#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 5.09 1.17 1.61 1.04 -1.26 -4.96 113.70 116.38 2ctm s SER 2 Ca 0.00 0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.53 2ctm s SER 2 Cb 0.00 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.86 2ctm s SER 2 CO 0.00 -2.55 1.15 -0.94 0.98 0.00 0.00 173.24 171.88 2ctm s SER 3 N 8.77 1.26 0.00 7.02 1.04 -1.26 -4.93 113.70 125.60 2ctm s SER 3 Ca 0.73 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2ctm s SER 3 Cb -0.12 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2ctm s SER 3 CO 0.18 -3.90 0.00 0.61 0.98 0.00 0.00 173.24 171.11 2ctm n GLY 4 N -1.47 -1.85 3.02 7.32 0.00 -1.26 -5.02 105.19 105.93 2ctm n GLY 4 Ca 0.14 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2ctm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctm s SER 5 N -4.00 0.49 0.83 1.61 0.01 -1.26 -5.16 113.70 106.23 2ctm s SER 5 Ca 0.00 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 2ctm s SER 5 Cb 0.00 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.41 2ctm s SER 5 CO 0.00 -0.30 1.09 -0.55 0.41 0.00 0.00 173.24 173.89 2ctm s SER 6 N -1.70 4.08 0.00 2.44 0.15 -1.26 -5.01 113.70 112.40 2ctm s SER 6 Ca -0.11 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.01 2ctm s SER 6 Cb -0.08 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2ctm s SER 6 CO -0.02 -2.25 0.00 0.61 1.20 0.00 0.00 173.24 172.78 2ctm n GLY 7 N -1.54 4.23 3.95 9.45 0.00 -1.26 -5.14 105.19 114.89 2ctm n GLY 7 Ca 0.07 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.98 2.96 0.30 1.61 1.81 -1.26 -5.12 118.95 114.28 2ctm s ARG 8 Ca 0.00 -0.52 -0.18 0.00 -1.72 0.00 0.00 55.73 53.31 2ctm s ARG 8 Cb 0.00 -2.53 0.02 0.00 -0.45 0.00 0.00 34.95 31.99 2ctm s ARG 8 CO 0.00 -0.37 0.69 0.96 -0.68 0.00 0.00 175.30 175.90 2ctm s ILE 9 N -2.62 0.00 -0.08 1.52 -5.25 -1.26 -5.07 121.20 108.44 2ctm s ILE 9 Ca 0.50 -1.08 -0.06 0.00 -0.99 0.00 0.00 60.65 59.02 2ctm s ILE 9 Cb -0.10 -2.23 -0.27 0.00 2.95 0.00 0.00 42.46 42.80 2ctm s ILE 9 CO 0.38 0.00 0.51 0.58 -1.79 0.00 0.00 174.94 174.63 2ctm h VAL 10 N 2.04 0.77 0.00 8.37 2.07 -1.97 -3.50 116.25 124.03 2ctm h VAL 10 Ca -0.23 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 64.83 2ctm h VAL 10 Cb 1.25 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2ctm h VAL 10 CO 0.29 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.34 2ctm n GLY 11 N 1.90 -1.41 3.84 2.17 0.00 -1.26 -4.74 105.19 105.69 2ctm n GLY 11 Ca -0.27 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 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 3.11 0.00 1.61 2.02 -1.26 -5.05 118.70 119.13 2ctm s GLU 12 Ca 0.00 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.13 2ctm s GLU 12 Cb 0.00 -2.84 -0.13 0.00 0.10 0.00 0.00 34.13 31.26 2ctm s GLU 12 CO 0.00 0.57 0.98 -0.07 0.02 0.00 0.00 175.26 176.76 2ctm h LEU 13 N 3.02 -0.72 -2.60 1.80 3.38 -1.97 -2.43 115.31 115.79 2ctm h LEU 13 Ca -0.46 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2ctm h LEU 13 Cb 1.17 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ctm h LEU 13 CO 0.69 -0.33 0.04 -0.33 0.09 0.00 0.00 178.44 178.60 2ctm h GLU 14 N -1.22 0.00 -0.00 1.13 4.39 -2.04 -0.22 114.58 116.61 2ctm h GLU 14 Ca -0.09 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 2ctm h GLU 14 Cb 0.65 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2ctm h GLU 14 CO 0.14 0.00 -0.74 1.96 -1.16 0.00 0.00 179.01 179.21 2ctm h GLN 15 N 0.00 0.04 -6.71 2.33 4.20 -1.95 -3.46 115.11 109.56 2ctm h GLN 15 Ca 0.01 -0.03 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 2ctm h GLN 15 Cb 0.10 0.01 0.20 0.00 0.30 0.00 0.00 27.48 28.08 2ctm h GLN 15 CO -0.00 0.76 -0.43 -1.33 -0.67 0.00 0.00 178.83 177.16 2ctm n MET 16 N -3.68 0.13 -4.22 1.46 2.81 -0.10 -4.78 117.12 108.74 2ctm n MET 16 Ca -0.01 0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.78 2ctm n MET 16 Cb 0.72 -1.86 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.05 0.55 -0.15 2.03 -7.23 -0.77 -4.87 120.40 107.90 2ctm s VAL 17 Ca 0.63 -0.22 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 2ctm s VAL 17 Cb -0.31 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 2ctm s VAL 17 CO 0.61 0.19 0.63 -0.94 -0.31 0.00 0.00 175.10 175.27 2ctm s SER 18 N 0.38 6.76 0.22 4.85 1.04 -1.26 -3.03 113.70 122.65 2ctm s SER 18 Ca -0.05 0.92 0.08 0.00 0.48 0.00 0.00 55.95 57.38 2ctm s SER 18 Cb -0.09 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 2ctm s SER 18 CO 0.00 -0.20 -0.14 -1.61 0.98 0.00 0.00 173.24 172.28 2ctm s GLU 19 N 1.46 1.38 -0.17 4.02 0.41 -0.45 -4.99 118.70 120.35 2ctm s GLU 19 Ca 0.30 -1.62 -0.03 0.00 -0.41 0.00 0.00 54.97 53.21 2ctm s GLU 19 Cb -0.16 -1.16 -0.02 0.00 -1.78 0.00 0.00 34.13 31.01 2ctm s GLU 19 CO 0.12 0.17 -0.06 0.16 -0.49 0.00 0.00 175.26 175.17 2ctm s ASP 20 N -3.34 4.50 -0.17 -0.19 -4.77 -1.26 -1.11 116.67 110.32 2ctm s ASP 20 Ca 0.24 -0.24 0.01 0.00 -3.30 0.00 0.00 52.55 49.25 2ctm s ASP 20 Cb -0.00 -1.74 0.01 0.00 -1.09 0.00 0.00 42.92 40.10 2ctm s ASP 20 CO 0.08 0.11 -0.18 -0.69 0.70 0.00 0.00 175.17 175.20 2ctm s VAL 21 N 0.68 2.35 -0.59 2.11 1.01 -0.17 -4.95 120.40 120.85 2ctm s VAL 21 Ca -0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 2ctm s VAL 21 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2ctm s VAL 21 CO 0.02 0.52 1.85 -2.16 0.00 0.00 0.00 175.10 175.34 2ctm s PRO 22 N 1.07 2.69 -0.16 2.72 0.04 -1.26 -1.23 135.00 138.86 2ctm s PRO 22 Ca -0.01 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2ctm s PRO 22 Cb -0.14 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2ctm s PRO 22 CO -0.06 -2.65 -0.16 -1.17 0.04 0.00 0.00 177.00 172.99 2ctm s LEU 23 N 8.87 2.40 0.17 -3.56 2.96 0.11 -4.98 118.68 124.65 2ctm s LEU 23 Ca 0.68 -0.51 -0.32 0.00 -0.22 0.00 0.00 54.13 53.76 2ctm s LEU 23 Cb -0.13 -1.54 -0.11 0.00 0.50 0.00 0.00 46.19 44.91 2ctm s LEU 23 CO 0.22 0.07 1.66 -0.62 -1.32 0.00 0.00 176.35 176.36 2ctm s ASP 24 N 0.92 6.49 0.23 3.68 -1.08 -1.26 -4.00 116.67 121.65 2ctm s ASP 24 Ca -0.03 2.72 0.15 0.00 -0.52 0.00 0.00 52.55 54.87 2ctm s ASP 24 Cb -0.15 -2.59 0.80 0.00 -1.46 0.00 0.00 42.92 39.52 2ctm s ASP 24 CO -0.02 -0.91 1.43 0.00 0.52 0.00 0.00 175.17 176.19 2ctm n HIS 25 N 4.25 0.50 0.91 -5.34 1.44 -1.26 -0.29 115.22 115.42 2ctm n HIS 25 Ca 0.15 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.25 2ctm n HIS 25 Cb 0.37 -0.89 0.57 0.00 0.12 0.00 0.00 29.99 30.16 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 -2.02 0.01 -0.00 -1.40 5.12 -1.26 -3.29 116.66 113.82 2ctm n ARG 26 Ca -0.01 0.05 0.01 0.00 -1.93 0.00 0.00 57.85 55.97 2ctm n ARG 26 Cb 0.06 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 29.84 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 -1.52 0.00 -0.01 1.55 0.24 0.60 -4.70 118.33 114.48 2ctm n VAL 27 Ca 0.06 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 62.03 2ctm n VAL 27 Cb 0.32 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.35 -0.28 6.34 3.86 -1.46 0.33 115.15 123.58 2ctm h HIS 28 Ca 0.00 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 2ctm h HIS 28 Cb 0.08 0.16 -0.08 0.00 1.06 0.00 0.00 27.41 28.64 2ctm h HIS 28 CO 0.00 -0.11 -0.27 0.00 0.86 0.00 0.00 177.93 178.41 2ctm h ALA 29 N -1.13 -0.15 -1.13 2.45 0.00 -1.87 0.39 119.26 117.81 2ctm h ALA 29 Ca 0.01 0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.32 2ctm h ALA 29 Cb 0.14 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2ctm h ALA 29 CO -0.11 -0.69 0.80 0.00 0.00 0.00 0.00 179.25 179.25 2ctm h ARG 30 N -0.26 0.09 0.13 0.00 -0.00 -1.75 0.25 114.38 112.84 2ctm h ARG 30 Ca 0.15 -0.01 -0.33 0.00 -0.50 0.00 0.00 59.98 59.29 2ctm h ARG 30 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.43 2ctm h ARG 30 CO -0.43 0.06 -1.75 0.82 0.00 0.00 0.00 179.97 178.66 2ctm h ILE 31 N 0.09 0.90 -0.67 2.04 2.04 0.14 -3.35 117.51 118.70 2ctm h ILE 31 Ca 0.57 -2.57 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 2ctm h ILE 31 Cb 2.06 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 40.76 2ctm h ILE 31 CO -0.08 0.82 0.25 0.40 0.00 0.00 0.00 178.15 179.54 2ctm h ILE 32 N 0.07 1.24 0.00 -0.67 2.04 0.27 -2.74 117.51 117.73 2ctm h ILE 32 Ca -0.33 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2ctm h ILE 32 Cb 2.05 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2ctm h ILE 32 CO 0.14 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.21 2ctm n GLY 33 N -0.80 0.32 0.04 5.37 0.00 0.57 -3.10 105.19 107.58 2ctm n GLY 33 Ca 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 3.60 0.33 -0.69 4.61 0.00 -1.26 -4.65 120.51 122.45 2ctm n ALA 34 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.11 2ctm n ALA 34 Cb 0.00 0.01 0.30 0.00 0.00 0.00 0.00 19.45 19.76 2ctm n ALA 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2ctm n ARG 35 N -3.39 3.51 -2.01 0.00 0.63 -1.26 -4.92 116.66 109.22 2ctm n ARG 35 Ca -0.05 -2.76 0.00 0.00 -0.92 0.00 0.00 57.85 54.11 2ctm n ARG 35 Cb 0.19 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.29 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctm n GLY 36 N 0.49 0.82 0.11 5.14 0.00 -1.18 -5.00 105.19 105.56 2ctm n GLY 36 Ca 0.22 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.65 0.55 -0.13 1.61 4.01 -1.23 -3.12 118.16 119.20 2ctm n LYS 37 Ca 0.00 0.49 0.24 0.00 -0.51 0.00 0.00 58.31 58.53 2ctm n LYS 37 Cb 0.43 -1.67 0.68 0.00 -0.51 0.00 0.00 35.03 33.96 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 -0.69 2.64 0.00 7.82 0.00 -1.80 0.18 119.26 127.41 2ctm h ALA 38 Ca -0.37 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 2ctm h ALA 38 Cb 1.26 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2ctm h ALA 38 CO -0.22 -0.86 -1.33 0.97 0.00 0.00 0.00 179.25 177.80 2ctm h ILE 39 N 0.07 1.14 0.54 0.00 6.09 -1.57 -3.36 117.51 120.41 2ctm h ILE 39 Ca 0.38 -2.87 -0.03 0.00 -1.37 0.00 0.00 64.86 60.97 2ctm h ILE 39 Cb 1.40 2.54 0.01 0.00 0.47 0.00 0.00 36.82 41.23 2ctm h ILE 39 CO -0.03 0.65 -0.26 -0.09 -3.07 0.00 0.00 178.15 175.35 2ctm h ARG 40 N 0.00 -0.69 -1.13 2.19 1.12 -0.60 -2.54 114.38 112.72 2ctm h ARG 40 Ca -0.15 0.05 0.33 0.00 -1.11 0.00 0.00 59.98 59.10 2ctm h ARG 40 Cb 1.84 0.16 -0.12 0.00 -0.01 0.00 0.00 29.97 31.84 2ctm h ARG 40 CO 0.09 -0.42 0.71 1.57 -3.11 0.00 0.00 179.97 178.82 2ctm h LYS 41 N -0.83 0.27 -0.23 0.20 2.10 -1.57 0.85 116.57 117.36 2ctm h LYS 41 Ca -0.07 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 2ctm h LYS 41 Cb 0.60 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2ctm h LYS 41 CO 0.12 0.18 -0.39 0.82 -2.00 0.00 0.00 179.45 178.18 2ctm h ILE 42 N 0.28 1.30 0.26 0.07 2.04 -1.63 -0.94 117.51 118.88 2ctm h ILE 42 Ca 0.70 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2ctm h ILE 42 Cb 1.90 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2ctm h ILE 42 CO -0.40 0.48 -0.13 0.24 0.00 0.00 0.00 178.15 178.35 2ctm h MET 43 N 0.44 -0.34 0.00 2.37 2.86 0.11 -3.05 114.93 117.31 2ctm h MET 43 Ca 0.04 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2ctm h MET 43 Cb 0.88 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2ctm h MET 43 CO 0.07 -0.01 -0.15 -0.44 1.06 0.00 0.00 176.91 177.44 2ctm h ASP 44 N -0.72 0.00 -0.30 1.22 5.19 -1.32 0.87 116.42 121.37 2ctm h ASP 44 Ca -0.04 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.43 2ctm h ASP 44 Cb 0.49 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.94 2ctm h ASP 44 CO 0.06 0.15 -0.05 -0.08 -3.12 0.00 0.00 179.24 176.20 2ctm h GLU 45 N 0.00 0.03 -0.15 3.56 4.81 -1.06 -2.99 114.58 118.78 2ctm h GLU 45 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctm h GLU 45 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2ctm h GLU 45 CO 0.02 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.51 2ctm n PHE 46 N -5.22 0.20 -3.43 0.92 3.01 -1.12 -4.99 117.46 106.83 2ctm n PHE 46 Ca -0.00 -0.34 -0.20 0.00 1.01 0.00 0.00 57.45 57.92 2ctm n PHE 46 Cb 0.17 -0.02 0.08 0.00 -0.01 0.00 0.00 39.48 39.69 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 -6.86 -4.33 -1.08 4.01 0.27 -4.87 118.16 105.54 2ctm n LYS 47 Ca 0.06 0.76 -0.25 0.00 -0.51 0.00 0.00 58.31 58.38 2ctm n LYS 47 Cb 0.30 -5.57 -0.09 0.00 -0.51 0.00 0.00 35.03 29.16 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 -3.30 3.15 -0.30 -0.18 -7.23 0.68 -4.82 120.40 108.40 2ctm s VAL 48 Ca 0.36 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2ctm s VAL 48 Cb -0.16 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2ctm s VAL 48 CO 0.66 -0.27 0.04 -1.81 -0.31 0.00 0.00 175.10 173.41 2ctm s ASP 49 N -3.30 4.99 -0.15 4.85 1.11 -1.11 -4.46 116.67 118.59 2ctm s ASP 49 Ca 0.28 -1.01 -0.15 0.00 0.18 0.00 0.00 52.55 51.86 2ctm s ASP 49 Cb -0.07 -1.80 -0.05 0.00 1.07 0.00 0.00 42.92 42.08 2ctm s ASP 49 CO 0.17 -0.24 0.35 -0.63 1.18 0.00 0.00 175.17 176.00 2ctm s ILE 50 N 1.38 5.27 -0.22 0.77 1.01 -1.26 -1.21 121.20 126.94 2ctm s ILE 50 Ca -0.01 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.32 2ctm s ILE 50 Cb -0.18 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.65 2ctm s ILE 50 CO 0.01 0.37 -0.08 -0.60 0.00 0.00 0.00 174.94 174.64 2ctm s ARG 51 N 0.49 1.88 0.50 2.79 6.06 -0.55 -4.99 118.95 125.13 2ctm s ARG 51 Ca 0.19 -0.95 -0.17 0.00 -2.50 0.00 0.00 55.73 52.30 2ctm s ARG 51 Cb -0.14 -2.53 -0.08 0.00 0.06 0.00 0.00 34.95 32.26 2ctm s ARG 51 CO 0.06 -0.51 0.99 -0.06 -2.50 0.00 0.00 175.30 173.27 2ctm s PHE 52 N 1.37 3.38 -0.05 5.12 0.08 -1.26 -1.49 117.98 125.13 2ctm s PHE 52 Ca -0.04 1.50 -0.30 0.00 0.12 0.00 0.00 56.93 58.21 2ctm s PHE 52 Cb -0.18 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.40 2ctm s PHE 52 CO -0.07 -0.38 1.48 -1.25 -0.10 0.00 0.00 175.22 174.90 2ctm s PRO 53 N -3.89 4.23 1.09 0.24 0.04 -1.25 -4.95 135.00 130.51 2ctm s PRO 53 Ca 0.60 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.49 2ctm s PRO 53 Cb -0.10 -3.77 0.24 0.00 0.04 0.00 0.00 34.50 30.91 2ctm s PRO 53 CO 0.28 -0.71 1.12 1.14 0.04 0.00 0.00 177.00 178.87 2ctm s GLN 54 N 3.25 -0.35 0.38 4.56 -2.07 -1.26 -4.80 119.66 119.36 2ctm s GLN 54 Ca 0.66 0.13 0.26 0.00 -1.82 0.00 0.00 55.36 54.60 2ctm s GLN 54 Cb -0.31 -1.68 1.37 0.00 -1.09 0.00 0.00 33.01 31.30 2ctm s GLN 54 CO 0.26 -3.17 1.79 0.66 -1.32 0.00 0.00 175.29 173.50 2ctm h SER 55 N -2.20 0.00 -0.07 12.60 4.64 -2.02 0.02 113.55 126.52 2ctm h SER 55 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2ctm h SER 55 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2ctm h SER 55 CO 0.45 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2ctm n GLY 56 N -1.11 0.25 3.76 -0.77 0.00 -1.26 -5.01 105.19 101.04 2ctm n GLY 56 Ca -0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.05 2.80 0.09 4.61 0.00 -0.01 -4.96 121.76 123.24 2ctm s ALA 57 Ca 0.16 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2ctm s ALA 57 Cb 0.11 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2ctm s ALA 57 CO 0.16 -0.92 1.42 -1.00 0.00 0.00 0.00 175.76 175.42 2ctm h PRO 58 N 1.52 0.67 -3.61 0.00 0.13 -1.95 -3.38 132.00 125.38 2ctm h PRO 58 Ca -0.50 -0.35 -0.71 0.00 -0.87 0.00 0.00 66.00 63.57 2ctm h PRO 58 Cb 1.27 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.07 2ctm h PRO 58 CO 0.58 0.96 -0.31 -0.51 -0.23 0.00 0.00 178.00 178.49 2ctm s ASP 59 N -6.51 5.41 0.00 1.44 1.01 -1.26 -4.91 116.67 111.85 2ctm s ASP 59 Ca -0.12 -2.85 0.11 0.00 0.71 0.00 0.00 52.55 50.40 2ctm s ASP 59 Cb 0.08 -1.89 0.68 0.00 1.01 0.00 0.00 42.92 42.80 2ctm s ASP 59 CO 0.82 -0.39 1.11 -0.81 0.21 0.00 0.00 175.17 176.12 2ctm n PRO 60 N 3.53 0.49 -0.03 8.23 -0.04 -1.26 -1.81 135.00 144.11 2ctm n PRO 60 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2ctm n PRO 60 Cb 0.39 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2ctm n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ctm n ASN 61 N -0.86 1.84 -4.23 3.54 5.03 -1.26 -4.42 115.26 114.90 2ctm n ASN 61 Ca 0.09 -2.12 -0.24 0.00 0.87 0.00 0.00 54.58 53.17 2ctm n ASN 61 Cb 0.04 -0.09 -0.14 0.00 -1.02 0.00 0.00 39.78 38.57 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ctm s VAL 63 N -0.84 1.64 -0.45 0.00 -7.23 -0.37 -3.85 120.40 109.30 2ctm s VAL 63 Ca 0.06 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 59.01 2ctm s VAL 63 Cb -0.09 -1.39 0.04 0.00 0.56 0.00 0.00 36.38 35.50 2ctm s VAL 63 CO 0.02 0.33 0.51 -0.89 -0.31 0.00 0.00 175.10 174.77 2ctm s THR 64 N -0.64 5.00 -0.24 5.32 2.01 -0.56 -1.00 115.64 125.54 2ctm s THR 64 Ca 0.08 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 2ctm s THR 64 Cb -0.08 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2ctm s THR 64 CO 0.00 -0.57 0.14 -0.69 -0.69 0.00 0.00 174.62 172.82 2ctm s VAL 65 N 2.32 5.12 0.28 3.82 1.01 -0.27 -1.48 120.40 131.20 2ctm s VAL 65 Ca 0.14 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2ctm s VAL 65 Cb -0.18 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2ctm s VAL 65 CO 0.13 0.34 0.35 -0.89 0.00 0.00 0.00 175.10 175.04 2ctm s THR 66 N 1.19 4.61 0.00 3.92 2.01 -0.35 -1.34 115.64 125.67 2ctm s THR 66 Ca 0.07 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2ctm s THR 66 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2ctm s THR 66 CO 0.05 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2ctm n GLY 67 N -1.43 3.31 3.30 4.40 0.00 -1.17 -2.77 105.19 110.84 2ctm n GLY 67 Ca -0.06 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.94 0.16 0.99 7.99 -1.26 -1.85 117.00 121.09 2ctm n LEU 68 Ca 0.00 0.48 0.13 0.00 -0.01 0.00 0.00 56.01 56.61 2ctm n LEU 68 Cb 0.00 -1.02 0.54 0.00 -0.11 0.00 0.00 43.42 42.83 2ctm n LEU 68 CO 0.00 -4.25 0.89 1.55 -1.51 0.00 0.00 177.39 174.07 2ctm h PRO 69 N -0.56 0.00 0.00 3.23 0.13 -1.88 0.33 132.00 133.25 2ctm h PRO 69 Ca -0.44 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.41 2ctm h PRO 69 Cb 1.35 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 2ctm h PRO 69 CO 0.37 0.00 -1.77 -0.85 -0.23 0.00 0.00 178.00 175.51 2ctm n GLU 70 N -2.43 0.64 0.03 0.86 -0.00 -1.26 -3.75 120.64 114.73 2ctm n GLU 70 Ca 0.02 0.23 -0.20 0.00 -0.00 0.00 0.00 57.16 57.21 2ctm n GLU 70 Cb 0.24 -1.75 -0.14 0.00 -0.00 0.00 0.00 31.44 29.79 2ctm n GLU 70 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2ctm h ASN 71 N 0.00 0.44 -0.21 -1.84 2.35 -1.83 -3.34 115.58 111.15 2ctm h ASN 71 Ca -0.30 -0.81 0.01 0.00 -0.55 0.00 0.00 56.30 54.65 2ctm h ASN 71 Cb 1.97 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 40.18 2ctm h ASN 71 CO 0.06 1.71 0.11 0.58 -1.65 0.00 0.00 177.43 178.24 2ctm h VAL 72 N 0.08 1.00 -0.74 2.81 2.07 -1.13 -1.28 116.25 119.06 2ctm h VAL 72 Ca -0.37 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.20 2ctm h VAL 72 Cb 2.05 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 2ctm h VAL 72 CO 0.12 0.04 0.34 1.05 0.02 0.00 0.00 177.57 179.14 2ctm h GLU 73 N 0.23 0.51 -0.09 1.57 4.11 -1.73 0.90 114.58 120.08 2ctm h GLU 73 Ca 0.08 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.39 2ctm h GLU 73 Cb 0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2ctm h GLU 73 CO -0.05 0.34 -0.36 0.93 0.07 0.00 0.00 179.01 179.93 2ctm h GLU 74 N 0.53 0.18 -0.12 1.06 5.08 -1.58 -2.92 114.58 116.81 2ctm h GLU 74 Ca 0.39 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2ctm h GLU 74 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ctm h GLU 74 CO -0.34 0.53 -0.13 0.00 -1.00 0.00 0.00 179.01 178.07 2ctm h ALA 75 N 1.47 0.18 0.19 3.43 0.00 0.25 -3.16 119.26 121.62 2ctm h ALA 75 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ctm h ALA 75 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ctm h ALA 75 CO 0.05 0.04 -0.35 0.82 0.00 0.00 0.00 179.25 179.82 2ctm h ILE 76 N -0.10 0.27 -1.04 0.00 2.04 -0.87 -0.36 117.51 117.45 2ctm h ILE 76 Ca 0.02 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.20 2ctm h ILE 76 Cb 0.66 0.27 -0.14 0.00 -0.74 0.00 0.00 36.82 36.87 2ctm h ILE 76 CO 0.03 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 178.02 2ctm h ASP 77 N -0.63 0.50 -0.07 1.72 3.58 -1.59 0.54 116.42 120.48 2ctm h ASP 77 Ca 0.01 0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.43 2ctm h ASP 77 Cb 0.63 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2ctm h ASP 77 CO -0.17 -0.08 -0.70 -0.74 -2.88 0.00 0.00 179.24 174.67 2ctm h HIS 78 N 0.34 0.93 0.82 0.28 2.76 -1.27 -2.42 115.15 116.59 2ctm h HIS 78 Ca 0.72 -0.39 -0.04 0.00 -2.20 0.00 0.00 60.37 58.46 2ctm h HIS 78 Cb 1.69 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 30.51 2ctm h HIS 78 CO -0.01 1.19 -0.40 0.82 -1.30 0.00 0.00 177.93 178.24 2ctm h ILE 79 N 0.50 0.15 -0.35 6.26 2.04 0.17 -2.78 117.51 123.48 2ctm h ILE 79 Ca -0.03 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.81 2ctm h ILE 79 Cb 1.31 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2ctm h ILE 79 CO 0.14 0.01 0.24 -0.07 0.00 0.00 0.00 178.15 178.47 2ctm h LEU 80 N -1.17 0.25 -0.59 1.44 3.38 -1.25 -1.86 115.31 115.51 2ctm h LEU 80 Ca -0.11 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2ctm h LEU 80 Cb 0.86 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2ctm h LEU 80 CO 0.19 0.17 0.29 -1.13 0.09 0.00 0.00 178.44 178.04 2ctm h ASN 81 N 0.29 0.39 1.04 -0.43 -1.24 -1.17 -1.32 115.58 113.13 2ctm h ASN 81 Ca 0.15 0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.09 2ctm h ASN 81 Cb 0.25 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2ctm h ASN 81 CO -0.03 0.25 -0.56 -0.07 -1.29 0.00 0.00 177.43 175.73 2ctm h LEU 82 N 0.54 0.00 -0.46 0.34 3.38 -1.11 -3.12 115.31 114.87 2ctm h LEU 82 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2ctm h LEU 82 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2ctm h LEU 82 CO -0.21 0.56 0.27 -0.08 0.09 0.00 0.00 178.44 179.07 2ctm h GLU 83 N 0.00 0.64 -0.19 1.13 4.22 -0.61 -0.10 114.58 119.67 2ctm h GLU 83 Ca -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.33 2ctm h GLU 83 Cb 1.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2ctm h GLU 83 CO 0.07 0.48 -0.04 1.49 -2.18 0.00 0.00 179.01 178.84 2ctm h GLU 84 N 0.62 0.36 -0.87 1.92 4.57 -1.42 -1.17 114.58 118.59 2ctm h GLU 84 Ca 0.17 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2ctm h GLU 84 Cb 0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 2ctm h GLU 84 CO -0.03 0.61 0.58 1.49 -1.18 0.00 0.00 179.01 180.48 2ctm h GLU 85 N 0.09 1.10 0.50 1.92 4.57 -1.46 -0.44 114.58 120.86 2ctm h GLU 85 Ca 0.05 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2ctm h GLU 85 Cb 0.47 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2ctm h GLU 85 CO 0.02 0.73 -0.24 1.88 -1.18 0.00 0.00 179.01 180.22 2ctm h TYR 86 N 1.13 -0.62 -0.77 0.92 0.05 -0.91 -3.27 116.97 113.51 2ctm h TYR 86 Ca 0.33 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 59.26 2ctm h TYR 86 Cb -0.05 0.20 -0.10 0.00 1.01 0.00 0.00 36.73 37.79 2ctm h TYR 86 CO -0.00 -0.35 0.28 -0.07 -1.05 0.00 0.00 178.16 176.97 2ctm h LEU 87 N -1.14 0.20 -1.27 3.88 3.38 -1.14 0.55 115.31 119.77 2ctm h LEU 87 Ca -0.07 0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.41 2ctm h LEU 87 Cb 0.54 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 2ctm h LEU 87 CO 0.11 0.05 0.73 0.00 0.09 0.00 0.00 178.44 179.42 2ctm h ALA 88 N 1.59 2.42 -1.78 1.53 0.00 -1.12 -1.57 119.26 120.34 2ctm h ALA 88 Ca 0.44 0.14 -0.78 0.00 0.00 0.00 0.00 54.91 54.70 2ctm h ALA 88 Cb 0.72 0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.39 2ctm h ALA 88 CO -0.46 -1.02 0.69 -3.47 0.00 0.00 0.00 179.25 174.99 2ctm n ASP 89 N -4.81 6.39 -4.05 0.00 -0.08 0.18 -4.96 116.55 109.22 2ctm n ASP 89 Ca 0.34 -3.50 -0.32 0.00 -1.51 0.00 0.00 54.79 49.80 2ctm n ASP 89 Cb 1.22 -1.17 -0.15 0.00 2.34 0.00 0.00 41.12 43.36 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ctm s SER 90 N -1.81 3.90 0.91 1.67 1.04 -0.59 -5.01 113.70 113.81 2ctm s SER 90 Ca 0.34 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2ctm s SER 90 Cb 0.10 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2ctm s SER 90 CO 0.03 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2ctm n GLY 91 N 4.54 0.92 3.71 7.32 0.00 -1.26 -4.64 105.19 115.78 2ctm n GLY 91 Ca -0.15 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 4.32 -0.13 1.61 0.04 -1.26 -4.92 135.00 134.66 2ctm s PRO 92 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2ctm s PRO 92 Cb 0.00 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2ctm s PRO 92 CO 0.00 -0.45 -0.16 0.45 0.04 0.00 0.00 177.00 176.89 2ctm n SER 93 N 4.20 1.25 -4.55 6.66 2.88 -1.26 -4.89 113.62 117.90 2ctm n SER 93 Ca 0.12 0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.37 2ctm n SER 93 Cb 0.43 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 2ctm n SER 93 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctm s SER 94 N -6.01 6.30 0.00 -3.46 0.15 -1.26 -5.21 113.70 104.21 2ctm s SER 94 Ca -0.18 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2ctm s SER 94 Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2ctm s SER 94 CO 0.24 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.59