#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 5.99 -0.29 1.61 0.15 -1.26 -5.03 113.70 114.87 2ctm s SER 2 Ca 0.00 0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.68 2ctm s SER 2 Cb 0.00 -1.84 -0.06 0.00 -1.71 0.00 0.00 66.02 62.41 2ctm s SER 2 CO 0.00 0.36 2.26 -1.20 1.20 0.00 0.00 173.24 175.86 2ctm n SER 3 N 1.73 2.92 0.00 5.45 7.64 -1.26 -4.67 113.62 125.43 2ctm n SER 3 Ca -0.17 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2ctm n SER 3 Cb 0.54 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2ctm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctm n GLY 4 N 5.93 0.04 3.30 0.23 0.00 -1.26 -4.83 105.19 108.61 2ctm n GLY 4 Ca 0.33 -0.96 -0.51 0.00 0.00 0.00 0.00 46.02 44.89 2ctm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctm n SER 5 N -1.22 -0.68 -0.13 1.61 7.64 -1.26 -4.90 113.62 114.68 2ctm n SER 5 Ca 0.00 1.10 -0.27 0.00 1.01 0.00 0.00 58.87 60.71 2ctm n SER 5 Cb 0.00 -0.90 -0.09 0.00 -1.01 0.00 0.00 64.21 62.21 2ctm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ctm n SER 6 N 1.71 1.84 -4.94 6.43 7.64 -1.26 -4.96 113.62 120.08 2ctm n SER 6 Ca 0.18 0.27 -0.23 0.00 1.01 0.00 0.00 58.87 60.10 2ctm n SER 6 Cb 0.17 -0.72 0.01 0.00 -1.01 0.00 0.00 64.21 62.66 2ctm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctm s GLY 7 N -5.55 2.15 0.81 0.23 0.00 -1.26 -5.10 107.32 98.60 2ctm s GLY 7 Ca -0.36 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 42.64 2ctm s GLY 7 CO 0.46 -1.83 1.10 0.50 0.00 0.00 0.00 173.10 173.33 2ctm s ARG 8 N -4.37 1.99 0.33 2.90 1.81 -1.26 -5.08 118.95 115.26 2ctm s ARG 8 Ca 0.44 0.67 -0.13 0.00 -1.72 0.00 0.00 55.73 54.99 2ctm s ARG 8 Cb -0.03 -1.90 0.02 0.00 -0.45 0.00 0.00 34.95 32.59 2ctm s ARG 8 CO 0.27 -1.69 0.64 0.96 -0.68 0.00 0.00 175.30 174.80 2ctm s ILE 9 N -3.12 0.00 -0.21 1.52 -5.25 -1.26 -5.07 121.20 107.81 2ctm s ILE 9 Ca 0.61 -1.22 0.10 0.00 -0.99 0.00 0.00 60.65 59.14 2ctm s ILE 9 Cb -0.15 -2.52 -0.19 0.00 2.95 0.00 0.00 42.46 42.55 2ctm s ILE 9 CO 0.55 0.00 -0.06 0.52 -1.79 0.00 0.00 174.94 174.15 2ctm n VAL 10 N -0.50 1.29 -0.75 8.37 0.31 -1.26 -5.08 118.33 120.72 2ctm n VAL 10 Ca -0.04 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2ctm n VAL 10 Cb 0.60 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 2.11 -2.13 3.85 2.92 0.00 -1.26 -4.79 105.19 105.89 2ctm n GLY 11 Ca -0.35 -1.93 -0.32 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 -0.17 3.22 0.11 1.61 0.41 -1.26 -5.03 118.70 117.59 2ctm s GLU 12 Ca 0.00 -0.47 -0.33 0.00 -0.41 0.00 0.00 54.97 53.75 2ctm s GLU 12 Cb 0.00 -2.94 -0.13 0.00 -1.78 0.00 0.00 34.13 29.28 2ctm s GLU 12 CO 0.00 0.63 1.57 -0.07 -0.49 0.00 0.00 175.26 176.90 2ctm h LEU 13 N 3.59 -1.48 -1.24 1.80 3.38 -1.96 -1.38 115.31 118.01 2ctm h LEU 13 Ca -0.47 0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.72 2ctm h LEU 13 Cb 1.17 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 2ctm h LEU 13 CO 0.68 -0.53 0.54 -0.33 0.09 0.00 0.00 178.44 178.89 2ctm h GLU 14 N -0.71 0.90 -0.27 1.13 4.39 -2.03 -0.61 114.58 117.37 2ctm h GLU 14 Ca 0.01 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.73 2ctm h GLU 14 Cb 0.73 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2ctm h GLU 14 CO -0.29 0.59 0.20 1.96 -1.16 0.00 0.00 179.01 180.32 2ctm h GLN 15 N 0.92 0.00 -7.11 2.33 1.08 -1.69 -3.43 115.11 107.22 2ctm h GLN 15 Ca 0.35 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 57.00 2ctm h GLN 15 Cb 0.20 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 27.80 2ctm h GLN 15 CO -0.12 0.00 0.42 -1.33 -0.95 0.00 0.00 178.83 176.85 2ctm n MET 16 N -4.44 0.81 -4.68 1.46 2.81 -0.24 -4.68 117.12 108.16 2ctm n MET 16 Ca 0.04 0.34 -0.25 0.00 -1.81 0.00 0.00 57.70 56.02 2ctm n MET 16 Cb 0.36 -2.48 -0.16 0.00 -0.71 0.00 0.00 33.22 30.23 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 -1.62 1.23 -0.05 2.03 -7.23 0.53 -4.78 120.40 110.50 2ctm s VAL 17 Ca 0.79 -0.59 -0.25 0.00 -1.81 0.00 0.00 61.98 60.13 2ctm s VAL 17 Cb -0.35 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2ctm s VAL 17 CO 0.44 0.36 0.76 -0.94 -0.31 0.00 0.00 175.10 175.41 2ctm s SER 18 N 0.23 7.07 0.22 4.85 1.04 -1.26 -3.03 113.70 122.81 2ctm s SER 18 Ca -0.07 1.29 0.07 0.00 0.48 0.00 0.00 55.95 57.72 2ctm s SER 18 Cb -0.12 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2ctm s SER 18 CO 0.02 -0.14 -0.11 -1.61 0.98 0.00 0.00 173.24 172.38 2ctm s GLU 19 N 0.83 1.37 -0.22 4.02 2.02 -0.07 -4.97 118.70 121.67 2ctm s GLU 19 Ca 0.40 -1.63 -0.03 0.00 0.02 0.00 0.00 54.97 53.74 2ctm s GLU 19 Cb -0.18 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 32.99 2ctm s GLU 19 CO 0.20 0.13 -0.07 0.16 0.02 0.00 0.00 175.26 175.70 2ctm s ASP 20 N -3.34 4.14 -0.21 -0.19 1.47 -1.26 -1.39 116.67 115.89 2ctm s ASP 20 Ca 0.24 -0.58 -0.04 0.00 1.18 0.00 0.00 52.55 53.34 2ctm s ASP 20 Cb 0.01 -1.68 -0.02 0.00 -0.34 0.00 0.00 42.92 40.89 2ctm s ASP 20 CO 0.08 -0.05 -0.02 -0.69 0.68 0.00 0.00 175.17 175.16 2ctm s VAL 21 N 1.40 3.66 -0.57 2.11 1.01 -0.67 -4.95 120.40 122.39 2ctm s VAL 21 Ca 0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 2ctm s VAL 21 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2ctm s VAL 21 CO -0.05 0.42 1.84 -2.16 0.00 0.00 0.00 175.10 175.15 2ctm s PRO 22 N 1.26 2.75 -0.09 2.72 0.04 -1.26 -1.86 135.00 138.55 2ctm s PRO 22 Ca 0.03 0.73 0.04 0.00 0.04 0.00 0.00 61.00 61.84 2ctm s PRO 22 Cb -0.14 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2ctm s PRO 22 CO -0.00 -2.58 -0.23 -1.17 0.04 0.00 0.00 177.00 173.05 2ctm s LEU 23 N 8.69 2.05 0.36 -3.56 2.96 0.72 -4.94 118.68 124.95 2ctm s LEU 23 Ca 0.69 -0.53 -0.27 0.00 -0.22 0.00 0.00 54.13 53.79 2ctm s LEU 23 Cb -0.14 -1.36 -0.09 0.00 0.50 0.00 0.00 46.19 45.10 2ctm s LEU 23 CO 0.23 0.15 1.22 -0.62 -1.32 0.00 0.00 176.35 176.01 2ctm s ASP 24 N 0.34 6.69 0.24 3.68 -1.08 -1.26 -3.94 116.67 121.34 2ctm s ASP 24 Ca -0.18 2.49 0.21 0.00 -0.52 0.00 0.00 52.55 54.55 2ctm s ASP 24 Cb -0.18 -2.63 0.94 0.00 -1.46 0.00 0.00 42.92 39.60 2ctm s ASP 24 CO 0.08 -0.57 1.64 1.57 0.52 0.00 0.00 175.17 178.42 2ctm n HIS 25 N 0.50 0.67 0.54 -5.34 -0.00 -1.26 -1.61 115.22 108.72 2ctm n HIS 25 Ca 0.02 0.29 0.13 0.00 -0.00 0.00 0.00 57.72 58.16 2ctm n HIS 25 Cb 0.44 -0.96 0.40 0.00 -0.00 0.00 0.00 29.99 29.86 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 -0.04 1.57 3.08 -1.95 -3.17 114.38 113.88 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2ctm h ARG 26 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 2ctm n VAL 27 N -2.38 0.75 0.00 2.04 0.24 -0.64 -4.71 118.33 113.65 2ctm n VAL 27 Ca 0.05 -0.88 -0.00 0.00 -2.04 0.00 0.00 64.34 61.47 2ctm n VAL 27 Cb 0.41 0.63 -0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 0.30 -0.01 -0.32 6.34 3.86 -1.46 -2.72 115.15 121.15 2ctm h HIS 28 Ca 0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2ctm h HIS 28 Cb 0.42 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 2ctm h HIS 28 CO 0.03 -0.00 -0.06 0.00 0.86 0.00 0.00 177.93 178.76 2ctm h ALA 29 N -2.00 0.24 -1.11 2.45 0.00 -1.87 0.10 119.26 117.08 2ctm h ALA 29 Ca -0.00 0.12 0.34 0.00 0.00 0.00 0.00 54.91 55.37 2ctm h ALA 29 Cb 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 2ctm h ALA 29 CO 0.00 -0.45 0.68 0.00 0.00 0.00 0.00 179.25 179.48 2ctm h ARG 30 N 0.03 0.26 0.09 0.00 -0.00 -1.84 0.23 114.38 113.14 2ctm h ARG 30 Ca 0.16 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.98 59.42 2ctm h ARG 30 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.14 2ctm h ARG 30 CO -0.31 0.17 -0.97 0.82 0.00 0.00 0.00 179.97 179.68 2ctm h ILE 31 N 0.27 1.29 -0.95 2.04 2.04 -0.87 -3.34 117.51 117.98 2ctm h ILE 31 Ca 0.73 -2.40 0.17 0.00 1.00 0.00 0.00 64.86 64.36 2ctm h ILE 31 Cb 1.91 2.91 -0.08 0.00 -0.74 0.00 0.00 36.82 40.81 2ctm h ILE 31 CO -0.48 0.64 0.60 0.40 0.00 0.00 0.00 178.15 179.31 2ctm h ILE 32 N -0.54 0.77 0.00 -0.67 2.04 0.11 -3.05 117.51 116.17 2ctm h ILE 32 Ca -0.21 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2ctm h ILE 32 Cb 1.53 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2ctm h ILE 32 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2ctm n GLY 33 N -1.40 -0.80 0.06 5.37 0.00 0.60 -3.22 105.19 105.80 2ctm n GLY 33 Ca 0.20 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.51 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 1.23 0.38 -1.14 4.61 0.00 -1.26 -4.56 120.51 119.77 2ctm n ALA 34 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2ctm n ALA 34 Cb 0.00 0.01 0.26 0.00 0.00 0.00 0.00 19.45 19.72 2ctm n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ctm n ARG 35 N -4.10 2.84 -2.06 0.00 1.74 -1.26 -4.91 116.66 108.91 2ctm n ARG 35 Ca -0.06 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 2ctm n ARG 35 Cb 0.23 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 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 -0.59 0.54 0.10 -0.13 0.00 -1.22 -4.99 105.19 98.90 2ctm n GLY 36 Ca 0.31 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.88 0.53 -0.36 1.61 3.00 -1.20 -2.98 118.16 117.89 2ctm n LYS 37 Ca 0.00 0.56 0.34 0.00 -0.00 0.00 0.00 58.31 59.22 2ctm n LYS 37 Cb 0.49 -1.73 0.70 0.00 0.00 0.00 0.00 35.03 34.49 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 -0.64 2.98 0.00 3.14 0.00 -1.75 1.13 119.26 124.13 2ctm h ALA 38 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ctm h ALA 38 Cb 1.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ctm h ALA 38 CO -0.16 -1.37 -1.04 1.51 0.00 0.00 0.00 179.25 178.19 2ctm n ILE 39 N -4.28 0.48 -0.10 0.00 0.13 -1.15 -3.94 119.36 110.50 2ctm n ILE 39 Ca 0.28 -0.47 -0.14 0.00 -1.10 0.00 0.00 62.75 61.32 2ctm n ILE 39 Cb 1.25 -0.21 -0.04 0.00 -0.84 0.00 0.00 39.64 39.79 2ctm n ILE 39 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 2ctm h ARG 40 N 0.00 0.87 -0.30 9.51 9.65 0.14 -2.42 114.38 131.83 2ctm h ARG 40 Ca 0.00 -0.50 -0.10 0.00 -1.10 0.00 0.00 59.98 58.28 2ctm h ARG 40 Cb 0.93 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.54 2ctm h ARG 40 CO 0.00 1.14 -0.22 1.57 2.80 0.00 0.00 179.97 185.27 2ctm h LYS 41 N 0.66 0.57 -0.40 0.20 2.10 -1.51 -2.50 116.57 115.68 2ctm h LYS 41 Ca 0.04 -0.21 -0.10 0.00 -2.00 0.00 0.00 60.65 58.37 2ctm h LYS 41 Cb 1.04 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2ctm h LYS 41 CO 0.10 0.75 -0.15 0.82 -2.00 0.00 0.00 179.45 178.97 2ctm h ILE 42 N 0.51 1.28 0.47 0.07 2.04 -1.66 -1.29 117.51 118.92 2ctm h ILE 42 Ca 0.08 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2ctm h ILE 42 Cb 0.66 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2ctm h ILE 42 CO 0.05 0.43 -0.23 0.24 0.00 0.00 0.00 178.15 178.64 2ctm h MET 43 N 0.63 -0.61 -0.41 2.37 2.86 -1.30 -2.78 114.93 115.68 2ctm h MET 43 Ca 0.10 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2ctm h MET 43 Cb 0.70 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 2ctm h MET 43 CO 0.05 -0.37 0.27 -0.44 1.06 0.00 0.00 176.91 177.48 2ctm h ASP 44 N -0.70 0.48 -0.09 1.22 3.32 -1.49 1.39 116.42 120.55 2ctm h ASP 44 Ca -0.06 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.01 2ctm h ASP 44 Cb 0.52 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2ctm h ASP 44 CO 0.11 0.35 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.56 2ctm h GLU 45 N 0.56 -0.43 -0.32 3.56 4.81 -0.95 -2.49 114.58 119.33 2ctm h GLU 45 Ca 0.15 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2ctm h GLU 45 Cb -0.06 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2ctm h GLU 45 CO -0.03 -0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.15 2ctm n PHE 46 N -5.42 0.40 -3.64 0.92 3.01 -1.07 -4.96 117.46 106.70 2ctm n PHE 46 Ca -0.04 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 57.97 2ctm n PHE 46 Cb 0.33 -0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.34 -6.87 -4.18 -1.08 4.76 0.45 -4.78 118.16 107.81 2ctm n LYS 47 Ca 0.17 0.76 -0.27 0.00 -2.87 0.00 0.00 58.31 56.10 2ctm n LYS 47 Cb 0.57 -5.73 -0.05 0.00 -1.84 0.00 0.00 35.03 27.98 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 -3.36 1.78 -0.37 -0.18 -7.23 0.35 -4.84 120.40 106.55 2ctm s VAL 48 Ca 0.41 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2ctm s VAL 48 Cb -0.19 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.39 2ctm s VAL 48 CO 0.76 0.00 0.12 -1.81 -0.31 0.00 0.00 175.10 173.86 2ctm s ASP 49 N -4.05 4.25 -0.08 4.85 1.11 -0.41 -4.56 116.67 117.78 2ctm s ASP 49 Ca 0.30 -2.14 -0.29 0.00 0.18 0.00 0.00 52.55 50.59 2ctm s ASP 49 Cb 0.01 -1.25 -0.02 0.00 1.07 0.00 0.00 42.92 42.74 2ctm s ASP 49 CO 0.17 -0.36 0.99 -0.63 1.18 0.00 0.00 175.17 176.53 2ctm s ILE 50 N 0.94 4.81 -0.35 0.77 1.01 -1.26 -0.57 121.20 126.54 2ctm s ILE 50 Ca 0.12 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.82 2ctm s ILE 50 Cb -0.20 -4.31 0.10 0.00 0.01 0.00 0.00 42.46 38.06 2ctm s ILE 50 CO -0.12 0.04 0.08 -0.60 0.00 0.00 0.00 174.94 174.34 2ctm s ARG 51 N 1.78 1.75 0.54 2.79 6.06 0.23 -4.97 118.95 127.13 2ctm s ARG 51 Ca 0.49 -1.78 -0.19 0.00 -2.50 0.00 0.00 55.73 51.75 2ctm s ARG 51 Cb -0.19 -3.29 -0.06 0.00 0.06 0.00 0.00 34.95 31.47 2ctm s ARG 51 CO 0.20 -0.93 1.12 -0.06 -2.50 0.00 0.00 175.30 173.13 2ctm s PHE 52 N 1.01 2.71 0.04 5.12 0.08 -1.26 -0.83 117.98 124.85 2ctm s PHE 52 Ca 0.07 1.55 -0.31 0.00 0.12 0.00 0.00 56.93 58.37 2ctm s PHE 52 Cb -0.20 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.93 2ctm s PHE 52 CO -0.06 -1.49 1.41 -1.25 -0.10 0.00 0.00 175.22 173.73 2ctm s PRO 53 N -3.32 4.29 0.88 0.24 0.04 -1.25 -4.90 135.00 130.99 2ctm s PRO 53 Ca 0.72 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 2ctm s PRO 53 Cb -0.23 -3.47 0.12 0.00 0.04 0.00 0.00 34.50 30.97 2ctm s PRO 53 CO 0.27 -0.53 1.11 1.14 0.04 0.00 0.00 177.00 179.03 2ctm s GLN 54 N 1.97 1.39 0.19 4.56 -2.07 -1.26 -4.84 119.66 119.60 2ctm s GLN 54 Ca 0.65 0.48 -0.17 0.00 -1.82 0.00 0.00 55.36 54.49 2ctm s GLN 54 Cb -0.34 -1.85 0.17 0.00 -1.09 0.00 0.00 33.01 29.90 2ctm s GLN 54 CO 0.28 -2.07 1.62 0.77 -1.32 0.00 0.00 175.29 174.58 2ctm h SER 55 N -1.41 -0.73 -0.14 12.60 0.02 -2.01 0.50 113.55 122.38 2ctm h SER 55 Ca -0.50 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2ctm h SER 55 Cb 1.31 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 2ctm h SER 55 CO 0.60 -0.24 0.02 0.61 -1.14 0.00 0.00 176.83 176.68 2ctm n GLY 56 N -1.42 1.92 3.79 -3.77 0.00 -1.26 -4.90 105.19 99.54 2ctm n GLY 56 Ca 0.05 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.32 2.98 0.25 4.61 0.00 0.17 -4.95 121.76 123.50 2ctm s ALA 57 Ca 0.12 0.69 0.20 0.00 0.00 0.00 0.00 51.96 52.98 2ctm s ALA 57 Cb 0.09 -3.28 0.88 0.00 0.00 0.00 0.00 23.12 20.81 2ctm s ALA 57 CO 0.03 -0.31 1.83 -1.00 0.00 0.00 0.00 175.76 176.31 2ctm h PRO 58 N 2.05 0.00 -2.82 0.00 0.13 -1.91 -3.38 132.00 126.07 2ctm h PRO 58 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 2ctm h PRO 58 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 2ctm h PRO 58 CO 0.61 0.30 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.39 2ctm s ASP 59 N -6.43 3.36 0.00 1.44 1.01 -1.26 -4.96 116.67 109.83 2ctm s ASP 59 Ca -0.01 -2.46 0.16 0.00 0.71 0.00 0.00 52.55 50.95 2ctm s ASP 59 Cb 0.12 -0.78 0.91 0.00 1.01 0.00 0.00 42.92 44.18 2ctm s ASP 59 CO 0.67 -0.28 1.35 -0.81 0.21 0.00 0.00 175.17 176.30 2ctm n PRO 60 N 3.73 0.46 -0.03 8.23 -0.04 -1.26 -1.84 135.00 144.26 2ctm n PRO 60 Ca 0.10 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2ctm n PRO 60 Cb 0.36 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.03 2.13 -4.13 3.54 0.23 -1.26 -4.40 115.26 110.34 2ctm n ASN 61 Ca 0.11 -2.10 -0.23 0.00 -0.53 0.00 0.00 54.58 51.84 2ctm n ASN 61 Cb 0.06 -0.06 -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 -0.40 1.91 -0.39 0.00 -7.23 -0.78 -3.74 120.40 109.78 2ctm s VAL 63 Ca 0.06 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.05 2ctm s VAL 63 Cb -0.06 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2ctm s VAL 63 CO -0.00 0.53 0.63 -0.89 -0.31 0.00 0.00 175.10 175.06 2ctm s THR 64 N 0.01 4.88 -0.16 5.32 2.01 -0.01 -1.67 115.64 126.01 2ctm s THR 64 Ca -0.07 0.39 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 2ctm s THR 64 Cb -0.14 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2ctm s THR 64 CO 0.05 -0.41 0.04 -0.69 -0.69 0.00 0.00 174.62 172.91 2ctm s VAL 65 N 2.72 4.58 0.21 3.82 1.01 -0.48 0.74 120.40 133.00 2ctm s VAL 65 Ca 0.23 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2ctm s VAL 65 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2ctm s VAL 65 CO 0.16 0.49 0.16 -0.89 0.00 0.00 0.00 175.10 175.03 2ctm s THR 66 N 0.16 4.44 0.00 3.92 2.01 0.26 -0.89 115.64 125.54 2ctm s THR 66 Ca 0.03 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.76 2ctm s THR 66 Cb -0.13 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2ctm s THR 66 CO 0.01 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2ctm n GLY 67 N -0.79 3.21 3.34 4.40 0.00 -1.17 -1.29 105.19 112.89 2ctm n GLY 67 Ca -0.08 -1.86 -0.37 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 -1.34 0.27 0.99 7.99 -1.26 -0.35 117.00 123.30 2ctm n LEU 68 Ca 0.00 0.55 0.17 0.00 -0.01 0.00 0.00 56.01 56.73 2ctm n LEU 68 Cb 0.00 -1.05 0.69 0.00 -0.11 0.00 0.00 43.42 42.95 2ctm n LEU 68 CO 0.00 -3.97 0.99 1.55 -1.51 0.00 0.00 177.39 174.45 2ctm h PRO 69 N -0.34 0.00 0.01 3.23 0.13 -1.87 0.45 132.00 133.60 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 1.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 2ctm h PRO 69 CO 0.40 0.00 -1.54 1.05 -0.23 0.00 0.00 178.00 177.68 2ctm h GLU 70 N 0.00 0.02 0.15 0.86 4.11 -2.00 -3.25 114.58 114.47 2ctm h GLU 70 Ca 0.00 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 59.08 2ctm h GLU 70 Cb 0.47 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ctm h GLU 70 CO 0.00 0.66 -1.64 -0.91 0.07 0.00 0.00 179.01 177.19 2ctm h ASN 71 N 0.01 0.48 0.28 3.06 2.35 -1.83 -3.34 115.58 116.58 2ctm h ASN 71 Ca -0.22 -0.90 -0.00 0.00 -0.55 0.00 0.00 56.30 54.63 2ctm h ASN 71 Cb 1.96 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 2ctm h ASN 71 CO 0.09 1.73 -0.23 0.58 -1.65 0.00 0.00 177.43 177.95 2ctm h VAL 72 N -0.09 0.52 -0.81 2.81 2.07 -1.08 -1.91 116.25 117.75 2ctm h VAL 72 Ca -0.34 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.37 2ctm h VAL 72 Cb 1.94 0.52 -0.14 0.00 -1.52 0.00 0.00 31.29 32.08 2ctm h VAL 72 CO 0.11 0.00 0.01 1.05 0.02 0.00 0.00 177.57 178.75 2ctm h GLU 73 N -0.52 0.08 -0.60 1.57 4.11 -1.74 0.29 114.58 117.78 2ctm h GLU 73 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2ctm h GLU 73 Cb 0.46 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2ctm h GLU 73 CO -0.02 0.06 0.30 0.93 0.07 0.00 0.00 179.01 180.35 2ctm h GLU 74 N 0.09 0.86 -0.52 1.06 4.39 -1.60 -2.81 114.58 116.04 2ctm h GLU 74 Ca 0.45 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 60.08 2ctm h GLU 74 Cb 0.82 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2ctm h GLU 74 CO -0.73 0.69 0.26 0.00 -1.16 0.00 0.00 179.01 178.07 2ctm h ALA 75 N 1.13 0.67 0.31 3.43 0.00 0.30 -2.77 119.26 122.33 2ctm h ALA 75 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ctm h ALA 75 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2ctm h ALA 75 CO -0.03 -0.08 -0.48 0.82 0.00 0.00 0.00 179.25 179.48 2ctm h ILE 76 N 0.51 0.07 -1.14 0.00 2.04 -0.92 -0.25 117.51 117.81 2ctm h ILE 76 Ca 0.23 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.42 2ctm h ILE 76 Cb 0.15 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.19 2ctm h ILE 76 CO -0.16 0.00 0.74 -0.78 0.00 0.00 0.00 178.15 177.94 2ctm h ASP 77 N -0.84 0.36 0.54 1.72 1.82 -1.34 0.94 116.42 119.62 2ctm h ASP 77 Ca -0.02 0.10 -0.17 0.00 -0.39 0.00 0.00 57.03 56.55 2ctm h ASP 77 Cb 0.78 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 2ctm h ASP 77 CO -0.16 -0.02 -0.75 -0.74 -1.61 0.00 0.00 179.24 175.96 2ctm h HIS 78 N 0.27 0.23 0.43 0.28 2.76 -0.97 -2.82 115.15 115.33 2ctm h HIS 78 Ca 0.68 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.72 2ctm h HIS 78 Cb 1.92 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.85 2ctm h HIS 78 CO -0.00 0.85 -0.21 0.82 -1.30 0.00 0.00 177.93 178.09 2ctm h ILE 79 N 0.11 0.39 -0.56 6.26 2.04 0.26 -3.05 117.51 122.94 2ctm h ILE 79 Ca -0.02 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.38 2ctm h ILE 79 Cb 1.32 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2ctm h ILE 79 CO 0.11 0.07 0.38 -0.07 0.00 0.00 0.00 178.15 178.65 2ctm h LEU 80 N -0.98 0.28 -0.45 1.44 3.38 -1.33 -1.44 115.31 116.21 2ctm h LEU 80 Ca -0.06 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2ctm h LEU 80 Cb 0.56 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2ctm h LEU 80 CO 0.10 0.16 0.24 -1.13 0.09 0.00 0.00 178.44 177.90 2ctm h ASN 81 N 0.31 0.36 0.56 -0.43 -1.24 -1.45 -1.93 115.58 111.76 2ctm h ASN 81 Ca 0.26 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.18 2ctm h ASN 81 Cb 0.63 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 2ctm h ASN 81 CO -0.06 0.26 -0.54 -0.07 -1.29 0.00 0.00 177.43 175.72 2ctm h LEU 82 N 0.48 0.00 0.38 0.34 3.38 -1.18 -3.10 115.31 115.61 2ctm h LEU 82 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ctm h LEU 82 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ctm h LEU 82 CO -0.12 0.54 -0.38 -0.08 0.09 0.00 0.00 178.44 178.49 2ctm h GLU 83 N 0.00 -0.76 0.66 1.13 4.81 -0.73 -1.33 114.58 118.36 2ctm h GLU 83 Ca -0.01 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2ctm h GLU 83 Cb 0.97 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2ctm h GLU 83 CO 0.07 -0.51 -0.44 0.93 -0.73 0.00 0.00 179.01 178.33 2ctm h GLU 84 N -0.79 -1.01 -1.00 1.92 5.08 -1.52 0.52 114.58 117.79 2ctm h GLU 84 Ca -0.03 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 2ctm h GLU 84 Cb 0.71 0.23 -0.17 0.00 0.50 0.00 0.00 28.75 30.02 2ctm h GLU 84 CO -0.07 -0.67 -0.35 1.49 -1.00 0.00 0.00 179.01 178.41 2ctm h GLU 85 N -1.04 -0.00 0.44 2.33 4.57 -1.52 0.11 114.58 119.46 2ctm h GLU 85 Ca -0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2ctm h GLU 85 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2ctm h GLU 85 CO 0.07 -0.00 -0.21 1.88 -1.18 0.00 0.00 179.01 179.57 2ctm h TYR 86 N -0.00 -0.55 -0.77 0.92 0.05 -1.07 -3.04 116.97 112.50 2ctm h TYR 86 Ca 0.38 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 59.32 2ctm h TYR 86 Cb 0.63 0.18 -0.14 0.00 1.01 0.00 0.00 36.73 38.41 2ctm h TYR 86 CO -0.85 -0.29 -0.09 -0.07 -1.05 0.00 0.00 178.16 175.82 2ctm h LEU 87 N -0.69 -0.53 -1.35 3.88 3.38 0.12 0.26 115.31 120.38 2ctm h LEU 87 Ca -0.06 0.22 0.44 0.00 0.09 0.00 0.00 57.88 58.57 2ctm h LEU 87 Cb 0.51 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 2ctm h LEU 87 CO 0.10 -0.23 0.91 0.00 0.09 0.00 0.00 178.44 179.31 2ctm n ALA 88 N -3.10 1.32 -2.97 1.53 0.00 0.17 -0.76 120.51 116.70 2ctm n ALA 88 Ca 0.13 0.70 -0.39 0.00 0.00 0.00 0.00 53.44 53.87 2ctm n ALA 88 Cb 0.45 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -4.20 6.17 -3.70 0.00 2.03 0.91 -4.91 116.55 112.85 2ctm n ASP 89 Ca 0.36 -3.51 -0.30 0.00 0.52 0.00 0.00 54.79 51.87 2ctm n ASP 89 Cb 1.48 -1.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.62 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ctm s SER 90 N -1.90 3.74 0.05 1.67 1.04 0.06 -5.04 113.70 113.32 2ctm s SER 90 Ca 0.35 -2.21 0.05 0.00 0.48 0.00 0.00 55.95 54.62 2ctm s SER 90 Cb 0.11 -0.92 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 2ctm s SER 90 CO 0.02 -0.33 -0.09 -0.83 0.98 0.00 0.00 173.24 172.99 2ctm s GLY 91 N 0.90 1.75 -0.69 7.32 0.00 -1.26 -5.06 107.32 110.27 2ctm s GLY 91 Ca 0.15 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 2ctm s GLY 91 CO -0.09 -1.06 1.89 2.56 0.00 0.00 0.00 173.10 176.40 2ctm s PRO 92 N -1.77 2.60 0.91 2.90 0.04 -1.26 -4.97 135.00 133.45 2ctm s PRO 92 Ca 0.19 0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 2ctm s PRO 92 Cb -0.11 -4.58 0.14 0.00 0.04 0.00 0.00 34.50 29.99 2ctm s PRO 92 CO 0.10 -2.92 1.14 -1.13 0.04 0.00 0.00 177.00 174.24 2ctm n SER 93 N 13.12 0.36 -0.07 6.66 3.41 -1.26 -4.92 113.62 130.93 2ctm n SER 93 Ca 0.26 0.43 -0.07 0.00 -0.26 0.00 0.00 58.87 59.23 2ctm n SER 93 Cb 0.51 -1.48 -0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2ctm n SER 93 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ctm h SER 94 N -1.82 -0.08 0.00 4.04 0.87 -2.09 -3.57 113.55 110.91 2ctm h SER 94 Ca -0.43 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2ctm h SER 94 Cb 1.27 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2ctm h SER 94 CO 0.41 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.32