#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n s SER 2 N 0.00 -0.68 -0.18 1.61 0.15 -1.26 -5.17 113.70 108.17 1x4n s SER 2 Ca 0.00 0.98 -0.27 0.00 0.70 0.00 0.00 55.95 57.36 1x4n s SER 2 Cb 0.00 0.88 0.07 0.00 -1.71 0.00 0.00 66.02 65.26 1x4n s SER 2 CO 0.00 -0.46 0.69 -0.44 1.20 0.00 0.00 173.24 174.23 1x4n s SER 3 N -0.59 -0.70 0.00 5.45 0.01 -1.26 -5.18 113.70 111.43 1x4n s SER 3 Ca -0.06 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1x4n s SER 3 Cb -0.02 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.30 1x4n s SER 3 CO 0.06 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1x4n n GLY 4 N 2.00 4.16 3.64 3.44 0.00 -1.26 -5.18 105.19 111.98 1x4n n GLY 4 Ca -0.16 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1x4n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n s SER 5 N -0.04 -0.59 0.13 1.61 0.01 -1.26 -5.17 113.70 108.38 1x4n s SER 5 Ca 0.00 1.11 0.09 0.00 1.31 0.00 0.00 55.95 58.46 1x4n s SER 5 Cb 0.00 1.14 -0.04 0.00 0.21 0.00 0.00 66.02 67.34 1x4n s SER 5 CO 0.00 -0.19 -0.23 -0.55 0.41 0.00 0.00 173.24 172.68 1x4n s SER 6 N 0.47 2.89 0.30 2.44 0.15 -1.26 -5.15 113.70 113.54 1x4n s SER 6 Ca 0.00 -0.75 0.03 0.00 0.70 0.00 0.00 55.95 55.93 1x4n s SER 6 Cb -0.05 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1x4n s SER 6 CO -0.06 0.09 0.10 0.61 1.20 0.00 0.00 173.24 175.18 1x4n n GLY 7 N 0.84 3.49 2.19 9.45 0.00 -1.26 -5.08 105.19 114.82 1x4n n GLY 7 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1x4n n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x4n n HIS 8 N -0.68 -4.25 -1.60 1.61 -0.00 -1.26 -5.13 115.22 103.92 1x4n n HIS 8 Ca -0.05 1.29 -0.41 0.00 -0.00 0.00 0.00 57.72 58.55 1x4n n HIS 8 Cb 0.44 3.28 0.01 0.00 -0.00 0.00 0.00 29.99 33.73 1x4n n HIS 8 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1x4n n GLN 9 N -3.26 1.24 -3.51 1.57 1.13 -1.26 -5.00 117.38 108.29 1x4n n GLN 9 Ca 0.00 0.45 -0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1x4n n GLN 9 Cb 0.00 -2.00 -0.05 0.00 0.11 0.00 0.00 30.24 28.30 1x4n n GLN 9 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1x4n s GLN 10 N -2.02 0.38 0.39 -1.09 0.74 -1.26 -5.18 119.66 111.62 1x4n s GLN 10 Ca 0.64 0.85 0.05 0.00 0.05 0.00 0.00 55.36 56.94 1x4n s GLN 10 Cb -0.55 0.40 -0.06 0.00 1.10 0.00 0.00 33.01 33.90 1x4n s GLN 10 CO 0.56 -0.11 0.04 -0.65 -0.55 0.00 0.00 175.29 174.58 1x4n s GLN 11 N 2.19 1.88 -0.09 1.67 -0.21 -1.26 -5.08 119.66 118.75 1x4n s GLN 11 Ca -0.05 -2.09 -0.06 0.00 0.02 0.00 0.00 55.36 53.18 1x4n s GLN 11 Cb -0.06 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 1x4n s GLN 11 CO -0.17 -0.19 -0.15 0.54 -2.12 0.00 0.00 175.29 173.20 1x4n n ARG 12 N -0.90 0.23 -0.89 2.91 1.74 -1.26 -5.04 116.66 113.46 1x4n n ARG 12 Ca -0.06 0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 1x4n n ARG 12 Cb 0.67 -0.90 0.15 0.00 -1.02 0.00 0.00 32.46 31.36 1x4n n ARG 12 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x4n s SER 13 N -6.01 3.17 0.09 0.55 0.01 -1.26 -5.05 113.70 105.21 1x4n s SER 13 Ca -0.15 1.94 0.09 0.00 1.31 0.00 0.00 55.95 59.14 1x4n s SER 13 Cb 0.05 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1x4n s SER 13 CO 0.19 -2.90 -0.23 -0.69 0.41 0.00 0.00 173.24 170.03 1x4n s VAL 14 N -2.73 1.87 0.32 3.43 1.01 -1.26 -4.79 120.40 118.25 1x4n s VAL 14 Ca 0.65 -1.50 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1x4n s VAL 14 Cb -0.21 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1x4n s VAL 14 CO 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 175.10 175.73 1x4n s MET 15 N -1.71 2.05 -0.02 2.72 0.23 -0.95 -4.89 119.30 116.74 1x4n s MET 15 Ca 0.09 -1.70 0.07 0.00 -1.03 0.00 0.00 55.69 53.12 1x4n s MET 15 Cb -0.10 -1.94 -0.02 0.00 -1.53 0.00 0.00 34.83 31.25 1x4n s MET 15 CO 0.04 0.20 -0.22 0.99 -2.03 0.00 0.00 175.02 174.01 1x4n s THR 16 N -2.49 1.72 0.04 3.16 2.01 -1.26 -1.65 115.64 117.17 1x4n s THR 16 Ca 0.33 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1x4n s THR 16 Cb -0.02 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1x4n s THR 16 CO 0.19 0.49 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.76 1x4n s GLU 17 N -0.49 0.92 -0.46 4.92 2.56 -1.01 -4.97 118.70 120.17 1x4n s GLU 17 Ca 0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 54.97 54.15 1x4n s GLU 17 Cb -0.09 -0.93 0.10 0.00 2.00 0.00 0.00 34.13 35.21 1x4n s GLU 17 CO -0.01 0.23 0.34 -2.00 -0.56 0.00 0.00 175.26 173.26 1x4n s GLU 18 N -1.25 2.60 -0.20 4.30 2.12 -1.26 -1.48 118.70 123.53 1x4n s GLU 18 Ca 0.01 -1.63 -0.05 0.00 0.36 0.00 0.00 54.97 53.66 1x4n s GLU 18 Cb -0.08 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 1x4n s GLU 18 CO 0.01 -1.12 -0.00 -0.47 -0.54 0.00 0.00 175.26 173.14 1x4n s TYR 19 N 1.42 3.03 -0.13 5.30 5.04 -0.85 -4.96 117.35 126.20 1x4n s TYR 19 Ca 0.04 -0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 54.05 1x4n s TYR 19 Cb -0.25 -2.09 -0.05 0.00 0.35 0.00 0.00 41.96 39.92 1x4n s TYR 19 CO 0.01 -0.29 0.21 0.15 -1.34 0.00 0.00 175.55 174.29 1x4n s LYS 20 N 1.09 3.83 0.20 4.97 1.02 -1.26 -0.89 119.74 128.69 1x4n s LYS 20 Ca 0.02 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.05 1x4n s LYS 20 Cb -0.14 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 1x4n s LYS 20 CO 0.01 0.56 -0.11 0.14 -0.92 0.00 0.00 175.35 175.04 1x4n s VAL 21 N -0.46 1.48 -0.23 3.17 -7.23 -0.42 -4.89 120.40 111.82 1x4n s VAL 21 Ca 0.15 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 1x4n s VAL 21 Cb -0.13 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1x4n s VAL 21 CO 0.04 -0.58 1.31 -2.16 -0.31 0.00 0.00 175.10 173.40 1x4n s PRO 22 N -3.71 4.06 0.52 4.82 0.04 -1.26 0.19 135.00 139.65 1x4n s PRO 22 Ca 0.22 1.48 0.29 0.00 0.04 0.00 0.00 61.00 63.03 1x4n s PRO 22 Cb 0.01 -3.84 1.41 0.00 0.04 0.00 0.00 34.50 32.13 1x4n s PRO 22 CO 0.06 -0.93 1.90 0.22 0.04 0.00 0.00 177.00 178.28 1x4n h ASP 23 N 8.87 0.06 0.35 6.66 3.58 -1.87 1.66 116.42 135.74 1x4n h ASP 23 Ca -0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1x4n h ASP 23 Cb 1.10 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1x4n h ASP 23 CO 1.00 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 1x4n n GLY 24 N -1.67 -0.85 0.00 -0.78 0.00 -1.26 -3.15 105.19 97.47 1x4n n GLY 24 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1x4n n GLY 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4n n MET 25 N -1.49 0.85 -0.28 1.61 2.81 0.50 -4.74 117.12 116.38 1x4n n MET 25 Ca 0.03 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1x4n n MET 25 Cb 0.12 -0.96 0.10 0.00 -0.71 0.00 0.00 33.22 31.78 1x4n n MET 25 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1x4n h VAL 26 N 0.00 0.21 -0.98 2.03 3.04 0.55 1.78 116.25 122.87 1x4n h VAL 26 Ca 0.00 -0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.97 1x4n h VAL 26 Cb 0.91 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 1x4n h VAL 26 CO 0.00 0.00 0.71 1.23 -1.01 0.00 0.00 177.57 178.50 1x4n h GLY 27 N 0.00 0.00 0.57 3.17 0.00 -1.80 0.69 103.07 105.71 1x4n h GLY 27 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1x4n h GLY 27 CO -0.81 0.00 -1.51 0.33 0.00 0.00 0.00 176.54 174.55 1x4n n PHE 28 N -4.23 0.56 -0.17 5.60 7.35 0.56 -4.15 117.46 122.98 1x4n n PHE 28 Ca 0.21 0.17 -0.09 0.00 -0.76 0.00 0.00 57.45 56.98 1x4n n PHE 28 Cb 1.05 -0.82 0.01 0.00 0.35 0.00 0.00 39.48 40.07 1x4n n PHE 28 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1x4n h ILE 29 N 0.00 1.24 0.13 -2.13 2.04 0.52 -3.21 117.51 116.10 1x4n h ILE 29 Ca -0.06 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1x4n h ILE 29 Cb 1.16 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1x4n h ILE 29 CO 0.01 0.30 -0.17 0.40 0.00 0.00 0.00 178.15 178.69 1x4n h ILE 30 N 0.68 0.00 0.00 -0.67 5.03 -1.45 -2.74 117.51 118.37 1x4n h ILE 30 Ca 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.90 1x4n h ILE 30 Cb 0.33 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.12 1x4n h ILE 30 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 1x4n n GLY 31 N -1.18 0.91 3.53 5.37 0.00 -1.21 -1.04 105.19 111.57 1x4n n GLY 31 Ca -0.04 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 1x4n n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 32 N 1.24 1.35 -0.93 1.61 3.00 -1.26 0.74 116.66 122.41 1x4n n ARG 32 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 1x4n n ARG 32 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 32.46 29.54 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x4n n GLY 33 N 6.14 0.59 1.55 -0.13 0.00 -1.26 -2.87 105.19 109.20 1x4n n GLY 33 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1x4n n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 34 N -2.01 0.83 0.11 -0.02 0.00 0.23 -4.97 105.19 99.36 1x4n n GLY 34 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1x4n n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x4n h GLU 35 N 0.00 0.00 -0.32 1.61 4.11 -1.44 -2.72 114.58 115.82 1x4n h GLU 35 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1x4n h GLU 35 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1x4n h GLU 35 CO 0.00 0.33 -0.35 0.37 0.07 0.00 0.00 179.01 179.42 1x4n h GLN 36 N 0.00 0.72 0.18 1.06 5.75 -1.45 -2.68 115.11 118.69 1x4n h GLN 36 Ca -0.11 -0.35 -0.31 0.00 -0.15 0.00 0.00 58.65 57.73 1x4n h GLN 36 Cb 1.50 -0.00 0.02 0.00 1.07 0.00 0.00 27.48 30.06 1x4n h GLN 36 CO 0.05 0.96 -1.39 0.97 -2.65 0.00 0.00 178.83 176.77 1x4n h ILE 37 N 0.60 1.35 -0.35 2.39 6.09 -0.76 -3.30 117.51 123.55 1x4n h ILE 37 Ca 0.06 -2.88 0.08 0.00 -1.37 0.00 0.00 64.86 60.75 1x4n h ILE 37 Cb 0.88 2.96 -0.08 0.00 0.47 0.00 0.00 36.82 41.05 1x4n h ILE 37 CO 0.08 0.85 -0.24 -1.28 -3.07 0.00 0.00 178.15 174.49 1x4n h SER 38 N 0.10 -0.81 -0.77 2.19 0.87 -1.40 0.57 113.55 114.31 1x4n h SER 38 Ca -0.20 0.16 0.16 0.00 -1.23 0.00 0.00 61.79 60.68 1x4n h SER 38 Cb 2.06 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 64.37 1x4n h SER 38 CO 0.23 -0.27 0.52 0.03 -0.53 0.00 0.00 176.83 176.80 1x4n h ARG 39 N -0.20 0.36 -0.09 2.24 3.08 -1.58 0.83 114.38 119.02 1x4n h ARG 39 Ca 0.17 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 1x4n h ARG 39 Cb 0.47 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1x4n h ARG 39 CO -0.46 0.24 -0.86 0.82 -1.07 0.00 0.00 179.97 178.64 1x4n h ILE 40 N 0.37 1.30 -0.09 2.04 2.04 -0.47 0.93 117.51 123.64 1x4n h ILE 40 Ca 0.38 -2.12 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 1x4n h ILE 40 Cb 0.94 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1x4n h ILE 40 CO -0.12 0.66 -0.50 1.56 0.00 0.00 0.00 178.15 179.75 1x4n h GLN 41 N 0.44 0.23 0.02 2.37 4.20 0.30 -2.02 115.11 120.65 1x4n h GLN 41 Ca -0.07 -0.13 -0.28 0.00 0.06 0.00 0.00 58.65 58.23 1x4n h GLN 41 Cb 1.49 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.24 1x4n h GLN 41 CO 0.17 0.68 -1.54 1.96 -0.67 0.00 0.00 178.83 179.42 1x4n h GLN 42 N 0.18 0.05 0.36 1.46 4.20 0.56 0.12 115.11 122.04 1x4n h GLN 42 Ca 0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1x4n h GLN 42 Cb 0.94 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1x4n h GLN 42 CO 0.08 0.74 -0.17 0.93 -0.67 0.00 0.00 178.83 179.73 1x4n h GLU 43 N 0.01 -0.46 0.00 1.46 4.39 1.00 -3.10 114.58 117.88 1x4n h GLU 43 Ca -0.23 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1x4n h GLU 43 Cb 1.96 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1x4n h GLU 43 CO 0.10 -0.23 -0.80 0.66 -1.16 0.00 0.00 179.01 177.58 1x4n h SER 44 N -0.60 0.00 -0.47 1.42 4.64 -1.53 -3.48 113.55 113.53 1x4n h SER 44 Ca -0.05 -0.18 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 1x4n h SER 44 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1x4n h SER 44 CO 0.08 0.09 -0.18 0.61 -0.87 0.00 0.00 176.83 176.56 1x4n n GLY 45 N 1.29 1.12 3.88 -0.77 0.00 0.33 -4.69 105.19 106.35 1x4n n GLY 45 Ca 0.02 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1x4n n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4n s LYS 47 N -3.62 3.91 -0.23 0.00 2.20 -0.58 -4.37 119.74 117.05 1x4n s LYS 47 Ca 0.33 0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 56.30 1x4n s LYS 47 Cb -0.09 -2.97 0.07 0.00 -1.51 0.00 0.00 37.83 33.33 1x4n s LYS 47 CO 0.26 0.51 0.06 0.42 -0.36 0.00 0.00 175.35 176.25 1x4n s ILE 48 N -1.42 0.46 -0.41 5.43 1.01 -1.26 -2.16 121.20 122.84 1x4n s ILE 48 Ca 0.36 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1x4n s ILE 48 Cb -0.15 -1.11 0.05 0.00 0.01 0.00 0.00 42.46 41.27 1x4n s ILE 48 CO 0.19 -0.37 0.26 -1.10 0.00 0.00 0.00 174.94 173.92 1x4n s GLN 49 N 1.87 2.79 -0.12 2.79 -0.21 0.50 -4.96 119.66 122.31 1x4n s GLN 49 Ca 0.03 -1.25 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1x4n s GLN 49 Cb -0.17 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 1x4n s GLN 49 CO -0.15 -0.84 0.04 0.42 -2.12 0.00 0.00 175.29 172.63 1x4n s ILE 50 N 1.54 4.58 0.68 1.08 1.01 -1.26 -0.35 121.20 128.49 1x4n s ILE 50 Ca 0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 1x4n s ILE 50 Cb -0.21 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1x4n s ILE 50 CO 0.05 0.56 1.15 0.00 0.00 0.00 0.00 174.94 176.70 1x4n s ALA 51 N -0.45 2.34 0.06 9.38 0.00 -1.24 -4.96 121.76 126.88 1x4n s ALA 51 Ca 0.09 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 1x4n s ALA 51 Cb -0.12 -3.38 -0.21 0.00 0.00 0.00 0.00 23.12 19.41 1x4n s ALA 51 CO 0.02 -1.49 1.19 -1.00 0.00 0.00 0.00 175.76 174.48 1x4n h PRO 52 N -0.06 0.62 -5.29 0.00 0.13 -1.98 -3.44 132.00 121.98 1x4n h PRO 52 Ca -0.47 -0.60 -0.65 0.00 -0.87 0.00 0.00 66.00 63.40 1x4n h PRO 52 Cb 1.27 0.16 -0.33 0.00 0.13 0.00 0.00 31.00 32.22 1x4n h PRO 52 CO 0.52 1.21 -0.87 -0.51 -0.23 0.00 0.00 178.00 178.13 1x4n s ASP 53 N -7.02 2.86 0.12 1.44 1.01 -1.26 -5.01 116.67 108.82 1x4n s ASP 53 Ca -0.11 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 52.60 1x4n s ASP 53 Cb 0.06 -1.24 -0.12 0.00 1.01 0.00 0.00 42.92 42.63 1x4n s ASP 53 CO 0.88 0.15 1.28 0.77 0.21 0.00 0.00 175.17 178.46 1x4n h SER 54 N 6.67 0.49 0.00 0.27 4.64 -1.96 -3.49 113.55 120.18 1x4n h SER 54 Ca -0.22 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1x4n h SER 54 Cb 1.22 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1x4n h SER 54 CO 0.47 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 178.27 1x4n n GLY 55 N 1.04 1.76 0.82 -0.77 0.00 -1.26 -4.11 105.19 102.67 1x4n n GLY 55 Ca -0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1x4n n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 56 N 0.00 0.21 3.94 -0.02 0.00 -1.26 -5.14 105.19 102.92 1x4n n GLY 56 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1x4n n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4n s LEU 57 N 0.00 4.30 0.21 0.99 2.01 -1.26 -5.01 118.68 119.93 1x4n s LEU 57 Ca 0.00 0.25 0.08 0.00 0.01 0.00 0.00 54.13 54.47 1x4n s LEU 57 Cb 0.00 -3.00 0.14 0.00 0.01 0.00 0.00 46.19 43.34 1x4n s LEU 57 CO 0.00 0.02 1.48 1.55 1.01 0.00 0.00 176.35 180.42 1x4n h PRO 58 N 2.11 0.04 -6.39 1.29 0.13 -1.96 -3.44 132.00 123.77 1x4n h PRO 58 Ca -0.48 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 1x4n h PRO 58 Cb 1.19 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 1x4n h PRO 58 CO 0.69 0.78 -0.88 -1.21 -0.23 0.00 0.00 178.00 177.15 1x4n s GLU 59 N -3.31 1.93 -0.08 0.86 8.01 -1.26 -2.96 118.70 121.89 1x4n s GLU 59 Ca -0.01 -0.87 -0.22 0.00 0.01 0.00 0.00 54.97 53.88 1x4n s GLU 59 Cb 0.12 -1.88 -0.04 0.00 -4.31 0.00 0.00 34.13 28.02 1x4n s GLU 59 CO 0.79 0.51 0.66 0.50 0.01 0.00 0.00 175.26 177.73 1x4n s ARG 60 N -0.60 4.42 -0.04 1.61 6.06 0.49 -4.75 118.95 126.14 1x4n s ARG 60 Ca 0.09 0.80 -0.30 0.00 -2.50 0.00 0.00 55.73 53.83 1x4n s ARG 60 Cb -0.09 -3.45 -0.03 0.00 0.06 0.00 0.00 34.95 31.44 1x4n s ARG 60 CO -0.01 0.08 1.05 0.45 -2.50 0.00 0.00 175.30 174.37 1x4n s SER 61 N 0.77 7.24 -0.19 -2.12 0.15 -1.26 -1.30 113.70 116.99 1x4n s SER 61 Ca 0.35 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.69 1x4n s SER 61 Cb -0.17 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1x4n s SER 61 CO 0.17 -0.41 -0.10 0.00 1.20 0.00 0.00 173.24 174.10 1x4n s MET 63 N 1.45 3.84 0.19 0.00 -1.94 0.53 -2.00 119.30 121.36 1x4n s MET 63 Ca -0.00 0.34 -0.04 0.00 -1.71 0.00 0.00 55.69 54.28 1x4n s MET 63 Cb -0.16 -3.76 -0.05 0.00 2.01 0.00 0.00 34.83 32.87 1x4n s MET 63 CO -0.08 -0.71 0.41 -0.51 -0.01 0.00 0.00 175.02 174.12 1x4n s LEU 64 N 2.86 4.22 -0.08 -0.03 1.02 -0.55 -0.37 118.68 125.75 1x4n s LEU 64 Ca 0.29 0.57 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 1x4n s LEU 64 Cb -0.14 -3.32 0.04 0.00 0.02 0.00 0.00 46.19 42.79 1x4n s LEU 64 CO 0.14 -0.02 0.16 -0.89 0.02 0.00 0.00 176.35 175.76 1x4n s THR 65 N -1.79 -0.18 -5.00 5.49 2.01 -0.92 -2.40 115.64 112.84 1x4n s THR 65 Ca 0.41 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1x4n s THR 65 Cb -0.12 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1x4n s THR 65 CO 0.27 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1x4n n GLY 66 N 4.86 0.28 3.53 4.40 0.00 -0.66 -1.52 105.19 116.07 1x4n n GLY 66 Ca -0.14 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1x4n n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4n n THR 67 N 9.00 0.00 0.07 2.61 -2.24 -1.26 -2.24 114.28 120.22 1x4n n THR 67 Ca 0.00 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1x4n n THR 67 Cb 0.00 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1x4n n THR 67 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x4n h PRO 68 N -1.85 0.30 0.00 -0.78 0.13 -1.95 -2.15 132.00 125.69 1x4n h PRO 68 Ca -0.45 -0.29 -0.05 0.00 -0.87 0.00 0.00 66.00 64.33 1x4n h PRO 68 Cb 1.29 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1x4n h PRO 68 CO 0.39 0.98 -0.25 0.93 -0.23 0.00 0.00 178.00 179.81 1x4n h GLU 69 N 0.18 0.00 0.21 0.86 5.08 -2.00 -2.65 114.58 116.26 1x4n h GLU 69 Ca -0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1x4n h GLU 69 Cb 1.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.71 1x4n h GLU 69 CO 0.14 0.25 -1.46 0.77 -1.00 0.00 0.00 179.01 177.71 1x4n h SER 70 N 0.00 0.69 -0.22 1.42 0.02 -1.81 -2.83 113.55 110.83 1x4n h SER 70 Ca -0.00 -0.78 -0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1x4n h SER 70 Cb 0.87 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1x4n h SER 70 CO 0.03 1.61 0.13 0.58 -1.14 0.00 0.00 176.83 178.04 1x4n h VAL 71 N 0.12 1.10 0.79 2.27 2.07 -1.29 -0.41 116.25 120.90 1x4n h VAL 71 Ca -0.24 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1x4n h VAL 71 Cb 2.11 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1x4n h VAL 71 CO 0.24 0.10 -0.44 -0.61 0.02 0.00 0.00 177.57 176.88 1x4n h GLN 72 N 0.26 -1.09 -0.64 1.57 4.15 -1.57 0.18 115.11 117.96 1x4n h GLN 72 Ca 0.08 0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.68 1x4n h GLN 72 Cb 0.04 0.25 -0.12 0.00 0.21 0.00 0.00 27.48 27.86 1x4n h GLN 72 CO -0.01 -0.73 -0.37 0.77 -1.93 0.00 0.00 178.83 176.56 1x4n h SER 73 N -1.13 -1.28 -0.08 -0.69 0.02 -1.45 0.12 113.55 109.05 1x4n h SER 73 Ca -0.11 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1x4n h SER 73 Cb 0.89 0.62 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 1x4n h SER 73 CO 0.14 -0.31 -0.26 0.00 -1.14 0.00 0.00 176.83 175.26 1x4n h ALA 74 N 0.95 -0.29 -0.71 3.77 0.00 -0.94 -1.54 119.26 120.50 1x4n h ALA 74 Ca 0.23 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1x4n h ALA 74 Cb 0.56 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1x4n h ALA 74 CO -0.72 -0.74 -0.35 0.87 0.00 0.00 0.00 179.25 178.31 1x4n h LYS 75 N -0.35 -0.11 -0.81 0.00 1.57 0.18 0.74 116.57 117.79 1x4n h LYS 75 Ca 0.09 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1x4n h LYS 75 Cb 0.48 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 1x4n h LYS 75 CO -0.28 -0.07 0.33 0.00 -0.57 0.00 0.00 179.45 178.85 1x4n h ARG 76 N -0.11 0.42 -0.69 3.15 2.47 -0.02 0.95 114.38 120.54 1x4n h ARG 76 Ca 0.27 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 1x4n h ARG 76 Cb 0.56 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1x4n h ARG 76 CO -0.77 0.28 0.25 -0.07 0.56 0.00 0.00 179.97 180.22 1x4n h LEU 77 N 0.43 0.96 0.19 3.04 3.38 0.12 -0.50 115.31 122.93 1x4n h LEU 77 Ca 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1x4n h LEU 77 Cb 0.76 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x4n h LEU 77 CO -0.45 0.87 -0.09 -0.07 0.09 0.00 0.00 178.44 178.79 1x4n h LEU 78 N 1.01 -0.22 -1.57 1.67 3.38 0.31 -2.91 115.31 116.98 1x4n h LEU 78 Ca 0.23 0.01 0.47 0.00 0.09 0.00 0.00 57.88 58.68 1x4n h LEU 78 Cb 0.23 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 1x4n h LEU 78 CO -0.02 -0.06 0.99 -0.78 0.09 0.00 0.00 178.44 178.66 1x4n h ASP 79 N -0.44 0.17 0.74 -0.43 1.82 0.66 0.49 116.42 119.43 1x4n h ASP 79 Ca -0.03 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1x4n h ASP 79 Cb 0.20 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1x4n h ASP 79 CO 0.04 -0.15 -0.47 1.56 -1.61 0.00 0.00 179.24 178.62 1x4n h GLN 80 N 0.05 -1.10 -0.98 0.28 1.08 -1.02 -1.16 115.11 112.26 1x4n h GLN 80 Ca 0.85 0.07 0.15 0.00 -1.45 0.00 0.00 58.65 58.27 1x4n h GLN 80 Cb 2.87 0.25 -0.16 0.00 -0.05 0.00 0.00 27.48 30.40 1x4n h GLN 80 CO -0.32 -0.73 -0.38 0.82 -0.95 0.00 0.00 178.83 177.27 1x4n h ILE 81 N -1.14 0.01 -0.07 2.54 2.04 0.19 1.61 117.51 122.69 1x4n h ILE 81 Ca -0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1x4n h ILE 81 Cb 0.92 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1x4n h ILE 81 CO 0.09 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 178.49 1x4n h VAL 82 N -0.01 0.28 0.19 1.67 2.07 -1.31 0.15 116.25 119.30 1x4n h VAL 82 Ca 0.34 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.87 1x4n h VAL 82 Cb 0.60 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1x4n h VAL 82 CO -0.98 0.00 -0.21 -0.33 0.02 0.00 0.00 177.57 176.07 1x4n h GLU 83 N -0.44 -0.43 -0.62 1.57 3.07 0.13 0.47 114.58 118.33 1x4n h GLU 83 Ca 0.08 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.15 1x4n h GLU 83 Cb 0.56 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1x4n h GLU 83 CO -0.32 -0.28 0.62 0.87 -1.40 0.00 0.00 179.01 178.50 1x4n h LYS 84 N -0.44 0.00 -1.53 2.33 1.79 0.26 0.74 116.57 119.71 1x4n h LYS 84 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1x4n h LYS 84 Cb 0.42 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.66 1x4n h LYS 84 CO -0.06 0.00 -0.80 0.41 -1.08 0.00 0.00 179.45 177.91 1x4n n GLY 85 N -1.57 5.21 0.33 3.86 0.00 0.49 -4.45 105.19 109.06 1x4n n GLY 85 Ca 0.12 -2.52 -0.10 0.00 0.00 0.00 0.00 46.02 43.53 1x4n n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 86 N -0.37 0.26 -0.06 1.61 5.12 0.25 -4.85 116.66 118.63 1x4n n ARG 86 Ca 0.33 0.09 -0.04 0.00 -1.93 0.00 0.00 57.85 56.30 1x4n n ARG 86 Cb 0.66 -1.08 -0.01 0.00 -1.16 0.00 0.00 32.46 30.87 1x4n n ARG 86 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1x4n h SER 87 N -0.20 0.00 0.00 0.55 0.02 -1.85 -3.51 113.55 108.55 1x4n h SER 87 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1x4n h SER 87 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1x4n h SER 87 CO -0.11 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1x4n n GLY 88 N 1.64 2.10 3.71 -3.77 0.00 -1.26 -5.14 105.19 102.48 1x4n n GLY 88 Ca -0.06 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1x4n n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4n s PRO 89 N 1.73 4.45 -0.31 1.61 0.04 -1.26 -4.56 135.00 136.70 1x4n s PRO 89 Ca 0.00 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 1x4n s PRO 89 Cb 0.00 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1x4n s PRO 89 CO 0.00 -0.22 0.05 0.45 0.04 0.00 0.00 177.00 177.31 1x4n s SER 90 N 1.03 5.01 -0.03 6.66 0.15 -1.26 -5.08 113.70 120.19 1x4n s SER 90 Ca 0.58 -1.04 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1x4n s SER 90 Cb -0.28 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1x4n s SER 90 CO 0.29 -0.25 -0.06 -0.55 1.20 0.00 0.00 173.24 173.87 1x4n s SER 91 N 1.37 0.88 0.00 5.45 0.15 -1.26 -5.16 113.70 115.13 1x4n s SER 91 Ca -0.01 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1x4n s SER 91 Cb -0.19 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1x4n s SER 91 CO 0.01 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07