#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 0.35 -4.06 1.61 7.64 -1.26 -4.95 113.62 112.95 2ctm n SER 2 Ca 0.00 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.94 2ctm n SER 2 Cb 0.00 -0.89 -0.11 0.00 -1.01 0.00 0.00 64.21 62.20 2ctm n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctm s SER 3 N 0.88 0.57 0.00 6.43 0.15 -1.26 -5.12 113.70 115.35 2ctm s SER 3 Ca 0.94 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2ctm s SER 3 Cb -1.32 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2ctm s SER 3 CO 0.63 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2ctm n GLY 4 N 0.75 -0.61 3.97 9.45 0.00 -1.26 -4.82 105.19 112.67 2ctm n GLY 4 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.74 5.59 0.12 1.61 1.04 -1.26 -5.03 113.70 113.03 2ctm s SER 5 Ca 0.00 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.82 2ctm s SER 5 Cb 0.00 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 2ctm s SER 5 CO 0.00 -0.62 1.71 0.77 0.98 0.00 0.00 173.24 176.08 2ctm h SER 6 N 0.83 0.36 0.00 7.02 4.64 -2.05 -3.49 113.55 120.86 2ctm h SER 6 Ca -0.42 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2ctm h SER 6 Cb 1.27 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ctm h SER 6 CO 0.50 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 2ctm n GLY 7 N -0.91 -0.13 2.72 -0.77 0.00 -1.26 -5.13 105.19 99.71 2ctm n GLY 7 Ca -0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2ctm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctm n ARG 8 N 0.00 -3.02 -2.90 1.61 5.12 -1.26 -5.09 116.66 111.12 2ctm n ARG 8 Ca 0.00 -1.34 -0.04 0.00 -1.93 0.00 0.00 57.85 54.54 2ctm n ARG 8 Cb 0.00 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 29.98 2ctm n ARG 8 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2ctm n ILE 9 N -4.55 0.00 -0.02 0.55 -5.35 -1.26 -5.08 119.36 103.65 2ctm n ILE 9 Ca 0.12 -0.53 -0.03 0.00 -0.27 0.00 0.00 62.75 62.04 2ctm n ILE 9 Cb 0.47 0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 2ctm n ILE 9 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2ctm n VAL 10 N -0.40 0.20 -0.25 7.28 0.31 -1.26 -4.99 118.33 119.22 2ctm n VAL 10 Ca -0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2ctm n VAL 10 Cb 0.39 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 3.28 -3.35 3.89 2.92 0.00 -1.26 -4.81 105.19 105.86 2ctm n GLY 11 Ca -0.06 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.82 3.38 0.01 1.61 0.41 -1.26 -5.02 118.70 117.02 2ctm s GLU 12 Ca 0.00 -0.35 -0.05 0.00 -0.41 0.00 0.00 54.97 54.15 2ctm s GLU 12 Cb 0.00 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.27 2ctm s GLU 12 CO 0.00 0.67 1.09 1.25 -0.49 0.00 0.00 175.26 177.77 2ctm h LEU 13 N 3.81 -0.23 -1.02 1.80 6.46 -1.96 -0.47 115.31 123.70 2ctm h LEU 13 Ca -0.49 0.02 0.29 0.00 -0.12 0.00 0.00 57.88 57.59 2ctm h LEU 13 Cb 1.18 0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 41.06 2ctm h LEU 13 CO 0.68 -0.09 0.59 -0.33 -0.62 0.00 0.00 178.44 178.67 2ctm h GLU 14 N -0.13 0.41 -0.57 1.25 5.08 -2.04 0.31 114.58 118.88 2ctm h GLU 14 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ctm h GLU 14 Cb 0.12 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2ctm h GLU 14 CO -0.03 0.27 0.37 1.96 -1.00 0.00 0.00 179.01 180.58 2ctm h GLN 15 N 0.42 0.73 -6.07 2.33 1.08 -1.82 -3.44 115.11 108.35 2ctm h GLN 15 Ca 0.70 -0.04 -0.62 0.00 -1.45 0.00 0.00 58.65 57.24 2ctm h GLN 15 Cb 1.52 -0.17 0.16 0.00 -0.05 0.00 0.00 27.48 28.95 2ctm h GLN 15 CO -0.54 0.48 -0.86 -1.33 -0.95 0.00 0.00 178.83 175.63 2ctm n MET 16 N -4.70 0.10 -4.92 1.46 2.81 0.11 -4.82 117.12 107.15 2ctm n MET 16 Ca 0.04 0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.71 2ctm n MET 16 Cb 0.03 -1.10 -0.16 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.50 -0.33 2.03 -7.23 0.05 -4.84 120.40 109.92 2ctm s VAL 17 Ca 0.60 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.80 2ctm s VAL 17 Cb -0.62 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2ctm s VAL 17 CO 0.62 0.43 0.44 -0.94 -0.31 0.00 0.00 175.10 175.33 2ctm s SER 18 N -0.41 6.27 0.24 4.85 1.04 -1.26 -2.44 113.70 121.99 2ctm s SER 18 Ca 0.06 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.57 2ctm s SER 18 Cb -0.08 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 2ctm s SER 18 CO -0.00 -0.38 -0.06 -1.61 0.98 0.00 0.00 173.24 172.17 2ctm s GLU 19 N 2.21 2.13 -0.14 4.02 0.41 -0.50 -4.96 118.70 121.87 2ctm s GLU 19 Ca 0.16 -1.43 -0.04 0.00 -0.41 0.00 0.00 54.97 53.26 2ctm s GLU 19 Cb -0.16 -2.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 2ctm s GLU 19 CO 0.12 0.38 -0.01 -0.51 -0.49 0.00 0.00 175.26 174.75 2ctm s ASP 20 N -3.39 5.03 -0.13 -0.19 1.11 -1.26 -0.77 116.67 117.06 2ctm s ASP 20 Ca 0.29 -0.03 0.02 0.00 0.18 0.00 0.00 52.55 53.01 2ctm s ASP 20 Cb -0.07 -1.72 0.02 0.00 1.07 0.00 0.00 42.92 42.21 2ctm s ASP 20 CO 0.18 0.22 -0.18 -0.69 1.18 0.00 0.00 175.17 175.88 2ctm s VAL 21 N 0.05 1.75 -0.56 -1.27 1.01 0.27 -4.95 120.40 116.68 2ctm s VAL 21 Ca 0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 2ctm s VAL 21 Cb -0.13 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2ctm s VAL 21 CO 0.02 0.49 1.84 -2.16 0.00 0.00 0.00 175.10 175.29 2ctm s PRO 22 N 1.06 2.76 -0.13 2.72 0.04 -1.26 -1.15 135.00 139.04 2ctm s PRO 22 Ca -0.03 0.74 0.03 0.00 0.04 0.00 0.00 61.00 61.78 2ctm s PRO 22 Cb -0.14 -4.35 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2ctm s PRO 22 CO -0.05 -2.57 -0.22 -1.17 0.04 0.00 0.00 177.00 173.04 2ctm s LEU 23 N 8.65 2.06 0.28 -3.56 2.96 -0.07 -4.99 118.68 124.01 2ctm s LEU 23 Ca 0.69 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 2ctm s LEU 23 Cb -0.14 -1.40 -0.10 0.00 0.50 0.00 0.00 46.19 45.06 2ctm s LEU 23 CO 0.23 0.09 1.25 -0.62 -1.32 0.00 0.00 176.35 175.97 2ctm s ASP 24 N 0.75 6.95 0.61 3.68 2.15 -1.26 -3.97 116.67 125.58 2ctm s ASP 24 Ca -0.09 2.48 0.37 0.00 0.43 0.00 0.00 52.55 55.75 2ctm s ASP 24 Cb -0.16 -2.63 1.95 0.00 -0.30 0.00 0.00 42.92 41.78 2ctm s ASP 24 CO -0.00 -0.42 2.22 -0.74 -0.17 0.00 0.00 175.17 176.06 2ctm h HIS 25 N 4.07 0.00 0.00 -5.34 -0.00 -1.88 -0.87 115.15 111.13 2ctm h HIS 25 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2ctm h HIS 25 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 2ctm h HIS 25 CO 0.58 0.03 0.00 0.00 -0.00 0.00 0.00 177.93 178.54 2ctm h ARG 26 N 0.00 0.00 0.00 5.26 2.47 -1.95 -2.88 114.38 117.28 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 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2ctm h ARG 26 CO 0.00 0.00 -0.90 1.33 0.56 0.00 0.00 179.97 180.96 2ctm n VAL 27 N -2.60 0.00 -0.08 2.04 0.24 -0.42 -4.66 118.33 112.85 2ctm n VAL 27 Ca 0.01 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.34 62.08 2ctm n VAL 27 Cb 0.21 0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.00 -0.39 -0.52 6.34 3.86 -1.07 0.24 115.15 123.61 2ctm h HIS 28 Ca 0.00 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2ctm h HIS 28 Cb 0.18 0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 2ctm h HIS 28 CO 0.00 -0.08 0.21 0.00 0.86 0.00 0.00 177.93 178.92 2ctm h ALA 29 N -0.75 0.65 -1.13 2.45 0.00 -1.87 0.16 119.26 118.77 2ctm h ALA 29 Ca 0.03 0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.32 2ctm h ALA 29 Cb 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2ctm h ALA 29 CO -0.18 -0.18 0.80 0.00 0.00 0.00 0.00 179.25 179.69 2ctm h ARG 30 N 0.40 0.06 0.00 0.00 -0.00 -1.39 -0.97 114.38 112.48 2ctm h ARG 30 Ca 0.25 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.50 2ctm h ARG 30 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.17 2ctm h ARG 30 CO -0.24 0.04 -1.37 -0.89 0.00 0.00 0.00 179.97 177.52 2ctm n ILE 31 N -4.26 1.51 -0.29 2.04 5.41 -0.09 -4.42 119.36 119.26 2ctm n ILE 31 Ca 0.25 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.95 2ctm n ILE 31 Cb 1.16 -2.08 0.06 0.00 -0.71 0.00 0.00 39.64 38.07 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 -1.00 0.12 -0.12 1.39 2.04 -0.10 -3.23 117.51 116.61 2ctm h ILE 32 Ca -0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ctm h ILE 32 Cb 1.22 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2ctm h ILE 32 CO -0.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.55 2ctm n GLY 33 N -1.49 0.29 0.28 5.37 0.00 -0.43 -2.87 105.19 106.34 2ctm n GLY 33 Ca 0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 2.19 -0.22 0.13 4.61 0.00 -1.26 0.19 120.51 126.15 2ctm n ALA 34 Ca 0.00 0.66 0.01 0.00 0.00 0.00 0.00 53.44 54.11 2ctm n ALA 34 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.99 -3.48 114.38 108.91 2ctm h ARG 35 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 2ctm h ARG 35 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2ctm h ARG 35 CO -0.68 0.55 0.00 0.41 0.00 0.00 0.00 179.97 180.25 2ctm n GLY 36 N 1.24 1.05 0.09 0.04 0.00 0.51 -4.99 105.19 103.14 2ctm n GLY 36 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2ctm n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctm n LYS 37 N -1.92 0.66 -0.16 1.61 4.01 -1.25 -3.58 118.16 117.54 2ctm n LYS 37 Ca 0.00 0.28 0.09 0.00 -0.51 0.00 0.00 58.31 58.17 2ctm n LYS 37 Cb 0.03 -1.76 0.41 0.00 -0.51 0.00 0.00 35.03 33.19 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ctm h ALA 38 N 0.79 1.83 0.00 7.82 0.00 -1.78 -0.40 119.26 127.52 2ctm h ALA 38 Ca -0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2ctm h ALA 38 Cb 2.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2ctm h ALA 38 CO 0.08 0.03 -0.68 0.97 0.00 0.00 0.00 179.25 179.65 2ctm h ILE 39 N 0.63 0.51 -0.06 0.00 6.09 -1.54 -3.28 117.51 119.86 2ctm h ILE 39 Ca 0.32 -1.79 -0.02 0.00 -1.37 0.00 0.00 64.86 62.00 2ctm h ILE 39 Cb 0.42 2.14 -0.00 0.00 0.47 0.00 0.00 36.82 39.85 2ctm h ILE 39 CO -0.11 0.29 -0.03 -0.09 -3.07 0.00 0.00 178.15 175.15 2ctm h ARG 40 N 0.00 0.13 -0.56 2.19 9.65 -1.15 -2.57 114.38 122.06 2ctm h ARG 40 Ca -0.04 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2ctm h ARG 40 Cb 1.31 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.85 2ctm h ARG 40 CO 0.04 0.50 0.34 1.57 2.80 0.00 0.00 179.97 185.22 2ctm h LYS 41 N -0.24 0.66 -0.91 0.20 2.10 -1.48 -1.29 116.57 115.61 2ctm h LYS 41 Ca 0.01 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2ctm h LYS 41 Cb 0.46 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 31.58 2ctm h LYS 41 CO 0.01 0.44 0.58 0.82 -2.00 0.00 0.00 179.45 179.29 2ctm h ILE 42 N 0.68 1.10 0.38 0.07 2.04 -1.60 0.35 117.51 120.53 2ctm h ILE 42 Ca 0.22 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2ctm h ILE 42 Cb 0.01 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 2ctm h ILE 42 CO -0.09 0.20 -0.18 0.24 0.00 0.00 0.00 178.15 178.31 2ctm h MET 43 N 1.09 -0.50 -0.74 2.37 2.86 -0.99 -3.09 114.93 115.92 2ctm h MET 43 Ca 0.38 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 58.07 2ctm h MET 43 Cb 0.09 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2ctm h MET 43 CO -0.15 -0.20 0.49 -0.44 1.06 0.00 0.00 176.91 177.68 2ctm h ASP 44 N -0.80 0.84 -0.33 1.22 3.32 -1.06 1.23 116.42 120.84 2ctm h ASP 44 Ca -0.05 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.05 2ctm h ASP 44 Cb 0.53 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 2ctm h ASP 44 CO 0.09 0.60 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.78 2ctm h GLU 45 N 0.99 -0.30 -0.34 3.56 4.57 -0.25 -1.70 114.58 121.11 2ctm h GLU 45 Ca 0.28 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2ctm h GLU 45 Cb -0.09 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2ctm h GLU 45 CO -0.06 -0.20 0.00 1.19 -1.18 0.00 0.00 179.01 178.76 2ctm n PHE 46 N -5.42 0.43 -3.57 0.92 3.01 -1.08 -4.96 117.46 106.79 2ctm n PHE 46 Ca -0.00 -0.23 -0.22 0.00 1.01 0.00 0.00 57.45 58.01 2ctm n PHE 46 Cb 0.34 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.89 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 1.42 -7.40 -4.47 -1.08 4.76 0.38 -4.88 118.16 106.90 2ctm n LYS 47 Ca 0.18 0.82 -0.26 0.00 -2.87 0.00 0.00 58.31 56.18 2ctm n LYS 47 Cb 0.59 -5.84 -0.10 0.00 -1.84 0.00 0.00 35.03 27.84 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 -3.34 2.31 -0.32 -0.18 -7.23 0.12 -4.91 120.40 106.85 2ctm s VAL 48 Ca 0.41 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 2ctm s VAL 48 Cb -0.18 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 34.06 2ctm s VAL 48 CO 0.74 -0.15 0.02 -1.81 -0.31 0.00 0.00 175.10 173.59 2ctm s ASP 49 N -3.68 4.70 -0.10 4.85 1.11 -0.93 -4.41 116.67 118.22 2ctm s ASP 49 Ca 0.34 -2.01 -0.25 0.00 0.18 0.00 0.00 52.55 50.81 2ctm s ASP 49 Cb 0.03 -1.61 -0.03 0.00 1.07 0.00 0.00 42.92 42.38 2ctm s ASP 49 CO 0.18 -0.34 0.81 -0.63 1.18 0.00 0.00 175.17 176.37 2ctm s ILE 50 N 0.94 4.94 -0.25 0.77 1.01 -1.26 -0.71 121.20 126.64 2ctm s ILE 50 Ca 0.07 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.33 2ctm s ILE 50 Cb -0.19 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2ctm s ILE 50 CO -0.07 0.14 -0.03 -0.60 0.00 0.00 0.00 174.94 174.37 2ctm s ARG 51 N 1.42 3.01 0.31 2.79 6.06 0.32 -4.98 118.95 127.89 2ctm s ARG 51 Ca 0.41 -0.87 -0.13 0.00 -2.50 0.00 0.00 55.73 52.64 2ctm s ARG 51 Cb -0.18 -3.06 -0.08 0.00 0.06 0.00 0.00 34.95 31.69 2ctm s ARG 51 CO 0.17 -0.36 0.69 -0.06 -2.50 0.00 0.00 175.30 173.24 2ctm s PHE 52 N 1.39 3.40 -0.41 5.12 0.40 -1.26 -0.47 117.98 126.15 2ctm s PHE 52 Ca 0.02 1.09 -0.28 0.00 -0.60 0.00 0.00 56.93 57.16 2ctm s PHE 52 Cb -0.16 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 2ctm s PHE 52 CO -0.03 0.11 1.74 -1.25 0.70 0.00 0.00 175.22 176.49 2ctm s PRO 53 N -3.08 3.22 0.85 0.24 0.04 -1.25 -4.95 135.00 130.08 2ctm s PRO 53 Ca 0.52 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2ctm s PRO 53 Cb -0.10 -4.21 0.21 0.00 0.04 0.00 0.00 34.50 30.44 2ctm s PRO 53 CO 0.21 -2.00 0.69 1.04 0.04 0.00 0.00 177.00 176.98 2ctm n GLN 54 N 8.53 -2.79 0.00 4.56 6.02 -1.26 -4.80 117.38 127.65 2ctm n GLN 54 Ca 0.21 -1.11 -0.10 0.00 -0.01 0.00 0.00 57.00 55.99 2ctm n GLN 54 Cb 0.48 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.59 2ctm n GLN 54 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2ctm h SER 55 N -2.38 -0.64 -0.26 1.08 0.87 -2.02 -1.68 113.55 108.52 2ctm h SER 55 Ca -0.27 0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.22 2ctm h SER 55 Cb 0.84 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 63.02 2ctm h SER 55 CO 0.17 -0.26 0.20 0.61 -0.53 0.00 0.00 176.83 177.03 2ctm n GLY 56 N -1.34 3.35 3.88 5.77 0.00 -1.26 -4.90 105.19 110.69 2ctm n GLY 56 Ca -0.03 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.91 3.82 0.31 4.61 0.00 -0.63 -5.00 121.76 123.96 2ctm s ALA 57 Ca 0.19 -0.53 0.13 0.00 0.00 0.00 0.00 51.96 51.75 2ctm s ALA 57 Cb 0.14 -2.11 0.60 0.00 0.00 0.00 0.00 23.12 21.75 2ctm s ALA 57 CO -0.01 0.62 1.74 -1.00 0.00 0.00 0.00 175.76 177.12 2ctm h PRO 58 N 4.06 0.00 -3.11 0.00 0.13 -1.90 -3.39 132.00 127.79 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 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2ctm h PRO 58 CO 0.65 0.46 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.61 2ctm s ASP 59 N -6.82 3.68 0.00 1.44 1.01 -1.26 -4.96 116.67 109.75 2ctm s ASP 59 Ca -0.02 -2.23 0.15 0.00 0.71 0.00 0.00 52.55 51.17 2ctm s ASP 59 Cb 0.13 -0.88 0.90 0.00 1.01 0.00 0.00 42.92 44.08 2ctm s ASP 59 CO 0.73 -0.32 1.35 -0.81 0.21 0.00 0.00 175.17 176.33 2ctm n PRO 60 N 4.06 0.44 -0.02 8.23 -0.04 -1.26 -1.87 135.00 144.53 2ctm n PRO 60 Ca 0.06 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2ctm n PRO 60 Cb 0.37 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.05 1.98 -4.15 3.54 0.23 -1.26 -4.47 115.26 110.08 2ctm n ASN 61 Ca 0.11 -2.18 -0.22 0.00 -0.53 0.00 0.00 54.58 51.76 2ctm n ASN 61 Cb 0.06 -0.09 -0.14 0.00 -2.08 0.00 0.00 39.78 37.53 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 -0.57 2.40 -0.38 0.00 -7.23 -0.30 -3.85 120.40 110.47 2ctm s VAL 63 Ca 0.05 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2ctm s VAL 63 Cb -0.07 -2.16 0.09 0.00 0.56 0.00 0.00 36.38 34.81 2ctm s VAL 63 CO 0.00 -0.13 0.15 -0.89 -0.31 0.00 0.00 175.10 173.93 2ctm s THR 64 N -1.71 3.28 -0.21 5.32 2.01 0.37 -0.57 115.64 124.13 2ctm s THR 64 Ca 0.21 -1.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.18 2ctm s THR 64 Cb -0.08 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2ctm s THR 64 CO 0.10 -0.53 0.59 -0.69 -0.69 0.00 0.00 174.62 173.40 2ctm s VAL 65 N 1.19 5.04 0.11 3.82 1.01 0.05 -0.52 120.40 131.11 2ctm s VAL 65 Ca 0.05 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 2ctm s VAL 65 Cb -0.22 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2ctm s VAL 65 CO -0.03 0.11 0.30 -0.89 0.00 0.00 0.00 175.10 174.59 2ctm s THR 66 N 1.96 5.28 0.00 3.92 2.01 0.12 -1.41 115.64 127.52 2ctm s THR 66 Ca 0.26 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2ctm s THR 66 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2ctm s THR 66 CO 0.10 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2ctm n GLY 67 N 0.08 2.87 3.52 4.40 0.00 -1.02 -2.19 105.19 112.85 2ctm n GLY 67 Ca -0.04 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 1.75 0.14 0.99 7.99 -1.26 -0.77 117.00 125.85 2ctm n LEU 68 Ca 0.00 0.56 0.12 0.00 -0.01 0.00 0.00 56.01 56.68 2ctm n LEU 68 Cb 0.00 -1.30 0.51 0.00 -0.11 0.00 0.00 43.42 42.52 2ctm n LEU 68 CO 0.00 -2.77 0.87 1.55 -1.51 0.00 0.00 177.39 175.53 2ctm h PRO 69 N -0.66 0.00 0.00 3.23 0.13 -1.89 -0.14 132.00 132.67 2ctm h PRO 69 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 2ctm h PRO 69 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 2ctm h PRO 69 CO 0.42 0.00 -1.69 1.05 -0.23 0.00 0.00 178.00 177.55 2ctm h GLU 70 N 0.00 0.00 0.05 0.86 4.11 -2.01 -3.31 114.58 114.29 2ctm h GLU 70 Ca 0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.18 2ctm h GLU 70 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2ctm h GLU 70 CO 0.00 0.51 -1.30 -0.91 0.07 0.00 0.00 179.01 177.39 2ctm h ASN 71 N 0.00 0.18 0.18 3.06 2.35 -1.85 -3.37 115.58 116.12 2ctm h ASN 71 Ca -0.28 -0.73 0.01 0.00 -0.55 0.00 0.00 56.30 54.75 2ctm h ASN 71 Cb 2.01 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 40.28 2ctm h ASN 71 CO 0.08 1.54 -0.49 0.58 -1.65 0.00 0.00 177.43 177.49 2ctm h VAL 72 N -0.63 0.00 -0.87 2.81 2.07 -1.23 -1.63 116.25 116.78 2ctm h VAL 72 Ca -0.31 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.48 2ctm h VAL 72 Cb 1.52 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.13 2ctm h VAL 72 CO -0.07 0.00 0.14 -1.84 0.02 0.00 0.00 177.57 175.82 2ctm n GLU 73 N -5.29 -0.06 0.04 1.57 0.28 -1.25 0.76 120.64 116.69 2ctm n GLU 73 Ca -0.09 1.27 -0.13 0.00 -0.16 0.00 0.00 57.16 58.06 2ctm n GLU 73 Cb 0.40 -2.09 -0.09 0.00 1.43 0.00 0.00 31.44 31.09 2ctm n GLU 73 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2ctm h GLU 74 N 0.00 -0.07 -0.55 3.44 5.08 -1.49 -3.03 114.58 117.95 2ctm h GLU 74 Ca 0.58 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.06 2ctm h GLU 74 Cb 1.31 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 2ctm h GLU 74 CO -0.78 0.22 -0.09 0.00 -1.00 0.00 0.00 179.01 177.36 2ctm h ALA 75 N 0.55 0.42 -0.40 3.43 0.00 0.12 -1.30 119.26 122.08 2ctm h ALA 75 Ca -0.01 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2ctm h ALA 75 Cb 0.33 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2ctm h ALA 75 CO 0.01 -0.42 -0.13 0.82 0.00 0.00 0.00 179.25 179.53 2ctm h ILE 76 N 0.03 0.54 -0.96 0.00 2.04 -1.16 -0.10 117.51 117.89 2ctm h ILE 76 Ca 0.27 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.33 2ctm h ILE 76 Cb 0.42 0.54 -0.11 0.00 -0.74 0.00 0.00 36.82 36.93 2ctm h ILE 76 CO -0.54 0.00 0.54 -0.78 0.00 0.00 0.00 178.15 177.37 2ctm h ASP 77 N -0.05 0.64 0.20 1.72 1.82 -1.12 0.23 116.42 119.86 2ctm h ASP 77 Ca 0.19 0.12 -0.16 0.00 -0.39 0.00 0.00 57.03 56.79 2ctm h ASP 77 Cb 0.34 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2ctm h ASP 77 CO -0.43 0.17 -0.59 -0.74 -1.61 0.00 0.00 179.24 176.04 2ctm h HIS 78 N 0.63 0.51 0.52 0.28 2.76 -0.77 -2.20 115.15 116.87 2ctm h HIS 78 Ca 0.57 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.53 2ctm h HIS 78 Cb 0.97 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.84 2ctm h HIS 78 CO -0.04 0.89 -0.25 0.82 -1.30 0.00 0.00 177.93 178.05 2ctm h ILE 79 N 0.30 0.31 -0.57 6.26 2.04 0.97 -3.03 117.51 123.79 2ctm h ILE 79 Ca -0.00 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.47 2ctm h ILE 79 Cb 1.12 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2ctm h ILE 79 CO 0.10 0.05 0.38 -0.07 0.00 0.00 0.00 178.15 178.61 2ctm h LEU 80 N -1.02 0.51 -0.63 1.44 3.38 -1.04 -1.76 115.31 116.19 2ctm h LEU 80 Ca -0.07 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2ctm h LEU 80 Cb 0.61 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2ctm h LEU 80 CO 0.12 0.34 0.26 -1.13 0.09 0.00 0.00 178.44 178.13 2ctm h ASN 81 N 0.59 0.30 0.78 -0.43 -1.24 -1.35 -1.27 115.58 112.96 2ctm h ASN 81 Ca 0.24 0.07 -0.17 0.00 0.71 0.00 0.00 56.30 57.15 2ctm h ASN 81 Cb 0.19 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2ctm h ASN 81 CO -0.07 0.18 -0.81 -0.07 -1.29 0.00 0.00 177.43 175.37 2ctm h LEU 82 N 0.47 0.03 -0.22 0.34 3.38 -1.25 -3.10 115.31 114.95 2ctm h LEU 82 Ca 0.31 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2ctm h LEU 82 Cb 0.36 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2ctm h LEU 82 CO -0.29 0.83 -0.25 -0.08 0.09 0.00 0.00 178.44 178.74 2ctm h GLU 83 N 0.01 -0.26 -0.28 1.13 4.81 -0.41 -0.05 114.58 119.54 2ctm h GLU 83 Ca -0.01 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2ctm h GLU 83 Cb 1.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 2ctm h GLU 83 CO 0.11 -0.17 -0.04 1.49 -0.73 0.00 0.00 179.01 179.67 2ctm h GLU 84 N -0.27 0.52 -0.99 1.92 4.22 -1.56 -1.22 114.58 117.20 2ctm h GLU 84 Ca 0.13 -0.19 0.20 0.00 0.08 0.00 0.00 59.36 59.58 2ctm h GLU 84 Cb 0.46 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 2ctm h GLU 84 CO -0.37 0.71 0.61 1.49 -2.18 0.00 0.00 179.01 179.27 2ctm h GLU 85 N 0.28 0.66 0.03 1.92 4.81 -1.35 -0.19 114.58 120.73 2ctm h GLU 85 Ca 0.07 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2ctm h GLU 85 Cb 0.50 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2ctm h GLU 85 CO 0.02 0.44 -0.28 1.88 -0.73 0.00 0.00 179.01 180.34 2ctm h TYR 86 N 0.68 0.24 -0.88 0.92 0.05 -0.86 -3.31 116.97 113.81 2ctm h TYR 86 Ca 0.56 -0.15 0.17 0.00 0.05 0.00 0.00 58.73 59.36 2ctm h TYR 86 Cb 0.98 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 38.60 2ctm h TYR 86 CO -0.00 1.02 0.44 -0.07 -1.05 0.00 0.00 178.16 178.50 2ctm h LEU 87 N -0.61 0.50 -1.24 3.88 3.38 -0.40 0.07 115.31 120.89 2ctm h LEU 87 Ca -0.04 0.11 0.41 0.00 0.09 0.00 0.00 57.88 58.44 2ctm h LEU 87 Cb 1.11 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 2ctm h LEU 87 CO 0.05 0.17 0.73 0.00 0.09 0.00 0.00 178.44 179.48 2ctm h ALA 88 N 1.61 2.45 -0.73 1.53 0.00 -1.15 0.18 119.26 123.15 2ctm h ALA 88 Ca 0.50 0.16 -0.46 0.00 0.00 0.00 0.00 54.91 55.11 2ctm h ALA 88 Cb 0.78 0.22 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 2ctm h ALA 88 CO -0.41 -1.11 -0.91 -3.47 0.00 0.00 0.00 179.25 173.36 2ctm n ASP 89 N -4.88 3.85 -3.32 0.00 -0.08 -0.05 -4.98 116.55 107.08 2ctm n ASP 89 Ca 0.36 -3.23 -0.01 0.00 -1.51 0.00 0.00 54.79 50.40 2ctm n ASP 89 Cb 1.30 -0.40 -0.04 0.00 2.34 0.00 0.00 41.12 44.33 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2ctm s SER 90 N -3.64 -0.86 0.00 1.67 0.15 0.64 -5.05 113.70 106.61 2ctm s SER 90 Ca 0.43 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2ctm s SER 90 Cb 0.39 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.56 2ctm s SER 90 CO -0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2ctm n GLY 91 N 5.41 3.42 3.76 9.45 0.00 -1.26 -4.52 105.19 121.45 2ctm n GLY 91 Ca -0.04 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.20 4.45 0.15 1.61 0.04 -1.26 -5.04 135.00 132.76 2ctm s PRO 92 Ca 0.00 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 2ctm s PRO 92 Cb 0.00 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.44 2ctm s PRO 92 CO 0.00 -0.07 0.43 0.45 0.04 0.00 0.00 177.00 177.85 2ctm s SER 93 N -0.49 -0.22 0.10 6.66 0.15 -1.26 -5.13 113.70 113.52 2ctm s SER 93 Ca 0.49 -0.40 -0.34 0.00 0.70 0.00 0.00 55.95 56.39 2ctm s SER 93 Cb -0.37 0.50 -0.18 0.00 -1.71 0.00 0.00 66.02 64.26 2ctm s SER 93 CO 0.47 -0.91 0.91 -1.20 1.20 0.00 0.00 173.24 173.70 2ctm n SER 94 N -0.26 -0.11 0.00 5.45 7.64 -1.26 -5.31 113.62 119.77 2ctm n SER 94 Ca -0.14 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2ctm n SER 94 Cb 0.63 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64