#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 -0.28 0.89 7.28 0.15 -1.26 -4.81 113.70 115.67 2opu s SER 6 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2opu s SER 6 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2opu s SER 6 CO 0.00 -0.68 0.00 -1.20 1.20 0.00 0.00 173.24 172.56 2opu n SER 7 N 0.44 -3.04 0.00 5.45 7.64 -0.52 -4.83 113.62 118.76 2opu n SER 7 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2opu n SER 7 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.25 0.00 -3.35 1.43 6.02 -0.47 -2.69 117.38 118.07 2opu n GLN 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2opu n GLN 8 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2opu n GLN 8 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2opu n LEU 9 N 0.00 0.00 -3.60 1.08 -0.00 -0.95 -4.97 117.00 108.56 2opu n LEU 9 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2opu n LEU 9 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 2opu n LEU 9 CO 0.00 0.00 -0.24 -0.83 -0.00 0.00 0.00 177.39 176.32 2opu s GLY 10 N 0.00 0.08 0.44 1.47 0.00 -1.15 -0.63 107.32 107.52 2opu s GLY 10 Ca 0.00 0.32 0.23 0.00 0.00 0.00 0.00 44.72 45.27 2opu s GLY 10 CO 0.00 1.86 1.84 -0.56 0.00 0.00 0.00 173.10 176.24 2opu h PRO 11 N 8.35 0.00 -5.83 2.90 0.13 -1.85 -3.45 132.00 132.25 2opu h PRO 11 Ca -0.15 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.40 2opu h PRO 11 Cb 1.13 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 2opu h PRO 11 CO 0.21 0.25 -0.69 0.96 -0.23 0.00 0.00 178.00 178.51 2opu s ILE 12 N -3.74 2.09 -0.30 -3.56 -4.36 -1.26 -5.08 121.20 104.99 2opu s ILE 12 Ca -0.00 -2.20 0.23 0.00 -0.26 0.00 0.00 60.65 58.42 2opu s ILE 12 Cb 0.11 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.26 2opu s ILE 12 CO 0.64 -0.25 1.07 1.41 0.24 0.00 0.00 174.94 178.06 2opu n HIS 13 N -0.72 0.88 -0.97 1.37 8.25 -1.26 -4.36 115.22 118.41 2opu n HIS 13 Ca -0.05 0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 2opu n HIS 13 Cb 0.63 -0.90 0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.57 0.00 -0.79 -0.41 -0.02 -1.26 -4.93 135.00 125.02 2opu n PRO 14 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.15 2opu n PRO 14 Cb 0.53 -0.97 0.12 0.00 -0.02 0.00 0.00 33.50 33.16 2opu n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2opu n PRO 15 N 2.44 -0.81 -0.04 0.52 -0.04 -1.26 -4.39 135.00 131.41 2opu n PRO 15 Ca -0.02 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2opu n PRO 15 Cb 0.69 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2opu n PRO 16 N -0.86 0.19 -0.00 0.54 -0.04 -1.26 -3.29 135.00 130.27 2opu n PRO 16 Ca 0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 2opu n PRO 16 Cb 0.61 -1.41 0.67 0.00 -0.04 0.00 0.00 33.50 33.33 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 1.38 1.42 0.00 0.54 1.85 -1.05 -1.40 116.66 119.40 2opu n ARG 17 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 2opu n ARG 17 Cb 0.09 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 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 -0.26 0.00 1.96 8.89 5.66 -1.21 -4.65 114.28 124.68 2opu n THR 18 Ca 0.21 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.34 2opu n THR 18 Cb 0.26 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.82 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 -2.73 1.09 2.88 -1.21 -4.05 113.62 109.60 2opu n SER 19 Ca 0.00 -1.14 -0.06 0.00 -1.33 0.00 0.00 58.87 56.34 2opu n SER 19 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2opu n SER 19 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2opu n MET 20 N -0.92 0.56 -2.63 -1.46 0.00 -1.23 -2.93 117.12 108.52 2opu n MET 20 Ca 0.20 -1.53 -0.43 0.00 0.00 0.00 0.00 57.70 55.94 2opu n MET 20 Cb 0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 33.22 32.16 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 0.65 4.64 -0.28 3.17 2.01 0.19 -4.68 115.64 121.34 2opu s THR 21 Ca 0.30 1.95 -0.10 0.00 0.31 0.00 0.00 61.69 64.15 2opu s THR 21 Cb 0.17 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2opu s THR 21 CO -0.17 -0.10 0.15 -0.70 -0.69 0.00 0.00 174.62 173.11 2opu s GLU 22 N 2.76 3.77 -0.57 4.92 2.12 -0.47 -1.37 118.70 129.86 2opu s GLU 22 Ca 0.48 -0.43 -0.21 0.00 0.36 0.00 0.00 54.97 55.17 2opu s GLU 22 Cb -0.18 -3.56 0.06 0.00 0.26 0.00 0.00 34.13 30.72 2opu s GLU 22 CO 0.12 -0.22 0.79 -2.00 -0.54 0.00 0.00 175.26 173.41 2opu s GLU 23 N 1.70 3.16 -0.16 4.30 2.12 -1.09 -0.88 118.70 127.84 2opu s GLU 23 Ca 0.07 -0.81 -0.18 0.00 0.36 0.00 0.00 54.97 54.41 2opu s GLU 23 Cb -0.16 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 2opu s GLU 23 CO 0.08 -1.47 0.47 -0.47 -0.54 0.00 0.00 175.26 173.33 2opu s TYR 24 N 3.27 3.44 -0.44 5.30 6.14 -0.50 -1.44 117.35 133.12 2opu s TYR 24 Ca 0.20 0.79 -0.28 0.00 0.64 0.00 0.00 57.07 58.42 2opu s TYR 24 Cb -0.18 -2.58 0.03 0.00 0.42 0.00 0.00 41.96 39.65 2opu s TYR 24 CO 0.12 0.05 1.06 1.03 0.64 0.00 0.00 175.55 178.45 2opu s ARG 25 N 1.07 3.74 -0.11 4.97 0.52 -1.26 -1.80 118.95 126.08 2opu s ARG 25 Ca 0.24 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 2opu s ARG 25 Cb -0.15 -3.88 0.02 0.00 0.52 0.00 0.00 34.95 31.47 2opu s ARG 25 CO 0.09 -1.23 -0.09 0.54 0.02 0.00 0.00 175.30 174.63 2opu s VAL 26 N 4.08 1.13 0.59 3.52 0.11 -0.87 -4.95 120.40 124.00 2opu s VAL 26 Ca 0.44 -0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 58.94 2opu s VAL 26 Cb -0.09 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2opu s VAL 26 CO 0.27 0.38 1.14 -2.16 -3.33 0.00 0.00 175.10 171.40 2opu s PRO 27 N 1.50 3.10 0.34 1.54 0.04 -1.26 -1.10 135.00 139.16 2opu s PRO 27 Ca 0.02 1.61 0.07 0.00 0.04 0.00 0.00 61.00 62.74 2opu s PRO 27 Cb -0.13 -1.97 0.76 0.00 0.04 0.00 0.00 34.50 33.20 2opu s PRO 27 CO -0.07 -1.06 1.86 0.38 0.04 0.00 0.00 177.00 178.16 2opu h ASP 28 N 0.80 0.71 0.13 6.66 3.04 -1.93 0.38 116.42 126.21 2opu h ASP 28 Ca -0.49 0.04 -0.06 0.00 -3.24 0.00 0.00 57.03 53.28 2opu h ASP 28 Cb 1.27 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2opu h ASP 28 CO 0.56 0.36 -0.21 1.23 -2.04 0.00 0.00 179.24 179.14 2opu h GLY 29 N 0.75 0.17 2.00 7.15 0.00 -1.97 -1.50 103.07 109.68 2opu h GLY 29 Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2opu h GLY 29 CO -0.22 0.11 0.00 -0.33 0.00 0.00 0.00 176.54 176.10 2opu h MET 30 N 0.15 0.00 -0.20 4.80 2.86 -0.59 -2.64 114.93 119.30 2opu h MET 30 Ca 0.03 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2opu h MET 30 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2opu h MET 30 CO 0.03 0.00 -0.22 0.28 1.06 0.00 0.00 176.91 178.06 2opu h VAL 31 N 0.00 1.33 -0.15 -2.22 2.07 -0.73 0.28 116.25 116.83 2opu h VAL 31 Ca 0.00 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 2opu h VAL 31 Cb 0.74 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2opu h VAL 31 CO 0.00 0.42 -0.02 1.23 0.02 0.00 0.00 177.57 179.22 2opu h GLY 32 N 0.17 0.23 1.16 2.17 0.00 -1.29 -2.68 103.07 102.84 2opu h GLY 32 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2opu h GLY 32 CO 0.05 0.11 -1.08 1.41 0.00 0.00 0.00 176.54 177.03 2opu h LEU 33 N 0.21 0.00 -0.90 3.11 3.38 -1.35 -2.63 115.31 117.13 2opu h LEU 33 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2opu h LEU 33 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2opu h LEU 33 CO 0.01 0.32 -0.54 -0.29 0.09 0.00 0.00 178.44 178.03 2opu h ILE 34 N 0.00 1.37 0.00 1.22 6.09 -0.12 -0.43 117.51 125.64 2opu h ILE 34 Ca -0.08 -1.87 0.00 0.00 -1.37 0.00 0.00 64.86 61.54 2opu h ILE 34 Cb 1.31 2.02 0.00 0.00 0.47 0.00 0.00 36.82 40.62 2opu h ILE 34 CO 0.03 0.53 -0.41 0.16 -3.07 0.00 0.00 178.15 175.39 2opu h ILE 35 N 0.00 0.00 0.00 2.19 3.07 -1.60 -3.31 117.51 117.86 2opu h ILE 35 Ca -0.01 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2opu h ILE 35 Cb 0.97 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2opu h ILE 35 CO 0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 2opu n GLY 36 N 1.31 0.23 2.00 0.16 0.00 -0.17 -2.42 105.19 106.30 2opu n GLY 36 Ca 0.04 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 1.54 -1.07 1.61 1.85 -1.26 -4.64 116.66 114.68 2opu n ARG 37 Ca 0.00 -0.70 -0.02 0.00 -1.00 0.00 0.00 57.85 56.13 2opu n ARG 37 Cb 0.00 -1.78 -0.01 0.00 -1.05 0.00 0.00 32.46 29.62 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 2.42 0.40 0.00 2.89 0.00 -1.21 -3.65 105.19 106.05 2opu n GLY 38 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.72 3.40 0.33 -0.02 0.00 -1.09 -5.00 105.19 102.09 2opu n GLY 39 Ca -0.02 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.26 0.23 1.61 4.81 -1.67 -2.96 114.58 116.86 2opu h GLU 40 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2opu h GLU 40 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2opu h GLU 40 CO 0.00 0.17 -0.11 0.37 -0.73 0.00 0.00 179.01 178.71 2opu h GLN 41 N 0.27 -0.30 -0.77 1.92 4.15 -1.76 0.78 115.11 119.40 2opu h GLN 41 Ca 0.18 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 2opu h GLN 41 Cb 0.39 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2opu h GLN 41 CO -0.04 -0.13 0.40 0.97 -1.93 0.00 0.00 178.83 178.09 2opu h ILE 42 N -0.40 1.24 -0.26 2.39 6.09 -1.61 0.22 117.51 125.18 2opu h ILE 42 Ca -0.03 -0.63 0.02 0.00 -1.37 0.00 0.00 64.86 62.85 2opu h ILE 42 Cb 0.30 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 37.81 2opu h ILE 42 CO 0.05 0.27 0.10 -1.13 -3.07 0.00 0.00 178.15 174.38 2opu h ASN 43 N 1.08 0.13 -0.95 2.19 -1.24 -1.50 0.22 115.58 115.49 2opu h ASN 43 Ca 0.27 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.31 2opu h ASN 43 Cb 0.08 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.09 2opu h ASN 43 CO -0.04 0.11 0.62 0.50 -1.29 0.00 0.00 177.43 177.33 2opu h LYS 44 N 0.23 1.26 0.04 6.67 3.11 -0.00 0.10 116.57 127.98 2opu h LYS 44 Ca 0.11 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2opu h LYS 44 Cb 0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 2opu h LYS 44 CO -0.11 0.84 -0.02 0.82 -2.81 0.00 0.00 179.45 178.18 2opu h ILE 45 N 1.30 1.32 0.00 2.00 2.04 0.02 -0.72 117.51 123.46 2opu h ILE 45 Ca 0.35 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 2opu h ILE 45 Cb -0.14 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2opu h ILE 45 CO -0.07 0.30 -0.40 0.06 0.00 0.00 0.00 178.15 178.04 2opu h GLN 46 N -0.60 0.00 0.10 2.37 -0.00 -0.49 -1.52 115.11 114.97 2opu h GLN 46 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.38 2opu h GLN 46 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.03 2opu h GLN 46 CO 0.01 0.40 -1.16 0.37 -0.00 0.00 0.00 178.83 178.45 2opu h GLN 47 N 0.00 0.37 -0.62 0.06 5.75 -0.84 0.16 115.11 119.98 2opu h GLN 47 Ca -0.00 -0.52 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 2opu h GLN 47 Cb 0.89 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.59 2opu h GLN 47 CO 0.05 1.21 0.30 0.22 -2.65 0.00 0.00 178.83 177.96 2opu h ASP 48 N 0.15 0.82 0.26 -0.69 3.58 -0.75 -3.21 116.42 116.58 2opu h ASP 48 Ca -0.13 -0.13 -0.34 0.00 0.42 0.00 0.00 57.03 56.85 2opu h ASP 48 Cb 1.85 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.70 2opu h ASP 48 CO 0.20 0.72 -1.68 0.77 -2.88 0.00 0.00 179.24 176.37 2opu h SER 49 N 0.85 0.57 0.00 2.28 4.64 -1.35 -3.48 113.55 117.06 2opu h SER 49 Ca 0.21 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2opu h SER 49 Cb 0.12 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2opu h SER 49 CO -0.03 1.69 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 2opu n GLY 50 N 1.80 1.12 3.87 -0.77 0.00 0.41 -4.23 105.19 107.40 2opu n GLY 50 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.23 3.81 -2.75 0.00 5.02 0.11 -4.52 118.16 118.61 2opu n LYS 52 Ca 0.02 -4.57 -0.43 0.00 -2.02 0.00 0.00 58.31 51.31 2opu n LYS 52 Cb 0.54 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 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 -2.51 4.71 -0.21 -0.18 1.01 -1.26 -3.89 120.40 118.07 2opu s VAL 53 Ca 0.33 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 64.07 2opu s VAL 53 Cb 0.05 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2opu s VAL 53 CO 0.05 -0.19 -0.08 -1.10 0.00 0.00 0.00 175.10 173.78 2opu s GLN 54 N 3.13 3.30 -0.89 2.72 -1.52 -0.31 -4.98 119.66 121.11 2opu s GLN 54 Ca 0.41 -0.67 -0.23 0.00 -1.95 0.00 0.00 55.36 52.92 2opu s GLN 54 Cb -0.15 -2.90 0.07 0.00 -0.22 0.00 0.00 33.01 29.81 2opu s GLN 54 CO 0.08 -0.18 1.27 0.42 -0.25 0.00 0.00 175.29 176.62 2opu s ILE 55 N 1.39 4.15 -0.45 1.08 -1.09 -1.26 -0.42 121.20 124.59 2opu s ILE 55 Ca 0.05 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 57.49 2opu s ILE 55 Cb -0.14 -4.91 0.03 0.00 -1.58 0.00 0.00 42.46 35.86 2opu s ILE 55 CO -0.05 -1.74 1.15 -0.55 -1.23 0.00 0.00 174.94 172.51 2opu s SER 56 N 4.22 6.66 0.00 3.58 0.15 0.57 -4.86 113.70 124.02 2opu s SER 56 Ca 0.37 0.56 0.29 0.00 0.70 0.00 0.00 55.95 57.87 2opu s SER 56 Cb -0.05 -2.55 1.22 0.00 -1.71 0.00 0.00 66.02 62.93 2opu s SER 56 CO -0.02 -1.22 1.90 -2.65 1.20 0.00 0.00 173.24 172.45 2opu n PRO 57 N 7.74 0.06 0.09 5.44 -0.02 -1.26 -2.78 135.00 144.27 2opu n PRO 57 Ca 0.12 -0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 2opu n PRO 57 Cb 0.49 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 2opu n PRO 57 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2opu h ASP 58 N 0.01 0.70 0.00 2.55 5.19 -1.92 -3.47 116.42 119.49 2opu h ASP 58 Ca 0.00 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 2opu h ASP 58 Cb 0.47 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2opu h ASP 58 CO 0.00 1.48 0.00 -1.20 -3.12 0.00 0.00 179.24 176.40 2opu n SER 59 N -3.72 0.00 0.00 6.45 7.64 -1.19 -4.85 113.62 117.95 2opu n SER 59 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2opu n SER 59 Cb 0.97 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2opu n GLY 60 N 0.00 2.12 0.42 0.23 0.00 -1.26 -3.62 105.19 103.07 2opu n GLY 60 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 3.21 -0.02 0.00 -1.26 -4.86 105.19 102.21 2opu n GLY 61 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.67 2.03 0.16 0.99 1.02 -1.24 -5.02 118.68 114.95 2opu s LEU 62 Ca 0.33 -0.37 0.18 0.00 0.02 0.00 0.00 54.13 54.29 2opu s LEU 62 Cb 0.18 -1.06 -0.04 0.00 0.02 0.00 0.00 46.19 45.29 2opu s LEU 62 CO 0.27 0.25 1.05 1.55 0.02 0.00 0.00 176.35 179.49 2opu h PRO 63 N 5.68 0.00 0.00 1.29 0.13 -1.93 -3.44 132.00 133.73 2opu h PRO 63 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2opu h PRO 63 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2opu h PRO 63 CO 0.48 0.27 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 2opu n GLU 64 N -2.94 0.00 -3.49 0.86 0.28 -1.26 -4.99 120.64 109.11 2opu n GLU 64 Ca -0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.80 2opu n GLU 64 Cb 0.74 -0.17 -0.04 0.00 1.43 0.00 0.00 31.44 33.40 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 0.00 1.11 -0.08 3.44 6.06 -0.26 -4.54 118.95 124.68 2opu s ARG 65 Ca 0.00 -0.03 0.03 0.00 -2.50 0.00 0.00 55.73 53.24 2opu s ARG 65 Cb 0.00 0.52 0.01 0.00 0.06 0.00 0.00 34.95 35.54 2opu s ARG 65 CO 0.00 -0.41 -0.18 -1.54 -2.50 0.00 0.00 175.30 170.67 2opu s SER 66 N -1.79 2.40 -0.30 -2.12 1.04 -1.12 -2.05 113.70 109.76 2opu s SER 66 Ca -0.06 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 2opu s SER 66 Cb -0.00 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 2opu s SER 66 CO 0.01 0.10 0.14 -0.69 0.98 0.00 0.00 173.24 173.77 2opu s VAL 67 N 0.49 4.48 -0.22 5.02 1.01 -0.74 -0.31 120.40 130.11 2opu s VAL 67 Ca -0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2opu s VAL 67 Cb -0.17 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2opu s VAL 67 CO 0.06 0.08 1.05 -0.44 0.00 0.00 0.00 175.10 175.85 2opu s SER 68 N 1.59 7.10 -0.36 3.32 0.01 0.44 -1.40 113.70 124.40 2opu s SER 68 Ca 0.04 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 58.68 2opu s SER 68 Cb -0.17 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.60 2opu s SER 68 CO 0.05 -0.66 0.11 -0.76 0.41 0.00 0.00 173.24 172.40 2opu s LEU 69 N 3.15 4.63 -0.07 2.44 1.43 -0.06 -1.16 118.68 129.03 2opu s LEU 69 Ca 0.45 -1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 51.77 2opu s LEU 69 Cb -0.16 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2opu s LEU 69 CO 0.07 -0.41 0.35 -0.89 0.23 0.00 0.00 176.35 175.70 2opu s THR 70 N 1.22 0.03 0.00 5.49 2.01 -1.25 -1.37 115.64 121.76 2opu s THR 70 Ca 0.02 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2opu s THR 70 Cb -0.21 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2opu s THR 70 CO -0.02 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 2opu n GLY 71 N 2.05 -1.80 3.18 4.40 0.00 -0.49 0.09 105.19 112.62 2opu n GLY 71 Ca -0.17 0.82 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 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 1.05 0.05 4.61 0.00 -1.25 -2.51 121.76 122.71 2opu s ALA 72 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 2opu s ALA 72 Cb 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2opu s ALA 72 CO 0.00 -0.43 1.21 -1.35 0.00 0.00 0.00 175.76 175.20 2opu h PRO 73 N 2.80 -0.13 -0.45 0.00 0.11 -1.96 0.47 132.00 132.83 2opu h PRO 73 Ca -0.36 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 2opu h PRO 73 Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2opu h PRO 73 CO 0.61 -0.09 -0.27 1.49 -0.21 0.00 0.00 178.00 179.52 2opu h GLU 74 N -0.13 0.99 -0.40 1.05 4.81 -1.98 -3.18 114.58 115.73 2opu h GLU 74 Ca 0.03 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2opu h GLU 74 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2opu h GLU 74 CO -0.25 1.13 0.25 0.77 -0.73 0.00 0.00 179.01 180.18 2opu h SER 75 N 0.84 0.43 0.53 1.04 0.02 -1.59 -1.34 113.55 113.48 2opu h SER 75 Ca 0.09 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.88 2opu h SER 75 Cb 0.86 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2opu h SER 75 CO 0.08 0.31 -0.71 1.62 -1.14 0.00 0.00 176.83 176.98 2opu h VAL 76 N 0.51 1.45 -0.45 2.27 3.04 -0.14 0.12 116.25 123.06 2opu h VAL 76 Ca 0.15 -2.29 -0.08 0.00 -1.01 0.00 0.00 66.70 63.47 2opu h VAL 76 Cb -0.04 2.22 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 2opu h VAL 76 CO -0.05 0.67 -0.05 1.56 -1.01 0.00 0.00 177.57 178.69 2opu h GLN 77 N 0.10 0.82 -0.28 4.17 4.20 -1.46 -1.66 115.11 121.01 2opu h GLN 77 Ca -0.02 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.27 2opu h GLN 77 Cb 1.26 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2opu h GLN 77 CO 0.10 0.91 -0.34 -0.22 -0.67 0.00 0.00 178.83 178.61 2opu h LYS 78 N 0.66 0.72 -0.68 1.46 3.11 -1.02 0.16 116.57 120.98 2opu h LYS 78 Ca 0.12 -0.40 -0.07 0.00 -2.81 0.00 0.00 60.65 57.49 2opu h LYS 78 Cb 0.57 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 2opu h LYS 78 CO 0.03 1.02 0.16 0.00 -2.81 0.00 0.00 179.45 177.86 2opu h ALA 79 N 0.68 1.01 0.00 5.00 0.00 -0.96 -2.60 119.26 122.40 2opu h ALA 79 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2opu h ALA 79 Cb 0.92 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2opu h ALA 79 CO 0.08 0.65 -0.24 0.87 0.00 0.00 0.00 179.25 180.61 2opu h LYS 80 N 1.02 0.00 -0.25 0.00 1.57 -1.22 -2.61 116.57 115.07 2opu h LYS 80 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2opu h LYS 80 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2opu h LYS 80 CO 0.00 0.11 0.16 1.98 -0.57 0.00 0.00 179.45 181.14 2opu h MET 81 N 0.00 0.33 -0.37 3.15 4.05 -0.58 0.28 114.93 121.79 2opu h MET 81 Ca -0.01 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 2opu h MET 81 Cb 1.10 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2opu h MET 81 CO 0.02 0.24 -0.26 0.52 0.23 0.00 0.00 176.91 177.65 2opu h MET 82 N 0.33 0.77 -0.04 0.39 2.86 -1.39 -2.50 114.93 115.35 2opu h MET 82 Ca 0.09 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2opu h MET 82 Cb -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2opu h MET 82 CO -0.02 0.95 0.00 -0.07 1.06 0.00 0.00 176.91 178.83 2opu h LEU 83 N 0.66 -0.01 -0.83 1.22 -0.00 -1.18 -2.14 115.31 113.03 2opu h LEU 83 Ca 0.09 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.10 2opu h LEU 83 Cb 0.78 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.36 2opu h LEU 83 CO 0.06 0.00 0.44 -0.78 -0.00 0.00 0.00 178.44 178.17 2opu h ASP 84 N 0.02 0.56 0.65 -0.43 3.58 -0.38 0.12 116.42 120.54 2opu h ASP 84 Ca 0.02 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2opu h ASP 84 Cb 0.02 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2opu h ASP 84 CO -0.03 0.27 -0.32 -0.78 -2.88 0.00 0.00 179.24 175.50 2opu h ASP 85 N 0.66 -0.76 -0.26 2.28 1.82 -0.95 -0.78 116.42 118.43 2opu h ASP 85 Ca 0.44 0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.94 2opu h ASP 85 Cb 0.56 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2opu h ASP 85 CO -0.33 -0.54 -0.48 0.40 -1.61 0.00 0.00 179.24 176.68 2opu h ILE 86 N -0.89 1.29 0.00 2.25 5.03 -1.18 -2.16 117.51 121.86 2opu h ILE 86 Ca -0.09 -1.68 -0.01 0.00 -0.12 0.00 0.00 64.86 62.96 2opu h ILE 86 Cb 0.68 1.70 -0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2opu h ILE 86 CO 0.14 0.54 -0.07 0.58 -0.68 0.00 0.00 178.15 178.66 2opu h VAL 87 N 0.54 0.44 0.00 1.67 2.07 -0.75 -0.82 116.25 119.40 2opu h VAL 87 Ca 0.01 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2opu h VAL 87 Cb 1.09 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2opu h VAL 87 CO 0.11 0.07 -1.02 0.28 0.02 0.00 0.00 177.57 177.03 2opu h SER 88 N 0.00 0.00 1.10 0.57 0.02 -0.89 0.34 113.55 114.69 2opu h SER 88 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2opu h SER 88 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2opu h SER 88 CO 0.01 0.60 0.00 -2.11 -1.14 0.00 0.00 176.83 174.19 2opu n ARG 89 N -3.07 0.15 -0.06 3.45 1.85 -0.36 -1.50 116.66 117.11 2opu n ARG 89 Ca -0.04 0.20 -0.09 0.00 -1.00 0.00 0.00 57.85 56.92 2opu n ARG 89 Cb 0.81 -1.70 -0.06 0.00 -1.05 0.00 0.00 32.46 30.46 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 0.97 -0.18 2.46 2.89 0.00 -0.91 -4.76 105.19 105.66 2opu n GLY 90 Ca 0.05 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2opu n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2opu n ARG 91 N -2.87 3.32 -1.07 1.61 5.12 0.12 -4.76 116.66 118.13 2opu n ARG 91 Ca -0.22 -4.23 -0.24 0.00 -1.93 0.00 0.00 57.85 51.23 2opu n ARG 91 Cb 0.74 -2.26 0.09 0.00 -1.16 0.00 0.00 32.46 29.86 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2opu n GLY 92 N -0.55 4.71 0.00 -0.13 0.00 -0.56 -4.66 105.19 104.00 2opu n GLY 92 Ca 0.44 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93