#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opu s SER 6 N 0.00 -0.14 0.44 4.38 1.04 -1.26 -1.79 113.70 116.37 2opu s SER 6 Ca 0.00 0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.75 2opu s SER 6 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2opu s SER 6 CO 0.00 -0.11 0.67 -0.44 0.98 0.00 0.00 173.24 174.34 2opu s SER 7 N 0.70 5.92 -0.27 7.02 0.01 0.11 -4.94 113.70 122.26 2opu s SER 7 Ca -0.05 0.38 -0.10 0.00 1.31 0.00 0.00 55.95 57.48 2opu s SER 7 Cb -0.07 -1.67 0.11 0.00 0.21 0.00 0.00 66.02 64.61 2opu s SER 7 CO -0.04 -0.64 0.60 -1.58 0.41 0.00 0.00 173.24 171.99 2opu s GLN 8 N -4.55 0.54 -0.48 12.44 0.74 -1.26 -0.40 119.66 126.69 2opu s GLN 8 Ca 0.47 1.33 -0.14 0.00 0.05 0.00 0.00 55.36 57.07 2opu s GLN 8 Cb -0.10 0.66 0.09 0.00 1.10 0.00 0.00 33.01 34.76 2opu s GLN 8 CO 0.38 -0.20 0.39 -0.51 -0.55 0.00 0.00 175.29 174.80 2opu s LEU 9 N 2.65 5.65 -0.60 3.68 2.01 0.12 -4.93 118.68 127.26 2opu s LEU 9 Ca -0.06 -1.45 0.06 0.00 0.01 0.00 0.00 54.13 52.69 2opu s LEU 9 Cb -0.11 -2.15 0.26 0.00 0.01 0.00 0.00 46.19 44.19 2opu s LEU 9 CO -0.18 -0.67 0.73 0.61 1.01 0.00 0.00 176.35 177.86 2opu n GLY 10 N 5.16 4.63 0.10 -3.19 0.00 -1.26 -1.62 105.19 109.00 2opu n GLY 10 Ca -0.12 -2.63 -0.02 0.00 0.00 0.00 0.00 46.02 43.25 2opu n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2opu h PRO 11 N 4.08 0.00 -6.76 1.61 0.13 -1.84 -3.46 132.00 125.76 2opu h PRO 11 Ca 0.18 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.63 2opu h PRO 11 Cb 0.68 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.57 2opu h PRO 11 CO 0.79 0.55 -0.87 0.42 -0.23 0.00 0.00 178.00 178.66 2opu s ILE 12 N -2.83 2.15 -1.69 -3.56 -1.09 -1.26 -5.07 121.20 107.85 2opu s ILE 12 Ca -0.00 -1.56 0.14 0.00 -2.23 0.00 0.00 60.65 57.00 2opu s ILE 12 Cb 0.09 -1.88 0.47 0.00 -1.58 0.00 0.00 42.46 39.56 2opu s ILE 12 CO 0.80 0.21 1.37 1.57 -1.23 0.00 0.00 174.94 177.65 2opu n HIS 13 N 1.34 0.83 -0.04 3.97 -0.00 -1.26 -3.97 115.22 116.09 2opu n HIS 13 Ca -0.18 -0.37 0.00 0.00 0.46 0.00 0.00 57.72 57.63 2opu n HIS 13 Cb 0.53 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2opu n HIS 13 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2opu n PRO 14 N 0.87 -0.99 -0.60 1.57 -0.04 -1.26 -5.02 135.00 129.53 2opu n PRO 14 Ca 0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.33 2opu n PRO 14 Cb 0.52 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.19 2opu n PRO 14 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2opu n PRO 15 N -1.34 -1.72 -0.06 0.54 -0.02 -1.26 -4.66 135.00 126.47 2opu n PRO 15 Ca 0.00 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 2opu n PRO 15 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2opu n PRO 16 N -3.61 0.36 -0.46 0.52 -0.04 -1.26 -3.47 135.00 127.03 2opu n PRO 16 Ca 0.04 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2opu n PRO 16 Cb 0.56 -1.32 0.30 0.00 -0.04 0.00 0.00 33.50 33.00 2opu n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2opu n ARG 17 N 1.19 3.06 0.00 0.54 1.85 -1.18 -2.48 116.66 119.64 2opu n ARG 17 Ca 0.00 -2.41 0.00 0.00 -1.00 0.00 0.00 57.85 54.44 2opu n ARG 17 Cb 0.18 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2opu n THR 18 N 1.09 0.00 1.36 8.89 5.66 -1.23 -4.86 114.28 125.19 2opu n THR 18 Ca 0.22 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.37 2opu n THR 18 Cb 0.70 0.00 0.74 0.00 -1.55 0.00 0.00 70.33 70.22 2opu n THR 18 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2opu n SER 19 N 0.00 0.00 -2.74 1.09 7.64 -1.23 -3.99 113.62 114.40 2opu n SER 19 Ca 0.00 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.76 2opu n SER 19 Cb 0.00 -0.32 0.09 0.00 -1.01 0.00 0.00 64.21 62.97 2opu n SER 19 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2opu n MET 20 N -1.32 1.05 -2.52 1.43 0.00 -1.17 -4.02 117.12 110.58 2opu n MET 20 Ca 0.13 -1.95 -0.43 0.00 0.00 0.00 0.00 57.70 55.45 2opu n MET 20 Cb 0.26 -0.87 -0.02 0.00 0.00 0.00 0.00 33.22 32.59 2opu n MET 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2opu s THR 21 N 0.17 4.13 -0.28 3.17 2.01 -0.64 -4.74 115.64 119.46 2opu s THR 21 Ca 0.22 1.17 -0.12 0.00 0.31 0.00 0.00 61.69 63.28 2opu s THR 21 Cb 0.31 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2opu s THR 21 CO -0.06 -0.87 0.24 -0.70 -0.69 0.00 0.00 174.62 172.55 2opu s GLU 22 N 4.53 3.93 -0.58 4.92 2.12 -0.91 0.11 118.70 132.82 2opu s GLU 22 Ca 0.52 -0.26 -0.20 0.00 0.36 0.00 0.00 54.97 55.39 2opu s GLU 22 Cb -0.10 -3.67 0.08 0.00 0.26 0.00 0.00 34.13 30.70 2opu s GLU 22 CO 0.30 -0.23 0.76 -2.00 -0.54 0.00 0.00 175.26 173.56 2opu s GLU 23 N 1.84 3.10 -0.17 4.30 2.56 0.47 -0.89 118.70 129.92 2opu s GLU 23 Ca 0.09 -1.00 -0.19 0.00 0.00 0.00 0.00 54.97 53.87 2opu s GLU 23 Cb -0.16 -4.19 -0.03 0.00 2.00 0.00 0.00 34.13 31.74 2opu s GLU 23 CO 0.11 -1.51 0.54 -0.47 -0.56 0.00 0.00 175.26 173.36 2opu s TYR 24 N 3.10 3.43 -0.68 5.30 6.14 0.84 0.09 117.35 135.57 2opu s TYR 24 Ca 0.16 0.87 -0.20 0.00 0.64 0.00 0.00 57.07 58.54 2opu s TYR 24 Cb -0.20 -2.66 0.10 0.00 0.42 0.00 0.00 41.96 39.61 2opu s TYR 24 CO 0.10 -0.02 0.89 1.03 0.64 0.00 0.00 175.55 178.19 2opu s ARG 25 N 1.31 3.18 -0.22 4.97 0.52 -0.74 -0.87 118.95 127.10 2opu s ARG 25 Ca 0.26 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2opu s ARG 25 Cb -0.16 -4.36 0.04 0.00 0.52 0.00 0.00 34.95 31.00 2opu s ARG 25 CO 0.11 -1.70 -0.14 0.54 0.02 0.00 0.00 175.30 174.12 2opu s VAL 26 N 3.23 2.08 1.04 3.52 0.11 -0.10 -4.81 120.40 125.47 2opu s VAL 26 Ca 0.20 -1.31 -0.13 0.00 -2.93 0.00 0.00 61.98 57.81 2opu s VAL 26 Cb -0.17 -2.07 0.17 0.00 -1.53 0.00 0.00 36.38 32.78 2opu s VAL 26 CO 0.05 0.21 0.81 -2.65 -3.33 0.00 0.00 175.10 170.19 2opu n PRO 27 N 4.53 -1.25 -0.20 1.54 -0.02 -1.26 -1.76 135.00 136.57 2opu n PRO 27 Ca -0.17 -0.32 -0.01 0.00 -2.02 0.00 0.00 63.50 60.98 2opu n PRO 27 Cb 0.46 -2.12 0.10 0.00 -0.02 0.00 0.00 33.50 31.91 2opu n PRO 27 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2opu h ASP 28 N -2.13 0.31 -0.20 2.55 3.58 -1.92 0.27 116.42 118.89 2opu h ASP 28 Ca -0.51 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 2opu h ASP 28 Cb 1.31 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 2opu h ASP 28 CO 0.42 0.19 -0.01 1.23 -2.88 0.00 0.00 179.24 178.20 2opu h GLY 29 N 0.48 0.51 1.98 -0.78 0.00 -1.95 -2.79 103.07 100.52 2opu h GLY 29 Ca 0.29 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2opu h GLY 29 CO -0.26 0.28 -0.60 -0.33 0.00 0.00 0.00 176.54 175.63 2opu h MET 30 N 0.46 0.00 -0.13 4.80 2.86 -1.06 -2.30 114.93 119.56 2opu h MET 30 Ca 0.10 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 2opu h MET 30 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2opu h MET 30 CO 0.01 0.57 -0.52 -0.24 1.06 0.00 0.00 176.91 177.79 2opu h VAL 31 N 0.00 1.34 -0.03 -2.22 3.04 -0.46 0.31 116.25 118.23 2opu h VAL 31 Ca -0.01 -1.78 -0.06 0.00 -1.01 0.00 0.00 66.70 63.85 2opu h VAL 31 Cb 1.45 1.82 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 2opu h VAL 31 CO 0.07 0.54 -0.25 1.23 -1.01 0.00 0.00 177.57 178.15 2opu h GLY 32 N 1.26 0.05 1.30 3.17 0.00 -1.28 -2.75 103.07 104.81 2opu h GLY 32 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2opu h GLY 32 CO 0.09 0.03 -1.02 1.41 0.00 0.00 0.00 176.54 177.05 2opu h LEU 33 N 0.04 0.00 -0.83 3.11 -0.00 -1.00 -2.53 115.31 114.10 2opu h LEU 33 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2opu h LEU 33 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2opu h LEU 33 CO 0.03 0.40 -0.57 -0.29 -0.00 0.00 0.00 178.44 178.01 2opu h ILE 34 N 0.00 1.40 0.00 1.22 6.09 -0.18 -1.35 117.51 124.69 2opu h ILE 34 Ca -0.08 -1.95 0.00 0.00 -1.37 0.00 0.00 64.86 61.46 2opu h ILE 34 Cb 1.38 2.04 0.00 0.00 0.47 0.00 0.00 36.82 40.70 2opu h ILE 34 CO 0.04 0.56 -0.49 2.30 -3.07 0.00 0.00 178.15 177.49 2opu n ILE 35 N -3.87 0.33 0.00 2.19 -5.35 -1.06 -3.79 119.36 107.82 2opu n ILE 35 Ca -0.01 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2opu n ILE 35 Cb 0.58 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2opu n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2opu n GLY 36 N 1.36 0.22 0.00 3.28 0.00 -0.51 -1.74 105.19 107.80 2opu n GLY 36 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 46.02 46.71 2opu n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2opu n ARG 37 N 0.00 0.08 0.00 1.61 1.85 -1.26 -4.74 116.66 114.20 2opu n ARG 37 Ca 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 2opu n ARG 37 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2opu n ARG 37 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 38 N -0.67 1.01 0.00 2.89 0.00 -0.71 -4.83 105.19 102.88 2opu n GLY 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2opu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 39 N 0.00 2.01 0.29 -0.02 0.00 -0.86 -4.99 105.19 101.61 2opu n GLY 39 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2opu n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opu h GLU 40 N 0.00 0.00 -0.37 1.61 4.39 -1.88 -3.03 114.58 115.30 2opu h GLU 40 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2opu h GLU 40 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2opu h GLU 40 CO 0.00 0.01 0.13 0.37 -1.16 0.00 0.00 179.01 178.37 2opu h GLN 41 N 0.00 0.56 -0.27 2.33 -0.00 -1.83 -1.12 115.11 114.79 2opu h GLN 41 Ca -0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 2opu h GLN 41 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.41 2opu h GLN 41 CO 0.00 0.56 -0.13 0.97 0.00 0.00 0.00 178.83 180.23 2opu h ILE 42 N 0.45 1.22 -0.79 2.39 6.09 -1.62 0.32 117.51 125.57 2opu h ILE 42 Ca 0.12 -0.98 -0.02 0.00 -1.37 0.00 0.00 64.86 62.61 2opu h ILE 42 Cb 0.22 1.16 -0.04 0.00 0.47 0.00 0.00 36.82 38.63 2opu h ILE 42 CO -0.01 0.32 0.43 0.78 -3.07 0.00 0.00 178.15 176.60 2opu h ASN 43 N 0.42 0.99 0.06 2.19 2.35 -1.50 0.14 115.58 120.22 2opu h ASN 43 Ca 0.08 -0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 2opu h ASN 43 Cb 0.47 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2opu h ASN 43 CO 0.03 0.79 -0.79 0.11 -1.65 0.00 0.00 177.43 175.92 2opu h LYS 44 N 1.11 0.60 0.22 0.81 6.56 0.05 -2.09 116.57 123.83 2opu h LYS 44 Ca 0.28 -0.51 -0.01 0.00 -1.06 0.00 0.00 60.65 59.35 2opu h LYS 44 Cb 0.03 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2opu h LYS 44 CO -0.05 1.14 -0.11 0.82 -2.06 0.00 0.00 179.45 179.19 2opu h ILE 45 N 0.40 0.85 0.00 1.86 2.04 0.19 0.19 117.51 123.04 2opu h ILE 45 Ca -0.05 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2opu h ILE 45 Cb 1.40 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2opu h ILE 45 CO 0.15 0.09 -0.13 0.06 0.00 0.00 0.00 178.15 178.32 2opu h GLN 46 N -0.50 0.00 0.11 2.37 -0.00 -0.84 -1.80 115.11 114.46 2opu h GLN 46 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.32 2opu h GLN 46 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 2opu h GLN 46 CO 0.05 0.13 -1.51 0.37 -0.00 0.00 0.00 178.83 177.87 2opu h GLN 47 N 0.00 0.24 -0.41 0.06 5.75 -1.31 -1.29 115.11 118.16 2opu h GLN 47 Ca -0.00 -0.41 -0.15 0.00 -0.15 0.00 0.00 58.65 57.94 2opu h GLN 47 Cb 0.80 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 2opu h GLN 47 CO 0.02 1.11 -0.33 0.22 -2.65 0.00 0.00 178.83 177.20 2opu h ASP 48 N 0.07 0.97 0.22 -0.69 3.58 -0.43 -3.28 116.42 116.86 2opu h ASP 48 Ca -0.24 -0.42 -0.35 0.00 0.42 0.00 0.00 57.03 56.45 2opu h ASP 48 Cb 2.01 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 42.81 2opu h ASP 48 CO 0.16 1.20 -1.68 0.77 -2.88 0.00 0.00 179.24 176.81 2opu h SER 49 N 0.77 0.67 0.00 2.28 4.64 -1.45 -3.48 113.55 116.97 2opu h SER 49 Ca 0.08 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2opu h SER 49 Cb 0.91 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2opu h SER 49 CO 0.08 1.76 0.00 0.61 -0.87 0.00 0.00 176.83 178.41 2opu n GLY 50 N 1.82 0.70 3.79 -0.77 0.00 -0.50 -4.33 105.19 105.90 2opu n GLY 50 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s LYS 52 N -2.40 4.00 -0.54 0.00 -0.14 0.56 -4.71 119.74 116.51 2opu s LYS 52 Ca 0.54 -2.22 -0.27 0.00 -1.36 0.00 0.00 55.97 52.65 2opu s LYS 52 Cb -0.15 -5.28 0.03 0.00 -1.68 0.00 0.00 37.83 30.75 2opu s LYS 52 CO 0.20 -2.00 1.10 0.08 -0.76 0.00 0.00 175.35 173.97 2opu s VAL 53 N 2.95 4.18 -0.48 3.17 1.01 -1.26 -3.20 120.40 126.77 2opu s VAL 53 Ca 0.47 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 63.08 2opu s VAL 53 Cb 0.00 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.80 2opu s VAL 53 CO 0.03 -1.18 0.53 -1.10 0.00 0.00 0.00 175.10 173.38 2opu s GLN 54 N 4.53 3.09 -0.45 2.72 -1.52 0.68 -4.97 119.66 123.74 2opu s GLN 54 Ca 0.40 -0.94 -0.28 0.00 -1.95 0.00 0.00 55.36 52.60 2opu s GLN 54 Cb -0.09 -4.07 0.03 0.00 -0.22 0.00 0.00 33.01 28.66 2opu s GLN 54 CO 0.25 -1.09 1.08 0.42 -0.25 0.00 0.00 175.29 175.71 2opu s ILE 55 N 2.31 4.30 -0.61 1.08 -1.09 -1.26 -1.27 121.20 124.66 2opu s ILE 55 Ca 0.12 1.19 -0.17 0.00 -2.23 0.00 0.00 60.65 59.56 2opu s ILE 55 Cb -0.20 -4.54 0.13 0.00 -1.58 0.00 0.00 42.46 36.27 2opu s ILE 55 CO 0.11 -0.90 0.64 -0.44 -1.23 0.00 0.00 174.94 173.12 2opu s SER 56 N 2.31 6.26 0.23 3.58 0.01 -0.07 -4.94 113.70 121.08 2opu s SER 56 Ca 0.45 -1.75 -0.08 0.00 1.31 0.00 0.00 55.95 55.88 2opu s SER 56 Cb -0.08 -2.26 0.20 0.00 0.21 0.00 0.00 66.02 64.09 2opu s SER 56 CO 0.28 -0.95 1.90 -0.65 0.41 0.00 0.00 173.24 174.24 2opu h PRO 57 N 8.90 1.15 -4.62 12.44 0.11 -1.94 -2.71 132.00 145.32 2opu h PRO 57 Ca -0.24 -0.07 -0.68 0.00 0.11 0.00 0.00 66.00 65.12 2opu h PRO 57 Cb 1.09 -0.26 -0.35 0.00 0.11 0.00 0.00 31.00 31.58 2opu h PRO 57 CO 1.04 0.76 -0.64 0.34 -0.21 0.00 0.00 178.00 179.29 2opu s ASP 58 N -6.00 5.02 0.43 -2.05 -1.08 -1.26 -4.66 116.67 107.08 2opu s ASP 58 Ca -0.13 -1.84 0.21 0.00 -0.52 0.00 0.00 52.55 50.27 2opu s ASP 58 Cb 0.16 -1.74 0.97 0.00 -1.46 0.00 0.00 42.92 40.85 2opu s ASP 58 CO 0.80 -0.42 1.87 -1.28 0.52 0.00 0.00 175.17 176.66 2opu h SER 59 N 7.93 0.00 0.00 -0.34 0.87 -1.68 -3.48 113.55 116.85 2opu h SER 59 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2opu h SER 59 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2opu h SER 59 CO 0.61 0.27 0.00 0.61 -0.53 0.00 0.00 176.83 177.78 2opu n GLY 60 N -0.19 2.04 0.21 5.77 0.00 -1.26 -4.30 105.19 107.45 2opu n GLY 60 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2opu n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2opu h GLY 61 N 0.00 0.12 -5.57 -0.02 0.00 -1.95 -3.43 103.07 92.22 2opu h GLY 61 Ca 0.00 -0.09 -0.65 0.00 0.00 0.00 0.00 47.33 46.59 2opu h GLY 61 CO 0.00 0.08 -0.41 1.08 0.00 0.00 0.00 176.54 177.29 2opu s LEU 62 N -8.43 4.38 0.50 3.11 1.43 -1.26 -4.97 118.68 113.44 2opu s LEU 62 Ca -0.04 0.56 0.30 0.00 -1.03 0.00 0.00 54.13 53.92 2opu s LEU 62 Cb 0.15 -2.20 1.08 0.00 0.03 0.00 0.00 46.19 45.24 2opu s LEU 62 CO 0.73 0.35 1.87 1.55 0.23 0.00 0.00 176.35 181.09 2opu h PRO 63 N 5.17 0.00 0.00 1.29 0.13 -1.97 -3.38 132.00 133.24 2opu h PRO 63 Ca -0.52 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.39 2opu h PRO 63 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 2opu h PRO 63 CO 0.61 0.00 0.01 -0.85 -0.23 0.00 0.00 178.00 177.54 2opu n GLU 64 N -3.02 0.59 -3.59 0.86 0.28 -1.26 -4.85 120.64 109.64 2opu n GLU 64 Ca 0.02 -1.32 -0.37 0.00 -0.16 0.00 0.00 57.16 55.32 2opu n GLU 64 Cb 0.36 -0.19 -0.06 0.00 1.43 0.00 0.00 31.44 32.98 2opu n GLU 64 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2opu s ARG 65 N -3.37 3.78 0.13 3.44 3.00 -0.72 -3.90 118.95 121.31 2opu s ARG 65 Ca 0.28 0.25 0.09 0.00 -1.00 0.00 0.00 55.73 55.34 2opu s ARG 65 Cb -0.02 -3.16 -0.04 0.00 0.00 0.00 0.00 34.95 31.73 2opu s ARG 65 CO 0.18 0.68 -0.15 -1.54 0.00 0.00 0.00 175.30 174.47 2opu s SER 66 N -1.25 4.06 -0.17 -2.12 1.04 -1.02 -0.92 113.70 113.32 2opu s SER 66 Ca 0.24 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 2opu s SER 66 Cb -0.15 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.38 2opu s SER 66 CO 0.13 0.16 -0.04 -0.69 0.98 0.00 0.00 173.24 173.79 2opu s VAL 67 N -1.27 1.02 -0.06 5.02 1.01 -0.04 -0.89 120.40 125.18 2opu s VAL 67 Ca 0.20 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 2opu s VAL 67 Cb -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2opu s VAL 67 CO 0.12 0.07 0.73 -0.44 0.00 0.00 0.00 175.10 175.58 2opu s SER 68 N 1.67 7.03 -0.19 3.32 0.01 -0.40 -0.11 113.70 125.02 2opu s SER 68 Ca 0.00 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.48 2opu s SER 68 Cb -0.16 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2opu s SER 68 CO -0.07 -0.13 -0.11 -0.76 0.41 0.00 0.00 173.24 172.57 2opu s LEU 69 N 0.83 2.61 -0.14 2.44 1.43 -0.06 -0.23 118.68 125.56 2opu s LEU 69 Ca 0.39 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2opu s LEU 69 Cb -0.18 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2opu s LEU 69 CO 0.19 0.02 0.40 -0.89 0.23 0.00 0.00 176.35 176.30 2opu s THR 70 N 1.22 0.01 0.00 5.49 2.01 -1.19 -2.14 115.64 121.03 2opu s THR 70 Ca 0.02 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2opu s THR 70 Cb -0.14 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2opu s THR 70 CO -0.05 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 2opu n GLY 71 N 2.65 -0.76 3.96 4.40 0.00 -1.04 -0.32 105.19 114.09 2opu n GLY 71 Ca -0.14 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2opu n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s ALA 72 N -1.00 3.89 0.22 4.61 0.00 -1.26 -3.07 121.76 125.15 2opu s ALA 72 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 2opu s ALA 72 Cb 0.00 -1.96 0.33 0.00 0.00 0.00 0.00 23.12 21.49 2opu s ALA 72 CO 0.00 -0.13 1.65 -1.00 0.00 0.00 0.00 175.76 176.28 2opu h PRO 73 N 0.70 0.09 0.03 0.00 0.13 -1.98 0.34 132.00 131.30 2opu h PRO 73 Ca -0.48 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 2opu h PRO 73 Cb 1.24 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2opu h PRO 73 CO 0.57 0.06 -1.09 1.49 -0.23 0.00 0.00 178.00 178.80 2opu h GLU 74 N 0.09 0.67 -0.07 0.86 4.81 -1.96 -2.76 114.58 116.22 2opu h GLU 74 Ca 0.35 -0.76 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2opu h GLU 74 Cb 0.58 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2opu h GLU 74 CO -0.59 1.33 -0.12 0.66 -0.73 0.00 0.00 179.01 179.56 2opu h SER 75 N 0.36 0.23 0.31 1.04 4.64 -1.57 -1.54 113.55 117.02 2opu h SER 75 Ca -0.14 -0.54 -0.06 0.00 -0.47 0.00 0.00 61.79 60.58 2opu h SER 75 Cb 1.74 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 2opu h SER 75 CO 0.21 0.73 -0.26 1.62 -0.87 0.00 0.00 176.83 178.25 2opu h VAL 76 N -0.26 1.11 0.06 0.95 3.04 -0.48 0.96 116.25 121.63 2opu h VAL 76 Ca 0.01 -0.93 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2opu h VAL 76 Cb 0.68 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2opu h VAL 76 CO 0.03 0.26 -0.03 -0.61 -1.01 0.00 0.00 177.57 176.21 2opu h GLN 77 N 0.00 -0.07 -0.77 4.17 4.15 -1.35 -2.24 115.11 119.00 2opu h GLN 77 Ca -0.00 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2opu h GLN 77 Cb 0.49 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2opu h GLN 77 CO 0.03 0.34 0.31 -0.22 -1.93 0.00 0.00 178.83 177.37 2opu h LYS 78 N -0.51 1.14 -0.85 1.69 1.63 -0.84 0.15 116.57 118.98 2opu h LYS 78 Ca -0.01 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.62 2opu h LYS 78 Cb 0.45 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2opu h LYS 78 CO 0.01 0.92 0.55 0.00 -3.45 0.00 0.00 179.45 177.48 2opu h ALA 79 N 1.16 1.11 0.00 5.00 0.00 -0.85 -2.36 119.26 123.32 2opu h ALA 79 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2opu h ALA 79 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2opu h ALA 79 CO -0.02 0.39 -0.30 0.87 0.00 0.00 0.00 179.25 180.19 2opu h LYS 80 N 1.07 0.00 0.01 0.00 1.57 -0.78 -2.41 116.57 116.03 2opu h LYS 80 Ca 0.34 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2opu h LYS 80 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2opu h LYS 80 CO -0.11 0.18 -0.04 1.98 -0.57 0.00 0.00 179.45 180.89 2opu h MET 81 N 0.00 -0.07 -0.27 3.15 4.05 -0.20 0.24 114.93 121.82 2opu h MET 81 Ca -0.01 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 2opu h MET 81 Cb 1.15 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 2opu h MET 81 CO 0.02 -0.05 -0.46 0.52 0.23 0.00 0.00 176.91 177.18 2opu h MET 82 N -0.08 0.70 0.51 0.39 2.86 -1.44 -2.31 114.93 115.56 2opu h MET 82 Ca 0.01 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 2opu h MET 82 Cb 0.09 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2opu h MET 82 CO -0.03 1.01 -0.24 -0.07 1.06 0.00 0.00 176.91 178.63 2opu h LEU 83 N 0.56 -0.58 -1.51 1.22 -0.00 -1.29 -2.50 115.31 111.21 2opu h LEU 83 Ca 0.03 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 58.05 2opu h LEU 83 Cb 1.01 0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 2opu h LEU 83 CO 0.10 -0.40 0.49 -0.78 -0.00 0.00 0.00 178.44 177.84 2opu h ASP 84 N -0.70 0.47 0.65 -0.43 3.58 -0.54 -0.25 116.42 119.19 2opu h ASP 84 Ca -0.07 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2opu h ASP 84 Cb 0.53 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.51 2opu h ASP 84 CO 0.11 0.26 -0.31 -0.78 -2.88 0.00 0.00 179.24 175.65 2opu h ASP 85 N 0.51 -0.73 -0.36 2.28 3.58 -1.00 0.13 116.42 120.84 2opu h ASP 85 Ca 0.36 0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.65 2opu h ASP 85 Cb 0.68 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 2opu h ASP 85 CO -0.12 -0.50 -0.41 0.40 -2.88 0.00 0.00 179.24 175.72 2opu h ILE 86 N -0.90 1.27 0.00 2.25 5.03 -1.09 -2.24 117.51 121.83 2opu h ILE 86 Ca -0.09 -1.59 -0.02 0.00 -0.12 0.00 0.00 64.86 63.04 2opu h ILE 86 Cb 0.68 1.45 -0.00 0.00 -3.03 0.00 0.00 36.82 35.91 2opu h ILE 86 CO 0.15 0.53 -0.10 0.58 -0.68 0.00 0.00 178.15 178.62 2opu h VAL 87 N 0.73 0.92 -0.00 1.67 2.07 -1.03 -1.02 116.25 119.58 2opu h VAL 87 Ca 0.05 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 2opu h VAL 87 Cb 1.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2opu h VAL 87 CO 0.10 0.10 -0.80 -1.28 0.02 0.00 0.00 177.57 175.71 2opu h SER 88 N 0.00 0.10 1.44 0.57 0.87 -0.28 0.27 113.55 116.53 2opu h SER 88 Ca -0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2opu h SER 88 Cb 0.20 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2opu h SER 88 CO 0.01 0.85 0.00 0.08 -0.53 0.00 0.00 176.83 177.25 2opu h ARG 89 N 0.05 0.00 -0.06 2.24 0.11 -0.62 -3.39 114.38 112.71 2opu h ARG 89 Ca -0.02 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.86 2opu h ARG 89 Cb 1.39 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.30 2opu h ARG 89 CO 0.11 0.00 -0.39 0.41 0.10 0.00 0.00 179.97 180.21 2opu n GLY 90 N 1.06 1.69 1.97 0.08 0.00 -0.95 -4.99 105.19 104.05 2opu n GLY 90 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2opu n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2opu n ARG 91 N -1.02 0.00 0.00 1.61 3.00 0.68 -4.62 116.66 116.31 2opu n ARG 91 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2opu n ARG 91 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.32 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2opu n GLY 92 N -1.49 1.08 0.00 5.14 0.00 0.42 -4.98 105.19 105.36 2opu n GLY 92 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93