#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 1.07 -4.62 1.61 7.64 -1.26 -4.96 113.62 113.11 2ctm n SER 2 Ca 0.00 0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 2ctm n SER 2 Cb 0.00 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 2ctm n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctm s SER 3 N -5.91 6.21 -0.49 6.43 1.04 -1.26 -4.96 113.70 114.77 2ctm s SER 3 Ca -0.16 1.42 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 2ctm s SER 3 Cb 0.06 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.73 2ctm s SER 3 CO 0.20 -1.43 0.44 -0.83 0.98 0.00 0.00 173.24 172.61 2ctm s GLY 4 N 4.80 2.02 -0.46 7.32 0.00 -1.26 -5.02 107.32 114.73 2ctm s GLY 4 Ca 0.73 -2.14 -0.46 0.00 0.00 0.00 0.00 44.72 42.85 2ctm s GLY 4 CO 0.31 1.12 1.58 1.44 0.00 0.00 0.00 173.10 177.56 2ctm n SER 5 N 5.33 1.21 -3.77 1.64 7.64 -1.26 -4.93 113.62 119.48 2ctm n SER 5 Ca -0.12 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.81 2ctm n SER 5 Cb 0.43 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.63 2ctm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ctm s SER 6 N 2.87 -0.25 -0.46 6.43 0.01 -1.26 -5.12 113.70 115.91 2ctm s SER 6 Ca 1.04 0.38 0.03 0.00 1.31 0.00 0.00 55.95 58.71 2ctm s SER 6 Cb -1.46 0.49 0.12 0.00 0.21 0.00 0.00 66.02 65.39 2ctm s SER 6 CO 0.80 -0.24 0.21 -0.83 0.41 0.00 0.00 173.24 173.58 2ctm s GLY 7 N -0.47 2.08 0.78 3.44 0.00 -1.26 -5.10 107.32 106.79 2ctm s GLY 7 Ca -0.06 -2.88 -0.04 0.00 0.00 0.00 0.00 44.72 41.74 2ctm s GLY 7 CO 0.02 1.18 1.08 0.50 0.00 0.00 0.00 173.10 175.87 2ctm s ARG 8 N 0.18 1.39 0.39 2.90 1.81 -1.26 -5.12 118.95 119.24 2ctm s ARG 8 Ca 0.16 -0.99 -0.12 0.00 -1.72 0.00 0.00 55.73 53.06 2ctm s ARG 8 Cb -0.24 -2.22 0.05 0.00 -0.45 0.00 0.00 34.95 32.09 2ctm s ARG 8 CO -0.03 -1.70 0.73 0.96 -0.68 0.00 0.00 175.30 174.59 2ctm s ILE 9 N -3.33 0.00 -0.23 1.52 -5.25 -1.26 -5.08 121.20 107.58 2ctm s ILE 9 Ca 0.69 -1.12 0.03 0.00 -0.99 0.00 0.00 60.65 59.25 2ctm s ILE 9 Cb -0.05 -2.91 -0.16 0.00 2.95 0.00 0.00 42.46 42.30 2ctm s ILE 9 CO 0.47 0.00 -0.18 0.52 -1.79 0.00 0.00 174.94 173.95 2ctm n VAL 10 N -0.55 1.33 -0.06 8.37 0.31 -1.26 -5.04 118.33 121.44 2ctm n VAL 10 Ca -0.07 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2ctm n VAL 10 Cb 0.60 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.34 -3.88 3.91 2.92 0.00 -1.26 -4.84 105.19 104.38 2ctm n GLY 11 Ca -0.40 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.91 3.58 0.03 1.61 0.41 -1.26 -5.04 118.70 117.13 2ctm s GLU 12 Ca 0.00 -0.17 -0.14 0.00 -0.41 0.00 0.00 54.97 54.25 2ctm s GLU 12 Cb 0.00 -2.86 -0.07 0.00 -1.78 0.00 0.00 34.13 29.42 2ctm s GLU 12 CO 0.00 0.47 1.21 -0.07 -0.49 0.00 0.00 175.26 176.38 2ctm h LEU 13 N 2.68 -0.53 -0.88 1.80 4.07 -1.96 -2.39 115.31 118.11 2ctm h LEU 13 Ca -0.46 0.04 0.22 0.00 0.08 0.00 0.00 57.88 57.75 2ctm h LEU 13 Cb 1.17 0.17 -0.12 0.00 1.08 0.00 0.00 40.66 42.96 2ctm h LEU 13 CO 0.72 -0.26 0.35 -0.33 -1.08 0.00 0.00 178.44 177.84 2ctm h GLU 14 N -0.40 0.36 -0.70 1.13 5.08 -2.04 0.54 114.58 118.56 2ctm h GLU 14 Ca -0.03 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2ctm h GLU 14 Cb 0.34 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2ctm h GLU 14 CO -0.02 0.24 0.49 1.96 -1.00 0.00 0.00 179.01 180.67 2ctm h GLN 15 N 0.37 0.15 -7.15 2.33 1.08 -1.89 -3.42 115.11 106.58 2ctm h GLN 15 Ca 0.54 -0.01 -0.54 0.00 -1.45 0.00 0.00 58.65 57.19 2ctm h GLN 15 Cb 1.03 -0.03 0.18 0.00 -0.05 0.00 0.00 27.48 28.60 2ctm h GLN 15 CO -0.54 0.10 0.36 -1.33 -0.95 0.00 0.00 178.83 176.47 2ctm n MET 16 N -4.40 0.47 -4.37 1.46 2.81 0.19 -4.69 117.12 108.58 2ctm n MET 16 Ca 0.14 0.23 -0.20 0.00 -1.81 0.00 0.00 57.70 56.06 2ctm n MET 16 Cb 0.66 -2.44 -0.14 0.00 -0.71 0.00 0.00 33.22 30.59 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 -1.89 1.01 -0.12 2.03 -7.23 0.06 -4.81 120.40 109.46 2ctm s VAL 17 Ca 0.76 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.94 2ctm s VAL 17 Cb -0.32 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 2ctm s VAL 17 CO 0.48 0.05 0.31 -0.94 -0.31 0.00 0.00 175.10 174.69 2ctm s SER 18 N -0.92 6.52 -0.00 4.85 1.04 -1.26 -2.34 113.70 121.59 2ctm s SER 18 Ca 0.02 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.09 2ctm s SER 18 Cb -0.07 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 2ctm s SER 18 CO 0.01 0.18 -0.08 -1.61 0.98 0.00 0.00 173.24 172.72 2ctm s GLU 19 N -0.05 0.66 -0.33 4.02 2.02 -0.15 -4.98 118.70 119.90 2ctm s GLU 19 Ca 0.18 -0.32 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 2ctm s GLU 19 Cb -0.14 -0.64 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 2ctm s GLU 19 CO 0.06 0.17 0.45 0.16 0.02 0.00 0.00 175.26 176.12 2ctm s ASP 20 N -0.26 6.27 -0.22 -0.19 -4.77 -1.26 -0.92 116.67 115.32 2ctm s ASP 20 Ca 0.03 -0.03 -0.05 0.00 -3.30 0.00 0.00 52.55 49.20 2ctm s ASP 20 Cb -0.03 -2.24 -0.02 0.00 -1.09 0.00 0.00 42.92 39.54 2ctm s ASP 20 CO -0.00 -0.39 0.01 -0.69 0.70 0.00 0.00 175.17 174.80 2ctm s VAL 21 N 2.23 3.88 -0.60 2.11 1.01 -0.42 -4.94 120.40 123.68 2ctm s VAL 21 Ca 0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 2ctm s VAL 21 Cb -0.16 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2ctm s VAL 21 CO 0.12 0.40 1.86 -2.16 0.00 0.00 0.00 175.10 175.32 2ctm s PRO 22 N 1.35 2.65 -0.14 2.72 0.04 -1.26 -1.16 135.00 139.20 2ctm s PRO 22 Ca 0.04 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.74 2ctm s PRO 22 Cb -0.15 -4.38 0.01 0.00 0.04 0.00 0.00 34.50 30.02 2ctm s PRO 22 CO 0.01 -2.70 -0.21 -1.17 0.04 0.00 0.00 177.00 172.96 2ctm s LEU 23 N 9.00 2.08 0.36 -3.56 2.96 0.11 -4.98 118.68 124.66 2ctm s LEU 23 Ca 0.68 -0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 53.71 2ctm s LEU 23 Cb -0.13 -1.42 -0.10 0.00 0.50 0.00 0.00 46.19 45.04 2ctm s LEU 23 CO 0.21 0.07 1.37 -0.62 -1.32 0.00 0.00 176.35 176.06 2ctm s ASP 24 N 0.87 6.51 0.12 3.68 -1.08 -1.26 -3.92 116.67 121.58 2ctm s ASP 24 Ca -0.06 2.82 0.15 0.00 -0.52 0.00 0.00 52.55 54.94 2ctm s ASP 24 Cb -0.15 -2.65 0.68 0.00 -1.46 0.00 0.00 42.92 39.33 2ctm s ASP 24 CO -0.03 -0.73 1.47 1.57 0.52 0.00 0.00 175.17 177.97 2ctm n HIS 25 N 0.53 0.33 0.12 -5.34 -0.00 -1.26 -1.94 115.22 107.66 2ctm n HIS 25 Ca 0.01 0.15 -0.02 0.00 -0.00 0.00 0.00 57.72 57.85 2ctm n HIS 25 Cb 0.41 -0.73 0.11 0.00 -0.00 0.00 0.00 29.99 29.78 2ctm n HIS 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ctm h ARG 26 N 0.00 0.00 0.00 1.57 2.47 -1.95 -3.22 114.38 113.25 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 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2ctm h ARG 26 CO 0.00 0.69 -1.56 1.33 0.56 0.00 0.00 179.97 180.99 2ctm n VAL 27 N -3.70 0.00 -0.18 2.04 0.24 -0.82 -4.49 118.33 111.42 2ctm n VAL 27 Ca -0.01 -0.30 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 2ctm n VAL 27 Cb 0.68 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.22 0.25 6.34 3.86 -1.41 0.08 115.15 123.04 2ctm h HIS 28 Ca 0.00 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ctm h HIS 28 Cb 0.76 0.59 -0.01 0.00 1.06 0.00 0.00 27.41 29.81 2ctm h HIS 28 CO 0.00 -0.30 -0.20 0.00 0.86 0.00 0.00 177.93 178.30 2ctm h ALA 29 N -0.23 -0.44 -1.18 2.45 0.00 -1.81 0.12 119.26 118.17 2ctm h ALA 29 Ca 0.08 -0.07 0.40 0.00 0.00 0.00 0.00 54.91 55.32 2ctm h ALA 29 Cb 0.35 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 2ctm h ALA 29 CO -0.51 -0.77 0.72 0.00 0.00 0.00 0.00 179.25 178.69 2ctm h ARG 30 N -0.46 0.12 0.00 0.00 -0.00 -1.59 0.07 114.38 112.52 2ctm h ARG 30 Ca -0.01 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.98 59.40 2ctm h ARG 30 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 2ctm h ARG 30 CO -0.02 0.08 -0.36 0.82 0.00 0.00 0.00 179.97 180.49 2ctm h ILE 31 N 0.12 1.22 -0.81 2.04 2.04 -0.39 -3.36 117.51 118.37 2ctm h ILE 31 Ca 0.80 -2.04 0.15 0.00 1.00 0.00 0.00 64.86 64.77 2ctm h ILE 31 Cb 2.29 2.43 -0.15 0.00 -0.74 0.00 0.00 36.82 40.65 2ctm h ILE 31 CO -0.53 0.41 -0.29 0.40 0.00 0.00 0.00 178.15 178.14 2ctm h ILE 32 N -1.00 0.12 -0.10 -0.67 2.04 0.10 -3.27 117.51 114.73 2ctm h ILE 32 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ctm h ILE 32 Cb 0.92 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2ctm h ILE 32 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.70 2ctm n GLY 33 N -1.49 -0.13 0.29 5.37 0.00 -0.24 -2.99 105.19 106.00 2ctm n GLY 33 Ca 0.09 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2ctm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctm n ALA 34 N 1.84 -0.34 0.14 4.61 0.00 -1.26 0.20 120.51 125.69 2ctm n ALA 34 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2ctm n ALA 34 Cb 0.00 -0.17 0.14 0.00 0.00 0.00 0.00 19.45 19.43 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 2.47 -2.00 -3.47 114.38 111.38 2ctm h ARG 35 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2ctm h ARG 35 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2ctm h ARG 35 CO -0.68 0.60 0.00 0.41 0.56 0.00 0.00 179.97 180.86 2ctm n GLY 36 N 0.60 1.01 0.09 0.04 0.00 0.53 -4.98 105.19 102.47 2ctm n GLY 36 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 2ctm n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ctm n LYS 37 N -1.98 0.65 0.14 1.61 2.85 -1.24 -3.87 118.16 116.32 2ctm n LYS 37 Ca 0.00 0.19 0.16 0.00 -1.05 0.00 0.00 58.31 57.61 2ctm n LYS 37 Cb 0.02 -1.71 0.72 0.00 -0.65 0.00 0.00 35.03 33.42 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ctm h ALA 38 N 1.06 2.12 0.00 0.58 0.00 -1.76 0.75 119.26 122.00 2ctm h ALA 38 Ca -0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ctm h ALA 38 Cb 2.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2ctm h ALA 38 CO 0.06 -0.34 -0.98 0.97 0.00 0.00 0.00 179.25 178.96 2ctm h ILE 39 N 0.00 0.01 -0.07 0.00 6.09 -1.58 -3.34 117.51 118.62 2ctm h ILE 39 Ca 0.12 -1.03 -0.09 0.00 -1.37 0.00 0.00 64.86 62.50 2ctm h ILE 39 Cb 0.54 1.53 0.00 0.00 0.47 0.00 0.00 36.82 39.36 2ctm h ILE 39 CO -0.00 0.01 -0.29 -0.09 -3.07 0.00 0.00 178.15 174.70 2ctm h ARG 40 N 0.00 0.33 -0.62 2.19 9.65 -0.98 -2.56 114.38 122.38 2ctm h ARG 40 Ca -0.00 -0.25 0.04 0.00 -1.10 0.00 0.00 59.98 58.66 2ctm h ARG 40 Cb 1.02 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 2ctm h ARG 40 CO 0.00 0.89 0.41 1.57 2.80 0.00 0.00 179.97 185.64 2ctm h LYS 41 N -0.16 0.69 -0.09 0.20 2.10 -1.54 -1.09 116.57 116.67 2ctm h LYS 41 Ca -0.02 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 2ctm h LYS 41 Cb 0.93 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2ctm h LYS 41 CO 0.06 0.46 -0.09 0.82 -2.00 0.00 0.00 179.45 178.70 2ctm h ILE 42 N 0.71 1.36 -0.56 0.07 2.04 -1.67 0.24 117.51 119.71 2ctm h ILE 42 Ca 0.25 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2ctm h ILE 42 Cb 0.12 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2ctm h ILE 42 CO -0.07 0.35 0.34 0.24 0.00 0.00 0.00 178.15 179.01 2ctm h MET 43 N -0.19 0.65 -0.11 2.37 2.86 -1.02 -2.48 114.93 117.02 2ctm h MET 43 Ca 0.02 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 2ctm h MET 43 Cb 0.61 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2ctm h MET 43 CO 0.02 0.43 -0.76 -0.44 1.06 0.00 0.00 176.91 177.22 2ctm h ASP 44 N 0.67 0.67 -0.13 1.22 3.32 -1.23 1.09 116.42 122.03 2ctm h ASP 44 Ca 0.22 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.87 2ctm h ASP 44 Cb 0.02 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.30 2ctm h ASP 44 CO -0.10 1.21 -0.36 -0.08 -1.72 0.00 0.00 179.24 178.19 2ctm h GLU 45 N 0.38 -0.42 -0.06 3.56 4.57 -0.10 -2.00 114.58 120.50 2ctm h GLU 45 Ca -0.04 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ctm h GLU 45 Cb 1.36 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 2ctm h GLU 45 CO 0.14 -0.28 0.00 1.19 -1.18 0.00 0.00 179.01 178.88 2ctm n PHE 46 N -5.42 0.05 -3.00 0.92 3.01 -0.97 -4.95 117.46 107.10 2ctm n PHE 46 Ca -0.04 -0.02 -0.19 0.00 1.01 0.00 0.00 57.45 58.21 2ctm n PHE 46 Cb 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.96 -4.64 -3.69 -1.08 4.76 0.11 -4.85 118.16 109.74 2ctm n LYS 47 Ca 0.16 0.75 -0.23 0.00 -2.87 0.00 0.00 58.31 56.12 2ctm n LYS 47 Cb 0.51 -5.31 -0.02 0.00 -1.84 0.00 0.00 35.03 28.37 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 -3.11 2.29 -0.41 -0.18 -7.23 0.33 -4.82 120.40 107.26 2ctm s VAL 48 Ca 0.30 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 2ctm s VAL 48 Cb -0.13 -2.70 0.12 0.00 0.56 0.00 0.00 36.38 34.23 2ctm s VAL 48 CO 0.37 0.00 0.19 -1.81 -0.31 0.00 0.00 175.10 173.54 2ctm s ASP 49 N -4.18 4.02 0.13 4.85 1.01 -0.68 -4.44 116.67 117.38 2ctm s ASP 49 Ca 0.44 -2.43 -0.29 0.00 0.71 0.00 0.00 52.55 50.98 2ctm s ASP 49 Cb -0.02 -1.20 -0.06 0.00 1.01 0.00 0.00 42.92 42.64 2ctm s ASP 49 CO 0.26 -0.31 0.93 -0.63 0.21 0.00 0.00 175.17 175.64 2ctm s ILE 50 N 0.57 4.43 -0.17 0.77 1.01 -1.26 -1.42 121.20 125.13 2ctm s ILE 50 Ca 0.15 2.03 -0.00 0.00 0.00 0.00 0.00 60.65 62.82 2ctm s ILE 50 Cb -0.23 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 37.99 2ctm s ILE 50 CO -0.06 0.36 -0.06 -0.60 0.00 0.00 0.00 174.94 174.59 2ctm s ARG 51 N -0.28 1.51 0.47 2.79 6.06 -0.15 -4.99 118.95 124.35 2ctm s ARG 51 Ca 0.45 -0.58 -0.20 0.00 -2.50 0.00 0.00 55.73 52.90 2ctm s ARG 51 Cb -0.24 -2.09 -0.09 0.00 0.06 0.00 0.00 34.95 32.58 2ctm s ARG 51 CO 0.30 -0.44 0.98 -0.06 -2.50 0.00 0.00 175.30 173.57 2ctm s PHE 52 N 1.59 3.27 -0.34 5.12 0.08 -1.26 -1.26 117.98 125.18 2ctm s PHE 52 Ca 0.00 1.57 -0.29 0.00 0.12 0.00 0.00 56.93 58.33 2ctm s PHE 52 Cb -0.16 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.40 2ctm s PHE 52 CO -0.08 -0.34 1.69 -1.25 -0.10 0.00 0.00 175.22 175.15 2ctm s PRO 53 N -3.44 3.43 1.37 0.24 0.04 -1.25 -4.94 135.00 130.46 2ctm s PRO 53 Ca 0.62 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 2ctm s PRO 53 Cb -0.11 -4.14 0.35 0.00 0.04 0.00 0.00 34.50 30.63 2ctm s PRO 53 CO 0.20 -1.74 0.86 1.04 0.04 0.00 0.00 177.00 177.39 2ctm n GLN 54 N 8.30 -4.06 -0.02 4.56 3.00 -1.26 -4.76 117.38 123.13 2ctm n GLN 54 Ca 0.21 -1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 55.92 2ctm n GLN 54 Cb 0.47 -1.96 -0.02 0.00 0.00 0.00 0.00 30.24 28.73 2ctm n GLN 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2ctm h SER 55 N -3.32 -0.50 -0.33 1.08 4.64 -2.02 -1.34 113.55 111.76 2ctm h SER 55 Ca -0.46 0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 60.75 2ctm h SER 55 Cb 1.31 0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 63.55 2ctm h SER 55 CO 0.31 -0.20 0.26 0.61 -0.87 0.00 0.00 176.83 176.94 2ctm n GLY 56 N -1.31 3.30 3.85 -0.77 0.00 -1.26 -4.91 105.19 104.09 2ctm n GLY 56 Ca -0.02 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.19 3.57 0.26 4.61 0.00 -0.51 -5.00 121.76 123.51 2ctm s ALA 57 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2ctm s ALA 57 Cb 0.16 -2.50 0.34 0.00 0.00 0.00 0.00 23.12 21.12 2ctm s ALA 57 CO 0.01 0.47 1.64 -1.00 0.00 0.00 0.00 175.76 176.88 2ctm h PRO 58 N 3.24 0.34 -3.18 0.00 0.13 -1.91 -3.38 132.00 127.24 2ctm h PRO 58 Ca -0.48 -0.18 -0.63 0.00 -0.87 0.00 0.00 66.00 63.85 2ctm h PRO 58 Cb 1.19 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 2ctm h PRO 58 CO 0.67 0.73 -0.68 -0.51 -0.23 0.00 0.00 178.00 177.97 2ctm s ASP 59 N -6.87 3.99 0.00 1.44 1.01 -1.26 -4.94 116.67 110.03 2ctm s ASP 59 Ca -0.05 -2.84 0.15 0.00 0.71 0.00 0.00 52.55 50.51 2ctm s ASP 59 Cb 0.13 -1.34 0.76 0.00 1.01 0.00 0.00 42.92 43.48 2ctm s ASP 59 CO 0.79 -0.24 1.40 -0.81 0.21 0.00 0.00 175.17 176.52 2ctm n PRO 60 N 3.29 0.24 -0.10 8.23 -0.04 -1.26 -1.93 135.00 143.43 2ctm n PRO 60 Ca 0.07 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2ctm n PRO 60 Cb 0.33 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.26 2.49 -4.16 3.54 0.23 -1.26 -4.45 115.26 110.39 2ctm n ASN 61 Ca 0.07 -2.26 -0.23 0.00 -0.53 0.00 0.00 54.58 51.63 2ctm n ASN 61 Cb 0.11 -0.18 -0.15 0.00 -2.08 0.00 0.00 39.78 37.48 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 -0.53 1.99 -0.50 0.00 -7.23 -0.31 -3.84 120.40 109.99 2ctm s VAL 63 Ca 0.06 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.99 2ctm s VAL 63 Cb -0.07 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.21 2ctm s VAL 63 CO 0.00 0.55 0.80 -0.89 -0.31 0.00 0.00 175.10 175.25 2ctm s THR 64 N 0.03 4.61 -0.25 5.32 2.01 -0.39 -1.30 115.64 125.68 2ctm s THR 64 Ca -0.09 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2ctm s THR 64 Cb -0.15 -4.39 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 2ctm s THR 64 CO 0.05 -0.88 0.21 -0.69 -0.69 0.00 0.00 174.62 172.62 2ctm s VAL 65 N 3.36 5.31 0.27 3.82 1.01 -0.09 -0.97 120.40 133.11 2ctm s VAL 65 Ca 0.26 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.59 2ctm s VAL 65 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2ctm s VAL 65 CO 0.19 0.30 0.26 -0.89 0.00 0.00 0.00 175.10 174.96 2ctm s THR 66 N 1.32 4.35 0.00 3.92 2.01 -0.50 -0.97 115.64 125.77 2ctm s THR 66 Ca 0.09 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.80 2ctm s THR 66 Cb -0.14 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2ctm s THR 66 CO 0.07 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2ctm n GLY 67 N -1.29 2.87 3.39 4.40 0.00 -0.99 -1.69 105.19 111.89 2ctm n GLY 67 Ca -0.06 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.56 0.26 0.99 7.99 -1.26 -0.76 117.00 123.67 2ctm n LEU 68 Ca 0.00 0.65 0.17 0.00 -0.01 0.00 0.00 56.01 56.82 2ctm n LEU 68 Cb 0.00 -1.09 0.69 0.00 -0.11 0.00 0.00 43.42 42.91 2ctm n LEU 68 CO 0.00 -3.61 0.99 1.55 -1.51 0.00 0.00 177.39 174.80 2ctm h PRO 69 N -0.04 0.00 0.02 3.23 0.13 -1.89 -0.65 132.00 132.79 2ctm h PRO 69 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2ctm h PRO 69 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 2ctm h PRO 69 CO 0.43 0.00 -1.34 1.05 -0.23 0.00 0.00 178.00 177.92 2ctm h GLU 70 N 0.00 0.04 0.17 0.86 4.11 -2.00 -3.19 114.58 114.56 2ctm h GLU 70 Ca 0.00 -0.06 -0.35 0.00 0.07 0.00 0.00 59.36 59.02 2ctm h GLU 70 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ctm h GLU 70 CO 0.00 0.83 -1.75 -0.91 0.07 0.00 0.00 179.01 177.24 2ctm h ASN 71 N 0.01 0.55 0.10 3.06 2.35 -1.83 -3.36 115.58 116.47 2ctm h ASN 71 Ca -0.15 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.74 2ctm h ASN 71 Cb 1.90 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 2ctm h ASN 71 CO 0.12 1.74 -0.08 0.58 -1.65 0.00 0.00 177.43 178.13 2ctm h VAL 72 N 0.10 0.81 -1.01 2.81 2.07 -1.27 -1.01 116.25 118.75 2ctm h VAL 72 Ca -0.34 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.47 2ctm h VAL 72 Cb 2.08 0.81 -0.14 0.00 -1.52 0.00 0.00 31.29 32.53 2ctm h VAL 72 CO 0.16 0.00 0.59 1.05 0.02 0.00 0.00 177.57 179.39 2ctm h GLU 73 N -0.19 0.42 0.00 1.57 4.11 -1.72 0.12 114.58 118.89 2ctm h GLU 73 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2ctm h GLU 73 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ctm h GLU 73 CO -0.01 0.28 -0.00 0.93 0.07 0.00 0.00 179.01 180.27 2ctm h GLU 74 N 0.43 -0.00 -0.32 1.06 4.39 -1.57 -3.13 114.58 115.43 2ctm h GLU 74 Ca 0.70 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.47 2ctm h GLU 74 Cb 1.50 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.08 2ctm h GLU 74 CO -0.54 0.67 -0.16 0.00 -1.16 0.00 0.00 179.01 177.82 2ctm h ALA 75 N 0.30 0.09 -0.38 3.43 0.00 0.25 -1.95 119.26 121.00 2ctm h ALA 75 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2ctm h ALA 75 Cb 0.68 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2ctm h ALA 75 CO 0.00 -0.54 -0.21 0.82 0.00 0.00 0.00 179.25 179.32 2ctm h ILE 76 N -0.11 0.41 -0.82 0.00 2.04 -0.95 -0.22 117.51 117.86 2ctm h ILE 76 Ca 0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 2ctm h ILE 76 Cb 0.36 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 2ctm h ILE 76 CO -0.39 0.00 0.43 -0.78 0.00 0.00 0.00 178.15 177.41 2ctm h ASP 77 N -0.14 0.56 0.28 1.72 3.58 -1.33 0.11 116.42 121.19 2ctm h ASP 77 Ca 0.19 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 2ctm h ASP 77 Cb 0.43 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2ctm h ASP 77 CO -0.47 0.28 -0.29 -0.74 -2.88 0.00 0.00 179.24 175.14 2ctm h HIS 78 N 0.67 0.02 0.45 0.28 2.76 -0.40 -2.44 115.15 116.49 2ctm h HIS 78 Ca 0.42 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2ctm h HIS 78 Cb 0.52 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2ctm h HIS 78 CO -0.09 0.31 -0.22 0.82 -1.30 0.00 0.00 177.93 177.45 2ctm h ILE 79 N 0.02 0.00 -0.31 6.26 2.04 0.80 -3.11 117.51 123.21 2ctm h ILE 79 Ca 0.00 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.59 2ctm h ILE 79 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2ctm h ILE 79 CO 0.04 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 178.49 2ctm h LEU 80 N -0.97 0.00 -0.20 1.44 3.38 -1.35 -0.50 115.31 117.12 2ctm h LEU 80 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2ctm h LEU 80 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ctm h LEU 80 CO 0.10 0.00 0.08 -1.13 0.09 0.00 0.00 178.44 177.58 2ctm h ASN 81 N 0.00 0.27 0.24 -0.43 -1.24 -1.38 -2.83 115.58 110.21 2ctm h ASN 81 Ca 0.15 -0.16 -0.21 0.00 0.71 0.00 0.00 56.30 56.78 2ctm h ASN 81 Cb 0.90 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.88 2ctm h ASN 81 CO -0.00 0.36 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.57 2ctm h LEU 82 N 0.16 0.57 -0.97 0.34 3.38 -1.07 -3.15 115.31 114.58 2ctm h LEU 82 Ca 0.07 -0.42 0.19 0.00 0.09 0.00 0.00 57.88 57.80 2ctm h LEU 82 Cb 0.17 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2ctm h LEU 82 CO -0.01 1.20 0.57 -0.08 0.09 0.00 0.00 178.44 180.21 2ctm h GLU 83 N 0.29 0.69 -0.16 1.13 4.81 -1.21 0.36 114.58 120.50 2ctm h GLU 83 Ca -0.06 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 2ctm h GLU 83 Cb 1.47 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2ctm h GLU 83 CO 0.15 0.46 -0.32 0.93 -0.73 0.00 0.00 179.01 179.50 2ctm h GLU 84 N 0.72 0.49 -0.23 1.92 4.39 -1.51 -0.99 114.58 119.36 2ctm h GLU 84 Ca 0.56 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.98 2ctm h GLU 84 Cb 0.88 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2ctm h GLU 84 CO -0.39 0.93 0.03 1.49 -1.16 0.00 0.00 179.01 179.90 2ctm h GLU 85 N 0.12 0.11 -0.04 2.33 4.57 -1.14 0.05 114.58 120.57 2ctm h GLU 85 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2ctm h GLU 85 Cb 0.92 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2ctm h GLU 85 CO 0.07 0.07 -0.01 1.88 -1.18 0.00 0.00 179.01 179.84 2ctm h TYR 86 N 0.11 0.08 -0.87 0.92 0.05 -1.04 -3.03 116.97 113.19 2ctm h TYR 86 Ca 0.11 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.03 2ctm h TYR 86 Cb 0.12 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.78 2ctm h TYR 86 CO -0.17 0.42 0.56 -0.07 -1.05 0.00 0.00 178.16 177.85 2ctm h LEU 87 N -0.28 0.54 -1.90 3.88 3.38 -1.00 0.15 115.31 120.08 2ctm h LEU 87 Ca 0.01 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2ctm h LEU 87 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ctm h LEU 87 CO 0.00 0.26 0.45 0.00 0.09 0.00 0.00 178.44 179.24 2ctm h ALA 88 N 1.61 1.88 -1.22 1.53 0.00 -0.85 -2.36 119.26 119.85 2ctm h ALA 88 Ca 0.44 -0.01 -0.81 0.00 0.00 0.00 0.00 54.91 54.53 2ctm h ALA 88 Cb 0.87 0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.41 2ctm h ALA 88 CO -0.19 -0.59 1.09 -3.47 0.00 0.00 0.00 179.25 176.09 2ctm n ASP 89 N -3.39 7.40 -2.23 0.00 2.03 0.51 -4.70 116.55 116.17 2ctm n ASP 89 Ca 0.05 -3.67 -0.29 0.00 0.52 0.00 0.00 54.79 51.40 2ctm n ASP 89 Cb 0.58 -1.18 0.04 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.00 5.88 -3.58 1.67 2.88 -0.89 -4.99 113.62 114.59 2ctm n SER 90 Ca 0.48 -3.76 -0.12 0.00 -1.33 0.00 0.00 58.87 54.13 2ctm n SER 90 Cb 0.26 -0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 63.07 2ctm n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctm s GLY 91 N -2.92 -0.34 -0.08 0.46 0.00 -1.26 -5.13 107.32 98.05 2ctm s GLY 91 Ca 0.55 1.96 -0.30 0.00 0.00 0.00 0.00 44.72 46.93 2ctm s GLY 91 CO -0.03 1.18 1.52 2.56 0.00 0.00 0.00 173.10 178.32 2ctm s PRO 92 N -0.83 4.20 -0.46 2.90 0.04 -1.26 -4.98 135.00 134.62 2ctm s PRO 92 Ca -0.03 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.05 2ctm s PRO 92 Cb -0.01 -3.88 0.14 0.00 0.04 0.00 0.00 34.50 30.78 2ctm s PRO 92 CO 0.02 -0.78 0.25 -1.54 0.04 0.00 0.00 177.00 174.99 2ctm s SER 93 N 2.80 3.70 0.04 6.66 1.04 -1.26 -5.10 113.70 121.59 2ctm s SER 93 Ca 0.67 -2.72 -0.30 0.00 0.48 0.00 0.00 55.95 54.08 2ctm s SER 93 Cb -0.30 -1.10 -0.08 0.00 0.10 0.00 0.00 66.02 64.64 2ctm s SER 93 CO 0.25 -0.25 1.69 -0.55 0.98 0.00 0.00 173.24 175.35 2ctm s SER 94 N 0.22 6.60 0.00 7.02 0.15 -1.26 -5.28 113.70 121.15 2ctm s SER 94 Ca 0.18 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.29 2ctm s SER 94 Cb -0.23 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2ctm s SER 94 CO -0.01 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.13