#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 5.18 0.24 1.61 1.04 -1.26 -5.07 113.70 115.44 1x4n s SER 2 Ca 0.00 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.12 1x4n s SER 2 Cb 0.00 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.22 1x4n s SER 2 CO 0.00 0.21 1.50 -0.55 0.98 0.00 0.00 173.24 175.38 1x4n s SER 3 N 0.14 6.58 -0.28 7.02 0.15 -1.26 -4.98 113.70 121.07 1x4n s SER 3 Ca 0.01 2.71 -0.26 0.00 0.70 0.00 0.00 55.95 59.11 1x4n s SER 3 Cb -0.13 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.74 1x4n s SER 3 CO 0.02 -0.77 1.32 -0.83 1.20 0.00 0.00 173.24 174.18 1x4n s GLY 4 N 0.56 0.17 -0.30 9.45 0.00 -1.26 -5.14 107.32 110.80 1x4n s GLY 4 Ca 0.62 3.14 -0.01 0.00 0.00 0.00 0.00 44.72 48.47 1x4n s GLY 4 CO 0.41 1.70 0.79 -0.45 0.00 0.00 0.00 173.10 175.55 1x4n s SER 5 N -0.22 -1.10 0.32 1.64 0.15 -1.26 -5.17 113.70 108.06 1x4n s SER 5 Ca 0.06 0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.86 1x4n s SER 5 Cb -0.04 1.65 -0.06 0.00 -1.71 0.00 0.00 66.02 65.87 1x4n s SER 5 CO -0.11 -0.19 -0.08 -0.44 1.20 0.00 0.00 173.24 173.62 1x4n s SER 6 N 2.76 3.91 0.00 5.45 0.01 -1.26 -5.14 113.70 119.44 1x4n s SER 6 Ca 0.18 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1x4n s SER 6 Cb -0.06 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1x4n s SER 6 CO -0.23 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1x4n n GLY 7 N -0.81 1.98 3.20 3.44 0.00 -1.26 -5.19 105.19 106.56 1x4n n GLY 7 Ca -0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1x4n n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4n s HIS 8 N -2.00 0.59 0.40 1.61 0.00 -1.26 -5.18 115.29 109.45 1x4n s HIS 8 Ca 0.00 -0.99 0.04 0.00 -3.00 0.00 0.00 55.06 51.11 1x4n s HIS 8 Cb 0.00 -0.29 -0.05 0.00 -4.00 0.00 0.00 32.58 28.24 1x4n s HIS 8 CO 0.00 -0.56 0.04 1.14 -1.00 0.00 0.00 174.74 174.36 1x4n s GLN 9 N -3.98 1.90 -0.10 -0.38 0.00 -1.26 -5.16 119.66 110.68 1x4n s GLN 9 Ca 0.17 -2.12 -0.30 0.00 -0.00 0.00 0.00 55.36 53.12 1x4n s GLN 9 Cb 0.06 -1.23 0.11 0.00 0.00 0.00 0.00 33.01 31.95 1x4n s GLN 9 CO -0.02 -0.21 0.92 -1.14 0.00 0.00 0.00 175.29 174.84 1x4n s GLN 10 N -3.80 0.72 0.07 9.60 2.00 -1.26 -5.18 119.66 121.81 1x4n s GLN 10 Ca 0.28 0.04 0.02 0.00 -2.00 0.00 0.00 55.36 53.70 1x4n s GLN 10 Cb 0.07 0.34 -0.03 0.00 0.80 0.00 0.00 33.01 34.18 1x4n s GLN 10 CO 0.14 -0.25 -0.08 -1.14 -0.50 0.00 0.00 175.29 173.46 1x4n s GLN 11 N -1.68 0.70 0.21 1.67 0.74 -1.26 -5.06 119.66 114.98 1x4n s GLN 11 Ca -0.01 -1.04 0.00 0.00 0.05 0.00 0.00 55.36 54.36 1x4n s GLN 11 Cb -0.01 -0.31 0.00 0.00 1.10 0.00 0.00 33.01 33.80 1x4n s GLN 11 CO -0.00 0.03 0.00 0.54 -0.55 0.00 0.00 175.29 175.31 1x4n n ARG 12 N 0.76 0.00 -3.91 1.67 1.74 -1.26 -5.17 116.66 110.49 1x4n n ARG 12 Ca -0.18 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.80 1x4n n ARG 12 Cb 0.57 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.01 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 -4.18 0.28 0.05 0.55 0.01 -1.26 -5.17 113.70 103.98 1x4n s SER 13 Ca 0.00 -1.21 0.05 0.00 1.31 0.00 0.00 55.95 56.09 1x4n s SER 13 Cb 0.00 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 1x4n s SER 13 CO 0.00 -1.53 -0.06 -0.69 0.41 0.00 0.00 173.24 171.37 1x4n s VAL 14 N -2.71 3.65 0.26 3.43 1.01 -1.26 -4.51 120.40 120.27 1x4n s VAL 14 Ca 0.20 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1x4n s VAL 14 Cb -0.04 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1x4n s VAL 14 CO 0.14 0.25 -0.01 0.00 0.00 0.00 0.00 175.10 175.49 1x4n s MET 15 N -1.84 1.44 -0.14 2.72 0.23 -0.97 -4.94 119.30 115.80 1x4n s MET 15 Ca 0.20 -1.74 0.02 0.00 -1.03 0.00 0.00 55.69 53.15 1x4n s MET 15 Cb -0.11 -0.78 0.01 0.00 -1.53 0.00 0.00 34.83 32.42 1x4n s MET 15 CO 0.12 -0.08 -0.22 0.99 -2.03 0.00 0.00 175.02 173.80 1x4n s THR 16 N -3.31 2.06 0.28 3.16 2.01 -1.26 -3.18 115.64 115.40 1x4n s THR 16 Ca 0.30 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1x4n s THR 16 Cb 0.06 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1x4n s THR 16 CO 0.10 0.55 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.73 1x4n s GLU 17 N 0.86 1.79 -0.31 4.92 2.12 -1.15 -4.99 118.70 121.95 1x4n s GLU 17 Ca -0.06 -1.73 0.03 0.00 0.36 0.00 0.00 54.97 53.58 1x4n s GLU 17 Cb -0.15 -1.83 0.08 0.00 0.26 0.00 0.00 34.13 32.49 1x4n s GLU 17 CO -0.03 0.32 -0.01 -2.00 -0.54 0.00 0.00 175.26 173.00 1x4n s GLU 18 N -3.55 1.69 -0.14 4.30 2.12 -1.26 -2.49 118.70 119.36 1x4n s GLU 18 Ca 0.31 -1.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.01 1x4n s GLU 18 Cb -0.05 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 1x4n s GLU 18 CO 0.16 -0.80 -0.09 -0.47 -0.54 0.00 0.00 175.26 173.52 1x4n s TYR 19 N 1.04 2.91 -0.02 5.30 5.04 -0.99 -4.97 117.35 125.66 1x4n s TYR 19 Ca 0.03 -0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1x4n s TYR 19 Cb -0.19 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 1x4n s TYR 19 CO -0.08 -0.15 0.17 0.15 -1.34 0.00 0.00 175.55 174.31 1x4n s LYS 20 N 0.40 3.42 0.10 4.97 1.02 -1.26 -0.14 119.74 128.25 1x4n s LYS 20 Ca -0.07 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.61 1x4n s LYS 20 Cb -0.15 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1x4n s LYS 20 CO 0.04 0.68 -0.06 0.14 -0.92 0.00 0.00 175.35 175.23 1x4n s VAL 21 N -1.30 0.66 -0.20 3.17 -7.23 0.07 -4.90 120.40 110.67 1x4n s VAL 21 Ca 0.26 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 1x4n s VAL 21 Cb -0.13 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 1x4n s VAL 21 CO 0.18 -0.85 1.29 -2.16 -0.31 0.00 0.00 175.10 173.25 1x4n s PRO 22 N -3.85 4.14 0.64 4.82 0.04 -1.26 0.19 135.00 139.71 1x4n s PRO 22 Ca 0.12 1.58 0.28 0.00 0.04 0.00 0.00 61.00 63.02 1x4n s PRO 22 Cb 0.05 -3.81 1.51 0.00 0.04 0.00 0.00 34.50 32.29 1x4n s PRO 22 CO -0.04 -0.83 1.88 0.22 0.04 0.00 0.00 177.00 178.26 1x4n h ASP 23 N 8.59 0.00 -0.02 6.66 3.58 -1.88 1.57 116.42 134.92 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1x4n h ASP 23 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1x4n h ASP 23 CO 0.99 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1x4n n GLY 24 N -1.34 -0.88 0.51 -0.78 0.00 -1.26 -3.81 105.19 97.63 1x4n n GLY 24 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.59 0.00 -0.29 1.61 2.81 0.51 -4.84 117.12 116.33 1x4n n MET 25 Ca 0.09 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1x4n n MET 25 Cb 0.06 -0.51 0.06 0.00 -0.71 0.00 0.00 33.22 32.12 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 0.13 -1.36 2.03 3.04 -0.88 1.66 116.25 120.87 1x4n h VAL 26 Ca 0.00 0.00 0.40 0.00 -1.01 0.00 0.00 66.70 66.09 1x4n h VAL 26 Cb 0.32 0.13 -0.06 0.00 -2.01 0.00 0.00 31.29 29.66 1x4n h VAL 26 CO 0.00 0.00 0.97 1.23 -1.01 0.00 0.00 177.57 178.76 1x4n h GLY 27 N -0.05 0.18 0.57 3.17 0.00 -1.83 1.44 103.07 106.55 1x4n h GLY 27 Ca 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1x4n h GLY 27 CO -0.84 -0.04 -1.50 0.33 0.00 0.00 0.00 176.54 174.50 1x4n n PHE 28 N -4.19 0.56 0.06 5.60 7.35 0.53 -4.03 117.46 123.34 1x4n n PHE 28 Ca 0.30 0.17 -0.01 0.00 -0.76 0.00 0.00 57.45 57.16 1x4n n PHE 28 Cb 1.40 -0.81 0.29 0.00 0.35 0.00 0.00 39.48 40.71 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 1.23 0.64 -2.13 2.04 0.59 -3.13 117.51 116.74 1x4n h ILE 29 Ca -0.05 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1x4n h ILE 29 Cb 1.15 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1x4n h ILE 29 CO 0.01 0.33 -0.31 0.40 0.00 0.00 0.00 178.15 178.58 1x4n h ILE 30 N 0.33 0.00 0.00 -0.67 5.03 -1.37 -2.06 117.51 118.78 1x4n h ILE 30 Ca 0.06 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1x4n h ILE 30 Cb 0.53 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 1x4n h ILE 30 CO 0.03 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.11 1x4n n GLY 31 N -0.80 1.71 0.43 5.37 0.00 -1.19 -1.05 105.19 109.66 1x4n n GLY 31 Ca -0.11 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 1x4n n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x4n h ARG 32 N 0.00 -0.21 -0.45 1.61 3.08 -1.92 -2.74 114.38 113.76 1x4n h ARG 32 Ca 0.00 0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.73 1x4n h ARG 32 Cb 0.00 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 29.80 1x4n h ARG 32 CO 0.00 -0.14 -0.77 0.41 -1.07 0.00 0.00 179.97 178.40 1x4n n GLY 33 N -1.35 5.23 2.34 0.04 0.00 -1.26 -4.92 105.19 105.27 1x4n n GLY 33 Ca 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.75 -0.18 0.05 -0.02 0.00 -1.03 -4.89 105.19 98.37 1x4n n GLY 34 Ca 0.30 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4n n GLU 35 N -2.48 0.46 -0.05 1.61 2.13 -1.09 -3.24 120.64 117.98 1x4n n GLU 35 Ca -0.14 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.52 1x4n n GLU 35 Cb 0.61 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.62 1x4n n GLU 35 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1x4n h GLN 36 N 0.00 0.83 0.11 5.31 4.15 -1.31 -2.96 115.11 121.24 1x4n h GLN 36 Ca 0.00 -0.59 -0.29 0.00 0.77 0.00 0.00 58.65 58.54 1x4n h GLN 36 Cb 0.87 0.09 0.03 0.00 0.21 0.00 0.00 27.48 28.68 1x4n h GLN 36 CO 0.00 1.21 -1.22 0.97 -1.93 0.00 0.00 178.83 177.86 1x4n h ILE 37 N 0.61 1.30 -0.50 2.39 6.09 -0.60 -3.28 117.51 123.53 1x4n h ILE 37 Ca -0.01 -2.48 0.09 0.00 -1.37 0.00 0.00 64.86 61.09 1x4n h ILE 37 Cb 1.26 2.67 -0.10 0.00 0.47 0.00 0.00 36.82 41.11 1x4n h ILE 37 CO 0.14 0.75 -0.31 -1.28 -3.07 0.00 0.00 178.15 174.38 1x4n h SER 38 N 0.27 -1.07 -0.86 2.19 0.87 -1.56 0.73 113.55 114.13 1x4n h SER 38 Ca -0.18 0.20 0.17 0.00 -1.23 0.00 0.00 61.79 60.76 1x4n h SER 38 Cb 1.89 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 64.31 1x4n h SER 38 CO 0.23 -0.30 0.57 -0.09 -0.53 0.00 0.00 176.83 176.70 1x4n h ARG 39 N -0.19 0.46 -0.12 2.24 2.43 -1.60 0.82 114.38 118.42 1x4n h ARG 39 Ca 0.21 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.14 1x4n h ARG 39 Cb 0.53 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1x4n h ARG 39 CO -0.60 0.31 -0.77 0.82 -1.51 0.00 0.00 179.97 178.21 1x4n h ILE 40 N 0.48 1.32 -0.14 1.20 2.04 0.07 0.88 117.51 123.35 1x4n h ILE 40 Ca 0.44 -2.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.12 1x4n h ILE 40 Cb 0.98 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1x4n h ILE 40 CO -0.17 0.64 -0.46 1.56 0.00 0.00 0.00 178.15 179.72 1x4n h GLN 41 N 0.44 0.35 0.14 2.37 4.20 0.36 -2.39 115.11 120.58 1x4n h GLN 41 Ca -0.05 -0.19 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 1x4n h GLN 41 Cb 1.39 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1x4n h GLN 41 CO 0.15 0.74 -1.60 1.96 -0.67 0.00 0.00 178.83 179.41 1x4n h GLN 42 N 0.28 0.30 0.35 1.46 1.08 0.54 0.23 115.11 119.36 1x4n h GLN 42 Ca 0.02 -0.51 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1x4n h GLN 42 Cb 0.92 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1x4n h GLN 42 CO 0.08 1.18 -0.38 0.93 -0.95 0.00 0.00 178.83 179.69 1x4n h GLU 43 N 0.08 -0.73 0.00 1.46 4.39 0.84 -2.81 114.58 117.81 1x4n h GLU 43 Ca -0.28 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1x4n h GLU 43 Cb 2.05 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.86 1x4n h GLU 43 CO 0.17 -0.49 -0.70 0.66 -1.16 0.00 0.00 179.01 177.49 1x4n h SER 44 N -0.76 0.00 -0.49 1.42 4.64 -1.59 -3.48 113.55 113.30 1x4n h SER 44 Ca -0.02 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1x4n h SER 44 Cb 0.69 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 1x4n h SER 44 CO -0.08 0.01 -0.15 0.61 -0.87 0.00 0.00 176.83 176.35 1x4n n GLY 45 N 1.18 0.81 3.88 -0.77 0.00 0.72 -4.64 105.19 106.37 1x4n n GLY 45 Ca 0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.67 4.04 -0.22 0.00 2.20 -0.46 -4.41 119.74 117.21 1x4n s LYS 47 Ca 0.33 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1x4n s LYS 47 Cb -0.09 -3.20 0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1x4n s LYS 47 CO 0.26 0.65 0.01 0.42 -0.36 0.00 0.00 175.35 176.34 1x4n s ILE 48 N -1.13 0.91 -0.43 5.43 1.01 -1.26 -1.97 121.20 123.76 1x4n s ILE 48 Ca 0.27 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1x4n s ILE 48 Cb -0.18 -1.37 0.10 0.00 0.01 0.00 0.00 42.46 41.02 1x4n s ILE 48 CO 0.16 -0.23 0.26 -1.10 0.00 0.00 0.00 174.94 174.04 1x4n s GLN 49 N 1.67 2.43 -0.13 2.79 -0.21 -0.29 -4.98 119.66 120.95 1x4n s GLN 49 Ca -0.01 -1.62 -0.09 0.00 0.02 0.00 0.00 55.36 53.65 1x4n s GLN 49 Cb -0.18 -3.76 -0.05 0.00 1.00 0.00 0.00 33.01 30.03 1x4n s GLN 49 CO -0.09 -1.04 0.19 0.42 -2.12 0.00 0.00 175.29 172.65 1x4n s ILE 50 N 1.34 5.40 0.73 1.08 1.01 -1.26 -1.43 121.20 128.07 1x4n s ILE 50 Ca 0.04 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.88 1x4n s ILE 50 Cb -0.24 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.79 1x4n s ILE 50 CO -0.00 0.54 1.15 0.00 0.00 0.00 0.00 174.94 176.63 1x4n s ALA 51 N -0.53 2.19 -0.02 9.38 0.00 -1.25 -4.97 121.76 126.57 1x4n s ALA 51 Ca 0.15 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1x4n s ALA 51 Cb -0.12 -3.39 -0.22 0.00 0.00 0.00 0.00 23.12 19.39 1x4n s ALA 51 CO 0.04 -1.74 1.09 -1.00 0.00 0.00 0.00 175.76 174.15 1x4n h PRO 52 N -0.45 0.26 -5.20 0.00 0.13 -1.98 -3.44 132.00 121.32 1x4n h PRO 52 Ca -0.46 -0.25 -0.67 0.00 -0.87 0.00 0.00 66.00 63.75 1x4n h PRO 52 Cb 1.27 0.06 -0.34 0.00 0.13 0.00 0.00 31.00 32.12 1x4n h PRO 52 CO 0.51 0.94 -0.87 0.34 -0.23 0.00 0.00 178.00 178.69 1x4n s ASP 53 N -6.40 3.06 0.05 1.44 2.15 -1.26 -5.02 116.67 110.68 1x4n s ASP 53 Ca -0.15 -0.58 -0.22 0.00 0.43 0.00 0.00 52.55 52.02 1x4n s ASP 53 Cb 0.02 -1.41 -0.14 0.00 -0.30 0.00 0.00 42.92 41.08 1x4n s ASP 53 CO 0.76 0.09 1.48 0.77 -0.17 0.00 0.00 175.17 178.11 1x4n h SER 54 N 7.20 0.16 0.00 -0.34 4.64 -1.96 -3.48 113.55 119.78 1x4n h SER 54 Ca -0.30 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1x4n h SER 54 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1x4n h SER 54 CO 0.53 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1x4n n GLY 55 N -0.31 1.50 1.82 -0.77 0.00 -1.26 -4.33 105.19 101.83 1x4n n GLY 55 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.31 0.45 3.85 -0.02 0.00 -1.26 -5.04 105.19 101.86 1x4n n GLY 56 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 3.61 0.23 0.99 2.01 -1.26 -4.98 118.68 119.28 1x4n s LEU 57 Ca 0.00 1.50 0.10 0.00 0.01 0.00 0.00 54.13 55.73 1x4n s LEU 57 Cb 0.00 -4.44 0.18 0.00 0.01 0.00 0.00 46.19 41.94 1x4n s LEU 57 CO 0.00 -0.59 1.50 1.55 1.01 0.00 0.00 176.35 179.82 1x4n h PRO 58 N 0.82 0.00 -4.94 1.29 0.13 -1.96 -3.45 132.00 123.89 1x4n h PRO 58 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 1x4n h PRO 58 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 1x4n h PRO 58 CO 0.62 0.73 -0.80 -1.21 -0.23 0.00 0.00 178.00 177.11 1x4n s GLU 59 N -3.31 1.02 -0.14 0.86 8.01 -1.26 -3.36 118.70 120.53 1x4n s GLU 59 Ca -0.00 -0.41 -0.22 0.00 0.01 0.00 0.00 54.97 54.35 1x4n s GLU 59 Cb 0.12 -0.97 -0.03 0.00 -4.31 0.00 0.00 34.13 28.94 1x4n s GLU 59 CO 0.78 0.22 0.65 0.50 0.01 0.00 0.00 175.26 177.41 1x4n s ARG 60 N -0.13 4.31 0.11 1.61 6.06 0.49 -4.73 118.95 126.67 1x4n s ARG 60 Ca 0.02 0.71 -0.30 0.00 -2.50 0.00 0.00 55.73 53.66 1x4n s ARG 60 Cb -0.06 -3.52 -0.06 0.00 0.06 0.00 0.00 34.95 31.37 1x4n s ARG 60 CO -0.00 -0.10 1.01 0.45 -2.50 0.00 0.00 175.30 174.16 1x4n s SER 61 N 0.99 7.41 -0.17 -2.12 0.15 -1.26 -0.75 113.70 117.94 1x4n s SER 61 Ca 0.32 1.85 -0.01 0.00 0.70 0.00 0.00 55.95 58.82 1x4n s SER 61 Cb -0.16 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1x4n s SER 61 CO 0.13 -0.15 -0.04 0.00 1.20 0.00 0.00 173.24 174.38 1x4n s MET 63 N 1.64 4.09 0.13 0.00 -1.94 -0.51 -2.36 119.30 120.35 1x4n s MET 63 Ca -0.00 0.83 -0.06 0.00 -1.71 0.00 0.00 55.69 54.75 1x4n s MET 63 Cb -0.16 -3.68 -0.06 0.00 2.01 0.00 0.00 34.83 32.94 1x4n s MET 63 CO -0.08 -0.61 0.39 -0.51 -0.01 0.00 0.00 175.02 174.20 1x4n s LEU 64 N 2.96 4.27 -0.11 -0.03 1.02 -1.04 -1.13 118.68 124.63 1x4n s LEU 64 Ca 0.35 0.65 -0.04 0.00 0.02 0.00 0.00 54.13 55.12 1x4n s LEU 64 Cb -0.15 -3.27 0.06 0.00 0.02 0.00 0.00 46.19 42.85 1x4n s LEU 64 CO 0.10 0.07 0.19 -0.89 0.02 0.00 0.00 176.35 175.84 1x4n s THR 65 N -1.62 -0.31 -5.00 5.49 2.01 -0.83 -2.95 115.64 112.44 1x4n s THR 65 Ca 0.40 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1x4n s THR 65 Cb -0.12 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.02 1x4n s THR 65 CO 0.23 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1x4n n GLY 66 N 5.33 -0.13 3.60 4.40 0.00 -1.19 -1.35 105.19 115.85 1x4n n GLY 66 Ca -0.05 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1x4n n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4n s THR 67 N -2.91 2.03 0.14 2.61 -4.23 -1.26 -2.29 115.64 109.72 1x4n s THR 67 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 1x4n s THR 67 Cb 0.00 -2.02 -0.16 0.00 1.34 0.00 0.00 72.50 71.66 1x4n s THR 67 CO 0.00 -0.01 1.34 1.55 -0.54 0.00 0.00 174.62 176.96 1x4n h PRO 68 N -2.17 0.45 0.00 3.99 0.13 -1.95 -2.01 132.00 130.44 1x4n h PRO 68 Ca -0.50 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1x4n h PRO 68 Cb 1.29 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1x4n h PRO 68 CO 0.44 1.09 0.00 1.49 -0.23 0.00 0.00 178.00 180.79 1x4n h GLU 69 N 0.28 0.00 0.06 0.86 4.22 -1.98 -2.85 114.58 115.17 1x4n h GLU 69 Ca -0.06 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.06 1x4n h GLU 69 Cb 1.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1x4n h GLU 69 CO 0.15 0.00 -1.77 0.77 -2.18 0.00 0.00 179.01 175.99 1x4n h SER 70 N 0.00 0.19 -0.43 1.04 0.02 -1.79 -3.03 113.55 109.54 1x4n h SER 70 Ca 0.00 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1x4n h SER 70 Cb 0.56 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1x4n h SER 70 CO 0.00 1.35 0.16 0.58 -1.14 0.00 0.00 176.83 177.78 1x4n h VAL 71 N 0.03 1.21 0.43 2.27 2.07 -1.18 -1.13 116.25 119.95 1x4n h VAL 71 Ca -0.32 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1x4n h VAL 71 Cb 2.02 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1x4n h VAL 71 CO 0.09 0.24 -0.21 1.56 0.02 0.00 0.00 177.57 179.27 1x4n h GLN 72 N 0.56 -0.56 -0.71 1.57 1.08 -1.65 -0.75 115.11 114.65 1x4n h GLN 72 Ca 0.14 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.52 1x4n h GLN 72 Cb 0.21 0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 27.63 1x4n h GLN 72 CO -0.01 -0.26 -0.22 0.77 -0.95 0.00 0.00 178.83 178.16 1x4n h SER 73 N -0.87 -0.80 0.47 1.46 0.02 -1.49 0.21 113.55 112.55 1x4n h SER 73 Ca -0.06 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1x4n h SER 73 Cb 0.56 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1x4n h SER 73 CO 0.10 -0.26 -0.30 0.00 -1.14 0.00 0.00 176.83 175.23 1x4n h ALA 74 N 1.57 -0.75 -0.86 3.77 0.00 -1.17 -2.16 119.26 119.66 1x4n h ALA 74 Ca 0.33 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.30 1x4n h ALA 74 Cb 0.54 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.56 1x4n h ALA 74 CO -0.75 -0.94 -0.04 0.87 0.00 0.00 0.00 179.25 178.40 1x4n h LYS 75 N -0.75 0.05 -0.97 0.00 1.57 0.57 1.39 116.57 118.43 1x4n h LYS 75 Ca -0.05 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1x4n h LYS 75 Cb 0.62 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 1x4n h LYS 75 CO 0.05 0.03 0.60 0.00 -0.57 0.00 0.00 179.45 179.56 1x4n h ARG 76 N 0.05 0.93 0.16 3.15 2.47 -0.12 0.59 114.38 121.62 1x4n h ARG 76 Ca 0.47 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.13 1x4n h ARG 76 Cb 0.86 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1x4n h ARG 76 CO -0.80 0.62 -0.08 -0.07 0.56 0.00 0.00 179.97 180.20 1x4n h LEU 77 N 0.96 -0.18 0.16 3.04 3.38 0.22 -1.65 115.31 121.24 1x4n h LEU 77 Ca 0.48 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1x4n h LEU 77 Cb 0.46 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1x4n h LEU 77 CO -0.26 0.30 -0.32 -0.07 0.09 0.00 0.00 178.44 178.17 1x4n h LEU 78 N -0.72 -0.94 -0.77 1.67 3.38 0.47 -2.06 115.31 116.35 1x4n h LEU 78 Ca -0.02 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1x4n h LEU 78 Cb 0.51 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 1x4n h LEU 78 CO 0.04 -0.37 -0.28 -0.78 0.09 0.00 0.00 178.44 177.13 1x4n h ASP 79 N -0.52 -1.02 -0.94 -0.43 3.58 0.07 0.75 116.42 117.91 1x4n h ASP 79 Ca -0.02 0.25 0.10 0.00 0.42 0.00 0.00 57.03 57.79 1x4n h ASP 79 Cb 0.49 0.57 -0.12 0.00 1.72 0.00 0.00 39.33 41.99 1x4n h ASP 79 CO -0.13 -0.28 -0.50 1.67 -2.88 0.00 0.00 179.24 177.12 1x4n n GLN 80 N -5.48 -0.36 -0.26 0.28 0.00 -0.62 -0.09 117.38 110.85 1x4n n GLN 80 Ca 0.09 1.43 -0.13 0.00 -0.00 0.00 0.00 57.00 58.39 1x4n n GLN 80 Cb 0.39 -2.10 -0.10 0.00 0.00 0.00 0.00 30.24 28.43 1x4n n GLN 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1x4n h ILE 81 N 0.00 0.00 -0.40 1.69 2.04 -0.34 1.50 117.51 122.00 1x4n h ILE 81 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 1x4n h ILE 81 Cb 0.44 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 1x4n h ILE 81 CO -0.90 0.00 -0.47 0.58 0.00 0.00 0.00 178.15 177.37 1x4n h VAL 82 N -0.23 0.08 0.22 1.67 2.07 -0.35 0.15 116.25 119.86 1x4n h VAL 82 Ca 0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1x4n h VAL 82 Cb 0.52 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1x4n h VAL 82 CO -0.74 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 176.38 1x4n h GLU 83 N -0.36 -0.67 -0.75 1.57 4.81 0.11 0.20 114.58 119.50 1x4n h GLU 83 Ca 0.12 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.61 1x4n h GLU 83 Cb 0.59 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1x4n h GLU 83 CO -0.58 -0.44 0.82 -0.22 -0.73 0.00 0.00 179.01 177.86 1x4n h LYS 84 N -0.69 0.00 -2.10 1.92 3.64 0.30 -1.09 116.57 118.54 1x4n h LYS 84 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1x4n h LYS 84 Cb 0.68 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.09 1x4n h LYS 84 CO -0.17 0.00 -0.94 0.41 -2.27 0.00 0.00 179.45 176.48 1x4n n GLY 85 N -1.61 4.04 0.20 5.01 0.00 0.56 -4.82 105.19 108.58 1x4n n GLY 85 Ca 0.16 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 0.63 0.00 -1.31 1.61 5.12 -0.33 -4.76 116.66 117.62 1x4n n ARG 86 Ca 0.26 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.89 1x4n n ARG 86 Cb 0.52 -0.86 0.15 0.00 -1.16 0.00 0.00 32.46 31.11 1x4n n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x4n s SER 87 N -4.11 3.17 0.00 0.55 0.01 -1.26 -4.97 113.70 107.09 1x4n s SER 87 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1x4n s SER 87 Cb 0.00 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1x4n s SER 87 CO 0.00 -2.79 0.00 0.61 0.41 0.00 0.00 173.24 171.47 1x4n n GLY 88 N -1.49 -1.69 0.07 3.44 0.00 -1.26 -5.01 105.19 99.25 1x4n n GLY 88 Ca 0.06 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 1x4n n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n h PRO 89 N 0.00 -0.03 -0.09 1.61 0.13 -2.07 -3.46 132.00 128.09 1x4n h PRO 89 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.35 1x4n h PRO 89 Cb 0.00 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.96 1x4n h PRO 89 CO 0.00 0.67 0.01 -1.54 -0.23 0.00 0.00 178.00 176.91 1x4n s SER 90 N -5.90 -0.15 -0.29 1.44 1.04 -1.26 -5.16 113.70 103.43 1x4n s SER 90 Ca -0.16 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1x4n s SER 90 Cb -0.01 0.72 0.12 0.00 0.10 0.00 0.00 66.02 66.95 1x4n s SER 90 CO 0.64 -0.02 0.76 -0.55 0.98 0.00 0.00 173.24 175.05 1x4n s SER 91 N 2.57 -0.90 0.00 7.02 0.15 -1.26 -5.14 113.70 116.13 1x4n s SER 91 Ca 0.24 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1x4n s SER 91 Cb 0.02 1.75 0.00 0.00 -1.71 0.00 0.00 66.02 66.08 1x4n s SER 91 CO -0.20 -0.20 0.28 0.61 1.20 0.00 0.00 173.24 174.94