#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctm s SER 2 N 0.00 3.34 0.62 1.61 0.15 -1.26 -5.06 113.70 113.11 2ctm s SER 2 Ca 0.00 0.74 -0.09 0.00 0.70 0.00 0.00 55.95 57.30 2ctm s SER 2 Cb 0.00 -1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 63.16 2ctm s SER 2 CO 0.00 -2.63 0.99 -0.44 1.20 0.00 0.00 173.24 172.35 2ctm s SER 3 N -4.32 5.81 0.00 5.45 0.01 -1.26 -5.08 113.70 114.32 2ctm s SER 3 Ca 0.66 1.08 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2ctm s SER 3 Cb -0.11 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2ctm s SER 3 CO 0.53 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2ctm n GLY 4 N -2.73 0.98 2.94 3.44 0.00 -1.26 -5.18 105.19 103.39 2ctm n GLY 4 Ca 0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2ctm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctm s SER 5 N 0.00 0.24 -0.74 1.61 0.01 -1.26 -5.10 113.70 108.46 2ctm s SER 5 Ca 0.00 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2ctm s SER 5 Cb 0.00 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.32 2ctm s SER 5 CO 0.00 -0.14 1.19 -0.94 0.41 0.00 0.00 173.24 173.76 2ctm s SER 6 N -0.79 6.20 0.00 2.44 1.04 -1.26 -4.99 113.70 116.33 2ctm s SER 6 Ca -0.08 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2ctm s SER 6 Cb -0.05 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2ctm s SER 6 CO -0.00 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.15 2ctm n GLY 7 N 5.46 1.40 3.92 7.32 0.00 -1.26 -5.10 105.19 116.93 2ctm n GLY 7 Ca 0.03 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 2ctm n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctm s ARG 8 N 2.54 2.96 0.18 1.61 1.81 -1.26 -5.11 118.95 121.67 2ctm s ARG 8 Ca 0.00 -0.11 -0.22 0.00 -1.72 0.00 0.00 55.73 53.68 2ctm s ARG 8 Cb 0.00 -2.33 0.06 0.00 -0.45 0.00 0.00 34.95 32.23 2ctm s ARG 8 CO 0.00 -0.60 0.61 0.96 -0.68 0.00 0.00 175.30 175.58 2ctm s ILE 9 N -2.90 0.00 -0.21 1.52 -5.25 -1.26 -5.07 121.20 108.04 2ctm s ILE 9 Ca 0.53 -0.19 0.08 0.00 -0.99 0.00 0.00 60.65 60.07 2ctm s ILE 9 Cb -0.10 -1.17 -0.18 0.00 2.95 0.00 0.00 42.46 43.95 2ctm s ILE 9 CO 0.44 -0.02 -0.09 0.52 -1.79 0.00 0.00 174.94 174.00 2ctm n VAL 10 N -0.38 1.29 -3.00 8.37 0.31 -1.26 -5.00 118.33 118.65 2ctm n VAL 10 Ca -0.15 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2ctm n VAL 10 Cb 0.64 -0.98 -0.00 0.00 -0.91 0.00 0.00 33.84 32.59 2ctm n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ctm n GLY 11 N 2.18 -2.11 3.87 2.92 0.00 -1.26 -4.83 105.19 105.97 2ctm n GLY 11 Ca -0.36 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2ctm n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ctm s GLU 12 N -0.28 3.66 0.11 1.61 0.41 -1.26 -5.02 118.70 117.93 2ctm s GLU 12 Ca 0.00 0.05 -0.33 0.00 -0.41 0.00 0.00 54.97 54.28 2ctm s GLU 12 Cb 0.00 -3.10 -0.12 0.00 -1.78 0.00 0.00 34.13 29.13 2ctm s GLU 12 CO 0.00 0.65 1.57 -0.07 -0.49 0.00 0.00 175.26 176.93 2ctm h LEU 13 N 4.17 -1.39 -1.43 1.80 -0.00 -1.96 -0.85 115.31 115.65 2ctm h LEU 13 Ca -0.51 0.15 0.18 0.00 -0.00 0.00 0.00 57.88 57.70 2ctm h LEU 13 Cb 1.20 0.51 -0.07 0.00 -0.00 0.00 0.00 40.66 42.31 2ctm h LEU 13 CO 0.64 -0.54 0.58 -0.33 -0.00 0.00 0.00 178.44 178.80 2ctm h GLU 14 N -0.73 0.48 0.00 1.13 5.08 -2.02 0.34 114.58 118.87 2ctm h GLU 14 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2ctm h GLU 14 Cb 0.73 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ctm h GLU 14 CO -0.24 0.32 -0.28 1.96 -1.00 0.00 0.00 179.01 179.77 2ctm h GLN 15 N 0.50 0.00 -6.97 2.33 1.08 -1.61 -3.44 115.11 107.00 2ctm h GLN 15 Ca 0.46 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 57.10 2ctm h GLN 15 Cb 1.02 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.61 2ctm h GLN 15 CO -0.19 0.28 0.34 -1.33 -0.95 0.00 0.00 178.83 176.98 2ctm n MET 16 N -3.92 1.08 -4.40 1.46 2.81 0.12 -4.73 117.12 109.55 2ctm n MET 16 Ca -0.02 0.42 -0.22 0.00 -1.81 0.00 0.00 57.70 56.07 2ctm n MET 16 Cb 0.35 -2.37 -0.13 0.00 -0.71 0.00 0.00 33.22 30.37 2ctm n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ctm s VAL 17 N -1.43 1.43 -0.26 2.03 -7.23 0.53 -4.83 120.40 110.64 2ctm s VAL 17 Ca 0.78 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 2ctm s VAL 17 Cb -0.40 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 2ctm s VAL 17 CO 0.44 0.02 0.06 -0.44 -0.31 0.00 0.00 175.10 174.88 2ctm s SER 18 N -1.42 5.04 0.28 4.85 0.01 -1.26 -1.41 113.70 119.80 2ctm s SER 18 Ca 0.04 -0.42 0.10 0.00 1.31 0.00 0.00 55.95 56.98 2ctm s SER 18 Cb -0.09 -1.89 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2ctm s SER 18 CO 0.02 -0.10 -0.02 -1.61 0.41 0.00 0.00 173.24 171.94 2ctm s GLU 19 N 1.56 2.17 -0.23 12.44 0.41 -0.37 -4.96 118.70 129.72 2ctm s GLU 19 Ca 0.05 -1.53 -0.07 0.00 -0.41 0.00 0.00 54.97 53.01 2ctm s GLU 19 Cb -0.16 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.10 2ctm s GLU 19 CO 0.02 0.31 0.06 0.16 -0.49 0.00 0.00 175.26 175.32 2ctm s ASP 20 N -3.66 5.16 -0.20 -0.19 1.47 -1.26 -1.36 116.67 116.63 2ctm s ASP 20 Ca 0.32 -0.17 -0.02 0.00 1.18 0.00 0.00 52.55 53.87 2ctm s ASP 20 Cb -0.05 -1.92 0.00 0.00 -0.34 0.00 0.00 42.92 40.62 2ctm s ASP 20 CO 0.19 0.01 -0.11 -0.69 0.68 0.00 0.00 175.17 175.24 2ctm s VAL 21 N 1.37 2.78 -0.50 2.11 1.01 -0.13 -4.94 120.40 122.09 2ctm s VAL 21 Ca 0.05 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 2ctm s VAL 21 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2ctm s VAL 21 CO 0.03 0.48 1.80 -2.16 0.00 0.00 0.00 175.10 175.24 2ctm s PRO 22 N 1.38 2.95 -0.08 2.72 0.04 -1.26 -0.89 135.00 139.85 2ctm s PRO 22 Ca 0.05 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.04 2ctm s PRO 22 Cb -0.14 -4.29 -0.00 0.00 0.04 0.00 0.00 34.50 30.11 2ctm s PRO 22 CO -0.08 -2.34 -0.24 -1.17 0.04 0.00 0.00 177.00 173.22 2ctm s LEU 23 N 8.01 2.07 0.52 -3.56 2.96 0.30 -4.95 118.68 124.02 2ctm s LEU 23 Ca 0.71 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.86 2ctm s LEU 23 Cb -0.16 -1.37 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 2ctm s LEU 23 CO 0.26 0.18 1.34 -0.62 -1.32 0.00 0.00 176.35 176.19 2ctm s ASP 24 N 0.19 5.52 0.29 3.68 -1.08 -1.26 -3.88 116.67 120.13 2ctm s ASP 24 Ca -0.14 2.72 0.26 0.00 -0.52 0.00 0.00 52.55 54.86 2ctm s ASP 24 Cb -0.16 -2.63 0.76 0.00 -1.46 0.00 0.00 42.92 39.42 2ctm s ASP 24 CO 0.07 -1.40 1.74 1.12 0.52 0.00 0.00 175.17 177.22 2ctm h HIS 25 N 1.70 0.00 0.00 -5.34 2.07 -1.90 -3.01 115.15 108.68 2ctm h HIS 25 Ca -0.51 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.01 2ctm h HIS 25 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 2ctm h HIS 25 CO 0.48 0.00 -0.01 0.00 -3.07 0.00 0.00 177.93 175.33 2ctm h ARG 26 N 0.00 0.00 -0.27 5.12 3.08 -1.93 -3.11 114.38 117.27 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ctm h ARG 26 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2ctm h ARG 26 CO 0.00 0.01 0.00 1.33 -1.07 0.00 0.00 179.97 180.24 2ctm n VAL 27 N -3.10 1.04 0.02 2.04 0.24 -1.16 -4.67 118.33 112.73 2ctm n VAL 27 Ca 0.03 -1.03 -0.01 0.00 -2.04 0.00 0.00 64.34 61.29 2ctm n VAL 27 Cb 0.46 0.48 -0.00 0.00 -1.47 0.00 0.00 33.84 33.31 2ctm n VAL 27 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2ctm h HIS 28 N 1.56 -0.05 -0.94 6.34 3.86 -1.46 -2.47 115.15 121.99 2ctm h HIS 28 Ca 0.00 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 2ctm h HIS 28 Cb 0.70 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.10 2ctm h HIS 28 CO 0.19 -0.03 0.60 0.00 0.86 0.00 0.00 177.93 179.54 2ctm h ALA 29 N -1.95 1.81 -0.71 2.45 0.00 -1.85 0.21 119.26 119.22 2ctm h ALA 29 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2ctm h ALA 29 Cb 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2ctm h ALA 29 CO 0.01 -0.09 0.41 0.00 0.00 0.00 0.00 179.25 179.58 2ctm h ARG 30 N 0.71 0.74 0.11 0.00 -0.00 -1.83 -0.49 114.38 113.61 2ctm h ARG 30 Ca 0.49 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.98 59.74 2ctm h ARG 30 Cb 0.81 -0.17 0.02 0.00 0.00 0.00 0.00 29.97 30.63 2ctm h ARG 30 CO -0.26 0.49 -0.81 0.82 0.00 0.00 0.00 179.97 180.21 2ctm h ILE 31 N 0.76 1.47 -0.41 2.04 2.04 -0.62 -3.33 117.51 119.45 2ctm h ILE 31 Ca 0.31 -2.42 0.08 0.00 1.00 0.00 0.00 64.86 63.84 2ctm h ILE 31 Cb 0.17 3.01 -0.08 0.00 -0.74 0.00 0.00 36.82 39.19 2ctm h ILE 31 CO -0.17 0.69 -0.07 0.40 0.00 0.00 0.00 178.15 179.00 2ctm h ILE 32 N -0.25 0.61 -0.12 -0.67 2.04 -0.44 -2.90 117.51 115.80 2ctm h ILE 32 Ca -0.13 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ctm h ILE 32 Cb 1.59 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2ctm h ILE 32 CO 0.15 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.92 2ctm n GLY 33 N -1.30 -0.35 0.32 5.37 0.00 -0.21 -3.19 105.19 105.82 2ctm n GLY 33 Ca 0.03 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 2ctm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm n ALA 34 N 1.69 -0.36 0.14 4.61 0.00 -1.26 0.16 120.51 125.49 2ctm n ALA 34 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2ctm n ALA 34 Cb 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 19.45 19.41 2ctm n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctm h ARG 35 N 0.00 0.00 0.00 0.00 -0.00 -1.98 -3.47 114.38 108.93 2ctm h ARG 35 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 2ctm h ARG 35 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.33 2ctm h ARG 35 CO -0.74 0.61 0.00 0.41 0.00 0.00 0.00 179.97 180.25 2ctm n GLY 36 N 0.59 0.87 0.14 0.04 0.00 0.43 -4.99 105.19 102.27 2ctm n GLY 36 Ca -0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2ctm n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ctm h LYS 37 N 1.06 0.32 -0.63 1.61 1.63 -1.78 -3.36 116.57 115.42 2ctm h LYS 37 Ca 0.00 -0.55 0.06 0.00 -0.85 0.00 0.00 60.65 59.31 2ctm h LYS 37 Cb 0.00 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 31.75 2ctm h LYS 37 CO 0.00 1.26 -0.43 0.00 -3.45 0.00 0.00 179.45 176.83 2ctm h ALA 38 N 0.07 -0.46 -0.39 5.00 0.00 -1.82 1.05 119.26 122.70 2ctm h ALA 38 Ca -0.38 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2ctm h ALA 38 Cb 2.03 1.22 -0.02 0.00 0.00 0.00 0.00 17.79 21.03 2ctm h ALA 38 CO 0.12 -0.74 0.39 0.97 0.00 0.00 0.00 179.25 179.99 2ctm h ILE 39 N -0.07 0.45 -0.20 0.00 6.09 -1.47 0.15 117.51 122.45 2ctm h ILE 39 Ca 0.10 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.57 2ctm h ILE 39 Cb 0.33 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.30 2ctm h ILE 39 CO -0.63 0.00 0.04 -0.09 -3.07 0.00 0.00 178.15 174.39 2ctm h ARG 40 N 0.00 0.29 0.08 2.19 9.65 0.99 -1.07 114.38 126.51 2ctm h ARG 40 Ca 0.19 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2ctm h ARG 40 Cb 0.97 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2ctm h ARG 40 CO -0.00 0.29 -0.04 -0.22 2.80 0.00 0.00 179.97 182.80 2ctm h LYS 41 N 0.29 -0.10 -0.49 0.20 3.64 -0.41 1.00 116.57 120.70 2ctm h LYS 41 Ca 0.07 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 2ctm h LYS 41 Cb 0.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2ctm h LYS 41 CO -0.00 -0.01 -0.22 0.82 -2.27 0.00 0.00 179.45 177.77 2ctm h ILE 42 N -0.17 1.27 -0.44 2.00 2.04 -1.59 0.40 117.51 121.03 2ctm h ILE 42 Ca -0.01 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2ctm h ILE 42 Cb 0.14 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2ctm h ILE 42 CO 0.02 0.48 0.23 0.24 0.00 0.00 0.00 178.15 179.12 2ctm h MET 43 N 0.87 0.62 -0.14 2.37 2.86 -1.07 -2.34 114.93 118.10 2ctm h MET 43 Ca 0.11 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 2ctm h MET 43 Cb 0.80 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 2ctm h MET 43 CO 0.07 0.51 -0.66 -0.44 1.06 0.00 0.00 176.91 177.44 2ctm h ASP 44 N 0.57 0.64 0.05 1.22 5.19 -0.74 0.97 116.42 124.32 2ctm h ASP 44 Ca 0.15 -0.39 0.03 0.00 -0.62 0.00 0.00 57.03 56.20 2ctm h ASP 44 Cb 0.08 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2ctm h ASP 44 CO -0.02 1.13 -0.25 -0.08 -3.12 0.00 0.00 179.24 176.89 2ctm h GLU 45 N 0.40 -0.41 -0.19 3.56 4.81 -0.67 -2.61 114.58 119.46 2ctm h GLU 45 Ca -0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2ctm h GLU 45 Cb 1.24 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2ctm h GLU 45 CO 0.12 -0.27 0.00 1.19 -0.73 0.00 0.00 179.01 179.32 2ctm n PHE 46 N -5.37 0.23 -3.70 0.92 3.72 -0.90 -4.96 117.46 107.40 2ctm n PHE 46 Ca -0.06 -0.12 -0.26 0.00 -0.05 0.00 0.00 57.45 56.97 2ctm n PHE 46 Cb 0.28 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.89 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ctm n LYS 47 N 1.32 -7.24 -4.17 -1.08 4.76 0.28 -4.79 118.16 107.23 2ctm n LYS 47 Ca 0.17 0.76 -0.23 0.00 -2.87 0.00 0.00 58.31 56.13 2ctm n LYS 47 Cb 0.58 -5.77 -0.07 0.00 -1.84 0.00 0.00 35.03 27.94 2ctm n LYS 47 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ctm s VAL 48 N -3.31 3.20 -0.34 -0.18 -7.23 0.20 -4.82 120.40 107.91 2ctm s VAL 48 Ca 0.61 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2ctm s VAL 48 Cb -0.28 -2.95 0.09 0.00 0.56 0.00 0.00 36.38 33.80 2ctm s VAL 48 CO 0.76 -0.25 0.07 -1.81 -0.31 0.00 0.00 175.10 173.56 2ctm s ASP 49 N -3.79 4.86 -0.55 4.85 1.01 -1.10 -4.42 116.67 117.53 2ctm s ASP 49 Ca 0.35 -1.97 -0.25 0.00 0.71 0.00 0.00 52.55 51.39 2ctm s ASP 49 Cb -0.04 -1.68 0.04 0.00 1.01 0.00 0.00 42.92 42.25 2ctm s ASP 49 CO 0.22 -0.39 1.00 -0.63 0.21 0.00 0.00 175.17 175.58 2ctm s ILE 50 N 1.01 4.31 -0.47 0.77 1.01 -1.26 -1.97 121.20 124.60 2ctm s ILE 50 Ca 0.07 0.48 -0.18 0.00 0.00 0.00 0.00 60.65 61.02 2ctm s ILE 50 Cb -0.20 -4.57 0.05 0.00 0.01 0.00 0.00 42.46 37.75 2ctm s ILE 50 CO -0.06 -1.13 0.53 -0.60 0.00 0.00 0.00 174.94 173.68 2ctm s ARG 51 N 4.16 3.10 0.52 2.79 6.06 -0.63 -4.93 118.95 130.01 2ctm s ARG 51 Ca 0.34 -0.92 -0.19 0.00 -2.50 0.00 0.00 55.73 52.46 2ctm s ARG 51 Cb -0.11 -4.06 -0.07 0.00 0.06 0.00 0.00 34.95 30.77 2ctm s ARG 51 CO 0.22 -1.08 1.08 -0.06 -2.50 0.00 0.00 175.30 172.95 2ctm s PHE 52 N 2.32 2.86 -0.16 5.12 0.08 -1.26 -1.59 117.98 125.34 2ctm s PHE 52 Ca 0.13 1.56 -0.29 0.00 0.12 0.00 0.00 56.93 58.44 2ctm s PHE 52 Cb -0.19 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.07 2ctm s PHE 52 CO 0.12 -1.16 1.57 -1.25 -0.10 0.00 0.00 175.22 174.39 2ctm s PRO 53 N -3.34 3.97 0.91 0.24 0.04 -1.25 -4.95 135.00 130.63 2ctm s PRO 53 Ca 0.69 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 2ctm s PRO 53 Cb -0.19 -3.98 0.20 0.00 0.04 0.00 0.00 34.50 30.57 2ctm s PRO 53 CO 0.24 -1.07 0.45 0.00 0.04 0.00 0.00 177.00 176.66 2ctm n GLN 54 N 7.35 -2.15 -0.03 4.56 10.64 -1.26 -4.77 117.38 131.71 2ctm n GLN 54 Ca 0.18 -0.76 -0.12 0.00 -1.83 0.00 0.00 57.00 54.47 2ctm n GLN 54 Cb 0.44 -1.27 -0.06 0.00 -0.86 0.00 0.00 30.24 28.49 2ctm n GLN 54 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2ctm h SER 55 N -2.80 0.20 -0.23 2.61 0.02 -2.02 -2.77 113.55 108.57 2ctm h SER 55 Ca -0.21 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2ctm h SER 55 Cb 0.70 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2ctm h SER 55 CO 0.12 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 2ctm n GLY 56 N -0.40 1.96 3.77 -3.77 0.00 -1.26 -4.93 105.19 100.56 2ctm n GLY 56 Ca -0.06 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2ctm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm s ALA 57 N -1.68 2.78 0.32 4.61 0.00 -1.05 -4.94 121.76 121.81 2ctm s ALA 57 Ca 0.21 0.90 0.12 0.00 0.00 0.00 0.00 51.96 53.19 2ctm s ALA 57 Cb 0.16 -3.38 0.56 0.00 0.00 0.00 0.00 23.12 20.45 2ctm s ALA 57 CO 0.07 -0.79 1.73 -1.00 0.00 0.00 0.00 175.76 175.76 2ctm h PRO 58 N 1.47 0.00 -2.90 0.00 0.13 -1.91 -3.38 132.00 125.41 2ctm h PRO 58 Ca -0.50 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 2ctm h PRO 58 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2ctm h PRO 58 CO 0.58 0.48 -0.76 0.16 -0.23 0.00 0.00 178.00 178.23 2ctm s ASP 59 N -6.88 3.49 0.00 1.44 1.47 -1.26 -4.96 116.67 109.98 2ctm s ASP 59 Ca -0.02 -2.55 0.15 0.00 1.18 0.00 0.00 52.55 51.31 2ctm s ASP 59 Cb 0.14 -0.90 0.88 0.00 -0.34 0.00 0.00 42.92 42.70 2ctm s ASP 59 CO 0.74 -0.27 1.30 -0.81 0.68 0.00 0.00 175.17 176.81 2ctm n PRO 60 N 3.63 0.49 -0.07 2.11 -0.04 -1.26 -1.87 135.00 137.99 2ctm n PRO 60 Ca 0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2ctm n PRO 60 Cb 0.35 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2ctm n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ctm n ASN 61 N -0.97 2.33 -4.12 3.54 3.02 -1.26 -4.24 115.26 113.56 2ctm n ASN 61 Ca 0.11 -2.44 -0.24 0.00 -0.03 0.00 0.00 54.58 51.99 2ctm n ASN 61 Cb 0.05 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctm s VAL 63 N -0.23 2.12 -0.53 0.00 -7.23 -0.07 -3.79 120.40 110.67 2ctm s VAL 63 Ca 0.03 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 2ctm s VAL 63 Cb -0.07 -1.86 0.13 0.00 0.56 0.00 0.00 36.38 35.14 2ctm s VAL 63 CO 0.00 0.18 0.48 -0.89 -0.31 0.00 0.00 175.10 174.56 2ctm s THR 64 N -0.96 5.04 -0.25 5.32 2.01 -0.62 -0.96 115.64 125.23 2ctm s THR 64 Ca 0.12 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.35 2ctm s THR 64 Cb -0.10 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2ctm s THR 64 CO 0.04 -0.86 0.61 -0.69 -0.69 0.00 0.00 174.62 173.03 2ctm s VAL 65 N 1.53 5.00 0.22 3.82 1.01 -0.46 -1.60 120.40 129.92 2ctm s VAL 65 Ca 0.04 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2ctm s VAL 65 Cb -0.29 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2ctm s VAL 65 CO 0.02 0.04 0.37 -0.89 0.00 0.00 0.00 175.10 174.64 2ctm s THR 66 N 2.44 5.25 0.00 3.92 2.01 -0.83 -1.23 115.64 127.19 2ctm s THR 66 Ca 0.25 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2ctm s THR 66 Cb -0.16 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2ctm s THR 66 CO 0.09 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 2ctm n GLY 67 N -1.08 2.85 3.51 4.40 0.00 -0.50 -2.72 105.19 111.65 2ctm n GLY 67 Ca -0.07 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2ctm n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ctm n LEU 68 N 0.00 1.43 0.06 0.99 7.99 -1.26 -0.34 117.00 125.86 2ctm n LEU 68 Ca 0.00 0.51 0.09 0.00 -0.01 0.00 0.00 56.01 56.60 2ctm n LEU 68 Cb 0.00 -1.29 0.38 0.00 -0.11 0.00 0.00 43.42 42.41 2ctm n LEU 68 CO 0.00 -2.91 0.78 -0.81 -1.51 0.00 0.00 177.39 172.94 2ctm n PRO 69 N -1.64 0.08 -0.03 3.23 -0.04 -1.26 -1.02 135.00 134.33 2ctm n PRO 69 Ca 0.10 0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2ctm n PRO 69 Cb 0.51 -1.66 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2ctm n PRO 69 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2ctm n GLU 70 N -1.82 0.67 0.06 0.54 0.28 -1.26 -3.72 120.64 115.40 2ctm n GLU 70 Ca 0.03 0.25 -0.23 0.00 -0.16 0.00 0.00 57.16 57.05 2ctm n GLU 70 Cb 0.19 -1.73 -0.15 0.00 1.43 0.00 0.00 31.44 31.18 2ctm n GLU 70 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2ctm h ASN 71 N 0.02 0.59 0.27 -1.84 2.35 -1.83 -3.34 115.58 111.80 2ctm h ASN 71 Ca -0.36 -0.94 -0.00 0.00 -0.55 0.00 0.00 56.30 54.45 2ctm h ASN 71 Cb 2.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.20 2ctm h ASN 71 CO 0.07 1.80 -0.23 0.58 -1.65 0.00 0.00 177.43 178.00 2ctm h VAL 72 N 0.09 0.51 -0.77 2.81 2.07 -1.27 -1.06 116.25 118.63 2ctm h VAL 72 Ca -0.36 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.34 2ctm h VAL 72 Cb 2.08 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 32.24 2ctm h VAL 72 CO 0.16 0.00 0.11 1.05 0.02 0.00 0.00 177.57 178.91 2ctm h GLU 73 N -0.51 0.18 -0.60 1.57 4.11 -1.74 0.27 114.58 117.85 2ctm h GLU 73 Ca -0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 2ctm h GLU 73 Cb 0.46 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2ctm h GLU 73 CO -0.03 0.12 0.09 0.93 0.07 0.00 0.00 179.01 180.19 2ctm h GLU 74 N 0.18 0.98 -0.12 1.06 5.08 -1.59 -3.03 114.58 117.15 2ctm h GLU 74 Ca 0.44 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ctm h GLU 74 Cb 0.79 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2ctm h GLU 74 CO -0.60 0.91 0.06 0.00 -1.00 0.00 0.00 179.01 178.38 2ctm h ALA 75 N 1.17 0.15 -0.18 3.43 0.00 0.76 -3.12 119.26 121.47 2ctm h ALA 75 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2ctm h ALA 75 Cb 0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2ctm h ALA 75 CO 0.01 -0.31 -0.48 0.82 0.00 0.00 0.00 179.25 179.30 2ctm h ILE 76 N 0.08 0.07 -0.94 0.00 2.04 -0.92 -0.30 117.51 117.55 2ctm h ILE 76 Ca 0.04 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.18 2ctm h ILE 76 Cb 0.09 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 36.08 2ctm h ILE 76 CO -0.01 0.00 0.21 -0.78 0.00 0.00 0.00 178.15 177.57 2ctm h ASP 77 N -0.51 -0.13 -0.31 1.72 3.58 -1.50 0.45 116.42 119.73 2ctm h ASP 77 Ca 0.07 0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.70 2ctm h ASP 77 Cb 0.65 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2ctm h ASP 77 CO -0.44 -0.28 -0.03 -0.74 -2.88 0.00 0.00 179.24 174.87 2ctm h HIS 78 N 0.10 0.63 0.56 0.28 2.76 -1.08 -1.99 115.15 116.41 2ctm h HIS 78 Ca 0.62 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.65 2ctm h HIS 78 Cb 1.34 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 2ctm h HIS 78 CO -0.31 0.72 -0.48 0.82 -1.30 0.00 0.00 177.93 177.38 2ctm h ILE 79 N 0.35 0.00 -0.94 6.26 2.04 0.14 -1.85 117.51 123.51 2ctm h ILE 79 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2ctm h ILE 79 Cb 0.50 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.50 2ctm h ILE 79 CO 0.02 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.70 2ctm h LEU 80 N -1.02 0.78 -0.22 1.44 3.38 -1.18 -1.57 115.31 116.92 2ctm h LEU 80 Ca -0.07 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2ctm h LEU 80 Cb 0.86 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2ctm h LEU 80 CO -0.02 0.40 -0.06 -1.13 0.09 0.00 0.00 178.44 177.73 2ctm h ASN 81 N 0.83 -0.21 -0.17 -0.43 -1.24 -0.88 -1.73 115.58 111.76 2ctm h ASN 81 Ca 0.47 0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.49 2ctm h ASN 81 Cb 0.61 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 2ctm h ASN 81 CO -0.24 -0.08 -0.06 -0.07 -1.29 0.00 0.00 177.43 175.69 2ctm h LEU 82 N -0.00 0.46 -0.01 0.34 3.38 -0.51 -2.73 115.31 116.24 2ctm h LEU 82 Ca 0.11 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ctm h LEU 82 Cb 0.16 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2ctm h LEU 82 CO -0.23 0.57 -0.44 -0.08 0.09 0.00 0.00 178.44 178.35 2ctm h GLU 83 N 0.46 -0.57 -0.64 1.13 4.81 -0.45 0.16 114.58 119.47 2ctm h GLU 83 Ca 0.09 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2ctm h GLU 83 Cb 0.40 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2ctm h GLU 83 CO 0.02 -0.38 0.28 1.49 -0.73 0.00 0.00 179.01 179.69 2ctm h GLU 84 N -0.59 0.92 -0.30 1.92 4.81 -1.44 0.35 114.58 120.25 2ctm h GLU 84 Ca 0.04 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2ctm h GLU 84 Cb 0.67 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2ctm h GLU 84 CO -0.33 0.73 0.17 1.49 -0.73 0.00 0.00 179.01 180.34 2ctm h GLU 85 N 0.91 0.34 -0.08 1.92 4.81 -0.99 -2.10 114.58 119.39 2ctm h GLU 85 Ca 0.22 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2ctm h GLU 85 Cb 0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2ctm h GLU 85 CO -0.02 0.23 -0.16 1.88 -0.73 0.00 0.00 179.01 180.20 2ctm h TYR 86 N 0.35 0.32 -0.89 0.92 0.05 -0.43 -3.22 116.97 114.07 2ctm h TYR 86 Ca 0.12 -0.12 0.23 0.00 0.05 0.00 0.00 58.73 59.01 2ctm h TYR 86 Cb 0.00 -0.06 -0.13 0.00 1.01 0.00 0.00 36.73 37.56 2ctm h TYR 86 CO -0.08 0.76 0.35 -0.07 -1.05 0.00 0.00 178.16 178.08 2ctm h LEU 87 N -0.22 0.24 -1.93 3.88 3.38 -0.82 0.28 115.31 120.11 2ctm h LEU 87 Ca 0.00 0.17 0.51 0.00 0.09 0.00 0.00 57.88 58.65 2ctm h LEU 87 Cb 0.75 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2ctm h LEU 87 CO 0.04 -0.05 1.24 0.00 0.09 0.00 0.00 178.44 179.76 2ctm h ALA 88 N 1.73 3.59 -0.65 1.53 0.00 -1.38 0.67 119.26 124.75 2ctm h ALA 88 Ca 0.56 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.82 2ctm h ALA 88 Cb 1.09 0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 2ctm h ALA 88 CO -0.56 -2.12 1.04 -3.47 0.00 0.00 0.00 179.25 174.14 2ctm n ASP 89 N -4.07 7.05 -0.26 0.00 2.03 0.97 -4.72 116.55 117.55 2ctm n ASP 89 Ca 0.40 -3.28 0.07 0.00 0.52 0.00 0.00 54.79 52.50 2ctm n ASP 89 Cb 1.79 -1.25 0.21 0.00 -0.72 0.00 0.00 41.12 41.15 2ctm n ASP 89 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2ctm h SER 90 N 3.50 0.13 -1.31 1.67 0.87 -1.06 -3.44 113.55 113.90 2ctm h SER 90 Ca 0.50 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 2ctm h SER 90 Cb 0.52 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2ctm h SER 90 CO 1.11 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 2ctm n GLY 91 N -1.35 5.23 0.16 5.77 0.00 -1.26 -5.02 105.19 108.72 2ctm n GLY 91 Ca 0.16 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.55 2ctm n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctm h PRO 92 N 0.00 0.00 -6.72 1.61 0.13 -2.00 -3.44 132.00 121.58 2ctm h PRO 92 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2ctm h PRO 92 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2ctm h PRO 92 CO 0.00 0.00 0.07 0.45 -0.23 0.00 0.00 178.00 178.29 2ctm s SER 93 N -4.49 6.67 -0.03 1.44 0.15 -1.26 -5.09 113.70 111.09 2ctm s SER 93 Ca 0.04 1.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 2ctm s SER 93 Cb 0.09 -2.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2ctm s SER 93 CO 0.42 -0.25 0.07 -0.94 1.20 0.00 0.00 173.24 173.74 2ctm s SER 94 N -2.57 -0.01 0.00 5.45 1.04 -1.26 -4.75 113.70 111.60 2ctm s SER 94 Ca 0.52 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2ctm s SER 94 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2ctm s SER 94 CO 0.22 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.95