#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 4.16 0.00 7.28 1.04 -1.26 -4.09 113.70 120.83 2opu s SER 6 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2opu s SER 6 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2opu s SER 6 CO 0.00 -1.99 0.00 -0.24 0.98 0.00 0.00 173.24 171.99 2opu n SER 7 N -3.00 0.00 -3.15 7.02 2.88 -0.41 -4.44 113.62 112.52 2opu n SER 7 Ca 0.14 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 2opu n SER 7 Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 2opu n SER 7 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2opu s GLN 8 N 0.00 0.53 -0.72 -1.46 2.00 -1.26 -1.85 119.66 116.90 2opu s GLN 8 Ca 0.00 0.78 -0.20 0.00 -2.00 0.00 0.00 55.36 53.94 2opu s GLN 8 Cb 0.00 0.41 0.11 0.00 0.80 0.00 0.00 33.01 34.33 2opu s GLN 8 CO 0.00 -0.72 0.91 -1.17 -0.50 0.00 0.00 175.29 173.81 2opu s LEU 9 N 2.86 5.05 -0.66 3.68 2.96 0.91 -4.95 118.68 128.54 2opu s LEU 9 Ca 0.16 -1.54 0.06 0.00 -0.22 0.00 0.00 54.13 52.59 2opu s LEU 9 Cb -0.13 -2.36 0.24 0.00 0.50 0.00 0.00 46.19 44.45 2opu s LEU 9 CO -0.22 -1.18 0.75 0.61 -1.32 0.00 0.00 176.35 174.99 2opu n GLY 10 N 5.28 4.77 0.20 7.98 0.00 -1.26 -1.99 105.19 120.17 2opu n GLY 10 Ca 0.03 -2.76 -0.16 0.00 0.00 0.00 0.00 46.02 43.14 2opu n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2opu h PRO 11 N 4.32 0.66 -6.50 1.61 0.11 -1.93 -3.46 132.00 126.82 2opu h PRO 11 Ca 0.20 -0.57 -0.62 0.00 0.11 0.00 0.00 66.00 65.11 2opu h PRO 11 Cb 0.67 0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.71 2opu h PRO 11 CO 0.84 1.18 -0.83 0.96 -0.21 0.00 0.00 178.00 179.95 2opu s ILE 12 N -3.62 2.12 -0.11 4.15 -4.36 -1.26 -5.07 121.20 113.04 2opu s ILE 12 Ca -0.09 -1.85 0.16 0.00 -0.26 0.00 0.00 60.65 58.62 2opu s ILE 12 Cb 0.09 -1.94 -0.13 0.00 1.25 0.00 0.00 42.46 41.73 2opu s ILE 12 CO 0.89 -0.08 0.87 -0.74 0.24 0.00 0.00 174.94 176.12 2opu h HIS 13 N 3.56 0.00 -1.92 1.37 -0.00 -1.96 -3.38 115.15 112.82 2opu h HIS 13 Ca -0.47 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.37 2opu h HIS 13 Cb 1.19 0.00 0.22 0.00 -0.00 0.00 0.00 27.41 28.83 2opu h HIS 13 CO 0.65 0.62 -1.72 -2.30 -0.00 0.00 0.00 177.93 175.18 2opu n PRO 14 N -2.94 0.00 -1.21 5.26 -0.02 -1.26 -4.80 135.00 130.02 2opu n PRO 14 Ca -0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.99 2opu n PRO 14 Cb 0.85 -0.96 -0.01 0.00 -0.02 0.00 0.00 33.50 33.37 2opu n PRO 14 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2opu n PRO 15 N 2.30 0.00 -0.02 0.52 -0.01 -1.26 -4.51 135.00 132.02 2opu n PRO 15 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.48 2opu n PRO 15 Cb 0.53 -0.91 0.00 0.00 -0.01 0.00 0.00 33.50 33.11 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2opu n PRO 16 N 1.11 0.34 -0.00 0.52 -0.04 -1.26 -3.68 135.00 131.98 2opu n PRO 16 Ca 0.12 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.74 2opu n PRO 16 Cb 0.31 -1.33 0.83 0.00 -0.04 0.00 0.00 33.50 33.28 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 0.96 1.18 0.00 0.54 -4.01 -0.86 -0.34 116.66 114.12 2opu n ARG 17 Ca 0.00 -0.25 0.00 0.00 -1.04 0.00 0.00 57.85 56.56 2opu n ARG 17 Cb 0.17 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.10 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2opu n THR 18 N -0.69 0.00 0.00 8.89 5.66 -1.24 -4.74 114.28 122.16 2opu n THR 18 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2opu n THR 18 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 -4.28 1.09 7.64 -1.24 -4.40 113.62 112.43 2opu n SER 19 Ca 0.00 0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.53 2opu n SER 19 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.45 2.51 -2.70 1.43 0.00 -1.26 -4.35 117.12 112.30 2opu n MET 20 Ca 0.00 -2.75 -0.43 0.00 0.00 0.00 0.00 57.70 54.52 2opu n MET 20 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 33.22 29.76 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 5.78 4.47 -0.30 3.17 2.01 -0.84 -4.77 115.64 125.17 2opu s THR 21 Ca 0.57 1.37 -0.17 0.00 0.31 0.00 0.00 61.69 63.77 2opu s THR 21 Cb 0.06 -4.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 2opu s THR 21 CO 0.06 -0.63 0.46 -0.70 -0.69 0.00 0.00 174.62 173.13 2opu s GLU 22 N 3.76 3.87 -0.48 4.92 2.12 -0.73 -0.06 118.70 132.10 2opu s GLU 22 Ca 0.43 0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.63 2opu s GLU 22 Cb -0.11 -3.71 0.07 0.00 0.26 0.00 0.00 34.13 30.64 2opu s GLU 22 CO 0.21 -0.44 0.43 -2.00 -0.54 0.00 0.00 175.26 172.92 2opu s GLU 23 N 2.25 3.00 -0.28 4.30 2.56 -0.77 -0.49 118.70 129.27 2opu s GLU 23 Ca 0.18 -1.31 -0.20 0.00 0.00 0.00 0.00 54.97 53.64 2opu s GLU 23 Cb -0.16 -4.14 -0.02 0.00 2.00 0.00 0.00 34.13 31.82 2opu s GLU 23 CO 0.11 -1.07 0.59 -0.47 -0.56 0.00 0.00 175.26 173.87 2opu s TYR 24 N 1.76 3.25 -0.75 5.30 6.14 0.72 -1.29 117.35 132.49 2opu s TYR 24 Ca 0.05 0.65 -0.26 0.00 0.64 0.00 0.00 57.07 58.16 2opu s TYR 24 Cb -0.24 -2.87 0.04 0.00 0.42 0.00 0.00 41.96 39.31 2opu s TYR 24 CO 0.07 -0.38 1.22 1.03 0.64 0.00 0.00 175.55 178.13 2opu s ARG 25 N 2.49 3.21 -0.17 4.97 0.52 -1.26 -1.27 118.95 127.43 2opu s ARG 25 Ca 0.24 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2opu s ARG 25 Cb -0.15 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.03 2opu s ARG 25 CO 0.10 -2.08 -0.15 0.54 0.02 0.00 0.00 175.30 173.73 2opu s VAL 26 N 5.28 2.61 0.64 3.52 0.11 -0.37 -4.98 120.40 127.21 2opu s VAL 26 Ca 0.33 -0.78 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 2opu s VAL 26 Cb -0.09 -2.11 -0.01 0.00 -1.53 0.00 0.00 36.38 32.64 2opu s VAL 26 CO 0.12 0.51 1.17 -2.16 -3.33 0.00 0.00 175.10 171.40 2opu s PRO 27 N 1.01 2.75 0.27 1.54 0.04 -1.26 -0.42 135.00 138.92 2opu s PRO 27 Ca -0.02 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 2opu s PRO 27 Cb -0.15 -1.92 0.54 0.00 0.04 0.00 0.00 34.50 33.01 2opu s PRO 27 CO -0.03 -1.34 1.78 0.22 0.04 0.00 0.00 177.00 177.66 2opu h ASP 28 N 0.36 0.61 -0.41 6.66 1.82 -1.91 0.27 116.42 123.83 2opu h ASP 28 Ca -0.49 0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.14 2opu h ASP 28 Cb 1.28 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 2opu h ASP 28 CO 0.54 0.27 -0.08 1.23 -1.61 0.00 0.00 179.24 179.59 2opu h GLY 29 N 0.70 0.92 2.00 -0.78 0.00 -2.00 -2.81 103.07 101.10 2opu h GLY 29 Ca 0.47 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2opu h GLY 29 CO -0.34 0.63 -0.33 -0.33 0.00 0.00 0.00 176.54 176.17 2opu h MET 30 N 0.78 0.00 -0.01 4.80 2.86 -0.89 -2.45 114.93 120.02 2opu h MET 30 Ca 0.13 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 2opu h MET 30 Cb 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2opu h MET 30 CO 0.04 0.33 -0.72 -0.24 1.06 0.00 0.00 176.91 177.37 2opu h VAL 31 N 0.00 1.50 0.00 -2.22 3.04 -1.02 0.28 116.25 117.83 2opu h VAL 31 Ca -0.00 -2.42 -0.01 0.00 -1.01 0.00 0.00 66.70 63.25 2opu h VAL 31 Cb 1.20 2.31 -0.00 0.00 -2.01 0.00 0.00 31.29 32.78 2opu h VAL 31 CO 0.04 0.70 -0.05 1.23 -1.01 0.00 0.00 177.57 178.48 2opu h GLY 32 N 2.05 0.00 1.07 3.17 0.00 -1.18 -2.20 103.07 105.98 2opu h GLY 32 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 2opu h GLY 32 CO 0.10 0.00 -1.21 1.41 0.00 0.00 0.00 176.54 176.84 2opu h LEU 33 N 0.00 0.00 -1.19 3.11 3.38 -1.09 -3.25 115.31 116.28 2opu h LEU 33 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2opu h LEU 33 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2opu h LEU 33 CO 0.01 0.39 -0.29 -0.29 0.09 0.00 0.00 178.44 178.35 2opu h ILE 34 N 0.00 0.76 0.00 1.22 6.09 0.16 0.83 117.51 126.56 2opu h ILE 34 Ca -0.10 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.18 2opu h ILE 34 Cb 1.39 1.76 0.00 0.00 0.47 0.00 0.00 36.82 40.44 2opu h ILE 34 CO 0.03 0.28 -0.39 2.30 -3.07 0.00 0.00 178.15 177.30 2opu n ILE 35 N -3.55 0.43 0.00 2.19 -5.35 -1.02 -4.02 119.36 108.04 2opu n ILE 35 Ca -0.01 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2opu n ILE 35 Cb 0.43 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 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 1.33 0.24 1.82 3.28 0.00 0.28 -2.09 105.19 110.05 2opu n GLY 36 Ca 0.04 0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 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 1.27 -1.07 1.61 1.85 -1.26 -4.62 116.66 114.44 2opu n ARG 37 Ca 0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 57.85 56.41 2opu n ARG 37 Cb 0.00 -1.49 -0.01 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 2.07 0.54 0.00 2.89 0.00 -1.19 -3.60 105.19 105.90 2opu n GLY 38 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.97 3.18 0.34 -0.02 0.00 -0.89 -4.98 105.19 100.85 2opu n GLY 39 Ca -0.02 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.55 2opu n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2opu h GLU 40 N 0.00 0.46 0.24 1.61 4.81 -1.65 -3.04 114.58 117.01 2opu h GLU 40 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2opu h GLU 40 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2opu h GLU 40 CO 0.00 0.30 -0.12 0.37 -0.73 0.00 0.00 179.01 178.83 2opu h GLN 41 N 0.47 -0.32 -0.74 1.92 4.15 -1.75 0.16 115.11 119.00 2opu h GLN 41 Ca 0.23 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 2opu h GLN 41 Cb 0.31 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2opu h GLN 41 CO -0.06 -0.21 0.25 0.97 -1.93 0.00 0.00 178.83 177.85 2opu h ILE 42 N -0.33 1.26 -0.95 2.39 6.09 -1.67 -1.16 117.51 123.14 2opu h ILE 42 Ca -0.03 -0.88 0.04 0.00 -1.37 0.00 0.00 64.86 62.62 2opu h ILE 42 Cb 0.26 0.43 -0.06 0.00 0.47 0.00 0.00 36.82 37.91 2opu h ILE 42 CO 0.05 0.35 0.61 0.78 -3.07 0.00 0.00 178.15 176.87 2opu h ASN 43 N 1.10 1.01 1.00 2.19 2.35 -1.36 0.14 115.58 122.01 2opu h ASN 43 Ca 0.24 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 2opu h ASN 43 Cb 0.28 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2opu h ASN 43 CO -0.01 0.68 -0.48 0.11 -1.65 0.00 0.00 177.43 176.08 2opu h LYS 44 N 1.17 -1.29 -0.70 0.81 1.79 -0.06 -2.67 116.57 115.61 2opu h LYS 44 Ca 0.39 0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.91 2opu h LYS 44 Cb 0.04 0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2opu h LYS 44 CO -0.13 -0.86 0.31 0.82 -1.08 0.00 0.00 179.45 178.50 2opu h ILE 45 N -1.36 1.24 -0.13 1.86 5.03 -0.80 0.44 117.51 123.80 2opu h ILE 45 Ca -0.14 -0.72 -0.12 0.00 -0.12 0.00 0.00 64.86 63.76 2opu h ILE 45 Cb 1.03 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.22 2opu h ILE 45 CO 0.23 0.29 -0.45 0.06 -0.68 0.00 0.00 178.15 177.60 2opu h GLN 46 N 0.99 0.31 0.10 2.37 -0.00 -0.81 -0.17 115.11 117.89 2opu h GLN 46 Ca 0.24 -0.16 -0.28 0.00 -0.00 0.00 0.00 58.65 58.45 2opu h GLN 46 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.67 2opu h GLN 46 CO -0.02 0.70 -1.19 0.37 -0.00 0.00 0.00 178.83 178.68 2opu h GLN 47 N 0.25 0.50 0.00 0.06 -0.00 -1.12 0.71 115.11 115.51 2opu h GLN 47 Ca 0.02 -0.67 -0.03 0.00 -0.00 0.00 0.00 58.65 57.97 2opu h GLN 47 Cb 0.89 0.22 -0.00 0.00 0.00 0.00 0.00 27.48 28.59 2opu h GLN 47 CO 0.07 1.29 -0.14 0.22 0.00 0.00 0.00 178.83 180.27 2opu h ASP 48 N 0.22 0.00 0.00 -0.69 3.58 0.20 -3.14 116.42 116.59 2opu h ASP 48 Ca -0.16 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 56.87 2opu h ASP 48 Cb 1.87 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.85 2opu h ASP 48 CO 0.22 0.14 -2.49 -1.54 -2.88 0.00 0.00 179.24 172.68 2opu n SER 49 N -3.81 1.97 0.00 2.28 3.41 -0.10 -5.02 113.62 112.35 2opu n SER 49 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2opu n SER 49 Cb 0.24 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2opu n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2opu n GLY 50 N 1.77 1.25 3.80 5.00 0.00 0.17 -4.43 105.19 112.75 2opu n GLY 50 Ca -0.50 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu n LYS 52 N 2.36 3.13 -2.71 0.00 5.02 0.14 -4.57 118.16 121.54 2opu n LYS 52 Ca -0.12 -3.20 -0.43 0.00 -2.02 0.00 0.00 58.31 52.54 2opu n LYS 52 Cb 0.52 -3.48 -0.03 0.00 -0.02 0.00 0.00 35.03 32.02 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2opu s VAL 53 N 4.27 4.32 -0.33 -0.18 1.01 -1.26 -3.43 120.40 124.80 2opu s VAL 53 Ca 0.54 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 2opu s VAL 53 Cb 0.05 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 2opu s VAL 53 CO 0.07 -0.96 0.21 -1.10 0.00 0.00 0.00 175.10 173.31 2opu s GLN 54 N 4.15 3.52 -0.73 2.72 -1.52 -0.29 -4.93 119.66 122.59 2opu s GLN 54 Ca 0.42 -0.62 -0.21 0.00 -1.95 0.00 0.00 55.36 53.00 2opu s GLN 54 Cb -0.09 -3.73 0.09 0.00 -0.22 0.00 0.00 33.01 29.07 2opu s GLN 54 CO 0.28 -0.40 0.97 0.42 -0.25 0.00 0.00 175.29 176.31 2opu s ILE 55 N 1.70 4.53 -0.55 1.08 -1.09 -1.26 -0.59 121.20 125.03 2opu s ILE 55 Ca 0.06 -0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 57.41 2opu s ILE 55 Cb -0.17 -4.68 0.05 0.00 -1.58 0.00 0.00 42.46 36.08 2opu s ILE 55 CO 0.10 -1.42 0.86 -0.44 -1.23 0.00 0.00 174.94 172.81 2opu s SER 56 N 3.65 6.30 0.43 3.58 0.01 -0.61 -4.89 113.70 122.18 2opu s SER 56 Ca 0.23 -0.52 0.24 0.00 1.31 0.00 0.00 55.95 57.21 2opu s SER 56 Cb -0.14 -2.40 0.68 0.00 0.21 0.00 0.00 66.02 64.36 2opu s SER 56 CO 0.03 -1.16 1.72 -0.65 0.41 0.00 0.00 173.24 173.60 2opu h PRO 57 N 9.25 0.00 0.19 12.44 0.11 -1.93 -2.85 132.00 149.21 2opu h PRO 57 Ca -0.27 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.54 2opu h PRO 57 Cb 1.08 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.21 2opu h PRO 57 CO 1.06 0.16 -1.36 0.38 -0.21 0.00 0.00 178.00 178.04 2opu h ASP 58 N 0.00 0.70 0.00 -2.05 2.03 -1.90 -3.47 116.42 111.73 2opu h ASP 58 Ca -0.00 -0.73 0.00 0.00 -0.73 0.00 0.00 57.03 55.57 2opu h ASP 58 Cb 0.90 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2opu h ASP 58 CO 0.02 1.56 0.00 -0.24 -1.03 0.00 0.00 179.24 179.56 2opu n SER 59 N -3.66 0.00 0.00 4.15 2.88 -1.18 -4.79 113.62 111.02 2opu n SER 59 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2opu n SER 59 Cb 1.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2opu n GLY 60 N 0.00 2.17 0.03 0.46 0.00 -1.26 -4.18 105.19 102.41 2opu n GLY 60 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2opu n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 61 N 0.00 -1.10 3.40 -0.02 0.00 -1.26 -4.90 105.19 101.30 2opu n GLY 61 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 2opu n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2opu s LEU 62 N -2.94 2.43 0.00 0.99 2.01 -1.26 -5.03 118.68 114.88 2opu s LEU 62 Ca 0.12 -0.86 0.29 0.00 0.01 0.00 0.00 54.13 53.68 2opu s LEU 62 Cb 0.17 -1.07 1.18 0.00 0.01 0.00 0.00 46.19 46.48 2opu s LEU 62 CO 0.72 0.08 1.83 -0.81 1.01 0.00 0.00 176.35 179.18 2opu n PRO 63 N 0.28 0.78 0.00 1.29 -0.04 -1.26 -4.73 135.00 131.32 2opu n PRO 63 Ca -0.13 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 2opu n PRO 63 Cb 0.56 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2opu n PRO 63 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2opu n GLU 64 N -0.85 3.10 -4.40 0.54 0.28 -1.26 -4.91 120.64 113.14 2opu n GLU 64 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.80 2opu n GLU 64 Cb 0.28 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.06 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 4.78 2.94 -0.27 3.44 6.06 0.44 -4.58 118.95 131.77 2opu s ARG 65 Ca 0.00 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 52.80 2opu s ARG 65 Cb 0.00 -2.76 0.05 0.00 0.06 0.00 0.00 34.95 32.29 2opu s ARG 65 CO 0.00 0.70 -0.06 -1.54 -2.50 0.00 0.00 175.30 171.89 2opu s SER 66 N -0.90 4.52 -0.28 -2.12 1.04 -1.08 -1.24 113.70 113.64 2opu s SER 66 Ca 0.13 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.26 2opu s SER 66 Cb -0.11 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 2opu s SER 66 CO 0.02 -0.19 0.18 -0.69 0.98 0.00 0.00 173.24 173.54 2opu s VAL 67 N 1.22 5.17 -0.12 5.02 1.01 -0.40 -1.57 120.40 130.74 2opu s VAL 67 Ca -0.05 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2opu s VAL 67 Cb -0.19 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2opu s VAL 67 CO -0.04 0.24 0.62 -0.44 0.00 0.00 0.00 175.10 175.48 2opu s SER 68 N 1.74 6.82 -0.38 3.32 0.01 0.24 -0.20 113.70 125.26 2opu s SER 68 Ca 0.07 0.99 -0.08 0.00 1.31 0.00 0.00 55.95 58.24 2opu s SER 68 Cb -0.16 -2.36 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2opu s SER 68 CO 0.10 -0.13 0.19 -0.76 0.41 0.00 0.00 173.24 173.05 2opu s LEU 69 N 1.05 4.73 -0.19 2.44 2.01 0.36 -1.13 118.68 127.95 2opu s LEU 69 Ca 0.32 -1.24 -0.06 0.00 0.01 0.00 0.00 54.13 53.15 2opu s LEU 69 Cb -0.16 -1.95 0.09 0.00 0.01 0.00 0.00 46.19 44.18 2opu s LEU 69 CO 0.14 -0.42 0.39 -0.89 1.01 0.00 0.00 176.35 176.58 2opu s THR 70 N 1.44 -0.61 0.00 5.49 2.01 -1.22 -1.77 115.64 120.98 2opu s THR 70 Ca 0.01 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2opu s THR 70 Cb -0.21 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2opu s THR 70 CO 0.03 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 2opu n GLY 71 N 5.38 0.85 3.34 4.40 0.00 0.54 0.28 105.19 119.99 2opu n GLY 71 Ca -0.08 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.06 1.90 0.22 4.61 0.00 -1.26 -2.04 121.76 124.13 2opu s ALA 72 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 51.96 50.08 2opu s ALA 72 Cb 0.00 0.26 0.24 0.00 0.00 0.00 0.00 23.12 23.62 2opu s ALA 72 CO 0.00 -0.14 1.60 -1.35 0.00 0.00 0.00 175.76 175.87 2opu h PRO 73 N 2.49 -0.05 -0.07 0.00 0.11 -1.96 0.79 132.00 133.32 2opu h PRO 73 Ca -0.38 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 2opu h PRO 73 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2opu h PRO 73 CO 0.65 -0.03 -0.22 1.49 -0.21 0.00 0.00 178.00 179.68 2opu h GLU 74 N -0.05 0.26 -0.38 1.05 4.57 -1.97 -3.18 114.58 114.88 2opu h GLU 74 Ca 0.31 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2opu h GLU 74 Cb 0.53 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2opu h GLU 74 CO -0.73 0.82 0.18 0.77 -1.18 0.00 0.00 179.01 178.88 2opu h SER 75 N -0.25 0.51 0.68 1.04 0.02 -1.50 -1.80 113.55 112.26 2opu h SER 75 Ca -0.01 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2opu h SER 75 Cb 0.85 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2opu h SER 75 CO 0.05 0.49 -0.44 1.62 -1.14 0.00 0.00 176.83 177.41 2opu h VAL 76 N 0.48 1.10 0.05 2.27 3.04 0.43 -0.71 116.25 122.91 2opu h VAL 76 Ca 0.13 -1.63 -0.28 0.00 -1.01 0.00 0.00 66.70 63.91 2opu h VAL 76 Cb 0.13 1.94 0.02 0.00 -2.01 0.00 0.00 31.29 31.37 2opu h VAL 76 CO -0.02 0.43 -1.11 1.56 -1.01 0.00 0.00 177.57 177.43 2opu h GLN 77 N 0.00 0.66 -0.25 4.17 7.50 -1.47 -1.55 115.11 124.18 2opu h GLN 77 Ca -0.00 -0.78 -0.02 0.00 0.50 0.00 0.00 58.65 58.34 2opu h GLN 77 Cb 0.90 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.66 2opu h GLN 77 CO 0.06 1.35 0.07 -0.22 -1.50 0.00 0.00 178.83 178.58 2opu h LYS 78 N 0.33 0.40 -0.51 1.46 1.63 -1.13 0.10 116.57 118.85 2opu h LYS 78 Ca -0.15 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.63 2opu h LYS 78 Cb 1.77 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 33.29 2opu h LYS 78 CO 0.22 0.48 0.18 0.00 -3.45 0.00 0.00 179.45 176.88 2opu h ALA 79 N 0.90 0.62 0.00 5.00 0.00 -1.17 -2.21 119.26 122.41 2opu h ALA 79 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2opu h ALA 79 Cb 0.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2opu h ALA 79 CO -0.00 -0.21 -0.17 0.87 0.00 0.00 0.00 179.25 179.75 2opu h LYS 80 N 0.37 0.00 -0.04 0.00 1.57 -0.98 -2.66 116.57 114.82 2opu h LYS 80 Ca 0.24 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 2opu h LYS 80 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2opu h LYS 80 CO -0.24 0.17 -0.52 0.00 -0.57 0.00 0.00 179.45 178.28 2opu h MET 81 N 0.00 0.10 -0.14 3.15 -0.00 -0.17 0.31 114.93 118.18 2opu h MET 81 Ca -0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 2opu h MET 81 Cb 0.80 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2opu h MET 81 CO 0.02 0.60 -0.10 0.52 -0.00 0.00 0.00 176.91 177.95 2opu h MET 82 N 0.08 0.32 -0.13 -0.10 2.86 -1.31 -2.61 114.93 114.04 2opu h MET 82 Ca -0.00 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2opu h MET 82 Cb 0.94 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2opu h MET 82 CO 0.07 0.68 0.07 -0.07 1.06 0.00 0.00 176.91 178.72 2opu h LEU 83 N -0.03 0.16 -0.97 1.22 -0.00 -1.20 -2.32 115.31 112.17 2opu h LEU 83 Ca 0.03 -0.08 0.11 0.00 -0.00 0.00 0.00 57.88 57.94 2opu h LEU 83 Cb 0.60 -0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 41.14 2opu h LEU 83 CO 0.03 0.19 0.60 -0.78 -0.00 0.00 0.00 178.44 178.48 2opu h ASP 84 N 0.12 0.88 0.67 -0.43 3.58 -0.47 0.80 116.42 121.57 2opu h ASP 84 Ca 0.05 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2opu h ASP 84 Cb 0.07 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2opu h ASP 84 CO -0.01 0.48 -0.38 -0.78 -2.88 0.00 0.00 179.24 175.67 2opu h ASP 85 N 0.97 -0.94 -0.20 2.28 1.82 -1.02 -0.67 116.42 118.65 2opu h ASP 85 Ca 0.47 0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.99 2opu h ASP 85 Cb 0.44 0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2opu h ASP 85 CO -0.26 -0.61 -0.54 0.40 -1.61 0.00 0.00 179.24 176.62 2opu h ILE 86 N -0.98 1.30 -0.17 2.25 5.03 -1.13 -1.62 117.51 122.19 2opu h ILE 86 Ca -0.09 -1.76 -0.05 0.00 -0.12 0.00 0.00 64.86 62.84 2opu h ILE 86 Cb 0.78 1.87 -0.01 0.00 -3.03 0.00 0.00 36.82 36.42 2opu h ILE 86 CO 0.11 0.56 -0.13 0.58 -0.68 0.00 0.00 178.15 178.58 2opu h VAL 87 N 0.44 1.19 -0.13 1.67 2.07 -0.89 -0.87 116.25 119.73 2opu h VAL 87 Ca -0.01 -0.83 -0.20 0.00 0.82 0.00 0.00 66.70 66.47 2opu h VAL 87 Cb 1.16 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2opu h VAL 87 CO 0.12 0.26 -0.74 -1.28 0.02 0.00 0.00 177.57 175.95 2opu h SER 88 N 0.26 0.75 0.70 0.57 0.87 -0.97 0.27 113.55 116.00 2opu h SER 88 Ca 0.05 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2opu h SER 88 Cb 0.40 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2opu h SER 88 CO 0.02 1.25 0.00 -2.11 -0.53 0.00 0.00 176.83 175.47 2opu n ARG 89 N -3.90 0.22 -0.02 2.24 1.85 -0.62 -1.41 116.66 115.02 2opu n ARG 89 Ca -0.06 0.03 -0.03 0.00 -1.00 0.00 0.00 57.85 56.79 2opu n ARG 89 Cb 0.72 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.62 2opu n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 90 N 1.16 -0.31 0.10 2.89 0.00 -0.39 -4.82 105.19 103.82 2opu n GLY 90 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2opu n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2opu h ARG 91 N -0.32 0.19 0.00 1.61 3.08 -0.61 -3.47 114.38 114.85 2opu h ARG 91 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2opu h ARG 91 Cb 0.32 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2opu h ARG 91 CO 0.00 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.41 2opu n GLY 92 N 1.53 1.48 0.00 0.04 0.00 -0.50 -5.00 105.19 102.74 2opu n GLY 92 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93