#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctm s SER 2 N 0.00 -0.10 0.11 1.61 0.15 -1.26 -5.17 113.70 109.04 2ctm s SER 2 Ca 0.00 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.67 2ctm s SER 2 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2ctm s SER 2 CO 0.00 -0.40 -0.11 -0.55 1.20 0.00 0.00 173.24 173.39 2ctm s SER 3 N -1.29 1.62 0.03 5.45 0.15 -1.26 -5.16 113.70 113.24 2ctm s SER 3 Ca -0.13 -0.86 -0.28 0.00 0.70 0.00 0.00 55.95 55.38 2ctm s SER 3 Cb -0.06 -0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.34 2ctm s SER 3 CO 0.03 -0.26 0.83 -0.83 1.20 0.00 0.00 173.24 174.21 2ctm s GLY 4 N -2.63 -0.49 -0.18 9.45 0.00 -1.26 -5.09 107.32 107.12 2ctm s GLY 4 Ca 0.09 0.91 -0.15 0.00 0.00 0.00 0.00 44.72 45.57 2ctm s GLY 4 CO 0.01 0.30 -0.31 -1.26 0.00 0.00 0.00 173.10 171.83 2ctm n SER 5 N -0.27 1.82 -4.14 1.64 2.88 -1.26 -4.99 113.62 109.29 2ctm n SER 5 Ca -0.10 0.31 -0.34 0.00 -1.33 0.00 0.00 58.87 57.40 2ctm n SER 5 Cb 0.62 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.36 2ctm n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ctm n SER 6 N -4.28 -3.34 -3.00 -3.46 2.88 -1.26 -4.87 113.62 96.29 2ctm n SER 6 Ca -0.23 -0.97 -0.15 0.00 -1.33 0.00 0.00 58.87 56.20 2ctm n SER 6 Cb 0.57 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.03 2ctm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctm n GLY 7 N -1.51 2.71 3.93 0.46 0.00 -1.26 -5.12 105.19 104.39 2ctm n GLY 7 Ca 0.03 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.19 3.52 0.30 1.61 1.81 -1.26 -5.10 118.95 117.63 2ctm s ARG 8 Ca 0.34 -0.12 -0.20 0.00 -1.72 0.00 0.00 55.73 54.04 2ctm s ARG 8 Cb 0.37 -2.56 0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2ctm s ARG 8 CO -0.05 0.03 0.77 0.96 -0.68 0.00 0.00 175.30 176.33 2ctm s ILE 9 N -2.45 0.00 -0.16 1.52 -4.36 -1.26 -5.08 121.20 109.42 2ctm s ILE 9 Ca 0.43 -0.96 -0.18 0.00 -0.26 0.00 0.00 60.65 59.68 2ctm s ILE 9 Cb -0.10 -2.32 -0.23 0.00 1.25 0.00 0.00 42.46 41.06 2ctm s ILE 9 CO 0.39 0.00 0.40 0.58 0.24 0.00 0.00 174.94 176.55 2ctm h VAL 10 N 2.00 1.00 0.00 8.37 2.07 -1.98 -3.50 116.25 124.21 2ctm h VAL 10 Ca -0.24 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2ctm h VAL 10 Cb 1.25 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2ctm h VAL 10 CO 0.29 0.55 0.00 0.61 0.02 0.00 0.00 177.57 179.04 2ctm n GLY 11 N 1.63 -1.49 3.75 2.17 0.00 -1.26 -4.84 105.19 105.15 2ctm n GLY 11 Ca -0.28 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.34 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 3.01 0.03 1.61 0.41 -1.26 -5.05 118.70 117.46 2ctm s GLU 12 Ca 0.00 -0.47 -0.20 0.00 -0.41 0.00 0.00 54.97 53.89 2ctm s GLU 12 Cb 0.00 -2.82 -0.11 0.00 -1.78 0.00 0.00 34.13 29.42 2ctm s GLU 12 CO 0.00 0.66 1.30 -0.07 -0.49 0.00 0.00 175.26 176.66 2ctm h LEU 13 N 4.42 -0.64 -2.13 1.80 3.38 -1.96 -1.51 115.31 118.67 2ctm h LEU 13 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2ctm h LEU 13 Cb 1.19 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2ctm h LEU 13 CO 0.59 -0.42 0.25 -0.33 0.09 0.00 0.00 178.44 178.63 2ctm h GLU 14 N -0.68 0.00 0.00 1.13 5.08 -2.04 0.47 114.58 118.54 2ctm h GLU 14 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2ctm h GLU 14 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2ctm h GLU 14 CO 0.09 0.00 -0.49 1.96 -1.00 0.00 0.00 179.01 179.57 2ctm h GLN 15 N 0.00 0.00 -7.19 2.33 4.20 -1.81 -3.46 115.11 109.18 2ctm h GLN 15 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2ctm h GLN 15 Cb 0.51 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.46 2ctm h GLN 15 CO 0.00 0.40 0.37 -1.64 -0.67 0.00 0.00 178.83 177.30 2ctm s MET 16 N -3.00 1.82 -0.01 1.46 -1.94 0.17 -4.69 119.30 113.10 2ctm s MET 16 Ca 0.04 1.81 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2ctm s MET 16 Cb 0.07 -1.79 0.01 0.00 2.01 0.00 0.00 34.83 35.13 2ctm s MET 16 CO 0.74 -2.09 -0.01 0.14 -0.01 0.00 0.00 175.02 173.79 2ctm s VAL 17 N -2.02 0.16 0.03 -6.03 -7.23 0.37 -4.82 120.40 100.86 2ctm s VAL 17 Ca 0.75 -0.01 -0.16 0.00 -1.81 0.00 0.00 61.98 60.74 2ctm s VAL 17 Cb -0.30 -0.18 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 2ctm s VAL 17 CO 0.48 0.08 0.47 -0.44 -0.31 0.00 0.00 175.10 175.38 2ctm s SER 18 N 0.37 6.90 0.11 4.85 0.01 -1.26 -2.24 113.70 122.44 2ctm s SER 18 Ca -0.03 1.07 0.05 0.00 1.31 0.00 0.00 55.95 58.35 2ctm s SER 18 Cb -0.06 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2ctm s SER 18 CO -0.01 0.30 -0.12 -1.61 0.41 0.00 0.00 173.24 172.21 2ctm s GLU 19 N -1.11 0.94 -0.30 12.44 8.01 -0.28 -4.96 118.70 133.44 2ctm s GLU 19 Ca 0.26 -1.20 -0.12 0.00 0.01 0.00 0.00 54.97 53.92 2ctm s GLU 19 Cb -0.18 -0.74 -0.04 0.00 -4.31 0.00 0.00 34.13 28.86 2ctm s GLU 19 CO 0.16 0.13 0.24 0.16 0.01 0.00 0.00 175.26 175.96 2ctm s ASP 20 N -2.43 6.07 -0.20 -0.19 -4.77 -1.26 -1.48 116.67 112.40 2ctm s ASP 20 Ca 0.07 -0.09 -0.02 0.00 -3.30 0.00 0.00 52.55 49.21 2ctm s ASP 20 Cb -0.04 -2.14 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 2ctm s ASP 20 CO 0.02 -0.13 -0.10 -0.69 0.70 0.00 0.00 175.17 174.96 2ctm s VAL 21 N 1.81 2.88 -0.63 2.11 1.01 -0.36 -4.95 120.40 122.26 2ctm s VAL 21 Ca 0.08 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2ctm s VAL 21 Cb -0.16 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2ctm s VAL 21 CO 0.11 0.47 1.87 -2.16 0.00 0.00 0.00 175.10 175.39 2ctm s PRO 22 N 1.35 2.62 -0.26 2.72 0.04 -1.26 -1.37 135.00 138.84 2ctm s PRO 22 Ca 0.05 0.54 0.03 0.00 0.04 0.00 0.00 61.00 61.66 2ctm s PRO 22 Cb -0.14 -4.44 0.06 0.00 0.04 0.00 0.00 34.50 30.02 2ctm s PRO 22 CO -0.06 -2.79 -0.09 -1.17 0.04 0.00 0.00 177.00 172.93 2ctm s LEU 23 N 9.18 3.42 0.72 -3.56 2.96 0.11 -4.97 118.68 126.53 2ctm s LEU 23 Ca 0.68 -1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 2ctm s LEU 23 Cb -0.12 -1.50 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 2ctm s LEU 23 CO 0.19 -0.21 0.22 -0.67 -1.32 0.00 0.00 176.35 174.56 2ctm n ASP 24 N 4.45 -2.34 0.14 3.68 -0.08 -1.25 -4.10 116.55 117.05 2ctm n ASP 24 Ca -0.12 0.55 0.01 0.00 -1.51 0.00 0.00 54.79 53.71 2ctm n ASP 24 Cb 0.42 -1.08 0.08 0.00 2.34 0.00 0.00 41.12 42.88 2ctm n ASP 24 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2ctm h HIS 25 N -0.41 0.00 0.00 -0.67 2.07 -1.86 -2.84 115.15 111.44 2ctm h HIS 25 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2ctm h HIS 25 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 2ctm h HIS 25 CO 0.31 0.58 0.00 0.54 -3.07 0.00 0.00 177.93 176.29 2ctm n ARG 26 N -3.36 0.23 0.00 5.12 1.74 -1.26 -2.00 116.66 117.12 2ctm n ARG 26 Ca 0.01 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2ctm n ARG 26 Cb 0.71 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 2ctm n ARG 26 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2ctm n VAL 27 N -1.23 0.00 0.03 1.55 0.24 -1.16 -4.74 118.33 113.02 2ctm n VAL 27 Ca 0.07 -0.39 -0.03 0.00 -2.04 0.00 0.00 64.34 61.95 2ctm n VAL 27 Cb 0.09 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.26 -0.87 6.34 3.86 -1.16 -1.47 115.15 121.58 2ctm h HIS 28 Ca 0.00 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 2ctm h HIS 28 Cb 0.03 0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.53 2ctm h HIS 28 CO 0.00 -0.11 0.50 0.00 0.86 0.00 0.00 177.93 179.18 2ctm h ALA 29 N -1.46 1.28 -0.83 2.45 0.00 -1.89 0.13 119.26 118.96 2ctm h ALA 29 Ca -0.00 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.15 2ctm h ALA 29 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2ctm h ALA 29 CO -0.04 0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.85 2ctm h ARG 30 N 0.79 0.22 0.00 0.00 2.47 -1.77 -0.82 114.38 115.27 2ctm h ARG 30 Ca 0.44 -0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.95 2ctm h ARG 30 Cb 0.47 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 2ctm h ARG 30 CO -0.28 0.15 -1.15 -0.89 0.56 0.00 0.00 179.97 178.35 2ctm n ILE 31 N -4.42 1.51 -0.29 2.04 5.41 -0.01 -4.31 119.36 119.29 2ctm n ILE 31 Ca 0.17 0.01 0.10 0.00 1.00 0.00 0.00 62.75 64.03 2ctm n ILE 31 Cb 0.74 -2.10 0.23 0.00 -0.71 0.00 0.00 39.64 37.80 2ctm n ILE 31 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ctm h ILE 32 N -1.00 0.27 0.00 1.39 2.04 -0.51 -2.81 117.51 116.89 2ctm h ILE 32 Ca -0.29 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ctm h ILE 32 Cb 1.17 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2ctm h ILE 32 CO -0.18 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.61 2ctm n GLY 33 N -1.42 1.71 0.19 5.37 0.00 -0.34 -2.83 105.19 107.87 2ctm n GLY 33 Ca 0.18 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.40 -0.29 4.61 0.00 -1.92 -3.25 119.26 118.01 2ctm h ALA 34 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ctm h ALA 34 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ctm h ALA 34 CO 0.00 -0.68 0.00 2.89 0.00 0.00 0.00 179.25 181.46 2ctm n ARG 35 N -5.23 2.39 -0.79 0.00 -4.01 -1.26 -4.95 116.66 102.82 2ctm n ARG 35 Ca -0.10 -1.89 0.00 0.00 -1.04 0.00 0.00 57.85 54.82 2ctm n ARG 35 Cb 0.21 -1.27 0.00 0.00 -3.04 0.00 0.00 32.46 28.36 2ctm n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2ctm n GLY 36 N 0.59 1.30 0.11 2.89 0.00 -1.23 -5.02 105.19 103.83 2ctm n GLY 36 Ca 0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.82 0.54 -0.55 1.61 4.81 -1.18 -3.31 118.16 119.26 2ctm n LYS 37 Ca 0.00 0.42 0.44 0.00 -0.87 0.00 0.00 58.31 58.31 2ctm n LYS 37 Cb 0.19 -1.62 0.72 0.00 0.02 0.00 0.00 35.03 34.33 2ctm n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ctm n ALA 38 N -3.85 1.53 -0.02 3.14 0.00 -1.23 0.23 120.51 120.31 2ctm n ALA 38 Ca -0.31 0.77 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 2ctm n ALA 38 Cb 0.64 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 2ctm n ALA 38 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2ctm h ILE 39 N 0.00 0.87 -0.82 0.00 6.09 -1.33 -3.34 117.51 118.98 2ctm h ILE 39 Ca 0.88 -2.72 0.09 0.00 -1.37 0.00 0.00 64.86 61.74 2ctm h ILE 39 Cb 3.12 2.43 -0.06 0.00 0.47 0.00 0.00 36.82 42.79 2ctm h ILE 39 CO -0.29 0.51 0.53 -0.09 -3.07 0.00 0.00 178.15 175.74 2ctm h ARG 40 N 0.00 0.77 -0.24 2.19 9.65 0.29 -0.03 114.38 127.01 2ctm h ARG 40 Ca -0.28 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.38 2ctm h ARG 40 Cb 2.01 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 30.41 2ctm h ARG 40 CO 0.08 0.51 -0.57 1.57 2.80 0.00 0.00 179.97 184.36 2ctm h LYS 41 N 0.79 0.74 -0.32 0.20 2.10 -1.53 -2.82 116.57 115.73 2ctm h LYS 41 Ca 0.38 -0.48 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2ctm h LYS 41 Cb 0.41 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2ctm h LYS 41 CO -0.15 1.10 -0.01 0.82 -2.00 0.00 0.00 179.45 179.22 2ctm h ILE 42 N 0.56 1.26 0.43 0.07 2.04 -1.38 0.21 117.51 120.70 2ctm h ILE 42 Ca 0.01 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2ctm h ILE 42 Cb 1.15 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2ctm h ILE 42 CO 0.12 0.31 -0.34 0.24 0.00 0.00 0.00 178.15 178.48 2ctm h MET 43 N 0.37 -0.73 -0.20 2.37 2.86 -1.07 -2.43 114.93 116.09 2ctm h MET 43 Ca 0.09 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2ctm h MET 43 Cb 0.45 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2ctm h MET 43 CO 0.02 -0.49 -0.03 -0.44 1.06 0.00 0.00 176.91 177.02 2ctm h ASP 44 N -0.76 0.28 -0.59 1.22 3.32 -1.52 1.47 116.42 119.83 2ctm h ASP 44 Ca -0.04 -0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.08 2ctm h ASP 44 Cb 0.66 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.02 2ctm h ASP 44 CO -0.01 0.36 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.51 2ctm h GLU 45 N 0.29 -0.12 -0.11 3.56 4.81 -0.44 -2.60 114.58 119.98 2ctm h GLU 45 Ca 0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2ctm h GLU 45 Cb 0.26 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2ctm h GLU 45 CO 0.01 -0.08 0.00 1.19 -0.73 0.00 0.00 179.01 179.40 2ctm n PHE 46 N -5.44 0.14 -3.44 0.92 3.01 -1.13 -4.99 117.46 106.54 2ctm n PHE 46 Ca 0.05 -0.37 -0.20 0.00 1.01 0.00 0.00 57.45 57.94 2ctm n PHE 46 Cb 0.35 -0.03 0.07 0.00 -0.01 0.00 0.00 39.48 39.86 2ctm n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ctm n LYS 47 N 0.02 -6.85 -4.19 -1.08 4.01 0.46 -4.88 118.16 105.64 2ctm n LYS 47 Ca 0.04 0.72 -0.27 0.00 -0.51 0.00 0.00 58.31 58.30 2ctm n LYS 47 Cb 0.27 -5.45 -0.08 0.00 -0.51 0.00 0.00 35.03 29.27 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 -3.28 3.78 -0.43 -0.18 -7.23 0.11 -4.87 120.40 108.30 2ctm s VAL 48 Ca 0.47 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2ctm s VAL 48 Cb -0.21 -2.90 0.11 0.00 0.56 0.00 0.00 36.38 33.94 2ctm s VAL 48 CO 0.63 -0.10 0.25 -0.62 -0.31 0.00 0.00 175.10 174.95 2ctm s ASP 49 N -2.93 5.43 -0.28 4.85 2.15 -1.08 -4.34 116.67 120.48 2ctm s ASP 49 Ca 0.28 -1.91 -0.29 0.00 0.43 0.00 0.00 52.55 51.06 2ctm s ASP 49 Cb -0.09 -1.90 0.01 0.00 -0.30 0.00 0.00 42.92 40.64 2ctm s ASP 49 CO 0.19 -0.58 1.05 -0.63 -0.17 0.00 0.00 175.17 175.03 2ctm s ILE 50 N 1.25 4.59 -0.36 4.11 1.01 -1.26 -1.57 121.20 128.97 2ctm s ILE 50 Ca 0.06 1.84 -0.10 0.00 0.00 0.00 0.00 60.65 62.46 2ctm s ILE 50 Cb -0.24 -4.37 0.03 0.00 0.01 0.00 0.00 42.46 37.89 2ctm s ILE 50 CO -0.02 -0.35 0.18 -0.60 0.00 0.00 0.00 174.94 174.14 2ctm s ARG 51 N 3.45 2.84 0.49 2.79 3.00 -0.13 -4.96 118.95 126.43 2ctm s ARG 51 Ca 0.44 -1.06 -0.18 0.00 -1.00 0.00 0.00 55.73 53.94 2ctm s ARG 51 Cb -0.13 -3.65 -0.09 0.00 0.00 0.00 0.00 34.95 31.08 2ctm s ARG 51 CO 0.11 -0.66 0.97 -0.06 0.00 0.00 0.00 175.30 175.67 2ctm s PHE 52 N 1.53 3.41 0.00 5.12 0.08 -1.26 -0.59 117.98 126.27 2ctm s PHE 52 Ca 0.02 1.51 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 2ctm s PHE 52 Cb -0.19 -2.81 -0.06 0.00 -0.57 0.00 0.00 43.02 39.39 2ctm s PHE 52 CO 0.06 -0.28 1.45 -1.25 -0.10 0.00 0.00 175.22 175.09 2ctm s PRO 53 N -3.77 4.26 1.24 0.24 0.04 -1.25 -4.93 135.00 130.83 2ctm s PRO 53 Ca 0.60 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.45 2ctm s PRO 53 Cb -0.10 -3.60 0.32 0.00 0.04 0.00 0.00 34.50 31.16 2ctm s PRO 53 CO 0.25 -0.62 0.89 0.00 0.04 0.00 0.00 177.00 177.56 2ctm n GLN 54 N 5.54 -3.86 0.27 4.56 10.64 -1.26 -4.81 117.38 128.46 2ctm n GLN 54 Ca 0.14 -1.45 0.15 0.00 -1.83 0.00 0.00 57.00 54.01 2ctm n GLN 54 Cb 0.43 -1.62 0.76 0.00 -0.86 0.00 0.00 30.24 28.95 2ctm n GLN 54 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2ctm h SER 55 N -3.07 0.00 -0.10 2.61 0.02 -2.02 -2.64 113.55 108.35 2ctm h SER 55 Ca -0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2ctm h SER 55 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2ctm h SER 55 CO 0.23 0.08 -0.06 0.61 -1.14 0.00 0.00 176.83 176.55 2ctm n GLY 56 N -0.40 4.68 3.79 -3.77 0.00 -1.26 -5.05 105.19 103.18 2ctm n GLY 56 Ca -0.01 -1.14 -0.33 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 -2.93 2.66 0.22 4.61 0.00 -1.00 -4.95 121.76 120.38 2ctm s ALA 57 Ca 0.37 0.56 0.23 0.00 0.00 0.00 0.00 51.96 53.12 2ctm s ALA 57 Cb 0.32 -3.29 1.00 0.00 0.00 0.00 0.00 23.12 21.15 2ctm s ALA 57 CO 0.03 -0.88 1.87 -1.00 0.00 0.00 0.00 175.76 175.79 2ctm h PRO 58 N 0.62 0.00 -2.80 0.00 0.13 -1.96 -3.38 132.00 124.60 2ctm h PRO 58 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 2ctm h PRO 58 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2ctm h PRO 58 CO 0.56 0.23 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.27 2ctm s ASP 59 N -6.26 3.32 0.00 1.44 1.01 -1.26 -4.96 116.67 109.97 2ctm s ASP 59 Ca -0.01 -2.44 0.13 0.00 0.71 0.00 0.00 52.55 50.94 2ctm s ASP 59 Cb 0.11 -0.75 0.78 0.00 1.01 0.00 0.00 42.92 44.07 2ctm s ASP 59 CO 0.64 -0.28 1.21 -0.81 0.21 0.00 0.00 175.17 176.13 2ctm n PRO 60 N 3.75 0.49 0.00 8.23 -0.04 -1.26 -1.81 135.00 144.36 2ctm n PRO 60 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2ctm n PRO 60 Cb 0.36 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.92 1.55 -4.26 3.54 3.02 -1.26 -4.50 115.26 112.43 2ctm n ASN 61 Ca 0.10 -1.71 -0.26 0.00 -0.03 0.00 0.00 54.58 52.67 2ctm n ASN 61 Cb 0.05 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.07 2ctm n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctm s VAL 63 N -0.78 2.07 -0.49 0.00 -7.23 -0.47 -3.83 120.40 109.66 2ctm s VAL 63 Ca 0.08 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 2ctm s VAL 63 Cb -0.09 -1.82 0.12 0.00 0.56 0.00 0.00 36.38 35.15 2ctm s VAL 63 CO 0.02 0.14 0.40 -0.89 -0.31 0.00 0.00 175.10 174.45 2ctm s THR 64 N -0.99 4.62 -0.28 5.32 2.01 0.25 -1.22 115.64 125.34 2ctm s THR 64 Ca 0.11 -1.63 -0.20 0.00 0.31 0.00 0.00 61.69 60.28 2ctm s THR 64 Cb -0.10 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2ctm s THR 64 CO 0.04 -0.79 0.63 -0.69 -0.69 0.00 0.00 174.62 173.12 2ctm s VAL 65 N 1.46 4.96 0.30 3.82 1.01 -0.55 -0.95 120.40 130.45 2ctm s VAL 65 Ca 0.04 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 2ctm s VAL 65 Cb -0.27 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2ctm s VAL 65 CO 0.01 -0.06 0.52 -0.89 0.00 0.00 0.00 175.10 174.68 2ctm s THR 66 N 2.56 5.09 0.00 3.92 2.01 -0.61 -1.13 115.64 127.49 2ctm s THR 66 Ca 0.26 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2ctm s THR 66 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2ctm s THR 66 CO 0.10 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 2ctm n GLY 67 N -1.25 3.16 3.43 4.40 0.00 -0.95 -2.62 105.19 111.36 2ctm n GLY 67 Ca -0.04 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 2ctm n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ctm n LEU 68 N 0.00 0.24 0.19 0.99 7.99 -1.26 -0.48 117.00 124.67 2ctm n LEU 68 Ca 0.00 0.54 0.14 0.00 -0.01 0.00 0.00 56.01 56.68 2ctm n LEU 68 Cb 0.00 -1.18 0.57 0.00 -0.11 0.00 0.00 43.42 42.70 2ctm n LEU 68 CO 0.00 -3.37 0.91 1.55 -1.51 0.00 0.00 177.39 174.97 2ctm h PRO 69 N -0.57 0.00 0.00 3.23 0.13 -1.86 -0.22 132.00 132.71 2ctm h PRO 69 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 2ctm h PRO 69 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2ctm h PRO 69 CO 0.40 0.00 -1.28 1.05 -0.23 0.00 0.00 178.00 177.94 2ctm h GLU 70 N 0.00 0.00 0.05 0.86 4.11 -1.99 -3.29 114.58 114.31 2ctm h GLU 70 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 2ctm h GLU 70 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2ctm h GLU 70 CO 0.00 0.36 -1.74 0.09 0.07 0.00 0.00 179.01 177.79 2ctm n ASN 71 N -2.97 1.99 0.07 3.06 3.02 -1.02 -4.16 115.26 115.25 2ctm n ASN 71 Ca -0.08 0.30 -0.13 0.00 -0.03 0.00 0.00 54.58 54.64 2ctm n ASN 71 Cb 0.84 -0.88 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2ctm n ASN 71 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2ctm h VAL 72 N -0.49 0.25 -0.85 2.41 2.07 -1.23 -1.18 116.25 117.23 2ctm h VAL 72 Ca -0.42 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.29 2ctm h VAL 72 Cb 1.67 0.25 -0.16 0.00 -1.52 0.00 0.00 31.29 31.54 2ctm h VAL 72 CO -0.09 0.00 -0.11 1.05 0.02 0.00 0.00 177.57 178.44 2ctm h GLU 73 N -0.52 0.03 -0.41 1.57 4.11 -1.77 0.32 114.58 117.90 2ctm h GLU 73 Ca 0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2ctm h GLU 73 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2ctm h GLU 73 CO -0.27 0.02 0.19 0.93 0.07 0.00 0.00 179.01 179.96 2ctm h GLU 74 N 0.03 0.59 -0.42 1.06 4.39 -1.54 -2.88 114.58 115.81 2ctm h GLU 74 Ca 0.45 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 60.10 2ctm h GLU 74 Cb 0.76 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 2ctm h GLU 74 CO -0.83 0.52 0.17 0.00 -1.16 0.00 0.00 179.01 177.72 2ctm h ALA 75 N 1.04 0.51 0.05 3.43 0.00 0.71 -2.87 119.26 122.12 2ctm h ALA 75 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2ctm h ALA 75 Cb 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ctm h ALA 75 CO -0.02 -0.20 -0.43 0.82 0.00 0.00 0.00 179.25 179.42 2ctm h ILE 76 N 0.36 0.14 -1.08 0.00 2.04 -0.73 0.18 117.51 118.41 2ctm h ILE 76 Ca 0.19 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.37 2ctm h ILE 76 Cb 0.15 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.24 2ctm h ILE 76 CO -0.17 0.00 0.66 -0.78 0.00 0.00 0.00 178.15 177.86 2ctm h ASP 77 N -0.62 0.46 -0.21 1.72 3.58 -1.31 0.45 116.42 120.50 2ctm h ASP 77 Ca 0.03 0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.44 2ctm h ASP 77 Cb 0.67 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.81 2ctm h ASP 77 CO -0.29 -0.05 -0.61 -0.74 -2.88 0.00 0.00 179.24 174.66 2ctm h HIS 78 N 0.32 1.02 0.76 0.28 2.76 -0.95 -2.23 115.15 117.12 2ctm h HIS 78 Ca 0.70 -0.40 -0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2ctm h HIS 78 Cb 1.77 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 30.56 2ctm h HIS 78 CO -0.01 1.22 -0.37 0.82 -1.30 0.00 0.00 177.93 178.30 2ctm h ILE 79 N 0.52 0.20 -0.34 6.26 2.04 0.17 -2.74 117.51 123.62 2ctm h ILE 79 Ca -0.02 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2ctm h ILE 79 Cb 1.23 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2ctm h ILE 79 CO 0.13 0.01 0.23 -0.07 0.00 0.00 0.00 178.15 178.45 2ctm h LEU 80 N -1.11 0.20 -0.39 1.44 3.38 -1.16 -1.43 115.31 116.24 2ctm h LEU 80 Ca -0.10 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2ctm h LEU 80 Cb 0.80 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2ctm h LEU 80 CO 0.17 0.14 0.18 -1.13 0.09 0.00 0.00 178.44 177.89 2ctm h ASN 81 N 0.23 0.25 0.86 -0.43 -1.24 -1.15 -2.15 115.58 111.95 2ctm h ASN 81 Ca 0.15 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.04 2ctm h ASN 81 Cb 0.30 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2ctm h ASN 81 CO -0.03 0.18 -0.69 -0.07 -1.29 0.00 0.00 177.43 175.53 2ctm h LEU 82 N 0.37 0.00 -0.71 0.34 3.38 -1.09 -3.22 115.31 114.38 2ctm h LEU 82 Ca 0.17 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2ctm h LEU 82 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2ctm h LEU 82 CO -0.13 0.69 0.36 -0.08 0.09 0.00 0.00 178.44 179.37 2ctm h GLU 83 N 0.00 0.61 -0.15 1.13 4.81 -0.64 -1.12 114.58 119.22 2ctm h GLU 83 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2ctm h GLU 83 Cb 1.31 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2ctm h GLU 83 CO 0.09 0.40 -0.04 1.49 -0.73 0.00 0.00 179.01 180.22 2ctm h GLU 84 N 0.63 0.30 -0.32 1.92 4.57 -1.50 -2.00 114.58 118.18 2ctm h GLU 84 Ca 0.34 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.48 2ctm h GLU 84 Cb 0.33 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 2ctm h GLU 84 CO -0.25 0.58 -0.14 1.49 -1.18 0.00 0.00 179.01 179.51 2ctm h GLU 85 N -0.00 -0.08 0.33 1.92 4.57 -1.45 0.10 114.58 119.97 2ctm h GLU 85 Ca 0.04 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2ctm h GLU 85 Cb 0.47 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2ctm h GLU 85 CO 0.02 -0.05 -0.16 1.88 -1.18 0.00 0.00 179.01 179.51 2ctm h TYR 86 N -0.08 -0.41 -0.86 0.92 0.05 -1.22 -2.82 116.97 112.53 2ctm h TYR 86 Ca 0.16 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.08 2ctm h TYR 86 Cb 0.33 0.14 -0.10 0.00 1.01 0.00 0.00 36.73 38.11 2ctm h TYR 86 CO -0.35 -0.23 0.45 -0.07 -1.05 0.00 0.00 178.16 176.91 2ctm h LEU 87 N -0.48 0.54 -1.45 3.88 3.38 -0.97 0.98 115.31 121.19 2ctm h LEU 87 Ca -0.05 0.09 0.24 0.00 0.09 0.00 0.00 57.88 58.26 2ctm h LEU 87 Cb 0.37 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2ctm h LEU 87 CO 0.07 0.22 0.93 0.00 0.09 0.00 0.00 178.44 179.76 2ctm h ALA 88 N 1.57 2.68 -0.95 1.53 0.00 -0.54 -1.23 119.26 122.33 2ctm h ALA 88 Ca 0.47 -0.03 -0.75 0.00 0.00 0.00 0.00 54.91 54.60 2ctm h ALA 88 Cb 0.68 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.32 2ctm h ALA 88 CO -0.37 -1.36 1.47 -3.47 0.00 0.00 0.00 179.25 175.52 2ctm n ASP 89 N -3.45 7.55 -0.11 0.00 -0.08 0.34 -4.55 116.55 116.25 2ctm n ASP 89 Ca 0.18 -3.47 -0.25 0.00 -1.51 0.00 0.00 54.79 49.74 2ctm n ASP 89 Cb 1.20 -1.23 -0.11 0.00 2.34 0.00 0.00 41.12 43.32 2ctm n ASP 89 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2ctm n SER 90 N 0.60 1.94 0.00 1.67 2.88 -0.47 -5.05 113.62 115.19 2ctm n SER 90 Ca 0.53 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2ctm n SER 90 Cb 0.28 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2ctm n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctm n GLY 91 N 1.49 0.61 3.64 0.46 0.00 -1.26 -5.09 105.19 105.04 2ctm n GLY 91 Ca -0.43 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 0.57 4.00 -0.40 1.61 0.04 -1.26 -4.98 135.00 134.58 2ctm s PRO 92 Ca 0.00 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2ctm s PRO 92 Cb 0.00 -3.97 0.12 0.00 0.04 0.00 0.00 34.50 30.68 2ctm s PRO 92 CO 0.00 -1.05 0.16 0.45 0.04 0.00 0.00 177.00 176.60 2ctm s SER 93 N 3.55 4.12 -0.15 6.66 0.15 -1.26 -5.00 113.70 121.77 2ctm s SER 93 Ca 0.69 -2.32 -0.08 0.00 0.70 0.00 0.00 55.95 54.93 2ctm s SER 93 Cb -0.27 -1.23 0.06 0.00 -1.71 0.00 0.00 66.02 62.87 2ctm s SER 93 CO 0.27 -0.33 0.37 -0.44 1.20 0.00 0.00 173.24 174.32 2ctm s SER 94 N 0.70 -0.46 0.00 5.45 0.01 -1.26 -5.21 113.70 112.93 2ctm s SER 94 Ca 0.14 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2ctm s SER 94 Cb -0.22 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2ctm s SER 94 CO -0.08 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.99