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1p84 n PRO 304 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1p84 s PRO 305 N 4.28 4.26 0.41 0.52 0.02 -1.26 -5.00 135.00 138.23 1p84 s PRO 305 Ca 1.06 2.35 -0.22 0.00 0.02 0.00 0.00 61.00 64.21 1p84 s PRO 305 Cb -1.22 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 30.17 1p84 s PRO 305 CO 0.67 -0.33 0.97 0.15 -0.33 0.00 0.00 177.00 178.14 1p84 s LYS 306 N -1.85 4.24 0.00 5.54 1.02 -1.26 -5.35 119.74 122.09 1p84 s LYS 306 Ca 0.51 1.24 0.13 0.00 0.02 0.00 0.00 55.97 57.87 1p84 s LYS 306 Cb -0.42 -2.34 0.79 0.00 -0.52 0.00 0.00 37.83 35.34 1p84 s LYS 306 CO 0.56 -0.03 1.22 -0.35 -0.92 0.00 0.00 175.35 175.83