#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 -1.08 -2.19 1.61 3.41 -1.26 -4.77 113.62 109.34 2ctm n SER 2 Ca 0.00 -1.19 -0.25 0.00 -0.26 0.00 0.00 58.87 57.17 2ctm n SER 2 Cb 0.00 -1.51 0.03 0.00 -0.26 0.00 0.00 64.21 62.47 2ctm n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ctm n SER 3 N -2.39 6.90 -4.31 4.04 2.88 -1.26 -4.95 113.62 114.52 2ctm n SER 3 Ca 0.01 -3.35 -0.27 0.00 -1.33 0.00 0.00 58.87 53.93 2ctm n SER 3 Cb 0.48 -1.07 0.16 0.00 -0.75 0.00 0.00 64.21 63.04 2ctm n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctm s GLY 4 N -0.44 1.78 -0.43 0.46 0.00 -1.26 -5.01 107.32 102.43 2ctm s GLY 4 Ca 0.47 -1.56 -0.28 0.00 0.00 0.00 0.00 44.72 43.34 2ctm s GLY 4 CO -0.07 -0.84 1.06 -1.35 0.00 0.00 0.00 173.10 171.90 2ctm s SER 5 N -4.87 6.68 -0.14 1.64 1.04 -1.26 -5.00 113.70 111.79 2ctm s SER 5 Ca 0.72 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.69 2ctm s SER 5 Cb -0.03 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.60 2ctm s SER 5 CO 0.49 -1.09 -0.03 -0.55 0.98 0.00 0.00 173.24 173.05 2ctm s SER 6 N 2.18 2.50 0.28 7.02 0.15 -1.26 -5.13 113.70 119.43 2ctm s SER 6 Ca 0.44 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2ctm s SER 6 Cb -0.09 -0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 2ctm s SER 6 CO 0.26 -0.20 0.23 0.61 1.20 0.00 0.00 173.24 175.33 2ctm n GLY 7 N 4.97 3.11 3.79 9.45 0.00 -1.26 -5.16 105.19 120.09 2ctm n GLY 7 Ca -0.10 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.13 1.65 0.33 1.61 1.81 -1.26 -5.08 118.95 114.88 2ctm s ARG 8 Ca 0.33 0.54 -0.05 0.00 -1.72 0.00 0.00 55.73 54.82 2ctm s ARG 8 Cb 0.02 -1.88 0.02 0.00 -0.45 0.00 0.00 34.95 32.66 2ctm s ARG 8 CO 0.23 -1.90 0.52 0.44 -0.68 0.00 0.00 175.30 173.91 2ctm n ILE 9 N -3.60 0.00 -0.03 1.52 -6.64 -1.26 -5.07 119.36 104.28 2ctm n ILE 9 Ca 0.07 -1.39 0.02 0.00 -1.77 0.00 0.00 62.75 59.67 2ctm n ILE 9 Cb 0.57 0.96 -0.11 0.00 -1.44 0.00 0.00 39.64 39.62 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 -0.51 0.38 -1.46 7.28 0.31 -1.26 -5.06 118.33 118.01 2ctm n VAL 10 Ca -0.02 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2ctm n VAL 10 Cb 0.53 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 1.88 -2.39 3.93 2.92 0.00 -1.26 -4.81 105.19 105.46 2ctm n GLY 11 Ca -0.10 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.55 3.37 0.05 1.61 2.02 -1.26 -5.04 118.70 118.90 2ctm s GLU 12 Ca 0.00 -0.66 -0.25 0.00 0.02 0.00 0.00 54.97 54.08 2ctm s GLU 12 Cb 0.00 -2.91 -0.13 0.00 0.10 0.00 0.00 34.13 31.19 2ctm s GLU 12 CO 0.00 0.50 1.38 -0.07 0.02 0.00 0.00 175.26 177.10 2ctm h LEU 13 N 2.02 -0.88 -1.10 1.80 3.38 -1.96 -2.15 115.31 116.42 2ctm h LEU 13 Ca -0.49 0.05 0.31 0.00 0.09 0.00 0.00 57.88 57.84 2ctm h LEU 13 Cb 1.20 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 42.08 2ctm h LEU 13 CO 0.67 -0.51 0.62 -0.33 0.09 0.00 0.00 178.44 178.98 2ctm h GLU 14 N -0.80 0.36 -0.75 1.13 4.39 -2.03 0.65 114.58 117.53 2ctm h GLU 14 Ca -0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2ctm h GLU 14 Cb 0.65 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2ctm h GLU 14 CO 0.04 0.24 0.41 1.96 -1.16 0.00 0.00 179.01 180.50 2ctm h GLN 15 N 0.37 1.04 -6.69 2.33 1.08 -1.87 -3.44 115.11 107.94 2ctm h GLN 15 Ca 0.70 -0.12 -0.57 0.00 -1.45 0.00 0.00 58.65 57.22 2ctm h GLN 15 Cb 1.64 -0.21 0.17 0.00 -0.05 0.00 0.00 27.48 29.04 2ctm h GLN 15 CO -0.51 0.77 -0.18 -1.33 -0.95 0.00 0.00 178.83 176.62 2ctm n MET 16 N -4.35 0.57 -4.62 1.46 2.81 0.23 -4.71 117.12 108.50 2ctm n MET 16 Ca 0.08 0.23 -0.23 0.00 -1.81 0.00 0.00 57.70 55.97 2ctm n MET 16 Cb 0.10 -1.93 -0.15 0.00 -0.71 0.00 0.00 33.22 30.53 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 -1.71 1.10 -0.29 2.03 -7.23 -0.83 -4.83 120.40 108.64 2ctm s VAL 17 Ca 0.71 -0.56 -0.20 0.00 -1.81 0.00 0.00 61.98 60.12 2ctm s VAL 17 Cb -0.40 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 2ctm s VAL 17 CO 0.52 0.32 0.63 -0.94 -0.31 0.00 0.00 175.10 175.32 2ctm s SER 18 N -0.08 6.52 0.22 4.85 1.04 -1.26 -2.83 113.70 122.16 2ctm s SER 18 Ca 0.01 0.51 0.10 0.00 0.48 0.00 0.00 55.95 57.05 2ctm s SER 18 Cb -0.08 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2ctm s SER 18 CO 0.00 -0.45 -0.13 -1.61 0.98 0.00 0.00 173.24 172.03 2ctm s GLU 19 N 2.58 1.90 -0.23 4.02 2.02 -0.28 -4.97 118.70 123.74 2ctm s GLU 19 Ca 0.25 -1.47 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 2ctm s GLU 19 Cb -0.15 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 2ctm s GLU 19 CO 0.11 0.39 -0.02 0.16 0.02 0.00 0.00 175.26 175.92 2ctm s ASP 20 N -3.12 4.50 -0.23 -0.19 1.47 -1.26 -1.28 116.67 116.56 2ctm s ASP 20 Ca 0.26 -0.37 -0.04 0.00 1.18 0.00 0.00 52.55 53.58 2ctm s ASP 20 Cb -0.07 -1.78 -0.00 0.00 -0.34 0.00 0.00 42.92 40.73 2ctm s ASP 20 CO 0.15 -0.03 -0.04 -0.69 0.68 0.00 0.00 175.17 175.24 2ctm s VAL 21 N 1.51 3.34 -0.56 2.11 1.01 -0.24 -4.95 120.40 122.60 2ctm s VAL 21 Ca 0.06 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 2ctm s VAL 21 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2ctm s VAL 21 CO -0.02 0.37 1.83 -2.16 0.00 0.00 0.00 175.10 175.13 2ctm s PRO 22 N 1.46 2.76 -0.11 2.72 0.04 -1.26 -1.53 135.00 139.08 2ctm s PRO 22 Ca 0.05 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.86 2ctm s PRO 22 Cb -0.15 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2ctm s PRO 22 CO -0.03 -2.56 -0.22 -1.17 0.04 0.00 0.00 177.00 173.05 2ctm s LEU 23 N 8.63 2.17 0.28 -3.56 2.96 0.59 -4.99 118.68 124.75 2ctm s LEU 23 Ca 0.69 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 2ctm s LEU 23 Cb -0.14 -1.44 -0.10 0.00 0.50 0.00 0.00 46.19 45.01 2ctm s LEU 23 CO 0.23 0.14 1.36 -0.62 -1.32 0.00 0.00 176.35 176.14 2ctm s ASP 24 N 0.47 6.74 0.12 3.68 2.15 -1.26 -4.01 116.67 124.57 2ctm s ASP 24 Ca -0.15 2.63 0.11 0.00 0.43 0.00 0.00 52.55 55.58 2ctm s ASP 24 Cb -0.17 -2.63 0.55 0.00 -0.30 0.00 0.00 42.92 40.36 2ctm s ASP 24 CO 0.06 -0.60 1.35 0.00 -0.17 0.00 0.00 175.17 175.81 2ctm n HIS 25 N 1.73 0.29 1.27 -5.34 1.44 -1.26 -1.14 115.22 112.21 2ctm n HIS 25 Ca 0.04 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 2ctm n HIS 25 Cb 0.41 -0.72 0.68 0.00 0.12 0.00 0.00 29.99 30.48 2ctm n HIS 25 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2ctm n ARG 26 N -1.79 0.37 0.00 -1.40 5.12 -1.26 -3.51 116.66 114.19 2ctm n ARG 26 Ca 0.01 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2ctm n ARG 26 Cb 0.07 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 2ctm n ARG 26 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2ctm n VAL 27 N -1.29 0.00 -0.13 1.55 0.24 -0.29 -4.73 118.33 113.67 2ctm n VAL 27 Ca 0.13 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.39 2ctm n VAL 27 Cb 0.22 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.47 -0.14 -0.10 6.34 8.25 -0.99 0.20 115.22 127.32 2ctm n HIS 28 Ca 0.00 0.38 -0.06 0.00 -0.26 0.00 0.00 57.72 57.79 2ctm n HIS 28 Cb 0.19 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.26 0.37 -1.03 -1.41 0.00 -1.88 0.18 119.26 115.22 2ctm h ALA 29 Ca 0.05 0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.33 2ctm h ALA 29 Cb 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2ctm h ALA 29 CO -0.29 -0.33 0.83 0.00 0.00 0.00 0.00 179.25 179.46 2ctm h ARG 30 N 0.19 0.00 0.00 0.00 2.47 -0.54 0.90 114.38 117.40 2ctm h ARG 30 Ca 0.17 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.56 2ctm h ARG 30 Cb 0.19 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.46 2ctm h ARG 30 CO -0.22 0.00 -1.77 -0.89 0.56 0.00 0.00 179.97 177.65 2ctm n ILE 31 N -3.96 1.54 -0.17 2.04 5.41 -0.14 -4.43 119.36 119.64 2ctm n ILE 31 Ca 0.22 -0.18 -0.02 0.00 1.00 0.00 0.00 62.75 63.77 2ctm n ILE 31 Cb 1.18 -1.96 0.06 0.00 -0.71 0.00 0.00 39.64 38.21 2ctm n ILE 31 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ctm h ILE 32 N -0.95 0.54 0.00 1.39 2.04 0.33 -2.94 117.51 117.92 2ctm h ILE 32 Ca -0.49 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2ctm h ILE 32 Cb 1.45 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2ctm h ILE 32 CO -0.28 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.50 2ctm n GLY 33 N -1.34 -0.08 0.04 5.37 0.00 0.21 -3.22 105.19 106.17 2ctm n GLY 33 Ca 0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 0.93 0.25 -1.03 4.61 0.00 -1.26 -4.59 120.51 119.43 2ctm n ALA 34 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.20 2ctm n ALA 34 Cb 0.00 0.01 0.28 0.00 0.00 0.00 0.00 19.45 19.74 2ctm n ALA 34 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ctm n ARG 35 N -3.54 3.22 -1.28 0.00 1.85 -1.26 -4.91 116.66 110.74 2ctm n ARG 35 Ca -0.04 -2.95 -0.02 0.00 -1.00 0.00 0.00 57.85 53.84 2ctm n ARG 35 Cb 0.15 -1.95 -0.01 0.00 -1.05 0.00 0.00 32.46 29.60 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ctm n GLY 36 N -0.36 0.46 0.08 2.89 0.00 -1.22 -4.94 105.19 102.10 2ctm n GLY 36 Ca 0.25 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2ctm n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctm h LYS 37 N 0.00 0.03 -0.46 1.61 2.10 -1.91 -2.98 116.57 114.96 2ctm h LYS 37 Ca -0.03 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.44 2ctm h LYS 37 Cb 0.32 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 2ctm h LYS 37 CO 0.05 0.81 -0.18 0.00 -2.00 0.00 0.00 179.45 178.13 2ctm h ALA 38 N 0.93 0.81 -0.00 0.07 0.00 -1.79 -3.10 119.26 116.17 2ctm h ALA 38 Ca -0.15 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2ctm h ALA 38 Cb 1.90 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.53 2ctm h ALA 38 CO 0.11 0.65 -0.95 0.97 0.00 0.00 0.00 179.25 180.03 2ctm h ILE 39 N 0.79 1.38 -0.92 0.00 6.09 -1.48 -3.19 117.51 120.18 2ctm h ILE 39 Ca 0.11 -2.42 0.27 0.00 -1.37 0.00 0.00 64.86 61.45 2ctm h ILE 39 Cb 0.73 2.41 -0.04 0.00 0.47 0.00 0.00 36.82 40.39 2ctm h ILE 39 CO 0.06 0.73 0.72 -0.09 -3.07 0.00 0.00 178.15 176.49 2ctm h ARG 40 N 0.26 0.00 0.43 2.19 9.65 -1.44 -0.51 114.38 124.96 2ctm h ARG 40 Ca -0.09 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 2ctm h ARG 40 Cb 1.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 2ctm h ARG 40 CO 0.17 0.00 -0.21 -0.22 2.80 0.00 0.00 179.97 182.51 2ctm h LYS 41 N 0.00 -0.56 -0.80 0.20 3.64 -1.59 -1.58 116.57 115.88 2ctm h LYS 41 Ca 0.44 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 2ctm h LYS 41 Cb 1.87 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.78 2ctm h LYS 41 CO -0.00 -0.34 0.47 0.82 -2.27 0.00 0.00 179.45 178.13 2ctm h ILE 42 N -0.65 1.23 -0.82 2.00 2.04 -1.29 0.22 117.51 120.24 2ctm h ILE 42 Ca -0.06 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.34 2ctm h ILE 42 Cb 0.49 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2ctm h ILE 42 CO 0.10 0.24 0.50 0.24 0.00 0.00 0.00 178.15 179.23 2ctm h MET 43 N 1.10 0.89 0.00 2.37 2.86 -1.29 -1.87 114.93 118.99 2ctm h MET 43 Ca 0.29 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.68 2ctm h MET 43 Cb -0.02 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 2ctm h MET 43 CO -0.05 0.59 -0.91 -0.44 1.06 0.00 0.00 176.91 177.16 2ctm h ASP 44 N 0.92 0.00 -0.25 1.22 3.32 -0.84 0.71 116.42 121.49 2ctm h ASP 44 Ca 0.36 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.47 2ctm h ASP 44 Cb 0.17 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 2ctm h ASP 44 CO -0.17 0.91 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.99 2ctm h GLU 45 N 0.00 -0.17 -0.15 3.56 4.57 0.27 -2.98 114.58 119.68 2ctm h GLU 45 Ca -0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ctm h GLU 45 Cb 1.67 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 2ctm h GLU 45 CO 0.12 -0.11 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 2ctm n PHE 46 N -5.34 0.19 -3.43 0.92 3.01 -1.08 -4.99 117.46 106.74 2ctm n PHE 46 Ca -0.01 -0.33 -0.19 0.00 1.01 0.00 0.00 57.45 57.93 2ctm n PHE 46 Cb 0.26 -0.02 0.08 0.00 -0.01 0.00 0.00 39.48 39.78 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ctm n LYS 47 N 0.23 -6.82 -4.23 -1.08 4.01 0.14 -4.88 118.16 105.53 2ctm n LYS 47 Ca 0.06 0.78 -0.24 0.00 -0.51 0.00 0.00 58.31 58.41 2ctm n LYS 47 Cb 0.30 -5.63 -0.07 0.00 -0.51 0.00 0.00 35.03 29.11 2ctm n LYS 47 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2ctm s VAL 48 N -3.31 3.01 -0.28 -0.18 -7.23 0.20 -4.84 120.40 107.76 2ctm s VAL 48 Ca 0.29 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2ctm s VAL 48 Cb -0.13 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 33.99 2ctm s VAL 48 CO 0.68 -0.24 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.55 2ctm s ASP 49 N -3.76 4.67 -0.30 4.85 2.15 -0.45 -4.33 116.67 119.51 2ctm s ASP 49 Ca 0.35 -1.36 -0.21 0.00 0.43 0.00 0.00 52.55 51.77 2ctm s ASP 49 Cb -0.03 -1.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.95 2ctm s ASP 49 CO 0.21 -0.23 0.64 -0.63 -0.17 0.00 0.00 175.17 174.99 2ctm s ILE 50 N 1.17 4.93 -0.34 4.11 1.01 -1.26 -0.46 121.20 130.36 2ctm s ILE 50 Ca -0.07 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 61.42 2ctm s ILE 50 Cb -0.20 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2ctm s ILE 50 CO -0.03 -0.12 0.16 -0.60 0.00 0.00 0.00 174.94 174.34 2ctm s ARG 51 N 2.62 2.95 0.39 2.79 3.00 0.46 -4.96 118.95 126.20 2ctm s ARG 51 Ca 0.26 -0.98 -0.18 0.00 -1.00 0.00 0.00 55.73 53.83 2ctm s ARG 51 Cb -0.15 -3.59 -0.10 0.00 0.00 0.00 0.00 34.95 31.12 2ctm s ARG 51 CO 0.11 -0.59 0.86 -0.06 0.00 0.00 0.00 175.30 175.62 2ctm s PHE 52 N 1.53 3.34 0.06 5.12 0.08 -1.26 -0.54 117.98 126.31 2ctm s PHE 52 Ca 0.02 1.43 -0.31 0.00 0.12 0.00 0.00 56.93 58.19 2ctm s PHE 52 Cb -0.18 -2.71 -0.07 0.00 -0.57 0.00 0.00 43.02 39.49 2ctm s PHE 52 CO 0.05 -0.03 1.40 -1.25 -0.10 0.00 0.00 175.22 175.29 2ctm s PRO 53 N -3.13 4.30 0.63 0.24 0.04 -1.25 -4.94 135.00 130.89 2ctm s PRO 53 Ca 0.58 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.56 2ctm s PRO 53 Cb -0.10 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 2ctm s PRO 53 CO 0.16 -0.50 0.98 -0.65 0.04 0.00 0.00 177.00 177.03 2ctm s GLN 54 N 1.73 3.05 0.59 4.56 -1.52 -1.26 -4.86 119.66 121.95 2ctm s GLN 54 Ca 0.64 0.30 0.30 0.00 -1.95 0.00 0.00 55.36 54.66 2ctm s GLN 54 Cb -0.34 -2.16 1.29 0.00 -0.22 0.00 0.00 33.01 31.58 2ctm s GLN 54 CO 0.29 -0.77 1.64 0.77 -0.25 0.00 0.00 175.29 176.97 2ctm h SER 55 N -0.35 0.00 -0.74 5.90 0.02 -2.01 0.94 113.55 117.31 2ctm h SER 55 Ca -0.45 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.07 2ctm h SER 55 Cb 1.24 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.54 2ctm h SER 55 CO 0.62 0.00 0.29 0.61 -1.14 0.00 0.00 176.83 177.21 2ctm n GLY 56 N -1.64 5.06 3.91 -3.77 0.00 -1.26 -4.99 105.19 102.50 2ctm n GLY 56 Ca 0.18 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 3.95 0.29 4.61 0.00 0.32 -5.01 121.76 122.53 2ctm s ALA 57 Ca 0.53 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.81 2ctm s ALA 57 Cb 0.45 -1.91 0.45 0.00 0.00 0.00 0.00 23.12 22.12 2ctm s ALA 57 CO 0.04 0.78 1.69 -1.00 0.00 0.00 0.00 175.76 177.27 2ctm h PRO 58 N 3.15 0.17 -3.23 0.00 0.13 -1.94 -3.38 132.00 126.89 2ctm h PRO 58 Ca -0.46 -0.09 -0.63 0.00 -0.87 0.00 0.00 66.00 63.96 2ctm h PRO 58 Cb 1.17 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 2ctm h PRO 58 CO 0.74 0.60 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.92 2ctm s ASP 59 N -6.89 4.02 0.00 1.44 1.11 -1.26 -4.94 116.67 110.16 2ctm s ASP 59 Ca -0.04 -2.81 0.15 0.00 0.18 0.00 0.00 52.55 50.04 2ctm s ASP 59 Cb 0.13 -1.36 0.78 0.00 1.07 0.00 0.00 42.92 43.54 2ctm s ASP 59 CO 0.77 -0.25 1.40 -0.81 1.18 0.00 0.00 175.17 177.45 2ctm n PRO 60 N 3.35 0.25 -0.06 8.23 -0.04 -1.26 -1.97 135.00 143.50 2ctm n PRO 60 Ca 0.06 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2ctm n PRO 60 Cb 0.33 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.24 2.30 -4.15 3.54 0.23 -1.26 -4.58 115.26 110.09 2ctm n ASN 61 Ca 0.08 -2.46 -0.24 0.00 -0.53 0.00 0.00 54.58 51.43 2ctm n ASN 61 Cb 0.11 -0.20 -0.15 0.00 -2.08 0.00 0.00 39.78 37.45 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 -0.40 2.38 -0.45 0.00 -7.23 -0.58 -3.85 120.40 110.26 2ctm s VAL 63 Ca 0.06 -1.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 2ctm s VAL 63 Cb -0.06 -1.89 0.06 0.00 0.56 0.00 0.00 36.38 35.04 2ctm s VAL 63 CO -0.01 0.50 0.36 -0.89 -0.31 0.00 0.00 175.10 174.76 2ctm s THR 64 N -0.72 5.14 -0.07 5.32 2.01 0.29 -1.08 115.64 126.54 2ctm s THR 64 Ca 0.11 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 2ctm s THR 64 Cb -0.10 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2ctm s THR 64 CO 0.01 -0.51 0.33 -0.69 -0.69 0.00 0.00 174.62 173.08 2ctm s VAL 65 N 1.63 5.20 0.04 3.82 1.01 -0.40 -0.40 120.40 131.30 2ctm s VAL 65 Ca 0.04 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.74 2ctm s VAL 65 Cb -0.23 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2ctm s VAL 65 CO 0.07 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2ctm s THR 66 N -0.63 3.10 0.00 3.92 2.01 0.40 -1.12 115.64 123.32 2ctm s THR 66 Ca 0.21 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2ctm s THR 66 Cb -0.15 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.01 2ctm s THR 66 CO 0.09 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2ctm n GLY 67 N 1.39 4.18 2.82 4.40 0.00 -1.13 -1.34 105.19 115.51 2ctm n GLY 67 Ca -0.15 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.77 0.25 0.99 7.99 -1.26 -1.96 117.00 119.23 2ctm n LEU 68 Ca 0.00 0.47 0.14 0.00 -0.01 0.00 0.00 56.01 56.61 2ctm n LEU 68 Cb 0.00 -0.73 0.60 0.00 -0.11 0.00 0.00 43.42 43.18 2ctm n LEU 68 CO 0.00 -4.52 0.91 1.55 -1.51 0.00 0.00 177.39 173.82 2ctm h PRO 69 N -0.23 0.00 0.00 3.23 0.13 -1.89 -0.00 132.00 133.24 2ctm h PRO 69 Ca -0.37 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 2ctm h PRO 69 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2ctm h PRO 69 CO 0.33 0.12 -1.30 1.05 -0.23 0.00 0.00 178.00 177.97 2ctm h GLU 70 N 0.00 0.00 0.07 0.86 4.11 -2.00 -3.23 114.58 114.40 2ctm h GLU 70 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 2ctm h GLU 70 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2ctm h GLU 70 CO 0.02 0.37 -1.68 -0.91 0.07 0.00 0.00 179.01 176.88 2ctm h ASN 71 N 0.00 0.24 -0.02 3.06 2.35 -1.83 -3.34 115.58 116.05 2ctm h ASN 71 Ca -0.15 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.17 2ctm h ASN 71 Cb 1.62 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.91 2ctm h ASN 71 CO 0.06 1.37 0.00 0.58 -1.65 0.00 0.00 177.43 177.79 2ctm h VAL 72 N 0.04 1.24 -1.00 2.81 2.07 -1.15 -2.05 116.25 118.21 2ctm h VAL 72 Ca -0.29 -0.72 0.21 0.00 0.82 0.00 0.00 66.70 66.73 2ctm h VAL 72 Cb 2.01 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 33.37 2ctm h VAL 72 CO 0.11 0.19 0.61 1.05 0.02 0.00 0.00 177.57 179.56 2ctm h GLU 73 N -0.27 0.64 -0.23 1.57 4.11 -1.73 0.13 114.58 118.80 2ctm h GLU 73 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 2ctm h GLU 73 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2ctm h GLU 73 CO 0.00 0.42 -0.60 0.93 0.07 0.00 0.00 179.01 179.84 2ctm h GLU 74 N 0.66 0.77 -0.21 1.06 5.08 -1.65 -3.16 114.58 117.13 2ctm h GLU 74 Ca 0.59 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2ctm h GLU 74 Cb 1.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2ctm h GLU 74 CO -0.39 1.14 0.09 0.00 -1.00 0.00 0.00 179.01 178.85 2ctm h ALA 75 N 0.74 0.27 -0.23 3.43 0.00 -0.10 -3.04 119.26 120.34 2ctm h ALA 75 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2ctm h ALA 75 Cb 1.19 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2ctm h ALA 75 CO 0.13 -0.14 -0.35 0.82 0.00 0.00 0.00 179.25 179.71 2ctm h ILE 76 N 0.19 0.23 -1.02 0.00 2.04 -1.01 0.30 117.51 118.24 2ctm h ILE 76 Ca 0.07 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.18 2ctm h ILE 76 Cb 0.17 0.23 -0.11 0.00 -0.74 0.00 0.00 36.82 36.37 2ctm h ILE 76 CO -0.01 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 177.99 2ctm h ASP 77 N -0.37 0.60 0.00 1.72 3.58 -1.51 0.41 116.42 120.85 2ctm h ASP 77 Ca 0.12 0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.55 2ctm h ASP 77 Cb 0.56 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2ctm h ASP 77 CO -0.43 0.11 -0.43 -0.74 -2.88 0.00 0.00 179.24 174.87 2ctm h HIS 78 N 0.53 0.63 0.18 0.28 2.76 -0.89 -2.19 115.15 116.45 2ctm h HIS 78 Ca 0.63 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.60 2ctm h HIS 78 Cb 1.31 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2ctm h HIS 78 CO -0.00 0.87 -0.09 0.82 -1.30 0.00 0.00 177.93 178.23 2ctm h ILE 79 N 0.43 0.92 -0.06 6.26 2.04 0.12 -2.92 117.51 124.29 2ctm h ILE 79 Ca 0.03 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2ctm h ILE 79 Cb 0.93 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2ctm h ILE 79 CO 0.08 0.13 -0.04 -0.07 0.00 0.00 0.00 178.15 178.25 2ctm h LEU 80 N -0.52 0.08 -0.46 1.44 3.38 -1.24 -0.89 115.31 117.10 2ctm h LEU 80 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ctm h LEU 80 Cb 0.40 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2ctm h LEU 80 CO 0.04 0.14 0.30 -1.13 0.09 0.00 0.00 178.44 177.88 2ctm h ASN 81 N 0.09 0.50 0.91 -0.43 -1.24 -1.23 -2.60 115.58 111.58 2ctm h ASN 81 Ca 0.02 -0.01 -0.20 0.00 0.71 0.00 0.00 56.30 56.83 2ctm h ASN 81 Cb 0.14 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2ctm h ASN 81 CO 0.01 0.36 -0.93 -0.07 -1.29 0.00 0.00 177.43 175.51 2ctm h LEU 82 N 0.60 0.01 -0.75 0.34 3.38 -1.27 -3.17 115.31 114.46 2ctm h LEU 82 Ca 0.17 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.27 2ctm h LEU 82 Cb -0.05 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 2ctm h LEU 82 CO -0.05 0.93 0.30 -0.08 0.09 0.00 0.00 178.44 179.63 2ctm h GLU 83 N 0.00 0.43 -0.01 1.13 4.81 -0.79 0.97 114.58 121.13 2ctm h GLU 83 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2ctm h GLU 83 Cb 1.63 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.92 2ctm h GLU 83 CO 0.12 0.28 -0.04 0.93 -0.73 0.00 0.00 179.01 179.58 2ctm h GLU 84 N 0.44 0.04 -1.00 1.92 4.39 -1.58 -1.97 114.58 116.82 2ctm h GLU 84 Ca 0.41 -0.03 0.20 0.00 0.34 0.00 0.00 59.36 60.28 2ctm h GLU 84 Cb 0.63 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.18 2ctm h GLU 84 CO -0.41 0.72 0.61 1.49 -1.16 0.00 0.00 179.01 180.27 2ctm h GLU 85 N -0.64 0.68 -0.02 2.33 4.57 -1.40 -1.07 114.58 119.04 2ctm h GLU 85 Ca -0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2ctm h GLU 85 Cb 0.73 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2ctm h GLU 85 CO 0.01 0.45 -0.14 1.88 -1.18 0.00 0.00 179.01 180.03 2ctm h TYR 86 N 0.70 0.18 -1.00 0.92 0.05 -0.86 -3.24 116.97 113.71 2ctm h TYR 86 Ca 0.58 -0.08 0.23 0.00 0.05 0.00 0.00 58.73 59.51 2ctm h TYR 86 Cb 0.99 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 38.60 2ctm h TYR 86 CO -0.00 0.81 0.63 -0.07 -1.05 0.00 0.00 178.16 178.48 2ctm h LEU 87 N -0.51 0.58 -1.90 3.88 3.38 -0.50 0.28 115.31 120.52 2ctm h LEU 87 Ca -0.01 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.30 2ctm h LEU 87 Cb 0.84 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2ctm h LEU 87 CO 0.03 0.16 0.72 0.00 0.09 0.00 0.00 178.44 179.44 2ctm h ALA 88 N 1.64 2.74 -0.12 1.53 0.00 -1.26 -1.51 119.26 122.29 2ctm h ALA 88 Ca 0.58 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.27 2ctm h ALA 88 Cb 1.23 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2ctm h ALA 88 CO -0.33 -1.17 -0.09 -3.47 0.00 0.00 0.00 179.25 174.20 2ctm n ASP 89 N -3.96 5.56 -2.34 0.00 2.03 0.97 -4.26 116.55 114.55 2ctm n ASP 89 Ca 0.18 -2.61 -0.21 0.00 0.52 0.00 0.00 54.79 52.67 2ctm n ASP 89 Cb 1.02 -1.27 0.02 0.00 -0.72 0.00 0.00 41.12 40.17 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ctm n SER 90 N 1.77 4.12 0.00 1.67 2.88 -0.57 -5.06 113.62 118.43 2ctm n SER 90 Ca 0.29 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 2ctm n SER 90 Cb 0.71 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2ctm n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctm n GLY 91 N -0.55 -0.52 3.71 0.46 0.00 -1.26 -5.13 105.19 101.90 2ctm n GLY 91 Ca 0.34 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.28 4.32 -0.22 1.61 0.04 -1.26 -4.94 135.00 133.26 2ctm s PRO 92 Ca 0.00 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2ctm s PRO 92 Cb 0.00 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2ctm s PRO 92 CO 0.00 -0.45 -0.35 0.45 0.04 0.00 0.00 177.00 176.69 2ctm n SER 93 N 4.24 1.92 -3.67 6.66 2.88 -1.26 -5.04 113.62 119.35 2ctm n SER 93 Ca 0.12 0.33 -0.09 0.00 -1.33 0.00 0.00 58.87 57.89 2ctm n SER 93 Cb 0.43 -0.76 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 2ctm n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctm s SER 94 N -6.66 -0.69 0.00 -3.46 1.04 -1.26 -5.25 113.70 97.42 2ctm s SER 94 Ca -0.33 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2ctm s SER 94 Cb 0.09 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2ctm s SER 94 CO 0.45 -0.21 0.50 0.61 0.98 0.00 0.00 173.24 175.57