#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 4.67 0.02 1.61 0.15 -1.26 -5.14 113.70 113.76 2ctm s SER 2 Ca 0.00 -0.58 0.07 0.00 0.70 0.00 0.00 55.95 56.13 2ctm s SER 2 Cb 0.00 -0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 63.36 2ctm s SER 2 CO 0.00 0.00 -0.19 -0.44 1.20 0.00 0.00 173.24 173.81 2ctm s SER 3 N -3.65 3.69 0.05 5.45 0.01 -1.26 -5.12 113.70 112.87 2ctm s SER 3 Ca 0.31 -0.42 -0.28 0.00 1.31 0.00 0.00 55.95 56.87 2ctm s SER 3 Cb -0.07 -0.58 0.10 0.00 0.21 0.00 0.00 66.02 65.68 2ctm s SER 3 CO 0.20 0.27 1.17 -0.83 0.41 0.00 0.00 173.24 174.47 2ctm s GLY 4 N -1.25 -0.30 0.12 3.44 0.00 -1.26 -5.17 107.32 102.90 2ctm s GLY 4 Ca 0.13 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.30 2ctm s GLY 4 CO 0.04 0.64 0.03 -0.56 0.00 0.00 0.00 173.10 173.25 2ctm s SER 5 N -3.06 5.10 -0.14 1.64 0.01 -1.26 -5.12 113.70 110.88 2ctm s SER 5 Ca 0.15 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.23 2ctm s SER 5 Cb 0.02 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 65.03 2ctm s SER 5 CO -0.01 0.14 -0.20 -0.94 0.41 0.00 0.00 173.24 172.64 2ctm s SER 6 N -2.59 3.27 -0.46 2.44 1.04 -1.26 -5.02 113.70 111.13 2ctm s SER 6 Ca 0.27 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 56.21 2ctm s SER 6 Cb -0.11 -1.48 0.32 0.00 0.10 0.00 0.00 66.02 64.85 2ctm s SER 6 CO 0.20 0.09 1.09 0.61 0.98 0.00 0.00 173.24 176.20 2ctm n GLY 7 N 4.03 0.77 3.90 7.32 0.00 -1.26 -5.15 105.19 114.80 2ctm n GLY 7 Ca -0.20 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 0.12 3.09 0.22 1.61 1.81 -1.26 -5.09 118.95 119.45 2ctm s ARG 8 Ca 0.23 0.25 -0.22 0.00 -1.72 0.00 0.00 55.73 54.28 2ctm s ARG 8 Cb 0.29 -2.20 0.06 0.00 -0.45 0.00 0.00 34.95 32.66 2ctm s ARG 8 CO -0.06 -0.69 0.93 0.96 -0.68 0.00 0.00 175.30 175.76 2ctm s ILE 9 N -3.08 0.00 -0.15 1.52 -4.36 -1.26 -5.07 121.20 108.80 2ctm s ILE 9 Ca 0.54 -0.74 0.02 0.00 -0.26 0.00 0.00 60.65 60.21 2ctm s ILE 9 Cb -0.11 -2.48 -0.11 0.00 1.25 0.00 0.00 42.46 41.02 2ctm s ILE 9 CO 0.48 0.00 -0.11 0.52 0.24 0.00 0.00 174.94 176.07 2ctm n VAL 10 N -0.56 0.88 -1.03 8.37 0.31 -1.26 -5.06 118.33 119.98 2ctm n VAL 10 Ca -0.05 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2ctm n VAL 10 Cb 0.60 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 2.70 -2.00 3.62 2.92 0.00 -1.26 -4.80 105.19 106.38 2ctm n GLY 11 Ca -0.26 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.10 3.07 0.23 1.61 2.02 -1.26 -5.02 118.70 119.26 2ctm s GLU 12 Ca 0.00 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.36 2ctm s GLU 12 Cb 0.00 -2.77 0.25 0.00 0.10 0.00 0.00 34.13 31.70 2ctm s GLU 12 CO 0.00 0.60 1.56 -0.07 0.02 0.00 0.00 175.26 177.37 2ctm h LEU 13 N 5.50 -1.30 -0.82 1.80 3.38 -1.95 0.58 115.31 122.50 2ctm h LEU 13 Ca -0.46 0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2ctm h LEU 13 Cb 1.19 0.70 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 2ctm h LEU 13 CO 0.56 -0.29 0.54 -0.33 0.09 0.00 0.00 178.44 179.00 2ctm h GLU 14 N -0.03 1.07 -0.39 1.13 5.08 -2.03 -1.82 114.58 117.59 2ctm h GLU 14 Ca 0.34 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2ctm h GLU 14 Cb 0.60 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2ctm h GLU 14 CO -0.93 0.70 0.26 1.96 -1.00 0.00 0.00 179.01 180.01 2ctm h GLN 15 N 1.10 0.39 -7.12 2.33 1.08 -0.34 -3.43 115.11 109.12 2ctm h GLN 15 Ca 0.30 -0.02 -0.54 0.00 -1.45 0.00 0.00 58.65 56.94 2ctm h GLN 15 Cb -0.11 -0.09 0.18 0.00 -0.05 0.00 0.00 27.48 27.41 2ctm h GLN 15 CO -0.07 0.26 0.30 -1.33 -0.95 0.00 0.00 178.83 177.03 2ctm n MET 16 N -4.48 0.41 -5.00 1.46 2.81 -0.10 -4.70 117.12 107.51 2ctm n MET 16 Ca 0.04 0.21 -0.27 0.00 -1.81 0.00 0.00 57.70 55.87 2ctm n MET 16 Cb 0.17 -2.40 -0.16 0.00 -0.71 0.00 0.00 33.22 30.12 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 -1.93 1.63 -0.43 2.03 -7.23 0.78 -4.77 120.40 110.48 2ctm s VAL 17 Ca 0.75 -0.87 -0.17 0.00 -1.81 0.00 0.00 61.98 59.88 2ctm s VAL 17 Cb -0.32 -1.36 0.03 0.00 0.56 0.00 0.00 36.38 35.29 2ctm s VAL 17 CO 0.49 0.46 0.43 -0.44 -0.31 0.00 0.00 175.10 175.73 2ctm s SER 18 N -0.40 6.19 0.30 4.85 0.01 -1.26 -1.70 113.70 121.68 2ctm s SER 18 Ca 0.06 -0.74 0.07 0.00 1.31 0.00 0.00 55.95 56.65 2ctm s SER 18 Cb -0.09 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2ctm s SER 18 CO -0.00 -0.59 0.26 -1.61 0.41 0.00 0.00 173.24 171.71 2ctm s GLU 19 N 2.09 2.84 -0.25 12.44 2.02 0.71 -4.91 118.70 133.64 2ctm s GLU 19 Ca 0.11 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 53.93 2ctm s GLU 19 Cb -0.18 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.55 2ctm s GLU 19 CO 0.13 0.24 -0.08 0.16 0.02 0.00 0.00 175.26 175.72 2ctm s ASP 20 N -3.93 4.26 -0.24 -0.19 -4.77 -1.26 -0.48 116.67 110.06 2ctm s ASP 20 Ca 0.37 -1.01 -0.07 0.00 -3.30 0.00 0.00 52.55 48.54 2ctm s ASP 20 Cb -0.07 -1.62 -0.03 0.00 -1.09 0.00 0.00 42.92 40.11 2ctm s ASP 20 CO 0.26 -0.14 0.07 -0.69 0.70 0.00 0.00 175.17 175.37 2ctm s VAL 21 N 1.26 4.42 -0.64 2.11 1.01 -0.09 -4.90 120.40 123.57 2ctm s VAL 21 Ca -0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 2ctm s VAL 21 Cb -0.17 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2ctm s VAL 21 CO -0.05 0.36 1.87 -2.16 0.00 0.00 0.00 175.10 175.11 2ctm s PRO 22 N 1.37 2.62 -0.16 2.72 0.04 -1.26 -1.51 135.00 138.81 2ctm s PRO 22 Ca 0.05 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2ctm s PRO 22 Cb -0.15 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.94 2ctm s PRO 22 CO 0.04 -2.79 -0.16 -1.17 0.04 0.00 0.00 177.00 172.95 2ctm s LEU 23 N 9.16 2.39 0.66 -3.56 2.96 0.12 -4.98 118.68 125.44 2ctm s LEU 23 Ca 0.67 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 2ctm s LEU 23 Cb -0.12 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2ctm s LEU 23 CO 0.19 0.06 0.91 -0.67 -1.32 0.00 0.00 176.35 175.51 2ctm n ASP 24 N 4.23 0.38 0.08 3.68 -0.08 -1.26 -3.98 116.55 119.60 2ctm n ASP 24 Ca -0.19 0.72 0.13 0.00 -1.51 0.00 0.00 54.79 53.94 2ctm n ASP 24 Cb 0.51 -1.37 0.46 0.00 2.34 0.00 0.00 41.12 43.06 2ctm n ASP 24 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2ctm n HIS 25 N -2.13 0.68 0.10 -0.67 -0.00 -1.26 -2.23 115.22 109.70 2ctm n HIS 25 Ca 0.13 0.21 -0.03 0.00 -0.00 0.00 0.00 57.72 58.03 2ctm n HIS 25 Cb 0.49 -0.84 -0.03 0.00 -0.00 0.00 0.00 29.99 29.60 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 3.08 -1.94 -3.26 114.38 113.83 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2ctm h ARG 26 CO 0.00 0.78 -0.89 1.33 -1.07 0.00 0.00 179.97 180.12 2ctm n VAL 27 N -3.35 0.00 0.00 2.04 0.24 -1.18 -4.51 118.33 111.57 2ctm n VAL 27 Ca 0.01 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2ctm n VAL 27 Cb 0.83 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 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 -1.35 0.00 -0.32 6.34 8.25 -0.95 -1.08 115.22 126.11 2ctm n HIS 28 Ca 0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.60 2ctm n HIS 28 Cb 0.32 -0.45 0.31 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.46 1.69 -0.92 -1.41 0.00 -1.82 0.69 119.26 116.03 2ctm h ALA 29 Ca 0.00 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2ctm h ALA 29 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 2ctm h ALA 29 CO 0.00 0.05 0.59 0.00 0.00 0.00 0.00 179.25 179.89 2ctm h ARG 30 N 0.83 0.67 0.03 0.00 -0.00 -1.59 -1.28 114.38 113.05 2ctm h ARG 30 Ca 0.49 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.98 59.75 2ctm h ARG 30 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.45 2ctm h ARG 30 CO -0.25 0.45 -0.95 0.82 0.00 0.00 0.00 179.97 180.03 2ctm h ILE 31 N 0.70 1.19 -0.74 2.04 2.04 0.61 -3.37 117.51 119.98 2ctm h ILE 31 Ca 0.48 -2.29 0.15 0.00 1.00 0.00 0.00 64.86 64.20 2ctm h ILE 31 Cb 0.79 2.68 -0.14 0.00 -0.74 0.00 0.00 36.82 39.41 2ctm h ILE 31 CO -0.23 0.50 -0.19 0.40 0.00 0.00 0.00 178.15 178.63 2ctm h ILE 32 N -0.81 0.26 0.00 -0.67 2.04 -0.64 -2.98 117.51 114.71 2ctm h ILE 32 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ctm h ILE 32 Cb 1.34 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2ctm h ILE 32 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.68 2ctm n GLY 33 N -1.49 0.96 0.33 5.37 0.00 -0.51 -2.60 105.19 107.25 2ctm n GLY 33 Ca 0.10 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.78 -0.45 4.61 0.00 -1.92 -3.32 119.26 117.40 2ctm h ALA 34 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ctm h ALA 34 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ctm h ALA 34 CO 0.00 -0.76 0.00 0.54 0.00 0.00 0.00 179.25 179.03 2ctm n ARG 35 N -5.31 3.37 -1.72 0.00 1.74 -1.26 -4.92 116.66 108.56 2ctm n ARG 35 Ca -0.10 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 2ctm n ARG 35 Cb 0.33 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ctm n GLY 36 N 0.41 0.41 0.11 -0.13 0.00 -1.25 -4.97 105.19 99.77 2ctm n GLY 36 Ca 0.21 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 2ctm n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctm h LYS 37 N 0.00 0.06 -0.94 1.61 1.79 -1.87 -3.17 116.57 114.05 2ctm h LYS 37 Ca 0.00 -0.11 0.25 0.00 -2.18 0.00 0.00 60.65 58.61 2ctm h LYS 37 Cb 0.74 0.04 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 2ctm h LYS 37 CO 0.00 1.05 0.45 0.00 -1.08 0.00 0.00 179.45 179.88 2ctm h ALA 38 N -0.33 1.60 0.00 3.86 0.00 -1.78 0.52 119.26 123.13 2ctm h ALA 38 Ca -0.32 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2ctm h ALA 38 Cb 1.42 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2ctm h ALA 38 CO -0.12 -0.38 -0.67 0.97 0.00 0.00 0.00 179.25 179.04 2ctm h ILE 39 N 0.41 1.25 0.34 0.00 6.09 -1.34 -3.30 117.51 120.97 2ctm h ILE 39 Ca 0.61 -2.52 -0.01 0.00 -1.37 0.00 0.00 64.86 61.57 2ctm h ILE 39 Cb 1.22 2.45 -0.00 0.00 0.47 0.00 0.00 36.82 40.96 2ctm h ILE 39 CO -0.55 0.66 -0.20 -0.09 -3.07 0.00 0.00 178.15 174.90 2ctm h ARG 40 N 0.00 -0.50 -0.43 2.19 9.65 0.06 -0.98 114.38 124.38 2ctm h ARG 40 Ca -0.01 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 2ctm h ARG 40 Cb 1.40 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 30.07 2ctm h ARG 40 CO 0.09 -0.33 0.30 1.57 2.80 0.00 0.00 179.97 184.40 2ctm h LYS 41 N -0.52 0.02 -0.17 0.20 2.10 -1.50 -0.66 116.57 116.05 2ctm h LYS 41 Ca -0.04 -0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.40 2ctm h LYS 41 Cb 0.43 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2ctm h LYS 41 CO 0.04 0.02 -0.71 0.82 -2.00 0.00 0.00 179.45 177.62 2ctm h ILE 42 N 0.02 1.29 0.36 0.07 2.04 -1.45 -1.79 117.51 118.05 2ctm h ILE 42 Ca 0.20 -1.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 2ctm h ILE 42 Cb 0.78 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2ctm h ILE 42 CO -0.01 0.61 -0.17 0.24 0.00 0.00 0.00 178.15 178.82 2ctm h MET 43 N 0.51 -0.46 -0.61 2.37 2.86 0.15 -3.10 114.93 116.65 2ctm h MET 43 Ca -0.04 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2ctm h MET 43 Cb 1.34 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 33.07 2ctm h MET 43 CO 0.15 -0.16 0.40 -0.44 1.06 0.00 0.00 176.91 177.93 2ctm h ASP 44 N -0.80 0.64 -0.23 1.22 3.32 -1.35 1.58 116.42 120.80 2ctm h ASP 44 Ca -0.05 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.05 2ctm h ASP 44 Cb 0.52 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 2ctm h ASP 44 CO 0.08 0.45 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.68 2ctm h GLU 45 N 0.75 -0.30 -0.33 3.56 4.57 -1.26 -2.29 114.58 119.29 2ctm h GLU 45 Ca 0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2ctm h GLU 45 Cb 0.02 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 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 -5.40 0.42 -3.62 0.92 3.72 -1.04 -4.97 117.46 107.49 2ctm n PHE 46 Ca -0.01 -0.25 -0.22 0.00 -0.05 0.00 0.00 57.45 56.91 2ctm n PHE 46 Cb 0.32 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.91 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ctm n LYS 47 N 1.24 -6.42 -4.42 -1.08 4.76 0.51 -4.80 118.16 107.94 2ctm n LYS 47 Ca 0.16 0.75 -0.26 0.00 -2.87 0.00 0.00 58.31 56.09 2ctm n LYS 47 Cb 0.54 -5.65 -0.11 0.00 -1.84 0.00 0.00 35.03 27.97 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 -3.41 2.51 -0.45 -0.18 -7.23 0.56 -4.85 120.40 107.35 2ctm s VAL 48 Ca 0.27 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 2ctm s VAL 48 Cb -0.13 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.68 2ctm s VAL 48 CO 0.77 -0.22 0.29 -1.81 -0.31 0.00 0.00 175.10 173.82 2ctm s ASP 49 N -3.00 5.52 -0.06 4.85 1.01 -0.70 -4.46 116.67 119.83 2ctm s ASP 49 Ca 0.25 -1.96 -0.26 0.00 0.71 0.00 0.00 52.55 51.29 2ctm s ASP 49 Cb -0.07 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 2ctm s ASP 49 CO 0.12 -0.63 0.80 -0.63 0.21 0.00 0.00 175.17 175.04 2ctm s ILE 50 N 1.27 4.97 -0.25 0.77 1.01 -1.26 -0.79 121.20 126.92 2ctm s ILE 50 Ca 0.07 1.66 0.02 0.00 0.00 0.00 0.00 60.65 62.40 2ctm s ILE 50 Cb -0.25 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.14 2ctm s ILE 50 CO -0.02 0.19 -0.11 -0.60 0.00 0.00 0.00 174.94 174.40 2ctm s ARG 51 N 1.05 2.36 0.54 2.79 6.06 -0.17 -4.98 118.95 126.60 2ctm s ARG 51 Ca 0.42 -1.27 -0.16 0.00 -2.50 0.00 0.00 55.73 52.22 2ctm s ARG 51 Cb -0.19 -2.88 -0.07 0.00 0.06 0.00 0.00 34.95 31.88 2ctm s ARG 51 CO 0.20 -0.53 1.00 -0.06 -2.50 0.00 0.00 175.30 173.42 2ctm s PHE 52 N 1.14 3.42 -0.05 5.12 0.40 -1.26 -0.74 117.98 126.01 2ctm s PHE 52 Ca -0.07 1.45 -0.30 0.00 -0.60 0.00 0.00 56.93 57.41 2ctm s PHE 52 Cb -0.19 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.48 2ctm s PHE 52 CO -0.06 -0.51 1.49 -1.25 0.70 0.00 0.00 175.22 175.59 2ctm s PRO 53 N -4.24 4.23 1.24 0.24 0.04 -1.25 -4.92 135.00 130.33 2ctm s PRO 53 Ca 0.59 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.45 2ctm s PRO 53 Cb -0.11 -3.78 0.30 0.00 0.04 0.00 0.00 34.50 30.95 2ctm s PRO 53 CO 0.36 -0.72 1.05 1.14 0.04 0.00 0.00 177.00 178.87 2ctm s GLN 54 N 3.31 -1.50 0.53 4.56 -2.07 -1.26 -4.80 119.66 118.43 2ctm s GLN 54 Ca 0.66 0.12 0.19 0.00 -1.82 0.00 0.00 55.36 54.52 2ctm s GLN 54 Cb -0.31 -1.55 1.37 0.00 -1.09 0.00 0.00 33.01 31.44 2ctm s GLN 54 CO 0.26 -3.93 2.15 0.66 -1.32 0.00 0.00 175.29 173.10 2ctm h SER 55 N -2.74 0.00 -0.52 12.60 4.64 -2.02 -1.28 113.55 124.23 2ctm h SER 55 Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 2ctm h SER 55 Cb 1.31 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.28 2ctm h SER 55 CO 0.37 0.00 0.13 0.61 -0.87 0.00 0.00 176.83 177.07 2ctm n GLY 56 N -1.52 4.41 3.80 -0.77 0.00 -1.26 -5.01 105.19 104.85 2ctm n GLY 56 Ca -0.01 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.12 3.14 0.27 4.61 0.00 -0.49 -4.97 121.76 121.20 2ctm s ALA 57 Ca 0.48 0.42 0.18 0.00 0.00 0.00 0.00 51.96 53.05 2ctm s ALA 57 Cb 0.41 -3.13 0.81 0.00 0.00 0.00 0.00 23.12 21.21 2ctm s ALA 57 CO 0.06 0.17 1.81 -1.00 0.00 0.00 0.00 175.76 176.80 2ctm h PRO 58 N 2.50 0.00 -3.08 0.00 0.13 -1.95 -3.37 132.00 126.23 2ctm h PRO 58 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 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 0.63 0.34 -0.71 -0.51 -0.23 0.00 0.00 178.00 177.52 2ctm s ASP 59 N -6.53 3.82 0.00 1.44 1.11 -1.26 -4.95 116.67 110.30 2ctm s ASP 59 Ca -0.01 -2.75 0.15 0.00 0.18 0.00 0.00 52.55 50.12 2ctm s ASP 59 Cb 0.12 -1.19 0.87 0.00 1.07 0.00 0.00 42.92 43.79 2ctm s ASP 59 CO 0.68 -0.25 1.37 -0.81 1.18 0.00 0.00 175.17 177.34 2ctm n PRO 60 N 3.39 0.39 -0.03 8.23 -0.04 -1.26 -1.92 135.00 143.77 2ctm n PRO 60 Ca 0.08 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2ctm n PRO 60 Cb 0.34 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.10 1.88 -4.18 3.54 0.23 -1.26 -4.39 115.26 109.98 2ctm n ASN 61 Ca 0.10 -2.17 -0.23 0.00 -0.53 0.00 0.00 54.58 51.75 2ctm n ASN 61 Cb 0.08 -0.10 -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 -0.75 1.78 -0.49 0.00 -7.23 -0.57 -3.80 120.40 109.33 2ctm s VAL 63 Ca 0.05 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.71 2ctm s VAL 63 Cb -0.08 -1.57 0.11 0.00 0.56 0.00 0.00 36.38 35.41 2ctm s VAL 63 CO 0.01 0.13 0.41 -0.89 -0.31 0.00 0.00 175.10 174.44 2ctm s THR 64 N -0.94 4.73 -0.21 5.32 2.01 0.08 -0.91 115.64 125.71 2ctm s THR 64 Ca 0.08 -1.56 -0.17 0.00 0.31 0.00 0.00 61.69 60.36 2ctm s THR 64 Cb -0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2ctm s THR 64 CO 0.03 -0.77 0.44 -0.69 -0.69 0.00 0.00 174.62 172.95 2ctm s VAL 65 N 1.49 5.16 0.16 3.82 1.01 0.36 -1.00 120.40 131.40 2ctm s VAL 65 Ca 0.04 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2ctm s VAL 65 Cb -0.27 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ctm s VAL 65 CO 0.02 0.21 0.26 -0.89 0.00 0.00 0.00 175.10 174.70 2ctm s THR 66 N 1.55 5.17 0.00 3.92 2.01 0.03 -0.21 115.64 128.11 2ctm s THR 66 Ca 0.20 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2ctm s THR 66 Cb -0.15 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2ctm s THR 66 CO 0.09 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2ctm n GLY 67 N -0.57 3.44 3.36 4.40 0.00 -0.69 -1.72 105.19 113.41 2ctm n GLY 67 Ca -0.07 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.11 0.22 0.99 7.99 -1.26 -0.16 117.00 123.67 2ctm n LEU 68 Ca 0.00 0.58 0.15 0.00 -0.01 0.00 0.00 56.01 56.73 2ctm n LEU 68 Cb 0.00 -1.07 0.62 0.00 -0.11 0.00 0.00 43.42 42.87 2ctm n LEU 68 CO 0.00 -3.87 0.94 1.55 -1.51 0.00 0.00 177.39 174.50 2ctm h PRO 69 N -0.28 0.00 0.06 3.23 0.13 -1.89 0.34 132.00 133.59 2ctm h PRO 69 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 2ctm h PRO 69 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2ctm h PRO 69 CO 0.41 0.00 -1.54 1.05 -0.23 0.00 0.00 178.00 177.68 2ctm h GLU 70 N 0.00 0.13 0.06 0.86 4.11 -2.00 -3.29 114.58 114.45 2ctm h GLU 70 Ca 0.00 -0.22 -0.22 0.00 0.07 0.00 0.00 59.36 58.99 2ctm h GLU 70 Cb 0.43 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ctm h GLU 70 CO 0.00 0.90 -1.13 -0.91 0.07 0.00 0.00 179.01 177.95 2ctm h ASN 71 N 0.04 0.21 -0.71 3.06 2.35 -1.84 -3.33 115.58 115.35 2ctm h ASN 71 Ca -0.23 -0.78 0.15 0.00 -0.55 0.00 0.00 56.30 54.88 2ctm h ASN 71 Cb 1.98 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 40.17 2ctm h ASN 71 CO 0.12 1.48 0.15 0.58 -1.65 0.00 0.00 177.43 178.11 2ctm h VAL 72 N -0.62 0.52 -0.80 2.81 2.07 -1.12 0.76 116.25 119.87 2ctm h VAL 72 Ca -0.26 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2ctm h VAL 72 Cb 1.50 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2ctm h VAL 72 CO -0.03 0.05 0.48 1.05 0.02 0.00 0.00 177.57 179.13 2ctm h GLU 73 N 0.25 0.82 -0.62 1.57 4.11 -1.72 -1.07 114.58 117.91 2ctm h GLU 73 Ca 0.39 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.68 2ctm h GLU 73 Cb 0.66 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2ctm h GLU 73 CO -0.50 0.55 0.03 0.93 0.07 0.00 0.00 179.01 180.08 2ctm h GLU 74 N 0.85 1.08 0.38 1.06 4.39 -1.02 -3.07 114.58 118.23 2ctm h GLU 74 Ca 0.37 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2ctm h GLU 74 Cb 0.24 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ctm h GLU 74 CO -0.20 1.03 -0.18 0.00 -1.16 0.00 0.00 179.01 178.50 2ctm h ALA 75 N 1.03 -0.51 -0.65 3.43 0.00 -0.27 -3.10 119.26 119.18 2ctm h ALA 75 Ca 0.18 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2ctm h ALA 75 Cb 0.53 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 2ctm h ALA 75 CO 0.03 -0.75 -0.38 0.82 0.00 0.00 0.00 179.25 178.97 2ctm h ILE 76 N -0.58 0.11 -0.87 0.00 2.04 -1.21 0.23 117.51 117.22 2ctm h ILE 76 Ca -0.05 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.04 2ctm h ILE 76 Cb 0.43 0.11 -0.14 0.00 -0.74 0.00 0.00 36.82 36.48 2ctm h ILE 76 CO 0.08 0.00 0.22 -0.78 0.00 0.00 0.00 178.15 177.68 2ctm h ASP 77 N -0.16 -0.01 -0.11 1.72 1.82 -1.48 0.61 116.42 118.80 2ctm h ASP 77 Ca 0.23 0.20 -0.10 0.00 -0.39 0.00 0.00 57.03 56.96 2ctm h ASP 77 Cb 0.56 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 2ctm h ASP 77 CO -0.73 -0.15 -0.25 -0.74 -1.61 0.00 0.00 179.24 175.75 2ctm h HIS 78 N 0.21 0.63 0.36 0.28 2.76 -0.55 -1.81 115.15 117.03 2ctm h HIS 78 Ca 0.54 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 2ctm h HIS 78 Cb 1.08 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2ctm h HIS 78 CO -0.27 0.77 -0.17 0.82 -1.30 0.00 0.00 177.93 177.77 2ctm h ILE 79 N 0.49 0.60 -0.53 6.26 2.04 0.16 -2.98 117.51 123.55 2ctm h ILE 79 Ca 0.07 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2ctm h ILE 79 Cb 0.70 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2ctm h ILE 79 CO 0.05 0.09 0.35 -0.07 0.00 0.00 0.00 178.15 178.58 2ctm h LEU 80 N -0.80 0.52 -0.63 1.44 3.38 -0.90 -1.63 115.31 116.69 2ctm h LEU 80 Ca -0.05 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2ctm h LEU 80 Cb 0.53 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2ctm h LEU 80 CO 0.08 0.36 0.32 -1.13 0.09 0.00 0.00 178.44 178.16 2ctm h ASN 81 N 0.60 0.46 0.84 -0.43 -1.24 -1.25 -1.61 115.58 112.94 2ctm h ASN 81 Ca 0.22 0.04 -0.15 0.00 0.71 0.00 0.00 56.30 57.11 2ctm h ASN 81 Cb 0.11 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2ctm h ASN 81 CO -0.06 0.29 -0.72 -0.07 -1.29 0.00 0.00 177.43 175.58 2ctm h LEU 82 N 0.60 0.00 -0.56 0.34 3.38 -1.23 -3.13 115.31 114.70 2ctm h LEU 82 Ca 0.29 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.36 2ctm h LEU 82 Cb 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2ctm h LEU 82 CO -0.20 0.72 0.13 -0.08 0.09 0.00 0.00 178.44 179.09 2ctm h GLU 83 N 0.00 0.26 0.26 1.13 4.81 -0.38 -0.83 114.58 119.83 2ctm h GLU 83 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ctm h GLU 83 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2ctm h GLU 83 CO 0.09 0.17 -0.13 1.49 -0.73 0.00 0.00 179.01 179.91 2ctm h GLU 84 N 0.26 -0.34 -0.94 1.92 4.57 -1.55 -1.11 114.58 117.40 2ctm h GLU 84 Ca 0.29 0.02 0.28 0.00 -1.18 0.00 0.00 59.36 58.77 2ctm h GLU 84 Cb 0.41 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 28.92 2ctm h GLU 84 CO -0.37 0.01 0.20 1.49 -1.18 0.00 0.00 179.01 179.17 2ctm h GLU 85 N -0.89 0.10 0.08 1.92 4.57 -1.45 0.12 114.58 119.03 2ctm h GLU 85 Ca -0.04 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ctm h GLU 85 Cb 0.51 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2ctm h GLU 85 CO 0.06 0.06 -0.04 1.88 -1.18 0.00 0.00 179.01 179.79 2ctm h TYR 86 N 0.10 -0.10 -0.92 0.92 0.05 -1.18 -3.27 116.97 112.56 2ctm h TYR 86 Ca 0.62 -0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.64 2ctm h TYR 86 Cb 1.33 0.03 -0.14 0.00 1.01 0.00 0.00 36.73 38.97 2ctm h TYR 86 CO -0.31 0.45 0.39 -0.07 -1.05 0.00 0.00 178.16 177.56 2ctm h LEU 87 N -0.78 0.28 -1.64 3.88 3.38 0.27 0.21 115.31 120.91 2ctm h LEU 87 Ca -0.01 0.18 0.52 0.00 0.09 0.00 0.00 57.88 58.65 2ctm h LEU 87 Cb 0.59 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 2ctm h LEU 87 CO 0.02 -0.08 1.12 0.00 0.09 0.00 0.00 178.44 179.59 2ctm n ALA 88 N -2.51 1.60 -1.40 1.53 0.00 0.25 0.30 120.51 120.28 2ctm n ALA 88 Ca 0.24 0.78 -0.26 0.00 0.00 0.00 0.00 53.44 54.21 2ctm n ALA 88 Cb 0.75 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2ctm n ALA 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ctm n ASP 89 N -4.37 6.49 -0.23 0.00 -0.08 0.73 -4.64 116.55 114.45 2ctm n ASP 89 Ca 0.42 -3.19 0.00 0.00 -1.51 0.00 0.00 54.79 50.51 2ctm n ASP 89 Cb 1.76 -1.20 0.12 0.00 2.34 0.00 0.00 41.12 44.14 2ctm n ASP 89 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2ctm h SER 90 N 2.76 0.41 -4.39 1.67 4.64 -0.35 -3.42 113.55 114.86 2ctm h SER 90 Ca 0.38 0.06 -0.39 0.00 -0.47 0.00 0.00 61.79 61.37 2ctm h SER 90 Cb 0.75 -0.01 -0.24 0.00 -0.31 0.00 0.00 62.40 62.59 2ctm h SER 90 CO 0.87 0.24 -0.77 -0.83 -0.87 0.00 0.00 176.83 175.47 2ctm s GLY 91 N -3.13 0.66 0.01 -0.77 0.00 -1.26 -5.12 107.32 97.71 2ctm s GLY 91 Ca -0.13 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 2ctm s GLY 91 CO 0.76 -0.75 1.44 2.56 0.00 0.00 0.00 173.10 177.11 2ctm s PRO 92 N -1.17 4.27 -0.04 2.90 0.04 -1.26 -5.02 135.00 134.72 2ctm s PRO 92 Ca -0.01 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2ctm s PRO 92 Cb -0.08 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2ctm s PRO 92 CO 0.01 -0.61 -0.22 0.45 0.04 0.00 0.00 177.00 176.67 2ctm s SER 93 N 1.99 3.39 0.92 6.66 0.15 -1.26 -5.13 113.70 120.42 2ctm s SER 93 Ca 0.65 -0.38 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 2ctm s SER 93 Cb -0.33 -0.60 0.14 0.00 -1.71 0.00 0.00 66.02 63.53 2ctm s SER 93 CO 0.27 0.32 1.09 -0.94 1.20 0.00 0.00 173.24 175.18 2ctm s SER 94 N -0.57 3.32 0.00 5.45 1.04 -1.26 -5.28 113.70 116.41 2ctm s SER 94 Ca 0.08 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2ctm s SER 94 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2ctm s SER 94 CO 0.00 -2.72 0.00 0.61 0.98 0.00 0.00 173.24 172.11