#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 0.52 0.85 7.28 0.01 -1.26 -4.93 113.70 116.16 2opu s SER 6 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2opu s SER 6 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2opu s SER 6 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 2opu n SER 7 N 5.07 -3.21 -4.74 2.44 7.64 -0.05 -4.77 113.62 116.00 2opu n SER 7 Ca -0.10 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 2opu n SER 7 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2opu n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opu n GLN 8 N -0.44 2.70 -4.80 1.43 6.02 -1.25 -1.47 117.38 119.57 2opu n GLN 8 Ca 0.00 0.96 -0.30 0.00 -0.01 0.00 0.00 57.00 57.66 2opu n GLN 8 Cb 0.00 -2.76 -0.14 0.00 1.02 0.00 0.00 30.24 28.36 2opu n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2opu s LEU 9 N -0.18 2.20 -0.40 1.08 1.43 0.91 -4.94 118.68 118.78 2opu s LEU 9 Ca 0.66 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2opu s LEU 9 Cb -0.50 -1.27 0.28 0.00 0.03 0.00 0.00 46.19 44.73 2opu s LEU 9 CO 0.46 0.24 0.60 0.61 0.23 0.00 0.00 176.35 178.49 2opu n GLY 10 N 1.59 3.25 0.07 -3.19 0.00 -1.26 -2.03 105.19 103.62 2opu n GLY 10 Ca -0.17 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 3.69 0.02 -6.03 1.61 0.11 -1.87 -3.47 132.00 126.06 2opu h PRO 11 Ca 0.09 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.58 2opu h PRO 11 Cb 0.89 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 2opu h PRO 11 CO 0.50 0.72 -0.67 0.96 -0.21 0.00 0.00 178.00 179.30 2opu s ILE 12 N -3.41 2.51 -0.07 4.15 -4.36 -1.26 -5.08 121.20 113.68 2opu s ILE 12 Ca -0.17 -2.13 0.14 0.00 -0.26 0.00 0.00 60.65 58.23 2opu s ILE 12 Cb -0.00 -2.66 -0.22 0.00 1.25 0.00 0.00 42.46 40.82 2opu s ILE 12 CO 0.69 -0.25 0.62 1.41 0.24 0.00 0.00 174.94 177.65 2opu n HIS 13 N -0.83 0.89 -0.97 1.37 8.25 -1.26 -4.54 115.22 118.13 2opu n HIS 13 Ca -0.05 0.32 -0.38 0.00 -0.26 0.00 0.00 57.72 57.36 2opu n HIS 13 Cb 0.62 -1.16 0.05 0.00 1.12 0.00 0.00 29.99 30.62 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2opu n PRO 14 N -3.00 -0.14 -1.08 -0.41 -0.02 -1.26 -4.89 135.00 124.20 2opu n PRO 14 Ca -0.18 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 60.90 2opu n PRO 14 Cb 1.04 -1.08 0.04 0.00 -0.02 0.00 0.00 33.50 33.49 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 2.03 0.01 0.00 0.52 -0.02 -1.26 -4.30 135.00 131.98 2opu n PRO 15 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2opu n PRO 15 Cb 0.71 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 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 1.50 0.27 0.01 0.52 -0.04 -1.26 -2.83 135.00 133.17 2opu n PRO 16 Ca 0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2opu n PRO 16 Cb 0.53 -1.32 0.24 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.77 0.06 0.00 0.54 1.85 -1.03 -0.12 116.66 118.73 2opu n ARG 17 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2opu n ARG 17 Cb 0.12 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 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 -1.63 0.00 0.00 8.89 5.66 -1.13 -4.54 114.28 121.54 2opu n THR 18 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2opu n THR 18 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2opu n THR 18 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2opu n SER 19 N 0.00 0.00 -4.57 1.09 2.88 -1.18 -4.61 113.62 107.23 2opu n SER 19 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2opu n SER 19 Cb 0.37 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 2opu n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2opu s MET 20 N 0.26 2.63 -0.35 -1.46 0.23 -1.23 -4.19 119.30 115.19 2opu s MET 20 Ca 0.00 -0.75 -0.18 0.00 -1.03 0.00 0.00 55.69 53.73 2opu s MET 20 Cb 0.00 -5.17 -0.00 0.00 -1.53 0.00 0.00 34.83 28.13 2opu s MET 20 CO 0.00 -3.53 0.49 0.99 -2.03 0.00 0.00 175.02 170.94 2opu s THR 21 N 10.01 5.04 -0.29 3.16 2.01 -0.86 -4.75 115.64 129.95 2opu s THR 21 Ca 0.68 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.80 2opu s THR 21 Cb -0.04 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2opu s THR 21 CO 0.05 -0.21 0.40 -0.70 -0.69 0.00 0.00 174.62 173.47 2opu s GLU 22 N 2.33 3.88 -0.56 4.92 2.56 -0.68 -0.07 118.70 131.08 2opu s GLU 22 Ca 0.18 -0.06 -0.18 0.00 0.00 0.00 0.00 54.97 54.91 2opu s GLU 22 Cb -0.16 -3.71 0.11 0.00 2.00 0.00 0.00 34.13 32.37 2opu s GLU 22 CO 0.13 -0.38 0.63 -2.00 -0.56 0.00 0.00 175.26 173.07 2opu s GLU 23 N 2.12 3.03 -0.32 4.30 2.56 -0.54 -0.08 118.70 129.77 2opu s GLU 23 Ca 0.15 -1.40 -0.17 0.00 0.00 0.00 0.00 54.97 53.55 2opu s GLU 23 Cb -0.16 -4.26 -0.02 0.00 2.00 0.00 0.00 34.13 31.70 2opu s GLU 23 CO 0.11 -1.43 0.48 -0.47 -0.56 0.00 0.00 175.26 173.38 2opu s TYR 24 N 2.32 3.21 -0.38 5.30 6.14 0.69 -0.87 117.35 133.76 2opu s TYR 24 Ca 0.09 0.30 -0.26 0.00 0.64 0.00 0.00 57.07 57.84 2opu s TYR 24 Cb -0.25 -2.80 0.02 0.00 0.42 0.00 0.00 41.96 39.34 2opu s TYR 24 CO 0.06 -0.42 0.92 1.03 0.64 0.00 0.00 175.55 177.77 2opu s ARG 25 N 2.29 3.79 -0.10 4.97 0.52 -1.26 -1.12 118.95 128.03 2opu s ARG 25 Ca 0.18 0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.92 2opu s ARG 25 Cb -0.16 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 2opu s ARG 25 CO 0.12 -0.99 -0.20 0.54 0.02 0.00 0.00 175.30 174.79 2opu s VAL 26 N 3.50 2.44 0.36 3.52 0.11 -0.24 -4.99 120.40 125.10 2opu s VAL 26 Ca 0.38 -0.89 -0.28 0.00 -2.93 0.00 0.00 61.98 58.25 2opu s VAL 26 Cb -0.12 -1.96 -0.11 0.00 -1.53 0.00 0.00 36.38 32.66 2opu s VAL 26 CO 0.20 0.55 1.46 -2.65 -3.33 0.00 0.00 175.10 171.33 2opu n PRO 27 N 3.34 2.54 0.09 1.54 -0.02 -1.26 -1.50 135.00 139.74 2opu n PRO 27 Ca -0.18 0.89 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 2opu n PRO 27 Cb 0.53 -2.60 0.54 0.00 -0.02 0.00 0.00 33.50 31.95 2opu n PRO 27 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2opu h ASP 28 N 3.11 0.24 -0.44 2.55 2.03 -1.93 0.42 116.42 122.41 2opu h ASP 28 Ca -0.49 -0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.67 2opu h ASP 28 Cb 1.25 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2opu h ASP 28 CO 0.66 0.17 -0.23 1.23 -1.03 0.00 0.00 179.24 180.03 2opu h GLY 29 N 0.28 1.04 1.72 7.15 0.00 -2.01 -2.49 103.07 108.77 2opu h GLY 29 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2opu h GLY 29 CO -0.02 0.85 0.00 1.03 0.00 0.00 0.00 176.54 178.40 2opu n MET 30 N -4.10 0.27 -0.07 4.80 2.81 0.57 -1.81 117.12 119.59 2opu n MET 30 Ca -0.00 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.76 2opu n MET 30 Cb 0.47 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 2opu n MET 30 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2opu h VAL 31 N 0.00 1.32 -0.14 2.03 2.07 0.13 0.23 116.25 121.88 2opu h VAL 31 Ca 0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2opu h VAL 31 Cb 0.35 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2opu h VAL 31 CO 0.00 0.48 0.09 1.23 0.02 0.00 0.00 177.57 179.39 2opu h GLY 32 N 0.32 0.20 1.53 2.17 0.00 -1.11 -2.35 103.07 103.83 2opu h GLY 32 Ca 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 2opu h GLY 32 CO 0.08 0.07 -1.33 1.41 0.00 0.00 0.00 176.54 176.77 2opu h LEU 33 N 0.19 0.15 -1.00 3.11 3.38 -1.30 -2.94 115.31 116.90 2opu h LEU 33 Ca 0.05 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2opu h LEU 33 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2opu h LEU 33 CO -0.01 1.16 -0.45 -0.29 0.09 0.00 0.00 178.44 178.94 2opu h ILE 34 N 0.03 1.16 0.00 1.22 6.09 -0.18 -0.80 117.51 125.03 2opu h ILE 34 Ca -0.15 -1.64 0.00 0.00 -1.37 0.00 0.00 64.86 61.71 2opu h ILE 34 Cb 1.91 1.92 0.00 0.00 0.47 0.00 0.00 36.82 41.13 2opu h ILE 34 CO 0.13 0.44 -0.36 2.30 -3.07 0.00 0.00 178.15 177.60 2opu n ILE 35 N -3.77 0.30 0.00 2.19 -5.35 -0.92 -4.17 119.36 107.65 2opu n ILE 35 Ca -0.01 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2opu n ILE 35 Cb 0.51 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 1.38 0.22 1.71 3.28 0.00 -0.31 -2.10 105.19 109.37 2opu n GLY 36 Ca 0.05 0.64 -0.03 0.00 0.00 0.00 0.00 46.02 46.68 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 1.10 -1.40 1.61 1.85 -1.26 -4.66 116.66 113.90 2opu n ARG 37 Ca 0.00 -0.24 -0.14 0.00 -1.00 0.00 0.00 57.85 56.47 2opu n ARG 37 Cb 0.00 -1.31 -0.06 0.00 -1.05 0.00 0.00 32.46 30.04 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 1.84 1.45 0.00 2.89 0.00 -1.18 -3.84 105.19 106.35 2opu n GLY 38 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.21 2.74 0.33 -0.02 0.00 -0.89 -5.00 105.19 101.14 2opu n GLY 39 Ca -0.14 -0.36 0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.70 1.61 4.81 -1.67 -2.73 114.58 115.91 2opu h GLU 40 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2opu h GLU 40 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2opu h GLU 40 CO 0.00 0.00 0.23 0.37 -0.73 0.00 0.00 179.01 178.89 2opu h GLN 41 N 0.00 1.06 -0.44 1.92 4.15 -1.74 -1.43 115.11 118.63 2opu h GLN 41 Ca -0.00 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.13 2opu h GLN 41 Cb 0.02 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2opu h GLN 41 CO 0.00 0.89 -0.08 0.97 -1.93 0.00 0.00 178.83 178.68 2opu h ILE 42 N 1.03 1.25 -0.70 2.39 6.09 -1.64 0.14 117.51 126.07 2opu h ILE 42 Ca 0.23 -1.11 0.02 0.00 -1.37 0.00 0.00 64.86 62.63 2opu h ILE 42 Cb 0.26 1.00 -0.04 0.00 0.47 0.00 0.00 36.82 38.52 2opu h ILE 42 CO -0.01 0.38 0.45 0.78 -3.07 0.00 0.00 178.15 176.68 2opu h ASN 43 N 0.70 0.76 0.69 2.19 4.21 -1.53 -0.27 115.58 122.32 2opu h ASN 43 Ca 0.12 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 2opu h ASN 43 Cb 0.54 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2opu h ASN 43 CO 0.03 0.54 -0.35 0.11 -1.29 0.00 0.00 177.43 176.47 2opu h LYS 44 N 0.90 -0.92 0.23 0.81 1.57 -0.50 -2.44 116.57 116.22 2opu h LYS 44 Ca 0.27 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2opu h LYS 44 Cb -0.05 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2opu h LYS 44 CO -0.08 -0.61 -0.16 0.82 -0.57 0.00 0.00 179.45 178.85 2opu h ILE 45 N -0.95 0.66 0.00 1.86 5.03 -0.38 0.20 117.51 123.92 2opu h ILE 45 Ca -0.09 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.50 2opu h ILE 45 Cb 0.74 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 35.17 2opu h ILE 45 CO 0.14 0.00 -0.72 0.06 -0.68 0.00 0.00 178.15 176.95 2opu h GLN 46 N -0.39 0.00 0.12 2.37 -0.00 -1.16 -2.41 115.11 113.64 2opu h GLN 46 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.33 2opu h GLN 46 Cb 0.33 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.84 2opu h GLN 46 CO 0.01 0.72 -1.25 0.37 -0.00 0.00 0.00 178.83 178.67 2opu h GLN 47 N 0.00 0.63 -0.15 0.06 5.75 -1.30 -0.36 115.11 119.73 2opu h GLN 47 Ca -0.01 -0.84 -0.07 0.00 -0.15 0.00 0.00 58.65 57.58 2opu h GLN 47 Cb 1.29 0.28 -0.01 0.00 1.07 0.00 0.00 27.48 30.10 2opu h GLN 47 CO 0.09 1.38 -0.23 0.22 -2.65 0.00 0.00 178.83 177.65 2opu h ASP 48 N 0.28 0.26 0.24 -0.69 3.58 -0.54 -3.15 116.42 116.40 2opu h ASP 48 Ca -0.19 -0.07 -0.34 0.00 0.42 0.00 0.00 57.03 56.85 2opu h ASP 48 Cb 1.92 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.86 2opu h ASP 48 CO 0.24 0.50 -1.94 -1.54 -2.88 0.00 0.00 179.24 173.62 2opu n SER 49 N -4.18 1.58 0.00 2.28 3.41 -0.91 -4.98 113.62 110.82 2opu n SER 49 Ca -0.01 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2opu n SER 49 Cb 0.35 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.85 0.83 3.77 5.00 0.00 -0.18 -4.36 105.19 112.09 2opu n GLY 50 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 0.85 3.18 -2.84 0.00 4.76 0.29 -4.67 118.16 119.73 2opu n LYS 52 Ca 0.01 -3.09 -0.43 0.00 -2.87 0.00 0.00 58.31 51.92 2opu n LYS 52 Cb 0.49 -3.20 -0.04 0.00 -1.84 0.00 0.00 35.03 30.44 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2opu s VAL 53 N 2.41 4.43 -0.25 -0.18 1.01 -1.26 -3.45 120.40 123.10 2opu s VAL 53 Ca 0.46 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 2opu s VAL 53 Cb 0.10 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2opu s VAL 53 CO -0.03 -1.00 0.22 -1.58 0.00 0.00 0.00 175.10 172.72 2opu s GLN 54 N 3.85 4.03 -0.31 2.72 2.00 -0.42 -4.95 119.66 126.58 2opu s GLN 54 Ca 0.33 -0.20 -0.12 0.00 -2.00 0.00 0.00 55.36 53.37 2opu s GLN 54 Cb -0.12 -3.60 -0.03 0.00 0.80 0.00 0.00 33.01 30.07 2opu s GLN 54 CO 0.22 -0.08 0.21 0.42 -0.50 0.00 0.00 175.29 175.56 2opu s ILE 55 N 1.46 5.21 -0.55 -2.34 -1.09 -1.26 -1.18 121.20 121.45 2opu s ILE 55 Ca 0.10 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 2opu s ILE 55 Cb -0.15 -3.60 0.14 0.00 -1.58 0.00 0.00 42.46 37.27 2opu s ILE 55 CO 0.08 0.10 0.35 -0.44 -1.23 0.00 0.00 174.94 173.80 2opu s SER 56 N 1.72 5.24 0.13 3.58 0.01 -0.38 -5.00 113.70 119.00 2opu s SER 56 Ca 0.06 -2.55 -0.28 0.00 1.31 0.00 0.00 55.95 54.49 2opu s SER 56 Cb -0.17 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 2opu s SER 56 CO 0.10 -0.43 1.60 -0.65 0.41 0.00 0.00 173.24 174.27 2opu h PRO 57 N 7.40 -0.46 -0.01 12.44 0.11 -1.94 -1.62 132.00 147.91 2opu h PRO 57 Ca -0.06 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2opu h PRO 57 Cb 0.99 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2opu h PRO 57 CO 0.71 -0.31 -0.08 -0.40 -0.21 0.00 0.00 178.00 177.71 2opu n ASP 58 N -5.43 1.08 0.00 -2.05 5.75 -1.26 -4.25 116.55 110.39 2opu n ASP 58 Ca -0.05 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 2opu n ASP 58 Cb 0.34 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2opu n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2opu n SER 59 N -0.32 0.00 0.00 -1.12 3.41 -0.67 -4.74 113.62 110.18 2opu n SER 59 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2opu n SER 59 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2opu n GLY 60 N 0.00 2.44 0.36 5.00 0.00 -1.26 -4.87 105.19 106.86 2opu n GLY 60 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.20 3.28 -0.02 0.00 -1.26 -4.87 105.19 102.12 2opu n GLY 61 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.76 2.34 0.15 0.99 1.43 -1.26 -5.01 118.68 115.57 2opu s LEU 62 Ca 0.35 -0.73 0.26 0.00 -1.03 0.00 0.00 54.13 52.98 2opu s LEU 62 Cb 0.18 -0.80 0.69 0.00 0.03 0.00 0.00 46.19 46.28 2opu s LEU 62 CO 0.29 0.00 1.63 -0.81 0.23 0.00 0.00 176.35 177.69 2opu n PRO 63 N 0.85 0.23 -0.60 1.29 -0.04 -1.26 -4.77 135.00 130.71 2opu n PRO 63 Ca -0.18 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2opu n PRO 63 Cb 0.55 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.10 2.31 -3.93 0.54 0.28 -1.26 -4.90 120.64 111.58 2opu n GLU 64 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.69 2opu n GLU 64 Cb 0.42 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.22 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 0.35 3.53 -0.05 3.44 3.00 -0.56 -4.33 118.95 124.32 2opu s ARG 65 Ca 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 55.73 54.52 2opu s ARG 65 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 2opu s ARG 65 CO 0.00 0.67 0.05 -1.54 0.00 0.00 0.00 175.30 174.48 2opu s SER 66 N -0.72 5.53 -0.19 -2.12 1.04 -0.84 -1.08 113.70 115.31 2opu s SER 66 Ca 0.13 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.72 2opu s SER 66 Cb -0.12 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.47 2opu s SER 66 CO 0.03 0.33 -0.02 -0.69 0.98 0.00 0.00 173.24 173.87 2opu s VAL 67 N -1.04 0.99 -0.20 5.02 1.01 -0.28 -1.25 120.40 124.65 2opu s VAL 67 Ca 0.18 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2opu s VAL 67 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2opu s VAL 67 CO 0.08 -0.06 0.98 -0.44 0.00 0.00 0.00 175.10 175.66 2opu s SER 68 N 1.66 7.08 -0.35 3.32 0.01 -0.32 -0.22 113.70 124.87 2opu s SER 68 Ca -0.02 1.34 -0.06 0.00 1.31 0.00 0.00 55.95 58.52 2opu s SER 68 Cb -0.17 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.59 2opu s SER 68 CO -0.07 -0.58 0.13 -0.76 0.41 0.00 0.00 173.24 172.37 2opu s LEU 69 N 2.81 4.49 -0.02 2.44 1.43 0.88 -1.30 118.68 129.41 2opu s LEU 69 Ca 0.43 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 2opu s LEU 69 Cb -0.16 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2opu s LEU 69 CO 0.09 -0.37 0.36 -0.89 0.23 0.00 0.00 176.35 175.77 2opu s THR 70 N 1.38 0.05 0.00 5.49 2.01 -1.22 -1.69 115.64 121.65 2opu s THR 70 Ca -0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.59 2opu s THR 70 Cb -0.20 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2opu s THR 70 CO 0.02 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2opu n GLY 71 N 1.26 -1.65 3.30 4.40 0.00 0.83 0.11 105.19 113.44 2opu n GLY 71 Ca -0.21 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.09 0.18 4.61 0.00 -1.26 -2.48 121.76 121.72 2opu s ALA 72 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.95 2opu s ALA 72 Cb 0.00 0.76 0.08 0.00 0.00 0.00 0.00 23.12 23.96 2opu s ALA 72 CO 0.00 -0.61 1.58 -1.35 0.00 0.00 0.00 175.76 175.38 2opu h PRO 73 N 2.59 -0.19 0.06 0.00 0.11 -1.98 0.73 132.00 133.33 2opu h PRO 73 Ca -0.32 0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.54 2opu h PRO 73 Cb 1.22 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2opu h PRO 73 CO 0.50 -0.13 -1.29 1.05 -0.21 0.00 0.00 178.00 177.93 2opu h GLU 74 N -0.20 0.14 -0.10 1.05 4.11 -1.98 -3.12 114.58 114.48 2opu h GLU 74 Ca 0.21 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2opu h GLU 74 Cb 0.56 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2opu h GLU 74 CO -0.68 1.03 -0.03 0.77 0.07 0.00 0.00 179.01 180.17 2opu h SER 75 N 0.04 0.20 0.93 3.06 0.02 -1.54 -0.88 113.55 115.38 2opu h SER 75 Ca -0.14 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 2opu h SER 75 Cb 1.92 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.39 2opu h SER 75 CO 0.15 0.53 -0.26 1.62 -1.14 0.00 0.00 176.83 177.74 2opu h VAL 76 N -0.13 0.62 -0.17 2.27 3.04 0.30 -1.17 116.25 121.01 2opu h VAL 76 Ca 0.03 -1.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.37 2opu h VAL 76 Cb 0.45 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2opu h VAL 76 CO 0.01 0.25 -0.41 -0.61 -1.01 0.00 0.00 177.57 175.80 2opu h GLN 77 N 0.00 0.58 -0.28 4.17 4.15 -1.44 -0.75 115.11 121.54 2opu h GLN 77 Ca -0.00 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 2opu h GLN 77 Cb 0.79 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2opu h GLN 77 CO 0.03 1.01 0.01 -0.22 -1.93 0.00 0.00 178.83 177.73 2opu h LYS 78 N 0.23 0.48 -0.30 1.69 1.63 -0.83 0.18 116.57 119.65 2opu h LYS 78 Ca -0.00 -0.15 0.05 0.00 -0.85 0.00 0.00 60.65 59.70 2opu h LYS 78 Cb 1.02 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 2opu h LYS 78 CO 0.09 0.63 -0.02 0.00 -3.45 0.00 0.00 179.45 176.71 2opu h ALA 79 N 0.83 0.26 0.00 5.00 0.00 -1.25 -2.30 119.26 121.79 2opu h ALA 79 Ca 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2opu h ALA 79 Cb 0.41 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2opu h ALA 79 CO 0.01 -0.42 -0.16 0.87 0.00 0.00 0.00 179.25 179.55 2opu h LYS 80 N 0.07 0.00 -0.34 0.00 1.57 -0.91 -2.11 116.57 114.85 2opu h LYS 80 Ca 0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2opu h LYS 80 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2opu h LYS 80 CO -0.26 0.16 -0.36 0.00 -0.57 0.00 0.00 179.45 178.42 2opu h MET 81 N 0.00 0.78 -0.05 3.15 -0.00 -0.07 0.33 114.93 119.07 2opu h MET 81 Ca -0.00 -0.39 -0.25 0.00 -0.00 0.00 0.00 59.70 59.06 2opu h MET 81 Cb 0.71 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.33 2opu h MET 81 CO 0.02 1.01 -0.95 0.52 -0.00 0.00 0.00 176.91 177.52 2opu h MET 82 N 0.64 0.69 0.89 -0.10 2.86 -1.37 -2.45 114.93 116.09 2opu h MET 82 Ca 0.06 -0.68 -0.04 0.00 -2.06 0.00 0.00 59.70 56.98 2opu h MET 82 Cb 0.91 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.76 2opu h MET 82 CO 0.08 1.27 -0.43 -0.07 1.06 0.00 0.00 176.91 178.83 2opu h LEU 83 N 0.42 -1.01 -1.59 1.22 -0.00 -1.27 -1.81 115.31 111.27 2opu h LEU 83 Ca -0.10 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.90 2opu h LEU 83 Cb 1.59 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 42.47 2opu h LEU 83 CO 0.19 -0.68 0.41 -0.78 -0.00 0.00 0.00 178.44 177.58 2opu h ASP 84 N -1.28 0.42 0.46 -0.43 3.58 -0.45 0.35 116.42 119.07 2opu h ASP 84 Ca -0.12 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2opu h ASP 84 Cb 0.92 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2opu h ASP 84 CO 0.20 0.26 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.81 2opu h ASP 85 N 0.47 -0.53 -0.57 2.28 3.58 -1.32 -1.98 116.42 118.35 2opu h ASP 85 Ca 0.28 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.64 2opu h ASP 85 Cb 0.49 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2opu h ASP 85 CO -0.08 -0.17 -0.05 0.40 -2.88 0.00 0.00 179.24 176.45 2opu h ILE 86 N -1.03 1.27 0.00 2.25 5.03 -1.17 -2.18 117.51 121.68 2opu h ILE 86 Ca -0.06 -1.21 -0.02 0.00 -0.12 0.00 0.00 64.86 63.45 2opu h ILE 86 Cb 0.48 0.90 -0.00 0.00 -3.03 0.00 0.00 36.82 35.16 2opu h ILE 86 CO 0.10 0.43 -0.11 0.58 -0.68 0.00 0.00 178.15 178.48 2opu h VAL 87 N 0.93 0.27 -0.01 1.67 2.07 -1.05 -0.16 116.25 119.97 2opu h VAL 87 Ca 0.15 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 2opu h VAL 87 Cb 0.62 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2opu h VAL 87 CO 0.04 0.11 -0.63 -1.28 0.02 0.00 0.00 177.57 175.83 2opu h SER 88 N 0.00 0.02 0.40 0.57 0.87 -0.76 0.24 113.55 114.90 2opu h SER 88 Ca -0.00 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2opu h SER 88 Cb 0.63 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2opu h SER 88 CO 0.01 0.65 -0.40 0.03 -0.53 0.00 0.00 176.83 176.59 2opu h ARG 89 N 0.01 0.00 0.04 2.24 2.47 -0.47 -3.31 114.38 115.37 2opu h ARG 89 Ca -0.01 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.33 2opu h ARG 89 Cb 1.12 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.39 2opu h ARG 89 CO 0.08 0.40 -2.26 0.41 0.56 0.00 0.00 179.97 179.16 2opu n GLY 90 N -0.38 -0.46 0.00 0.04 0.00 -0.90 -5.07 105.19 98.41 2opu n GLY 90 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2opu n GLY 90 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2opu n ARG 91 N -3.51 0.00 -0.93 1.61 1.85 0.84 -4.90 116.66 111.62 2opu n ARG 91 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 2opu n ARG 91 Cb 0.98 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.39 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 92 N 0.00 0.48 0.00 2.89 0.00 -1.26 -3.98 105.19 103.31 2opu n GLY 92 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93