#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctm n SER 2 N 0.00 1.78 -3.81 1.61 2.88 -1.26 -4.99 113.62 109.83 2ctm n SER 2 Ca 0.00 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.49 2ctm n SER 2 Cb 0.00 -1.33 -0.17 0.00 -0.75 0.00 0.00 64.21 61.96 2ctm n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ctm s SER 3 N -0.31 1.48 0.00 -3.46 0.01 -1.26 -5.06 113.70 105.11 2ctm s SER 3 Ca 0.62 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2ctm s SER 3 Cb -0.69 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2ctm s SER 3 CO 0.58 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2ctm n GLY 4 N 4.87 2.60 2.93 3.44 0.00 -1.26 -5.09 105.19 112.67 2ctm n GLY 4 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2ctm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctm s SER 5 N 0.00 4.96 1.04 1.61 1.04 -1.26 -5.10 113.70 116.00 2ctm s SER 5 Ca 0.00 -3.83 -0.13 0.00 0.48 0.00 0.00 55.95 52.47 2ctm s SER 5 Cb 0.00 -1.67 0.17 0.00 0.10 0.00 0.00 66.02 64.62 2ctm s SER 5 CO 0.00 -0.10 0.80 -1.54 0.98 0.00 0.00 173.24 173.38 2ctm n SER 6 N 2.02 -1.19 -4.13 7.02 3.41 -1.26 -5.04 113.62 114.46 2ctm n SER 6 Ca 0.20 0.13 -0.16 0.00 -0.26 0.00 0.00 58.87 58.78 2ctm n SER 6 Cb 0.35 -1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 62.90 2ctm n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctm s GLY 7 N -2.33 0.73 1.00 5.00 0.00 -1.26 -5.15 107.32 105.31 2ctm s GLY 7 Ca 0.64 -0.92 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2ctm s GLY 7 CO 0.63 -0.95 1.08 0.50 0.00 0.00 0.00 173.10 174.36 2ctm s ARG 8 N -1.71 0.38 0.25 2.90 1.81 -1.26 -5.06 118.95 116.26 2ctm s ARG 8 Ca -0.05 0.91 -0.05 0.00 -1.72 0.00 0.00 55.73 54.82 2ctm s ARG 8 Cb -0.10 -1.70 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 2ctm s ARG 8 CO 0.01 -2.87 0.42 0.44 -0.68 0.00 0.00 175.30 172.62 2ctm n ILE 9 N -4.33 0.00 0.00 1.52 -6.64 -1.26 -5.10 119.36 103.56 2ctm n ILE 9 Ca 0.06 -1.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.01 2ctm n ILE 9 Cb 0.55 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 39.48 2ctm n ILE 9 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 2ctm n VAL 10 N -0.39 0.00 -0.16 7.28 0.31 -1.26 -5.01 118.33 119.10 2ctm n VAL 10 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2ctm n VAL 10 Cb 0.41 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 2.63 -3.53 3.90 2.92 0.00 -1.26 -4.79 105.19 105.06 2ctm n GLY 11 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.84 3.60 0.14 1.61 0.41 -1.26 -5.01 118.70 117.35 2ctm s GLU 12 Ca 0.00 -0.12 -0.19 0.00 -0.41 0.00 0.00 54.97 54.24 2ctm s GLU 12 Cb 0.00 -2.85 0.02 0.00 -1.78 0.00 0.00 34.13 29.52 2ctm s GLU 12 CO 0.00 0.46 1.68 -0.07 -0.49 0.00 0.00 175.26 176.84 2ctm h LEU 13 N 2.73 -0.34 -1.06 1.80 4.07 -1.96 -1.36 115.31 119.19 2ctm h LEU 13 Ca -0.46 0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.54 2ctm h LEU 13 Cb 1.17 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.08 2ctm h LEU 13 CO 0.72 -0.13 0.08 -0.33 -1.08 0.00 0.00 178.44 177.71 2ctm h GLU 14 N -0.05 0.75 -0.82 1.13 3.07 -2.03 -2.73 114.58 113.91 2ctm h GLU 14 Ca 0.13 -0.16 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 2ctm h GLU 14 Cb 0.25 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 2ctm h GLU 14 CO -0.30 0.71 0.51 1.96 -1.40 0.00 0.00 179.01 180.49 2ctm h GLN 15 N 0.72 0.94 -6.57 2.33 1.08 -1.68 -3.43 115.11 108.50 2ctm h GLN 15 Ca 0.16 -0.06 -0.54 0.00 -1.45 0.00 0.00 58.65 56.76 2ctm h GLN 15 Cb 0.32 -0.21 0.22 0.00 -0.05 0.00 0.00 27.48 27.76 2ctm h GLN 15 CO 0.00 0.62 -0.92 -1.33 -0.95 0.00 0.00 178.83 176.26 2ctm n MET 16 N -4.62 -0.20 -3.90 1.46 2.81 -0.70 -4.78 117.12 107.20 2ctm n MET 16 Ca 0.11 -0.03 -0.16 0.00 -1.81 0.00 0.00 57.70 55.81 2ctm n MET 16 Cb 0.13 -1.63 -0.16 0.00 -0.71 0.00 0.00 33.22 30.86 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 -2.28 0.11 -0.16 2.03 -7.23 0.79 -4.87 120.40 108.79 2ctm s VAL 17 Ca 0.52 0.09 -0.24 0.00 -1.81 0.00 0.00 61.98 60.54 2ctm s VAL 17 Cb -0.21 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.51 2ctm s VAL 17 CO 0.71 0.11 0.77 -0.94 -0.31 0.00 0.00 175.10 175.44 2ctm s SER 18 N 0.85 6.90 0.20 4.85 1.04 -1.26 -3.15 113.70 123.12 2ctm s SER 18 Ca -0.08 1.10 0.08 0.00 0.48 0.00 0.00 55.95 57.53 2ctm s SER 18 Cb -0.11 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 2ctm s SER 18 CO -0.02 -0.33 -0.15 -1.61 0.98 0.00 0.00 173.24 172.11 2ctm s GLU 19 N 1.89 1.32 -0.10 4.02 0.41 -0.37 -4.99 118.70 120.87 2ctm s GLU 19 Ca 0.36 -1.55 -0.01 0.00 -0.41 0.00 0.00 54.97 53.35 2ctm s GLU 19 Cb -0.17 -1.15 -0.03 0.00 -1.78 0.00 0.00 34.13 31.00 2ctm s GLU 19 CO 0.13 0.20 -0.04 0.16 -0.49 0.00 0.00 175.26 175.22 2ctm s ASP 20 N -3.20 4.83 -0.14 -0.19 -4.77 -1.26 -0.99 116.67 110.95 2ctm s ASP 20 Ca 0.21 -0.02 -0.00 0.00 -3.30 0.00 0.00 52.55 49.44 2ctm s ASP 20 Cb -0.02 -1.46 0.03 0.00 -1.09 0.00 0.00 42.92 40.38 2ctm s ASP 20 CO 0.07 0.30 -0.10 -0.69 0.70 0.00 0.00 175.17 175.44 2ctm s VAL 21 N -0.41 1.29 -0.56 2.11 1.01 0.06 -4.97 120.40 118.93 2ctm s VAL 21 Ca 0.07 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2ctm s VAL 21 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2ctm s VAL 21 CO 0.02 0.37 1.83 -2.16 0.00 0.00 0.00 175.10 175.17 2ctm s PRO 22 N 1.59 2.78 -0.14 2.72 0.04 -1.26 -1.27 135.00 139.45 2ctm s PRO 22 Ca 0.04 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.86 2ctm s PRO 22 Cb -0.13 -4.34 0.01 0.00 0.04 0.00 0.00 34.50 30.08 2ctm s PRO 22 CO -0.09 -2.54 -0.21 -1.17 0.04 0.00 0.00 177.00 173.02 2ctm s LEU 23 N 8.57 2.13 0.08 -3.56 2.96 0.15 -4.98 118.68 124.04 2ctm s LEU 23 Ca 0.69 -0.60 -0.33 0.00 -0.22 0.00 0.00 54.13 53.67 2ctm s LEU 23 Cb -0.14 -1.45 -0.12 0.00 0.50 0.00 0.00 46.19 44.97 2ctm s LEU 23 CO 0.23 0.07 1.77 -0.67 -1.32 0.00 0.00 176.35 176.44 2ctm n ASP 24 N 4.12 3.61 0.21 3.68 -0.08 -1.26 -4.00 116.55 122.83 2ctm n ASP 24 Ca -0.20 1.01 0.14 0.00 -1.51 0.00 0.00 54.79 54.23 2ctm n ASP 24 Cb 0.51 -1.47 0.74 0.00 2.34 0.00 0.00 41.12 43.25 2ctm n ASP 24 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2ctm h HIS 25 N 7.92 0.00 0.00 -0.67 2.07 -1.82 -0.56 115.15 122.09 2ctm h HIS 25 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2ctm h HIS 25 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2ctm h HIS 25 CO 0.76 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.62 2ctm h ARG 26 N 0.00 0.00 -0.00 5.12 2.47 -1.94 -2.90 114.38 117.13 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ctm h ARG 26 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2ctm h ARG 26 CO 0.00 0.00 -0.10 1.33 0.56 0.00 0.00 179.97 181.76 2ctm n VAL 27 N -2.79 0.00 -0.04 2.04 0.24 -0.26 -4.73 118.33 112.79 2ctm n VAL 27 Ca 0.01 -0.45 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 2ctm n VAL 27 Cb 0.25 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.03 -0.37 -0.19 6.34 3.86 -1.23 -0.54 115.15 123.07 2ctm h HIS 28 Ca 0.00 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2ctm h HIS 28 Cb 0.06 0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 2ctm h HIS 28 CO 0.00 -0.10 -0.22 0.00 0.86 0.00 0.00 177.93 178.47 2ctm h ALA 29 N -0.98 -0.14 -0.95 2.45 0.00 -1.87 0.17 119.26 117.94 2ctm h ALA 29 Ca 0.02 0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.27 2ctm h ALA 29 Cb 0.12 0.45 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 2ctm h ALA 29 CO -0.14 -0.66 0.17 0.00 0.00 0.00 0.00 179.25 178.62 2ctm h ARG 30 N -0.25 0.06 0.09 0.00 2.47 -1.71 -0.09 114.38 114.94 2ctm h ARG 30 Ca 0.12 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2ctm h ARG 30 Cb 0.43 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2ctm h ARG 30 CO -0.33 0.04 -0.04 0.82 0.56 0.00 0.00 179.97 181.02 2ctm h ILE 31 N 0.07 1.10 -0.88 2.04 2.04 -0.09 -3.32 117.51 118.46 2ctm h ILE 31 Ca 0.62 -1.41 0.15 0.00 1.00 0.00 0.00 64.86 65.23 2ctm h ILE 31 Cb 1.36 1.90 -0.16 0.00 -0.74 0.00 0.00 36.82 39.18 2ctm h ILE 31 CO -0.82 0.31 -0.32 0.40 0.00 0.00 0.00 178.15 177.72 2ctm h ILE 32 N -0.84 0.07 0.00 -0.67 2.04 0.67 -3.26 117.51 115.51 2ctm h ILE 32 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ctm h ILE 32 Cb 0.59 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2ctm h ILE 32 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 2ctm n GLY 33 N -1.51 -0.18 0.39 5.37 0.00 -0.22 -2.93 105.19 106.13 2ctm n GLY 33 Ca 0.10 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 1.53 -0.60 0.21 4.61 0.00 -1.26 0.95 120.51 125.95 2ctm n ALA 34 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 53.44 54.33 2ctm n ALA 34 Cb 0.00 -0.12 0.38 0.00 0.00 0.00 0.00 19.45 19.71 2ctm n ALA 34 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2ctm h ARG 35 N 0.00 0.00 0.00 0.00 9.65 -2.00 -3.47 114.38 118.56 2ctm h ARG 35 Ca 0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2ctm h ARG 35 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2ctm h ARG 35 CO -0.88 0.24 0.00 0.41 2.80 0.00 0.00 179.97 182.54 2ctm n GLY 36 N 0.38 0.86 0.09 2.80 0.00 0.27 -4.97 105.19 104.61 2ctm n GLY 36 Ca 0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 2ctm n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ctm n LYS 37 N -1.91 0.65 -0.07 1.61 3.00 -1.25 -3.65 118.16 116.54 2ctm n LYS 37 Ca 0.00 0.21 0.09 0.00 -0.00 0.00 0.00 58.31 58.61 2ctm n LYS 37 Cb 0.11 -1.72 0.46 0.00 0.00 0.00 0.00 35.03 33.88 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ctm h ALA 38 N 0.98 1.89 0.00 3.14 0.00 -1.77 -0.79 119.26 122.71 2ctm h ALA 38 Ca -0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2ctm h ALA 38 Cb 2.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2ctm h ALA 38 CO 0.06 0.01 -0.89 0.97 0.00 0.00 0.00 179.25 179.41 2ctm h ILE 39 N 0.49 0.39 -0.03 0.00 6.09 -1.57 -3.34 117.51 119.52 2ctm h ILE 39 Ca 0.25 -1.65 -0.01 0.00 -1.37 0.00 0.00 64.86 62.08 2ctm h ILE 39 Cb 0.34 1.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.61 2ctm h ILE 39 CO -0.07 0.22 -0.01 -0.09 -3.07 0.00 0.00 178.15 175.13 2ctm h ARG 40 N 0.00 0.07 -0.86 2.19 9.65 -1.24 -2.56 114.38 121.63 2ctm h ARG 40 Ca -0.06 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.93 2ctm h ARG 40 Cb 1.30 -0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.79 2ctm h ARG 40 CO 0.03 0.44 0.47 1.57 2.80 0.00 0.00 179.97 185.28 2ctm h LYS 41 N -0.31 0.68 -0.09 0.20 2.10 -1.51 -1.18 116.57 116.45 2ctm h LYS 41 Ca 0.01 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2ctm h LYS 41 Cb 0.42 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2ctm h LYS 41 CO 0.00 0.45 0.04 0.82 -2.00 0.00 0.00 179.45 178.77 2ctm h ILE 42 N 0.70 1.12 -0.37 0.07 2.04 -1.67 0.11 117.51 119.51 2ctm h ILE 42 Ca 0.45 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 66.02 2ctm h ILE 42 Cb 0.58 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 2ctm h ILE 42 CO -0.33 0.10 0.07 0.24 0.00 0.00 0.00 178.15 178.24 2ctm h MET 43 N 0.02 0.18 -0.29 2.37 2.86 -0.91 -1.68 114.93 117.48 2ctm h MET 43 Ca 0.03 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2ctm h MET 43 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2ctm h MET 43 CO -0.00 0.12 -0.22 -0.44 1.06 0.00 0.00 176.91 177.43 2ctm h ASP 44 N 0.19 0.53 0.19 1.22 3.32 -1.13 0.70 116.42 121.44 2ctm h ASP 44 Ca 0.18 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2ctm h ASP 44 Cb 0.21 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2ctm h ASP 44 CO -0.24 0.75 -0.47 -0.08 -1.72 0.00 0.00 179.24 177.49 2ctm h GLU 45 N 0.48 -0.72 -0.56 3.56 4.57 0.15 -2.39 114.58 119.67 2ctm h GLU 45 Ca 0.07 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2ctm h GLU 45 Cb 0.64 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2ctm h GLU 45 CO 0.05 -0.48 0.00 1.19 -1.18 0.00 0.00 179.01 178.58 2ctm n PHE 46 N -5.49 0.74 -3.86 0.92 3.72 -0.99 -4.94 117.46 107.56 2ctm n PHE 46 Ca -0.08 -0.37 -0.28 0.00 -0.05 0.00 0.00 57.45 56.67 2ctm n PHE 46 Cb 0.41 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.97 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 -5.44 -4.19 -1.08 4.76 0.19 -4.82 118.16 108.90 2ctm n LYS 47 Ca 0.21 0.61 -0.27 0.00 -2.87 0.00 0.00 58.31 55.98 2ctm n LYS 47 Cb 0.54 -5.42 -0.05 0.00 -1.84 0.00 0.00 35.03 28.27 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 -3.40 1.74 -0.36 -0.18 -7.23 0.17 -4.87 120.40 106.27 2ctm s VAL 48 Ca 0.50 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2ctm s VAL 48 Cb -0.25 -2.43 0.11 0.00 0.56 0.00 0.00 36.38 34.37 2ctm s VAL 48 CO 0.82 0.00 0.12 -0.62 -0.31 0.00 0.00 175.10 175.11 2ctm s ASP 49 N -4.06 4.27 0.01 4.85 2.15 -0.54 -4.51 116.67 118.84 2ctm s ASP 49 Ca 0.29 -2.10 -0.27 0.00 0.43 0.00 0.00 52.55 50.89 2ctm s ASP 49 Cb 0.01 -1.24 -0.04 0.00 -0.30 0.00 0.00 42.92 41.35 2ctm s ASP 49 CO 0.17 -0.36 0.87 -0.63 -0.17 0.00 0.00 175.17 175.04 2ctm s ILE 50 N 0.99 4.84 -0.14 4.11 1.01 -1.26 -1.12 121.20 129.62 2ctm s ILE 50 Ca 0.12 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.61 2ctm s ILE 50 Cb -0.20 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.08 2ctm s ILE 50 CO -0.13 0.24 -0.16 -0.60 0.00 0.00 0.00 174.94 174.30 2ctm s ARG 51 N 0.63 2.41 0.36 2.79 6.06 -0.05 -4.98 118.95 126.17 2ctm s ARG 51 Ca 0.45 -0.61 -0.08 0.00 -2.50 0.00 0.00 55.73 52.99 2ctm s ARG 51 Cb -0.20 -2.13 -0.06 0.00 0.06 0.00 0.00 34.95 32.62 2ctm s ARG 51 CO 0.25 -0.18 0.69 -0.06 -2.50 0.00 0.00 175.30 173.50 2ctm s PHE 52 N 1.30 3.47 -0.18 5.12 0.08 -1.26 -0.71 117.98 125.80 2ctm s PHE 52 Ca 0.01 0.90 -0.29 0.00 0.12 0.00 0.00 56.93 57.67 2ctm s PHE 52 Cb -0.14 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2ctm s PHE 52 CO -0.08 -0.00 1.57 -1.25 -0.10 0.00 0.00 175.22 175.36 2ctm s PRO 53 N -3.74 3.94 1.12 0.24 0.04 -1.25 -4.95 135.00 130.41 2ctm s PRO 53 Ca 0.49 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 63.11 2ctm s PRO 53 Cb -0.10 -3.99 0.26 0.00 0.04 0.00 0.00 34.50 30.71 2ctm s PRO 53 CO 0.31 -1.11 1.22 -0.65 0.04 0.00 0.00 177.00 176.80 2ctm s GLN 54 N 4.37 -0.62 0.47 4.56 -1.52 -1.26 -4.80 119.66 120.87 2ctm s GLN 54 Ca 0.69 -0.31 0.32 0.00 -1.95 0.00 0.00 55.36 54.11 2ctm s GLN 54 Cb -0.26 -1.69 1.72 0.00 -0.22 0.00 0.00 33.01 32.56 2ctm s GLN 54 CO 0.27 -3.27 1.98 0.77 -0.25 0.00 0.00 175.29 174.79 2ctm h SER 55 N -2.26 0.00 -0.31 5.90 0.02 -2.03 0.13 113.55 115.01 2ctm h SER 55 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2ctm h SER 55 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2ctm h SER 55 CO 0.32 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 2ctm n GLY 56 N -1.17 3.72 3.82 -3.77 0.00 -1.26 -5.00 105.19 101.53 2ctm n GLY 56 Ca -0.02 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.50 3.50 0.19 4.61 0.00 0.03 -4.99 121.76 122.60 2ctm s ALA 57 Ca 0.40 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2ctm s ALA 57 Cb 0.31 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.83 2ctm s ALA 57 CO 0.11 0.38 1.54 -1.00 0.00 0.00 0.00 175.76 176.78 2ctm h PRO 58 N 3.71 0.71 -3.74 0.00 0.13 -1.94 -3.38 132.00 127.48 2ctm h PRO 58 Ca -0.48 -0.38 -0.68 0.00 -0.87 0.00 0.00 66.00 63.59 2ctm h PRO 58 Cb 1.20 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 31.97 2ctm h PRO 58 CO 0.65 0.99 -0.48 -0.51 -0.23 0.00 0.00 178.00 178.42 2ctm s ASP 59 N -6.86 4.97 0.00 1.44 1.01 -1.26 -4.92 116.67 111.04 2ctm s ASP 59 Ca -0.09 -2.74 0.15 0.00 0.71 0.00 0.00 52.55 50.59 2ctm s ASP 59 Cb 0.12 -1.78 0.81 0.00 1.01 0.00 0.00 42.92 43.07 2ctm s ASP 59 CO 0.85 -0.36 1.38 -0.81 0.21 0.00 0.00 175.17 176.44 2ctm n PRO 60 N 3.59 0.30 -0.08 8.23 -0.04 -1.26 -1.93 135.00 143.81 2ctm n PRO 60 Ca 0.05 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2ctm n PRO 60 Cb 0.37 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2ctm n PRO 60 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ctm n ASN 61 N -1.19 2.36 -4.18 3.54 0.23 -1.26 -4.48 115.26 110.27 2ctm n ASN 61 Ca 0.09 -2.43 -0.22 0.00 -0.53 0.00 0.00 54.58 51.49 2ctm n ASN 61 Cb 0.10 -0.21 -0.14 0.00 -2.08 0.00 0.00 39.78 37.46 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctm s VAL 63 N -0.84 2.35 -0.31 0.00 -7.23 -0.40 -3.83 120.40 110.14 2ctm s VAL 63 Ca 0.04 -2.17 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2ctm s VAL 63 Cb -0.08 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.75 2ctm s VAL 63 CO 0.01 -0.25 0.01 -0.89 -0.31 0.00 0.00 175.10 173.67 2ctm s THR 64 N -2.04 2.87 -0.04 5.32 2.01 0.11 -0.76 115.64 123.11 2ctm s THR 64 Ca 0.24 -1.53 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 2ctm s THR 64 Cb -0.06 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 2ctm s THR 64 CO 0.11 -0.17 0.35 -0.69 -0.69 0.00 0.00 174.62 173.53 2ctm s VAL 65 N 1.20 5.15 0.07 3.82 1.01 -0.17 -0.87 120.40 130.61 2ctm s VAL 65 Ca -0.04 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2ctm s VAL 65 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2ctm s VAL 65 CO -0.02 0.57 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 2ctm s THR 66 N -0.92 2.91 0.00 3.92 2.01 -0.28 -1.24 115.64 122.05 2ctm s THR 66 Ca 0.22 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2ctm s THR 66 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2ctm s THR 66 CO 0.11 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2ctm n GLY 67 N 1.25 2.07 3.58 4.40 0.00 -1.19 -1.47 105.19 113.82 2ctm n GLY 67 Ca -0.16 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 2.78 0.08 0.99 7.99 -1.26 -0.15 117.00 127.44 2ctm n LEU 68 Ca 0.00 0.62 0.10 0.00 -0.01 0.00 0.00 56.01 56.73 2ctm n LEU 68 Cb 0.00 -1.36 0.42 0.00 -0.11 0.00 0.00 43.42 42.37 2ctm n LEU 68 CO 0.00 -2.33 0.81 -0.81 -1.51 0.00 0.00 177.39 173.54 2ctm n PRO 69 N -1.73 0.12 -0.01 3.23 -0.04 -1.26 -0.86 135.00 134.46 2ctm n PRO 69 Ca 0.12 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2ctm n PRO 69 Cb 0.50 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 2ctm n PRO 69 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2ctm h GLU 70 N 0.00 0.04 0.09 0.54 4.11 -2.00 -3.30 114.58 114.07 2ctm h GLU 70 Ca 0.00 -0.07 -0.32 0.00 0.07 0.00 0.00 59.36 59.04 2ctm h GLU 70 Cb 0.32 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2ctm h GLU 70 CO 0.00 0.63 -1.73 -0.91 0.07 0.00 0.00 179.01 177.07 2ctm h ASN 71 N 0.01 0.31 -0.28 3.06 2.35 -1.84 -3.35 115.58 115.85 2ctm h ASN 71 Ca -0.29 -0.82 0.05 0.00 -0.55 0.00 0.00 56.30 54.69 2ctm h ASN 71 Cb 2.01 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 40.22 2ctm h ASN 71 CO 0.09 1.73 -0.06 0.58 -1.65 0.00 0.00 177.43 178.12 2ctm h VAL 72 N -0.26 0.74 -0.91 2.81 2.07 -1.20 -0.79 116.25 118.72 2ctm h VAL 72 Ca -0.39 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.28 2ctm h VAL 72 Cb 1.81 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 32.21 2ctm h VAL 72 CO 0.01 0.00 0.51 1.05 0.02 0.00 0.00 177.57 179.16 2ctm h GLU 73 N 0.02 0.69 -0.04 1.57 4.11 -1.75 -1.08 114.58 118.10 2ctm h GLU 73 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 2ctm h GLU 73 Cb 0.20 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2ctm h GLU 73 CO -0.27 0.46 -0.00 0.93 0.07 0.00 0.00 179.01 180.19 2ctm h GLU 74 N 0.71 0.07 -0.16 1.06 4.39 -1.44 -3.17 114.58 116.05 2ctm h GLU 74 Ca 0.50 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.23 2ctm h GLU 74 Cb 0.70 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 2ctm h GLU 74 CO -0.36 0.39 -0.27 0.00 -1.16 0.00 0.00 179.01 177.62 2ctm h ALA 75 N 0.68 -0.24 -0.76 3.43 0.00 -0.30 -2.43 119.26 119.64 2ctm h ALA 75 Ca 0.01 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2ctm h ALA 75 Cb 0.36 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 2ctm h ALA 75 CO 0.00 -0.72 -0.41 0.82 0.00 0.00 0.00 179.25 178.94 2ctm h ILE 76 N -0.32 0.07 -1.05 0.00 2.04 -1.26 0.74 117.51 117.73 2ctm h ILE 76 Ca 0.11 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.24 2ctm h ILE 76 Cb 0.48 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 2ctm h ILE 76 CO -0.34 0.00 0.69 -0.78 0.00 0.00 0.00 178.15 177.72 2ctm h ASP 77 N -0.12 0.39 -0.07 1.72 3.58 -1.41 0.32 116.42 120.83 2ctm h ASP 77 Ca 0.25 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.56 2ctm h ASP 77 Cb 0.56 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2ctm h ASP 77 CO -0.81 0.07 -0.72 -0.74 -2.88 0.00 0.00 179.24 174.16 2ctm h HIS 78 N 0.34 0.94 0.72 0.28 2.76 0.59 -2.36 115.15 118.42 2ctm h HIS 78 Ca 0.59 -0.40 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2ctm h HIS 78 Cb 1.60 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 30.41 2ctm h HIS 78 CO -0.00 1.21 -0.35 0.82 -1.30 0.00 0.00 177.93 178.31 2ctm h ILE 79 N 0.50 0.00 -0.80 6.26 2.04 0.10 -2.93 117.51 122.67 2ctm h ILE 79 Ca -0.04 -0.20 0.13 0.00 1.00 0.00 0.00 64.86 65.75 2ctm h ILE 79 Cb 1.33 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2ctm h ILE 79 CO 0.14 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.75 2ctm h LEU 80 N -1.17 0.55 -0.58 1.44 3.38 -1.29 -1.24 115.31 116.40 2ctm h LEU 80 Ca -0.10 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2ctm h LEU 80 Cb 0.74 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2ctm h LEU 80 CO 0.16 0.29 0.21 -1.13 0.09 0.00 0.00 178.44 178.07 2ctm h ASN 81 N 0.59 0.21 -0.31 -0.43 -1.24 -1.35 -2.04 115.58 111.01 2ctm h ASN 81 Ca 0.39 0.07 -0.18 0.00 0.71 0.00 0.00 56.30 57.30 2ctm h ASN 81 Cb 0.69 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 2ctm h ASN 81 CO -0.15 0.13 -0.49 -0.07 -1.29 0.00 0.00 177.43 175.55 2ctm h LEU 82 N 0.39 0.97 -0.99 0.34 3.38 -1.07 -3.25 115.31 115.08 2ctm h LEU 82 Ca 0.29 -0.52 0.15 0.00 0.09 0.00 0.00 57.88 57.89 2ctm h LEU 82 Cb 0.34 -0.28 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 2ctm h LEU 82 CO -0.29 1.30 -0.41 -0.08 0.09 0.00 0.00 178.44 179.05 2ctm h GLU 83 N 0.67 -0.00 -0.77 1.13 4.81 -0.67 0.66 114.58 120.41 2ctm h GLU 83 Ca 0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2ctm h GLU 83 Cb 1.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2ctm h GLU 83 CO 0.11 -0.00 0.51 1.49 -0.73 0.00 0.00 179.01 180.39 2ctm h GLU 84 N -0.00 1.00 0.76 1.92 4.81 -1.58 -1.40 114.58 120.08 2ctm h GLU 84 Ca 0.33 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2ctm h GLU 84 Cb 0.58 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ctm h GLU 84 CO -0.98 0.66 -0.38 1.49 -0.73 0.00 0.00 179.01 179.07 2ctm h GLU 85 N 1.02 -1.00 0.25 1.92 4.57 0.11 -0.78 114.58 120.68 2ctm h GLU 85 Ca 0.29 0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2ctm h GLU 85 Cb -0.10 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2ctm h GLU 85 CO -0.07 -0.66 -0.39 1.88 -1.18 0.00 0.00 179.01 178.59 2ctm h TYR 86 N -1.03 -1.10 -1.09 0.92 0.05 -0.47 -1.66 116.97 112.58 2ctm h TYR 86 Ca -0.10 0.02 0.30 0.00 0.05 0.00 0.00 58.73 58.99 2ctm h TYR 86 Cb 0.80 0.45 -0.10 0.00 1.01 0.00 0.00 36.73 38.89 2ctm h TYR 86 CO -0.03 -0.48 0.70 -0.07 -1.05 0.00 0.00 178.16 177.23 2ctm h LEU 87 N -0.67 0.41 -1.00 3.88 3.38 -1.29 0.16 115.31 120.18 2ctm h LEU 87 Ca -0.03 0.10 0.29 0.00 0.09 0.00 0.00 57.88 58.33 2ctm h LEU 87 Cb 0.62 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 2ctm h LEU 87 CO -0.12 0.03 0.57 0.00 0.09 0.00 0.00 178.44 179.00 2ctm h ALA 88 N 1.62 1.87 -0.47 1.53 0.00 -0.13 -1.66 119.26 122.02 2ctm h ALA 88 Ca 0.64 0.17 -0.69 0.00 0.00 0.00 0.00 54.91 55.03 2ctm h ALA 88 Cb 1.71 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 2ctm h ALA 88 CO -0.33 -0.45 2.46 -3.47 0.00 0.00 0.00 179.25 177.46 2ctm n ASP 89 N -4.99 7.99 -0.04 0.00 2.03 0.58 -4.54 116.55 117.56 2ctm n ASP 89 Ca 0.30 -3.00 -0.18 0.00 0.52 0.00 0.00 54.79 52.42 2ctm n ASP 89 Cb 0.88 -1.39 -0.13 0.00 -0.72 0.00 0.00 41.12 39.76 2ctm n ASP 89 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ctm h SER 90 N 4.49 0.15 -0.59 1.67 4.64 -1.50 -3.46 113.55 118.96 2ctm h SER 90 Ca 0.70 -0.85 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2ctm h SER 90 Cb 0.37 -0.05 -0.16 0.00 -0.31 0.00 0.00 62.40 62.25 2ctm h SER 90 CO 1.45 1.30 -0.29 -0.83 -0.87 0.00 0.00 176.83 177.58 2ctm s GLY 91 N -4.54 -1.55 0.00 -0.77 0.00 -1.26 -4.99 107.32 94.20 2ctm s GLY 91 Ca -0.20 0.30 0.13 0.00 0.00 0.00 0.00 44.72 44.95 2ctm s GLY 91 CO 0.71 4.00 1.19 -1.55 0.00 0.00 0.00 173.10 177.45 2ctm n PRO 92 N 3.14 0.49 -1.93 2.90 -0.04 -1.26 -4.63 135.00 133.67 2ctm n PRO 92 Ca 0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 2ctm n PRO 92 Cb 0.60 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 2ctm n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctm s SER 93 N -1.91 4.74 0.83 3.54 1.04 -1.26 -4.94 113.70 115.74 2ctm s SER 93 Ca 0.19 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.69 2ctm s SER 93 Cb 0.09 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.73 2ctm s SER 93 CO 0.15 -3.21 1.15 -0.55 0.98 0.00 0.00 173.24 171.75 2ctm s SER 94 N 8.20 3.68 0.00 7.02 0.15 -1.26 -5.26 113.70 126.22 2ctm s SER 94 Ca 0.75 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.53 2ctm s SER 94 Cb -0.06 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2ctm s SER 94 CO 0.06 -2.60 0.00 0.61 1.20 0.00 0.00 173.24 172.51