#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 6.59 0.43 1.61 1.04 -1.26 -5.05 113.70 117.06 2ctm s SER 2 Ca 0.00 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.07 2ctm s SER 2 Cb 0.00 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 2ctm s SER 2 CO 0.00 -0.55 0.29 -0.44 0.98 0.00 0.00 173.24 173.52 2ctm s SER 3 N 1.62 4.72 0.00 7.02 0.01 -1.26 -5.14 113.70 120.67 2ctm s SER 3 Ca 0.29 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2ctm s SER 3 Cb -0.15 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.67 2ctm s SER 3 CO 0.12 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2ctm n GLY 4 N -1.43 3.29 2.84 3.44 0.00 -1.26 -5.13 105.19 106.93 2ctm n GLY 4 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2ctm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctm s SER 5 N 0.94 4.27 0.10 1.61 0.15 -1.26 -5.11 113.70 114.41 2ctm s SER 5 Ca 0.00 -1.96 0.07 0.00 0.70 0.00 0.00 55.95 54.76 2ctm s SER 5 Cb 0.00 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2ctm s SER 5 CO 0.00 -0.38 -0.16 -0.94 1.20 0.00 0.00 173.24 172.95 2ctm s SER 6 N 1.19 2.11 -0.42 5.45 1.04 -1.26 -5.11 113.70 116.69 2ctm s SER 6 Ca 0.11 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2ctm s SER 6 Cb -0.19 -0.09 0.19 0.00 0.10 0.00 0.00 66.02 66.03 2ctm s SER 6 CO -0.16 -0.05 0.84 -0.83 0.98 0.00 0.00 173.24 174.02 2ctm s GLY 7 N -2.08 -1.46 0.24 7.32 0.00 -1.26 -5.14 107.32 104.93 2ctm s GLY 7 Ca 0.05 0.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 2ctm s GLY 7 CO 0.03 3.91 0.18 0.54 0.00 0.00 0.00 173.10 177.77 2ctm n ARG 8 N 3.30 0.00 -3.30 2.90 3.00 -1.26 -4.97 116.66 116.33 2ctm n ARG 8 Ca 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.86 2ctm n ARG 8 Cb 0.59 -0.74 -0.04 0.00 0.00 0.00 0.00 32.46 32.28 2ctm n ARG 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2ctm n ILE 9 N -0.47 0.00 -0.10 0.55 -6.64 -1.26 -5.09 119.36 106.35 2ctm n ILE 9 Ca 0.10 -1.38 -0.14 0.00 -1.77 0.00 0.00 62.75 59.56 2ctm n ILE 9 Cb 0.25 0.75 -0.09 0.00 -1.44 0.00 0.00 39.64 39.11 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 1.17 -3.34 7.28 0.31 -1.26 -4.85 118.33 117.25 2ctm n VAL 10 Ca 0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2ctm n VAL 10 Cb 0.39 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 2.50 -1.79 3.69 2.92 0.00 -1.26 -4.80 105.19 106.45 2ctm n GLY 11 Ca -0.36 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 2.91 0.04 1.61 0.41 -1.26 -5.04 118.70 117.37 2ctm s GLU 12 Ca 0.00 -0.49 -0.11 0.00 -0.41 0.00 0.00 54.97 53.96 2ctm s GLU 12 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 2ctm s GLU 12 CO 0.00 0.67 1.19 -0.07 -0.49 0.00 0.00 175.26 176.56 2ctm h LEU 13 N 4.77 -0.58 -0.91 1.80 4.07 -1.96 -1.06 115.31 121.44 2ctm h LEU 13 Ca -0.50 0.07 0.25 0.00 0.08 0.00 0.00 57.88 57.78 2ctm h LEU 13 Cb 1.19 0.23 -0.16 0.00 1.08 0.00 0.00 40.66 42.99 2ctm h LEU 13 CO 0.56 -0.17 0.09 -0.33 -1.08 0.00 0.00 178.44 177.52 2ctm h GLU 14 N -0.20 0.08 -0.80 1.13 5.08 -2.02 0.97 114.58 118.81 2ctm h GLU 14 Ca 0.01 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2ctm h GLU 14 Cb 0.23 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2ctm h GLU 14 CO -0.14 0.05 0.53 1.96 -1.00 0.00 0.00 179.01 180.40 2ctm h GLN 15 N 0.08 0.81 -6.67 2.33 1.08 -1.72 -3.43 115.11 107.59 2ctm h GLN 15 Ca 0.56 -0.05 -0.57 0.00 -1.45 0.00 0.00 58.65 57.14 2ctm h GLN 15 Cb 1.13 -0.18 0.17 0.00 -0.05 0.00 0.00 27.48 28.55 2ctm h GLN 15 CO -0.80 0.54 -0.17 -1.33 -0.95 0.00 0.00 178.83 176.12 2ctm n MET 16 N -4.49 0.63 -4.44 1.46 2.81 0.33 -4.68 117.12 108.73 2ctm n MET 16 Ca 0.12 0.25 -0.21 0.00 -1.81 0.00 0.00 57.70 56.05 2ctm n MET 16 Cb 0.25 -1.92 -0.14 0.00 -0.71 0.00 0.00 33.22 30.70 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 -1.67 1.16 -0.18 2.03 -7.23 0.74 -4.78 120.40 110.47 2ctm s VAL 17 Ca 0.72 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 2ctm s VAL 17 Cb -0.42 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2ctm s VAL 17 CO 0.51 0.09 0.32 -0.94 -0.31 0.00 0.00 175.10 174.77 2ctm s SER 18 N -0.96 6.41 0.24 4.85 1.04 -1.26 -1.89 113.70 122.13 2ctm s SER 18 Ca 0.03 0.48 0.08 0.00 0.48 0.00 0.00 55.95 57.02 2ctm s SER 18 Cb -0.07 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 2ctm s SER 18 CO 0.01 0.04 -0.14 -1.61 0.98 0.00 0.00 173.24 172.52 2ctm s GLU 19 N 0.78 1.45 -0.27 4.02 0.41 0.08 -4.98 118.70 120.19 2ctm s GLU 19 Ca 0.17 -1.67 -0.02 0.00 -0.41 0.00 0.00 54.97 53.04 2ctm s GLU 19 Cb -0.14 -1.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.98 2ctm s GLU 19 CO 0.05 0.19 -0.03 0.16 -0.49 0.00 0.00 175.26 175.14 2ctm s ASP 20 N -3.38 4.54 -0.22 -0.19 1.47 -1.26 -1.46 116.67 116.18 2ctm s ASP 20 Ca 0.25 -0.93 -0.05 0.00 1.18 0.00 0.00 52.55 53.01 2ctm s ASP 20 Cb -0.01 -1.70 -0.02 0.00 -0.34 0.00 0.00 42.92 40.85 2ctm s ASP 20 CO 0.09 -0.16 -0.02 -0.69 0.68 0.00 0.00 175.17 175.07 2ctm s VAL 21 N 1.33 3.64 -0.50 2.11 1.01 -0.31 -4.93 120.40 122.74 2ctm s VAL 21 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 2ctm s VAL 21 Cb -0.17 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2ctm s VAL 21 CO -0.03 0.41 1.80 -2.16 0.00 0.00 0.00 175.10 175.12 2ctm s PRO 22 N 1.38 2.94 -0.16 2.72 0.04 -1.26 -1.23 135.00 139.42 2ctm s PRO 22 Ca 0.05 0.89 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2ctm s PRO 22 Cb -0.14 -4.29 0.01 0.00 0.04 0.00 0.00 34.50 30.11 2ctm s PRO 22 CO -0.01 -2.35 -0.18 -1.17 0.04 0.00 0.00 177.00 173.33 2ctm s LEU 23 N 8.05 2.28 0.16 -3.56 2.96 0.11 -4.94 118.68 123.74 2ctm s LEU 23 Ca 0.71 -0.56 -0.32 0.00 -0.22 0.00 0.00 54.13 53.74 2ctm s LEU 23 Cb -0.16 -1.51 -0.11 0.00 0.50 0.00 0.00 46.19 44.91 2ctm s LEU 23 CO 0.26 0.05 1.79 -0.67 -1.32 0.00 0.00 176.35 176.46 2ctm n ASP 24 N 4.28 4.03 0.29 3.68 2.03 -1.26 -4.21 116.55 125.39 2ctm n ASP 24 Ca -0.20 1.02 0.16 0.00 0.52 0.00 0.00 54.79 56.29 2ctm n ASP 24 Cb 0.51 -1.56 0.94 0.00 -0.72 0.00 0.00 41.12 40.29 2ctm n ASP 24 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2ctm h HIS 25 N 7.84 0.00 0.00 -0.67 -0.00 -1.86 0.04 115.15 120.49 2ctm h HIS 25 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2ctm h HIS 25 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2ctm h HIS 25 CO 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.66 2ctm h ARG 26 N 0.00 0.00 0.00 5.26 2.47 -1.95 -2.40 114.38 117.75 2ctm h ARG 26 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2ctm h ARG 26 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2ctm h ARG 26 CO -0.00 0.00 -0.70 1.33 0.56 0.00 0.00 179.97 181.16 2ctm n VAL 27 N -2.77 0.00 0.00 2.04 0.24 -0.09 -4.69 118.33 113.06 2ctm n VAL 27 Ca -0.01 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2ctm n VAL 27 Cb 0.12 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 2ctm n VAL 27 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2ctm n HIS 28 N -1.37 0.00 -0.08 6.34 8.25 -0.65 -0.44 115.22 127.27 2ctm n HIS 28 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2ctm n HIS 28 Cb 0.07 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 30.72 2ctm n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ctm h ALA 29 N -1.09 0.23 -1.25 -1.41 0.00 -1.88 0.13 119.26 113.99 2ctm h ALA 29 Ca 0.00 0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.38 2ctm h ALA 29 Cb 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2ctm h ALA 29 CO 0.00 -0.45 0.85 0.00 0.00 0.00 0.00 179.25 179.65 2ctm h ARG 30 N 0.03 0.14 0.06 0.00 3.08 -1.53 -0.03 114.38 116.13 2ctm h ARG 30 Ca 0.15 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.94 2ctm h ARG 30 Cb 0.22 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2ctm h ARG 30 CO -0.30 0.09 -1.30 0.82 -1.07 0.00 0.00 179.97 178.21 2ctm h ILE 31 N 0.14 1.00 -0.60 2.04 2.04 0.83 -3.37 117.51 119.58 2ctm h ILE 31 Ca 0.67 -2.30 0.12 0.00 1.00 0.00 0.00 64.86 64.34 2ctm h ILE 31 Cb 2.24 2.56 -0.12 0.00 -0.74 0.00 0.00 36.82 40.77 2ctm h ILE 31 CO -0.19 0.57 -0.16 0.40 0.00 0.00 0.00 178.15 178.77 2ctm h ILE 32 N -0.58 0.38 0.00 -0.67 2.04 0.96 -3.12 117.51 116.53 2ctm h ILE 32 Ca -0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2ctm h ILE 32 Cb 1.56 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2ctm h ILE 32 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.72 2ctm n GLY 33 N -1.42 0.66 0.33 5.37 0.00 -0.38 -3.03 105.19 106.72 2ctm n GLY 33 Ca 0.07 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 2ctm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm h ALA 34 N 0.00 -0.80 -0.54 4.61 0.00 -1.93 -2.85 119.26 117.74 2ctm h ALA 34 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ctm h ALA 34 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2ctm h ALA 34 CO 0.00 -0.95 0.09 0.54 0.00 0.00 0.00 179.25 178.93 2ctm n ARG 35 N -5.43 3.94 -2.48 0.00 1.74 -1.26 -4.89 116.66 108.27 2ctm n ARG 35 Ca -0.13 -2.64 -0.19 0.00 -0.77 0.00 0.00 57.85 54.12 2ctm n ARG 35 Cb 0.33 -2.13 -0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ctm n GLY 36 N 0.30 -0.50 0.12 -0.13 0.00 -1.08 -4.88 105.19 99.02 2ctm n GLY 36 Ca 0.28 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2ctm n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctm h LYS 37 N -0.15 0.19 -1.00 1.61 1.57 -1.83 -2.97 116.57 113.99 2ctm h LYS 37 Ca -0.46 -0.33 0.25 0.00 -1.87 0.00 0.00 60.65 58.24 2ctm h LYS 37 Cb 1.34 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.69 2ctm h LYS 37 CO 0.54 1.16 0.66 0.00 -0.57 0.00 0.00 179.45 181.24 2ctm h ALA 38 N -0.11 2.31 0.00 3.86 0.00 -1.75 0.30 119.26 123.86 2ctm h ALA 38 Ca -0.35 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2ctm h ALA 38 Cb 1.73 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2ctm h ALA 38 CO 0.01 -0.67 -1.19 0.97 0.00 0.00 0.00 179.25 178.37 2ctm h ILE 39 N 0.36 0.26 -0.64 0.00 6.09 -1.46 -3.35 117.51 118.77 2ctm h ILE 39 Ca 0.55 -1.52 -0.06 0.00 -1.37 0.00 0.00 64.86 62.45 2ctm h ILE 39 Cb 1.46 1.79 -0.03 0.00 0.47 0.00 0.00 36.82 40.51 2ctm h ILE 39 CO -0.23 0.15 0.15 -0.09 -3.07 0.00 0.00 178.15 175.06 2ctm h ARG 40 N 0.00 1.03 -0.32 2.19 9.65 -0.26 -1.75 114.38 124.92 2ctm h ARG 40 Ca -0.08 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.48 2ctm h ARG 40 Cb 1.30 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2ctm h ARG 40 CO 0.02 0.93 -0.10 1.57 2.80 0.00 0.00 179.97 185.20 2ctm h LYS 41 N 0.95 0.53 -0.16 0.20 2.10 -1.48 -2.10 116.57 116.60 2ctm h LYS 41 Ca 0.20 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.64 2ctm h LYS 41 Cb 0.37 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2ctm h LYS 41 CO 0.00 0.63 -0.14 0.82 -2.00 0.00 0.00 179.45 178.76 2ctm h ILE 42 N 0.49 1.33 -0.15 0.07 2.04 -1.62 -0.57 117.51 119.10 2ctm h ILE 42 Ca 0.09 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.69 2ctm h ILE 42 Cb 0.47 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2ctm h ILE 42 CO 0.03 0.38 0.08 0.24 0.00 0.00 0.00 178.15 178.87 2ctm h MET 43 N 0.03 0.16 -0.26 2.37 2.86 -1.19 -2.38 114.93 116.51 2ctm h MET 43 Ca 0.03 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2ctm h MET 43 Cb 0.66 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2ctm h MET 43 CO 0.04 0.11 -0.19 -0.44 1.06 0.00 0.00 176.91 177.48 2ctm h ASP 44 N 0.17 0.46 0.37 1.22 3.32 -1.41 0.98 116.42 121.52 2ctm h ASP 44 Ca 0.06 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ctm h ASP 44 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2ctm h ASP 44 CO -0.04 0.67 -0.39 -0.08 -1.72 0.00 0.00 179.24 177.68 2ctm h GLU 45 N 0.43 -0.76 -0.71 3.56 4.81 -0.61 -2.75 114.58 118.54 2ctm h GLU 45 Ca 0.07 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2ctm h GLU 45 Cb 0.58 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2ctm h GLU 45 CO 0.04 -0.51 0.00 1.19 -0.73 0.00 0.00 179.01 179.00 2ctm n PHE 46 N -5.49 1.22 -4.02 0.92 3.72 -0.96 -4.95 117.46 107.90 2ctm n PHE 46 Ca -0.10 -0.54 -0.28 0.00 -0.05 0.00 0.00 57.45 56.48 2ctm n PHE 46 Cb 0.39 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 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 1.44 -3.27 -4.55 -1.08 4.76 0.30 -4.76 118.16 111.00 2ctm n LYS 47 Ca 0.25 0.39 -0.26 0.00 -2.87 0.00 0.00 58.31 55.83 2ctm n LYS 47 Cb 0.74 -4.64 -0.11 0.00 -1.84 0.00 0.00 35.03 29.18 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 -3.82 2.14 -0.40 -0.18 -7.23 0.11 -4.83 120.40 106.19 2ctm s VAL 48 Ca 0.17 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2ctm s VAL 48 Cb -0.09 -2.70 0.11 0.00 0.56 0.00 0.00 36.38 34.25 2ctm s VAL 48 CO 0.90 -0.17 0.16 -1.81 -0.31 0.00 0.00 175.10 173.88 2ctm s ASP 49 N -3.61 5.09 -0.46 4.85 1.11 -0.86 -4.47 116.67 118.32 2ctm s ASP 49 Ca 0.33 -2.12 -0.27 0.00 0.18 0.00 0.00 52.55 50.67 2ctm s ASP 49 Cb 0.04 -1.76 0.03 0.00 1.07 0.00 0.00 42.92 42.29 2ctm s ASP 49 CO 0.16 -0.48 1.01 -0.63 1.18 0.00 0.00 175.17 176.42 2ctm s ILE 50 N 1.00 4.37 -0.42 0.77 1.01 -1.26 -1.42 121.20 125.25 2ctm s ILE 50 Ca 0.10 0.98 -0.12 0.00 0.00 0.00 0.00 60.65 61.61 2ctm s ILE 50 Cb -0.22 -4.50 0.06 0.00 0.01 0.00 0.00 42.46 37.82 2ctm s ILE 50 CO -0.05 -0.88 0.29 -0.60 0.00 0.00 0.00 174.94 173.69 2ctm s ARG 51 N 4.02 2.77 0.56 2.79 6.06 -0.08 -4.96 118.95 130.11 2ctm s ARG 51 Ca 0.42 -1.33 -0.16 0.00 -2.50 0.00 0.00 55.73 52.15 2ctm s ARG 51 Cb -0.09 -3.88 -0.05 0.00 0.06 0.00 0.00 34.95 30.99 2ctm s ARG 51 CO 0.28 -0.91 1.04 -0.06 -2.50 0.00 0.00 175.30 173.15 2ctm s PHE 52 N 1.53 3.08 -0.03 5.12 0.40 -1.26 -0.81 117.98 126.01 2ctm s PHE 52 Ca 0.03 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.57 2ctm s PHE 52 Cb -0.22 -2.97 -0.05 0.00 0.51 0.00 0.00 43.02 40.28 2ctm s PHE 52 CO 0.05 -0.93 1.47 -1.25 0.70 0.00 0.00 175.22 175.26 2ctm s PRO 53 N -3.97 4.24 1.03 0.24 0.04 -1.25 -4.92 135.00 130.41 2ctm s PRO 53 Ca 0.63 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 2ctm s PRO 53 Cb -0.15 -3.71 0.21 0.00 0.04 0.00 0.00 34.50 30.89 2ctm s PRO 53 CO 0.34 -0.68 1.16 -0.65 0.04 0.00 0.00 177.00 177.21 2ctm s GLN 54 N 3.00 0.16 0.27 4.56 -0.21 -1.26 -4.86 119.66 121.32 2ctm s GLN 54 Ca 0.66 0.04 -0.00 0.00 0.02 0.00 0.00 55.36 56.08 2ctm s GLN 54 Cb -0.31 -1.75 0.56 0.00 1.00 0.00 0.00 33.01 32.51 2ctm s GLN 54 CO 0.26 -2.81 1.76 0.66 -2.12 0.00 0.00 175.29 173.04 2ctm h SER 55 N -1.94 0.54 -1.15 5.90 4.64 -2.02 -0.90 113.55 118.63 2ctm h SER 55 Ca -0.48 0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 60.31 2ctm h SER 55 Cb 1.30 0.01 -0.25 0.00 -0.31 0.00 0.00 62.40 63.15 2ctm h SER 55 CO 0.47 0.22 0.81 0.61 -0.87 0.00 0.00 176.83 178.07 2ctm n GLY 56 N -1.33 5.40 3.91 -0.77 0.00 -1.26 -4.96 105.19 106.18 2ctm n GLY 56 Ca 0.18 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.40 3.98 0.29 4.61 0.00 -0.34 -5.01 121.76 121.90 2ctm s ALA 57 Ca 0.56 -0.80 0.15 0.00 0.00 0.00 0.00 51.96 51.87 2ctm s ALA 57 Cb 0.44 -1.86 0.68 0.00 0.00 0.00 0.00 23.12 22.38 2ctm s ALA 57 CO -0.12 0.79 1.77 -1.00 0.00 0.00 0.00 175.76 177.20 2ctm h PRO 58 N 3.40 0.00 -2.98 0.00 0.13 -1.93 -3.38 132.00 127.25 2ctm h PRO 58 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 2ctm h PRO 58 Cb 1.17 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2ctm h PRO 58 CO 0.73 0.41 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.66 2ctm s ASP 59 N -6.71 3.63 0.00 1.44 1.01 -1.26 -4.95 116.67 109.83 2ctm s ASP 59 Ca -0.02 -2.65 0.15 0.00 0.71 0.00 0.00 52.55 50.75 2ctm s ASP 59 Cb 0.13 -1.03 0.83 0.00 1.01 0.00 0.00 42.92 43.86 2ctm s ASP 59 CO 0.71 -0.26 1.37 -0.81 0.21 0.00 0.00 175.17 176.39 2ctm n PRO 60 N 3.52 0.34 -0.00 8.23 -0.04 -1.26 -1.89 135.00 143.89 2ctm n PRO 60 Ca 0.09 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2ctm n PRO 60 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.15 1.97 -4.21 3.54 0.23 -1.26 -4.50 115.26 109.87 2ctm n ASN 61 Ca 0.09 -1.94 -0.28 0.00 -0.53 0.00 0.00 54.58 51.92 2ctm n ASN 61 Cb 0.09 -0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 37.62 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 -0.22 3.09 -0.53 0.00 -7.23 -0.36 -3.85 120.40 111.29 2ctm s VAL 63 Ca 0.01 -0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 2ctm s VAL 63 Cb -0.11 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.70 2ctm s VAL 63 CO 0.02 0.51 0.48 -0.89 -0.31 0.00 0.00 175.10 174.90 2ctm s THR 64 N -0.81 5.21 -0.15 5.32 2.01 0.01 -1.16 115.64 126.07 2ctm s THR 64 Ca 0.13 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 2ctm s THR 64 Cb -0.11 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2ctm s THR 64 CO 0.03 -0.81 0.38 -0.69 -0.69 0.00 0.00 174.62 172.83 2ctm s VAL 65 N 1.61 5.25 0.22 3.82 1.01 -0.53 -0.91 120.40 130.86 2ctm s VAL 65 Ca 0.03 0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.80 2ctm s VAL 65 Cb -0.29 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2ctm s VAL 65 CO 0.04 0.35 0.14 -0.89 0.00 0.00 0.00 175.10 174.73 2ctm s THR 66 N 0.64 4.31 0.00 3.92 2.01 -0.50 -0.74 115.64 125.28 2ctm s THR 66 Ca 0.20 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.87 2ctm s THR 66 Cb -0.14 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.10 2ctm s THR 66 CO 0.07 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 2ctm n GLY 67 N -0.77 3.09 3.43 4.40 0.00 -0.79 -2.02 105.19 112.53 2ctm n GLY 67 Ca -0.08 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 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 0.23 0.25 0.99 7.99 -1.26 -0.19 117.00 125.01 2ctm n LEU 68 Ca 0.00 0.67 0.16 0.00 -0.01 0.00 0.00 56.01 56.83 2ctm n LEU 68 Cb 0.00 -1.15 0.67 0.00 -0.11 0.00 0.00 43.42 42.83 2ctm n LEU 68 CO 0.00 -3.30 0.97 1.55 -1.51 0.00 0.00 177.39 175.10 2ctm h PRO 69 N -0.02 0.00 0.00 3.23 0.13 -1.89 0.23 132.00 133.68 2ctm h PRO 69 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2ctm h PRO 69 Cb 1.38 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2ctm h PRO 69 CO 0.44 0.00 -1.29 1.05 -0.23 0.00 0.00 178.00 177.98 2ctm h GLU 70 N 0.00 0.00 0.12 0.86 9.09 -2.00 -3.28 114.58 119.37 2ctm h GLU 70 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.05 2ctm h GLU 70 Cb 0.46 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 2ctm h GLU 70 CO 0.00 0.48 -1.98 0.09 0.05 0.00 0.00 179.01 177.66 2ctm n ASN 71 N -3.05 2.04 0.11 3.06 3.02 -1.05 -4.21 115.26 115.18 2ctm n ASN 71 Ca -0.08 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 2ctm n ASN 71 Cb 0.90 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 2ctm n ASN 71 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2ctm h VAL 72 N 0.07 0.48 -0.91 2.41 2.07 -1.12 -2.09 116.25 117.16 2ctm h VAL 72 Ca -0.41 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.36 2ctm h VAL 72 Cb 2.04 0.48 -0.15 0.00 -1.52 0.00 0.00 31.29 32.13 2ctm h VAL 72 CO 0.09 0.00 0.20 1.05 0.02 0.00 0.00 177.57 178.93 2ctm h GLU 73 N -0.43 0.13 -0.52 1.57 4.11 -1.76 0.47 114.58 118.16 2ctm h GLU 73 Ca 0.03 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.39 2ctm h GLU 73 Cb 0.45 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2ctm h GLU 73 CO -0.12 0.09 0.11 0.93 0.07 0.00 0.00 179.01 180.08 2ctm h GLU 74 N 0.14 0.84 0.38 1.06 4.39 -1.59 -2.99 114.58 116.81 2ctm h GLU 74 Ca 0.58 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2ctm h GLU 74 Cb 1.22 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2ctm h GLU 74 CO -0.73 0.81 -0.26 0.00 -1.16 0.00 0.00 179.01 177.67 2ctm h ALA 75 N 0.99 -0.62 -0.52 3.43 0.00 0.52 -3.00 119.26 120.05 2ctm h ALA 75 Ca 0.16 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2ctm h ALA 75 Cb 0.36 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 2ctm h ALA 75 CO 0.01 -0.87 -0.45 0.82 0.00 0.00 0.00 179.25 178.75 2ctm h ILE 76 N -0.63 0.08 -1.06 0.00 2.04 -1.12 0.29 117.51 117.10 2ctm h ILE 76 Ca -0.04 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.17 2ctm h ILE 76 Cb 0.53 0.08 -0.14 0.00 -0.74 0.00 0.00 36.82 36.55 2ctm h ILE 76 CO 0.02 0.00 0.63 -0.78 0.00 0.00 0.00 178.15 178.02 2ctm h ASP 77 N -0.27 0.44 -0.09 1.72 1.82 -1.42 0.81 116.42 119.44 2ctm h ASP 77 Ca 0.16 0.18 -0.18 0.00 -0.39 0.00 0.00 57.03 56.79 2ctm h ASP 77 Cb 0.57 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 2ctm h ASP 77 CO -0.65 -0.15 -0.60 -0.74 -1.61 0.00 0.00 179.24 175.49 2ctm h HIS 78 N 0.26 0.88 0.47 0.28 2.76 -0.35 -1.99 115.15 117.46 2ctm h HIS 78 Ca 0.75 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2ctm h HIS 78 Cb 1.87 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.68 2ctm h HIS 78 CO -0.01 1.11 -0.23 0.82 -1.30 0.00 0.00 177.93 178.33 2ctm h ILE 79 N 0.52 0.51 -0.31 6.26 2.04 0.18 -2.83 117.51 123.89 2ctm h ILE 79 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2ctm h ILE 79 Cb 1.18 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2ctm h ILE 79 CO 0.12 0.04 0.11 -0.07 0.00 0.00 0.00 178.15 178.35 2ctm h LEU 80 N -0.77 0.38 -0.66 1.44 3.38 -1.23 -1.59 115.31 116.26 2ctm h LEU 80 Ca -0.06 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2ctm h LEU 80 Cb 0.55 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2ctm h LEU 80 CO 0.11 0.36 0.33 -1.13 0.09 0.00 0.00 178.44 178.21 2ctm h ASN 81 N 0.43 0.45 0.06 -0.43 -1.24 -1.17 -2.51 115.58 111.17 2ctm h ASN 81 Ca 0.11 0.05 -0.27 0.00 0.71 0.00 0.00 56.30 56.89 2ctm h ASN 81 Cb 0.11 -0.03 0.03 0.00 0.73 0.00 0.00 38.32 39.16 2ctm h ASN 81 CO -0.01 0.28 -1.10 -0.07 -1.29 0.00 0.00 177.43 175.23 2ctm h LEU 82 N 0.59 0.86 -0.97 0.34 3.38 -1.21 -3.28 115.31 115.03 2ctm h LEU 82 Ca 0.32 -0.79 0.30 0.00 0.09 0.00 0.00 57.88 57.79 2ctm h LEU 82 Cb 0.29 -0.27 -0.18 0.00 0.09 0.00 0.00 40.66 40.59 2ctm h LEU 82 CO -0.23 1.55 0.18 -0.08 0.09 0.00 0.00 178.44 179.94 2ctm h GLU 83 N 0.27 0.04 0.03 1.13 4.81 -0.86 0.35 114.58 120.36 2ctm h GLU 83 Ca -0.16 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2ctm h GLU 83 Cb 1.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.15 2ctm h GLU 83 CO 0.21 0.03 -0.02 1.49 -0.73 0.00 0.00 179.01 179.99 2ctm h GLU 84 N 0.04 -0.04 -0.77 1.92 4.81 -1.59 -2.67 114.58 116.28 2ctm h GLU 84 Ca 0.65 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.97 2ctm h GLU 84 Cb 1.44 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.71 2ctm h GLU 84 CO -0.85 -0.03 -0.50 1.49 -0.73 0.00 0.00 179.01 178.40 2ctm h GLU 85 N -0.07 -0.13 -0.61 1.92 4.57 -1.46 0.10 114.58 118.90 2ctm h GLU 85 Ca -0.00 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 2ctm h GLU 85 Cb 0.03 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.54 2ctm h GLU 85 CO 0.01 -0.09 -0.36 1.88 -1.18 0.00 0.00 179.01 179.27 2ctm h TYR 86 N -0.14 -1.03 -0.62 0.92 -1.99 -0.44 0.72 116.97 114.39 2ctm h TYR 86 Ca 0.18 0.08 0.10 0.00 2.00 0.00 0.00 58.73 61.10 2ctm h TYR 86 Cb 0.52 0.54 -0.08 0.00 2.00 0.00 0.00 36.73 39.71 2ctm h TYR 86 CO -0.85 -0.39 0.20 -0.07 -0.00 0.00 0.00 178.16 177.04 2ctm h LEU 87 N -0.17 0.15 -1.75 3.88 3.38 -0.66 -0.32 115.31 119.82 2ctm h LEU 87 Ca 0.22 0.09 0.49 0.00 0.09 0.00 0.00 57.88 58.77 2ctm h LEU 87 Cb 0.56 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 2ctm h LEU 87 CO -0.70 0.09 1.11 0.00 0.09 0.00 0.00 178.44 179.03 2ctm h ALA 88 N 1.45 3.30 -1.00 1.53 0.00 0.43 1.22 119.26 126.19 2ctm h ALA 88 Ca 0.32 0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.57 2ctm h ALA 88 Cb 0.43 0.16 -0.29 0.00 0.00 0.00 0.00 17.79 18.10 2ctm h ALA 88 CO -0.35 -1.86 0.87 -0.25 0.00 0.00 0.00 179.25 177.66 2ctm n ASP 89 N -4.29 7.66 -0.29 0.00 9.92 -0.13 -4.74 116.55 124.68 2ctm n ASP 89 Ca 0.39 -3.78 0.26 0.00 -0.53 0.00 0.00 54.79 51.13 2ctm n ASP 89 Cb 1.67 -0.98 0.49 0.00 -0.64 0.00 0.00 41.12 41.66 2ctm n ASP 89 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2ctm n SER 90 N -0.91 0.24 0.00 -2.24 7.64 0.42 -4.65 113.62 114.11 2ctm n SER 90 Ca 0.63 1.51 0.00 0.00 1.01 0.00 0.00 58.87 62.02 2ctm n SER 90 Cb 0.67 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2ctm n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctm n GLY 91 N -1.28 5.37 3.65 0.23 0.00 -1.26 -5.10 105.19 106.80 2ctm n GLY 91 Ca 0.32 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 2ctm n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctm s PRO 92 N 1.04 4.06 0.70 1.61 0.04 -1.26 -4.97 135.00 136.22 2ctm s PRO 92 Ca 0.00 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2ctm s PRO 92 Cb 0.00 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2ctm s PRO 92 CO 0.00 -0.96 0.58 0.43 0.04 0.00 0.00 177.00 177.09 2ctm n SER 93 N 7.45 -0.97 -0.03 6.66 7.64 -1.26 -4.96 113.62 128.14 2ctm n SER 93 Ca 0.17 0.62 -0.06 0.00 1.01 0.00 0.00 58.87 60.61 2ctm n SER 93 Cb 0.44 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 2ctm n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ctm n SER 94 N -0.34 1.65 0.00 6.43 2.88 -1.26 -5.25 113.62 117.73 2ctm n SER 94 Ca 0.11 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2ctm n SER 94 Cb 0.49 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42