#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 0.38 -0.30 1.61 0.15 -1.26 -5.15 113.70 109.14 2ctm s SER 2 Ca 0.00 -0.90 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 2ctm s SER 2 Cb 0.00 0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.74 2ctm s SER 2 CO 0.00 -0.64 0.86 -0.94 1.20 0.00 0.00 173.24 173.72 2ctm s SER 3 N -2.91 -0.88 0.00 5.45 1.04 -1.26 -5.09 113.70 110.06 2ctm s SER 3 Ca 0.07 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2ctm s SER 3 Cb 0.07 1.68 0.00 0.00 0.10 0.00 0.00 66.02 67.87 2ctm s SER 3 CO -0.10 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2ctm n GLY 4 N 5.40 0.97 3.84 7.32 0.00 -1.26 -5.12 105.19 116.33 2ctm n GLY 4 Ca -0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 6.23 0.06 1.61 0.15 -1.26 -5.08 113.70 115.40 2ctm s SER 5 Ca 0.00 1.58 -0.10 0.00 0.70 0.00 0.00 55.95 58.14 2ctm s SER 5 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2ctm s SER 5 CO 0.00 -0.86 0.20 -0.55 1.20 0.00 0.00 173.24 173.23 2ctm s SER 6 N -3.39 0.05 -0.27 5.45 0.15 -1.26 -5.17 113.70 109.27 2ctm s SER 6 Ca 0.59 -0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.63 2ctm s SER 6 Cb -0.12 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2ctm s SER 6 CO 0.41 -0.63 0.67 -0.83 1.20 0.00 0.00 173.24 174.06 2ctm s GLY 7 N -2.37 -0.61 1.12 9.45 0.00 -1.26 -5.16 107.32 108.48 2ctm s GLY 7 Ca -0.01 2.35 -0.19 0.00 0.00 0.00 0.00 44.72 46.87 2ctm s GLY 7 CO -0.06 2.34 -0.02 0.54 0.00 0.00 0.00 173.10 175.90 2ctm n ARG 8 N 4.29 -1.71 -3.90 2.90 5.12 -1.26 -5.04 116.66 117.06 2ctm n ARG 8 Ca -0.20 -0.49 -0.09 0.00 -1.93 0.00 0.00 57.85 55.14 2ctm n ARG 8 Cb 0.59 -1.65 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 2ctm n ARG 8 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2ctm s ILE 9 N -2.20 0.00 -0.20 0.55 -5.25 -1.26 -5.09 121.20 107.75 2ctm s ILE 9 Ca 0.54 -1.17 -0.05 0.00 -0.99 0.00 0.00 60.65 58.98 2ctm s ILE 9 Cb -0.10 -2.42 -0.11 0.00 2.95 0.00 0.00 42.46 42.78 2ctm s ILE 9 CO 0.63 0.00 -0.23 0.52 -1.79 0.00 0.00 174.94 174.07 2ctm n VAL 10 N -0.48 1.12 -0.55 8.37 0.31 -1.26 -5.05 118.33 120.80 2ctm n VAL 10 Ca -0.04 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2ctm n VAL 10 Cb 0.60 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 2.07 -1.76 3.60 2.92 0.00 -1.26 -4.83 105.19 105.93 2ctm n GLY 11 Ca -0.38 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 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 2.37 0.10 1.61 2.02 -1.26 -5.05 118.70 118.50 2ctm s GLU 12 Ca 0.00 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 53.81 2ctm s GLU 12 Cb 0.00 -2.42 -0.12 0.00 0.10 0.00 0.00 34.13 31.69 2ctm s GLU 12 CO 0.00 0.55 1.50 -0.07 0.02 0.00 0.00 175.26 177.26 2ctm h LEU 13 N 3.94 -1.55 -0.57 1.80 3.38 -1.96 -1.08 115.31 119.28 2ctm h LEU 13 Ca -0.48 0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.76 2ctm h LEU 13 Cb 1.17 0.60 -0.08 0.00 0.09 0.00 0.00 40.66 42.44 2ctm h LEU 13 CO 0.54 -0.46 0.16 -0.33 0.09 0.00 0.00 178.44 178.45 2ctm h GLU 14 N -0.57 0.31 -0.84 1.13 5.08 -2.03 -1.15 114.58 116.50 2ctm h GLU 14 Ca 0.02 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2ctm h GLU 14 Cb 0.64 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 2ctm h GLU 14 CO -0.37 0.20 0.38 1.96 -1.00 0.00 0.00 179.01 180.19 2ctm h GLN 15 N 0.31 0.48 -6.47 2.33 1.08 -1.75 -3.42 115.11 107.67 2ctm h GLN 15 Ca 0.29 -0.03 -0.54 0.00 -1.45 0.00 0.00 58.65 56.93 2ctm h GLN 15 Cb 0.39 -0.11 0.23 0.00 -0.05 0.00 0.00 27.48 27.94 2ctm h GLN 15 CO -0.34 0.32 -1.12 -1.33 -0.95 0.00 0.00 178.83 175.41 2ctm n MET 16 N -4.97 -0.21 -4.10 1.46 2.81 -0.44 -4.75 117.12 106.92 2ctm n MET 16 Ca 0.18 -0.04 -0.16 0.00 -1.81 0.00 0.00 57.70 55.88 2ctm n MET 16 Cb 0.51 -1.51 -0.15 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.23 0.34 -0.22 2.03 -7.23 0.52 -4.81 120.40 108.80 2ctm s VAL 17 Ca 0.50 -0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 60.30 2ctm s VAL 17 Cb -0.19 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 2ctm s VAL 17 CO 0.73 0.11 0.65 -0.94 -0.31 0.00 0.00 175.10 175.34 2ctm s SER 18 N 0.04 6.67 0.24 4.85 1.04 -1.26 -2.09 113.70 123.18 2ctm s SER 18 Ca -0.00 0.81 0.11 0.00 0.48 0.00 0.00 55.95 57.35 2ctm s SER 18 Cb -0.03 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 2ctm s SER 18 CO -0.00 -0.34 -0.17 -1.61 0.98 0.00 0.00 173.24 172.10 2ctm s GLU 19 N 2.23 1.76 -0.24 4.02 0.41 0.60 -4.95 118.70 122.52 2ctm s GLU 19 Ca 0.29 -1.57 -0.06 0.00 -0.41 0.00 0.00 54.97 53.21 2ctm s GLU 19 Cb -0.16 -1.90 -0.02 0.00 -1.78 0.00 0.00 34.13 30.27 2ctm s GLU 19 CO 0.09 0.37 0.04 -0.51 -0.49 0.00 0.00 175.26 174.77 2ctm s ASP 20 N -3.15 4.91 -0.20 -0.19 1.01 -1.26 -0.64 116.67 117.14 2ctm s ASP 20 Ca 0.26 -0.26 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 2ctm s ASP 20 Cb -0.07 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2ctm s ASP 20 CO 0.14 -0.03 -0.11 -0.69 0.21 0.00 0.00 175.17 174.69 2ctm s VAL 21 N 1.58 2.85 -0.53 -1.27 1.01 0.14 -4.94 120.40 119.23 2ctm s VAL 21 Ca 0.06 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 2ctm s VAL 21 Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2ctm s VAL 21 CO 0.02 0.47 1.81 -2.16 0.00 0.00 0.00 175.10 175.24 2ctm s PRO 22 N 1.39 2.86 -0.22 2.72 0.04 -1.26 -1.08 135.00 139.45 2ctm s PRO 22 Ca 0.05 0.82 0.01 0.00 0.04 0.00 0.00 61.00 61.93 2ctm s PRO 22 Cb -0.14 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.12 2ctm s PRO 22 CO -0.07 -2.44 -0.14 -1.17 0.04 0.00 0.00 177.00 173.22 2ctm s LEU 23 N 8.29 2.80 0.24 -3.56 2.96 0.01 -4.95 118.68 124.47 2ctm s LEU 23 Ca 0.70 -0.95 -0.30 0.00 -0.22 0.00 0.00 54.13 53.35 2ctm s LEU 23 Cb -0.15 -1.54 -0.14 0.00 0.50 0.00 0.00 46.19 44.86 2ctm s LEU 23 CO 0.25 -0.09 1.17 -0.67 -1.32 0.00 0.00 176.35 175.68 2ctm n ASP 24 N 4.56 1.73 0.18 3.68 -0.08 -1.26 -4.21 116.55 121.16 2ctm n ASP 24 Ca -0.18 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.40 2ctm n ASP 24 Cb 0.47 -1.31 0.56 0.00 2.34 0.00 0.00 41.12 43.18 2ctm n ASP 24 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 2ctm h HIS 25 N 2.99 0.00 0.00 -0.67 -0.00 -1.86 -1.71 115.15 113.89 2ctm h HIS 25 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2ctm h HIS 25 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 2ctm h HIS 25 CO 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.45 2ctm h ARG 26 N 0.00 0.00 0.00 5.26 3.08 -1.95 -3.16 114.38 117.62 2ctm h ARG 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ctm h ARG 26 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ctm h ARG 26 CO 0.00 0.00 -0.74 1.33 -1.07 0.00 0.00 179.97 179.49 2ctm n VAL 27 N -2.94 0.00 -0.35 2.04 0.24 -0.91 -4.71 118.33 111.69 2ctm n VAL 27 Ca 0.02 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 2ctm n VAL 27 Cb 0.38 0.73 -0.08 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.41 -0.35 0.37 6.34 8.25 -0.69 -0.95 115.22 126.79 2ctm n HIS 28 Ca 0.00 1.06 -0.18 0.00 -0.26 0.00 0.00 57.72 58.34 2ctm n HIS 28 Cb 0.14 -0.58 -0.09 0.00 1.12 0.00 0.00 29.99 30.58 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 0.47 -0.92 -1.43 -1.41 0.00 -1.85 0.14 119.26 114.27 2ctm h ALA 29 Ca 0.15 -0.20 0.47 0.00 0.00 0.00 0.00 54.91 55.33 2ctm h ALA 29 Cb 0.36 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 2ctm h ALA 29 CO -0.80 -1.02 0.94 0.54 0.00 0.00 0.00 179.25 178.91 2ctm n ARG 30 N -5.49 -0.03 -0.10 0.00 5.12 -0.12 -0.18 116.66 115.87 2ctm n ARG 30 Ca -0.14 1.17 -0.20 0.00 -1.93 0.00 0.00 57.85 56.75 2ctm n ARG 30 Cb 0.37 -2.37 -0.12 0.00 -1.16 0.00 0.00 32.46 29.18 2ctm n ARG 30 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2ctm h ILE 31 N 0.00 1.11 -0.89 0.55 2.04 -0.69 -3.37 117.51 116.27 2ctm h ILE 31 Ca 0.85 -2.21 0.21 0.00 1.00 0.00 0.00 64.86 64.71 2ctm h ILE 31 Cb 2.88 2.47 -0.12 0.00 -0.74 0.00 0.00 36.82 41.32 2ctm h ILE 31 CO -0.37 0.38 0.40 0.40 0.00 0.00 0.00 178.15 178.96 2ctm h ILE 32 N -1.00 0.52 0.00 -0.67 2.04 0.23 -3.11 117.51 115.52 2ctm h ILE 32 Ca -0.27 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2ctm h ILE 32 Cb 1.24 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2ctm h ILE 32 CO -0.16 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.68 2ctm n GLY 33 N -1.33 -1.89 0.04 5.37 0.00 0.48 -3.21 105.19 104.64 2ctm n GLY 33 Ca 0.21 -1.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -0.64 4.61 0.00 -1.92 -3.38 119.26 117.93 2ctm h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ctm h ALA 34 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ctm h ALA 34 CO 0.00 0.01 0.00 2.89 0.00 0.00 0.00 179.25 182.15 2ctm n ARG 35 N -4.30 3.35 -1.95 0.00 -4.01 -1.26 -4.92 116.66 103.57 2ctm n ARG 35 Ca -0.00 -2.76 0.00 0.00 -1.04 0.00 0.00 57.85 54.05 2ctm n ARG 35 Cb 0.00 -1.75 0.00 0.00 -3.04 0.00 0.00 32.46 27.68 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2ctm n GLY 36 N 1.17 0.82 0.12 2.89 0.00 -1.24 -5.00 105.19 103.95 2ctm n GLY 36 Ca 0.24 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.67 0.59 -0.34 1.61 0.00 -1.22 -3.46 118.16 114.67 2ctm n LYS 37 Ca 0.00 0.41 0.33 0.00 0.00 0.00 0.00 58.31 59.05 2ctm n LYS 37 Cb 0.43 -1.63 0.70 0.00 0.00 0.00 0.00 35.03 34.53 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 -0.67 2.94 0.00 3.14 0.00 -1.76 0.86 119.26 123.76 2ctm h ALA 38 Ca -0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2ctm h ALA 38 Cb 1.50 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2ctm h ALA 38 CO -0.29 -1.31 -1.12 0.97 0.00 0.00 0.00 179.25 177.50 2ctm h ILE 39 N 0.09 0.42 -0.46 0.00 6.09 -1.51 -3.34 117.51 118.81 2ctm h ILE 39 Ca 0.59 -1.77 -0.05 0.00 -1.37 0.00 0.00 64.86 62.27 2ctm h ILE 39 Cb 2.16 1.97 -0.02 0.00 0.47 0.00 0.00 36.82 41.41 2ctm h ILE 39 CO -0.09 0.24 0.09 -0.09 -3.07 0.00 0.00 178.15 175.23 2ctm h ARG 40 N 0.00 0.75 -0.47 2.19 9.65 0.69 -2.30 114.38 124.89 2ctm h ARG 40 Ca -0.10 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 2ctm h ARG 40 Cb 1.40 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 2ctm h ARG 40 CO 0.04 0.75 0.25 1.57 2.80 0.00 0.00 179.97 185.38 2ctm h LYS 41 N 0.62 0.66 -0.91 0.20 2.10 -1.54 -1.60 116.57 116.09 2ctm h LYS 41 Ca 0.14 -0.08 0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2ctm h LYS 41 Cb 0.36 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.51 2ctm h LYS 41 CO 0.01 0.53 0.60 0.82 -2.00 0.00 0.00 179.45 179.40 2ctm h ILE 42 N 0.62 1.19 0.48 0.07 2.04 -1.65 0.26 117.51 120.52 2ctm h ILE 42 Ca 0.16 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2ctm h ILE 42 Cb 0.07 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 2ctm h ILE 42 CO -0.03 0.22 -0.23 0.24 0.00 0.00 0.00 178.15 178.35 2ctm h MET 43 N 1.19 -0.62 -0.36 2.37 2.86 -1.08 -3.01 114.93 116.27 2ctm h MET 43 Ca 0.35 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2ctm h MET 43 Cb -0.06 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2ctm h MET 43 CO -0.10 -0.33 0.21 -0.44 1.06 0.00 0.00 176.91 177.31 2ctm h ASP 44 N -0.86 0.43 -0.08 1.22 3.32 -1.16 1.56 116.42 120.85 2ctm h ASP 44 Ca -0.07 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2ctm h ASP 44 Cb 0.58 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 2ctm h ASP 44 CO 0.11 0.34 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.52 2ctm h GLU 45 N 0.50 -0.45 -0.45 3.56 4.57 -0.36 -2.63 114.58 119.32 2ctm h GLU 45 Ca 0.13 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2ctm h GLU 45 Cb -0.01 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2ctm h GLU 45 CO -0.02 -0.30 0.00 1.19 -1.18 0.00 0.00 179.01 178.70 2ctm n PHE 46 N -5.43 0.59 -3.67 0.92 3.01 -1.09 -4.97 117.46 106.83 2ctm n PHE 46 Ca -0.04 -0.40 -0.24 0.00 1.01 0.00 0.00 57.45 57.78 2ctm n PHE 46 Cb 0.34 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.11 -6.51 -4.43 -1.08 4.76 0.50 -4.85 118.16 107.66 2ctm n LYS 47 Ca 0.17 0.73 -0.25 0.00 -2.87 0.00 0.00 58.31 56.10 2ctm n LYS 47 Cb 0.52 -5.65 -0.09 0.00 -1.84 0.00 0.00 35.03 27.96 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 -3.39 2.59 -0.28 -0.18 -7.23 0.86 -4.85 120.40 107.92 2ctm s VAL 48 Ca 0.38 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2ctm s VAL 48 Cb -0.18 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.18 2ctm s VAL 48 CO 0.77 -0.29 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.45 2ctm s ASP 49 N -3.62 4.67 -0.44 4.85 1.01 -0.92 -4.39 116.67 117.83 2ctm s ASP 49 Ca 0.32 -1.02 -0.19 0.00 0.71 0.00 0.00 52.55 52.37 2ctm s ASP 49 Cb -0.02 -1.71 0.03 0.00 1.01 0.00 0.00 42.92 42.23 2ctm s ASP 49 CO 0.17 -0.20 0.54 -0.63 0.21 0.00 0.00 175.17 175.27 2ctm s ILE 50 N 1.32 4.96 -0.41 0.77 1.01 -1.26 -0.52 121.20 127.08 2ctm s ILE 50 Ca -0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 2ctm s ILE 50 Cb -0.18 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.18 2ctm s ILE 50 CO -0.02 -0.55 0.28 -0.60 0.00 0.00 0.00 174.94 174.06 2ctm s ARG 51 N 2.45 2.91 0.54 2.79 6.06 0.54 -4.95 118.95 129.29 2ctm s ARG 51 Ca 0.16 -1.09 -0.16 0.00 -2.50 0.00 0.00 55.73 52.14 2ctm s ARG 51 Cb -0.16 -3.92 -0.06 0.00 0.06 0.00 0.00 34.95 30.86 2ctm s ARG 51 CO 0.15 -0.78 1.01 -0.06 -2.50 0.00 0.00 175.30 173.13 2ctm s PHE 52 N 1.63 3.31 0.06 5.12 0.40 -1.26 -0.67 117.98 126.56 2ctm s PHE 52 Ca 0.04 1.48 -0.31 0.00 -0.60 0.00 0.00 56.93 57.54 2ctm s PHE 52 Cb -0.20 -2.86 -0.07 0.00 0.51 0.00 0.00 43.02 40.40 2ctm s PHE 52 CO 0.08 -0.61 1.40 -1.25 0.70 0.00 0.00 175.22 175.54 2ctm s PRO 53 N -4.09 4.30 1.04 0.24 0.04 -1.25 -4.92 135.00 130.36 2ctm s PRO 53 Ca 0.60 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 2ctm s PRO 53 Cb -0.12 -3.42 0.25 0.00 0.04 0.00 0.00 34.50 31.24 2ctm s PRO 53 CO 0.33 -0.51 1.24 1.04 0.04 0.00 0.00 177.00 179.14 2ctm n GLN 54 N 4.70 -1.85 -0.11 4.56 6.02 -1.26 -4.87 117.38 124.57 2ctm n GLN 54 Ca 0.12 -1.93 0.03 0.00 -0.01 0.00 0.00 57.00 55.22 2ctm n GLN 54 Cb 0.43 -1.43 0.35 0.00 1.02 0.00 0.00 30.24 30.61 2ctm n GLN 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2ctm h SER 55 N -2.03 0.64 -0.94 1.08 4.64 -2.02 -1.99 113.55 112.93 2ctm h SER 55 Ca -0.42 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 60.32 2ctm h SER 55 Cb 1.19 -0.16 -0.29 0.00 -0.31 0.00 0.00 62.40 62.83 2ctm h SER 55 CO 0.29 0.46 0.64 0.61 -0.87 0.00 0.00 176.83 177.95 2ctm n GLY 56 N -1.45 5.18 3.86 -0.77 0.00 -1.26 -4.98 105.19 105.77 2ctm n GLY 56 Ca 0.06 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.53 3.59 0.29 4.61 0.00 -0.75 -4.99 121.76 120.98 2ctm s ALA 57 Ca 0.59 -0.23 0.15 0.00 0.00 0.00 0.00 51.96 52.48 2ctm s ALA 57 Cb 0.48 -2.45 0.69 0.00 0.00 0.00 0.00 23.12 21.84 2ctm s ALA 57 CO 0.05 0.49 1.77 -1.00 0.00 0.00 0.00 175.76 177.07 2ctm h PRO 58 N 3.07 0.00 -3.00 0.00 0.13 -1.94 -3.38 132.00 126.88 2ctm h PRO 58 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 2ctm h PRO 58 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2ctm h PRO 58 CO 0.68 0.41 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.59 2ctm s ASP 59 N -6.70 3.62 0.00 1.44 1.01 -1.26 -4.96 116.67 109.82 2ctm s ASP 59 Ca -0.02 -2.50 0.15 0.00 0.71 0.00 0.00 52.55 50.90 2ctm s ASP 59 Cb 0.13 -0.96 0.88 0.00 1.01 0.00 0.00 42.92 43.97 2ctm s ASP 59 CO 0.71 -0.28 1.36 -0.81 0.21 0.00 0.00 175.17 176.36 2ctm n PRO 60 N 3.70 0.41 -0.03 8.23 -0.04 -1.26 -1.86 135.00 144.15 2ctm n PRO 60 Ca 0.08 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2ctm n PRO 60 Cb 0.35 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.08 2.16 -4.22 3.54 0.23 -1.26 -4.46 115.26 110.17 2ctm n ASN 61 Ca 0.10 -2.12 -0.25 0.00 -0.53 0.00 0.00 54.58 51.78 2ctm n ASN 61 Cb 0.07 -0.07 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 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 -0.67 2.01 -0.44 0.00 -7.23 -0.24 -3.79 120.40 110.04 2ctm s VAL 63 Ca 0.07 -1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2ctm s VAL 63 Cb -0.08 -1.74 0.06 0.00 0.56 0.00 0.00 36.38 35.18 2ctm s VAL 63 CO 0.01 0.27 0.33 -0.89 -0.31 0.00 0.00 175.10 174.50 2ctm s THR 64 N -0.85 5.00 -0.26 5.32 2.01 0.15 -0.69 115.64 126.33 2ctm s THR 64 Ca 0.11 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.00 2ctm s THR 64 Cb -0.10 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2ctm s THR 64 CO 0.03 -0.47 0.17 -0.69 -0.69 0.00 0.00 174.62 172.97 2ctm s VAL 65 N 1.61 5.34 0.21 3.82 1.01 0.19 -0.34 120.40 132.23 2ctm s VAL 65 Ca 0.04 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2ctm s VAL 65 Cb -0.22 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2ctm s VAL 65 CO 0.07 0.31 0.36 -0.89 0.00 0.00 0.00 175.10 174.94 2ctm s THR 66 N 1.34 5.26 0.00 3.92 2.01 0.33 -0.29 115.64 128.21 2ctm s THR 66 Ca 0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2ctm s THR 66 Cb -0.15 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.56 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 -1.06 3.34 3.38 4.40 0.00 -0.89 -2.18 105.19 112.18 2ctm n GLY 67 Ca -0.07 -1.82 -0.37 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 -0.63 0.20 0.99 7.99 -1.26 -0.35 117.00 123.94 2ctm n LEU 68 Ca 0.00 0.57 0.15 0.00 -0.01 0.00 0.00 56.01 56.72 2ctm n LEU 68 Cb 0.00 -1.10 0.60 0.00 -0.11 0.00 0.00 43.42 42.80 2ctm n LEU 68 CO 0.00 -3.69 0.93 1.55 -1.51 0.00 0.00 177.39 174.67 2ctm h PRO 69 N -0.32 0.00 0.00 3.23 0.13 -1.88 0.23 132.00 133.39 2ctm h PRO 69 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2ctm h PRO 69 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2ctm h PRO 69 CO 0.41 0.00 -1.24 1.05 -0.23 0.00 0.00 178.00 177.99 2ctm h GLU 70 N 0.00 0.00 0.09 0.86 4.11 -2.01 -3.30 114.58 114.33 2ctm h GLU 70 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 2ctm h GLU 70 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2ctm h GLU 70 CO 0.00 0.41 -2.02 0.09 0.07 0.00 0.00 179.01 177.56 2ctm n ASN 71 N -3.01 2.07 -0.07 3.06 3.02 -1.03 -4.10 115.26 115.20 2ctm n ASN 71 Ca -0.08 0.18 -0.07 0.00 -0.03 0.00 0.00 54.58 54.58 2ctm n ASN 71 Cb 0.86 -0.80 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.09 0.61 -0.66 2.41 2.07 -1.13 -1.19 116.25 118.27 2ctm h VAL 72 Ca -0.45 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.19 2ctm h VAL 72 Cb 1.92 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 2ctm h VAL 72 CO 0.01 0.00 0.19 1.05 0.02 0.00 0.00 177.57 178.84 2ctm h GLU 73 N -0.07 0.32 -0.61 1.57 4.11 -1.76 0.48 114.58 118.62 2ctm h GLU 73 Ca 0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.52 2ctm h GLU 73 Cb 0.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2ctm h GLU 73 CO -0.33 0.21 0.25 0.93 0.07 0.00 0.00 179.01 180.14 2ctm h GLU 74 N 0.33 0.88 -0.14 1.06 5.08 -1.48 -2.66 114.58 117.65 2ctm h GLU 74 Ca 0.36 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2ctm h GLU 74 Cb 0.54 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2ctm h GLU 74 CO -0.41 0.72 0.04 0.00 -1.00 0.00 0.00 179.01 178.36 2ctm h ALA 75 N 1.40 0.18 -0.15 3.43 0.00 0.19 -3.03 119.26 121.28 2ctm h ALA 75 Ca 0.21 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2ctm h ALA 75 Cb 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ctm h ALA 75 CO -0.02 -0.19 -0.17 0.82 0.00 0.00 0.00 179.25 179.68 2ctm h ILE 76 N 0.03 0.54 -1.01 0.00 2.04 -0.96 -0.09 117.51 118.06 2ctm h ILE 76 Ca 0.04 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.17 2ctm h ILE 76 Cb 0.24 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 2ctm h ILE 76 CO -0.00 0.00 0.69 -0.78 0.00 0.00 0.00 178.15 178.06 2ctm h ASP 77 N -0.21 0.26 0.72 1.72 3.58 -1.45 0.38 116.42 121.43 2ctm h ASP 77 Ca 0.10 0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.35 2ctm h ASP 77 Cb 0.36 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2ctm h ASP 77 CO -0.28 0.07 -1.12 -0.74 -2.88 0.00 0.00 179.24 174.29 2ctm h HIS 78 N 0.24 0.34 0.57 0.28 2.76 -0.99 -2.96 115.15 115.39 2ctm h HIS 78 Ca 0.53 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 2ctm h HIS 78 Cb 1.63 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.58 2ctm h HIS 78 CO -0.00 1.16 -0.27 0.82 -1.30 0.00 0.00 177.93 178.33 2ctm h ILE 79 N 0.06 0.21 -0.23 6.26 2.04 0.14 -3.03 117.51 122.96 2ctm h ILE 79 Ca -0.09 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2ctm h ILE 79 Cb 1.84 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2ctm h ILE 79 CO 0.17 0.03 0.16 -0.07 0.00 0.00 0.00 178.15 178.45 2ctm h LEU 80 N -1.09 0.01 -0.53 1.44 3.38 -1.29 -1.63 115.31 115.60 2ctm h LEU 80 Ca -0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ctm h LEU 80 Cb 0.64 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2ctm h LEU 80 CO 0.13 0.01 0.31 -1.13 0.09 0.00 0.00 178.44 177.84 2ctm h ASN 81 N 0.01 0.48 0.36 -0.43 -1.24 -1.43 -2.52 115.58 110.81 2ctm h ASN 81 Ca 0.11 0.01 -0.22 0.00 0.71 0.00 0.00 56.30 56.91 2ctm h ASN 81 Cb 0.41 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 2ctm h ASN 81 CO -0.00 0.34 -0.91 -0.07 -1.29 0.00 0.00 177.43 175.49 2ctm h LEU 82 N 0.60 0.49 -0.93 0.34 3.38 -1.22 -3.07 115.31 114.90 2ctm h LEU 82 Ca 0.22 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 57.99 2ctm h LEU 82 Cb 0.05 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 2ctm h LEU 82 CO -0.11 1.18 0.51 -0.08 0.09 0.00 0.00 178.44 180.03 2ctm h GLU 83 N 0.22 0.60 -0.03 1.13 4.22 -0.93 0.24 114.58 120.02 2ctm h GLU 83 Ca -0.07 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.11 2ctm h GLU 83 Cb 1.54 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.68 2ctm h GLU 83 CO 0.16 0.39 -0.84 1.49 -2.18 0.00 0.00 179.01 178.03 2ctm h GLU 84 N 0.61 0.63 -0.82 1.92 4.81 -1.51 -1.80 114.58 118.42 2ctm h GLU 84 Ca 0.55 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2ctm h GLU 84 Cb 0.91 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2ctm h GLU 84 CO -0.42 1.24 0.51 1.49 -0.73 0.00 0.00 179.01 181.10 2ctm h GLU 85 N 0.27 1.10 0.20 1.92 4.81 -1.06 0.43 114.58 122.26 2ctm h GLU 85 Ca -0.10 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2ctm h GLU 85 Cb 1.51 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2ctm h GLU 85 CO 0.17 0.76 -0.10 1.88 -0.73 0.00 0.00 179.01 180.99 2ctm h TYR 86 N 1.13 -0.25 -0.98 0.92 0.05 -0.62 -3.32 116.97 113.90 2ctm h TYR 86 Ca 0.30 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.26 2ctm h TYR 86 Cb -0.08 0.08 -0.11 0.00 1.01 0.00 0.00 36.73 37.64 2ctm h TYR 86 CO 0.00 -0.02 0.58 -0.07 -1.05 0.00 0.00 178.16 177.60 2ctm h LEU 87 N -1.03 0.73 -1.90 3.88 3.38 -1.30 0.34 115.31 119.42 2ctm h LEU 87 Ca -0.03 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2ctm h LEU 87 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ctm h LEU 87 CO 0.05 0.25 0.44 0.00 0.09 0.00 0.00 178.44 179.27 2ctm h ALA 88 N 1.64 1.84 -0.54 1.53 0.00 -1.00 -1.51 119.26 121.22 2ctm h ALA 88 Ca 0.56 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 55.01 2ctm h ALA 88 Cb 0.88 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 2ctm h ALA 88 CO -0.39 -0.58 0.42 -3.47 0.00 0.00 0.00 179.25 175.24 2ctm n ASP 89 N -3.35 6.53 -4.19 0.00 2.03 0.12 -4.81 116.55 112.89 2ctm n ASP 89 Ca 0.04 -3.19 -0.41 0.00 0.52 0.00 0.00 54.79 51.75 2ctm n ASP 89 Cb 0.57 -1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 39.74 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ctm s SER 90 N 0.20 5.85 0.00 1.67 0.15 -0.57 -4.81 113.70 116.18 2ctm s SER 90 Ca 0.51 -2.80 0.00 0.00 0.70 0.00 0.00 55.95 54.36 2ctm s SER 90 Cb 0.35 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2ctm s SER 90 CO -0.15 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2ctm n GLY 91 N 3.67 0.13 0.00 9.45 0.00 -1.26 -5.00 105.19 112.18 2ctm n GLY 91 Ca 0.10 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.34 2ctm n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctm n PRO 92 N 0.00 0.49 -3.61 1.61 -0.04 -1.26 -4.48 135.00 127.71 2ctm n PRO 92 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2ctm n PRO 92 Cb 0.00 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 2ctm n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ctm s SER 93 N -1.87 0.70 -0.98 3.54 0.01 -1.26 -5.08 113.70 108.77 2ctm s SER 93 Ca 0.17 0.31 -0.25 0.00 1.31 0.00 0.00 55.95 57.50 2ctm s SER 93 Cb 0.08 0.55 -0.25 0.00 0.21 0.00 0.00 66.02 66.61 2ctm s SER 93 CO 0.13 -0.27 2.50 -1.20 0.41 0.00 0.00 173.24 174.81 2ctm n SER 94 N 5.34 -0.17 -0.46 2.44 7.64 -1.26 -5.21 113.62 121.94 2ctm n SER 94 Ca -0.06 -0.01 0.14 0.00 1.01 0.00 0.00 58.87 59.95 2ctm n SER 94 Cb 0.50 -0.80 0.55 0.00 -1.01 0.00 0.00 64.21 63.44 2ctm n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64