#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n n SER 2 N 0.00 -1.48 -4.69 1.61 7.64 -1.26 -5.15 113.62 110.29 1x4n n SER 2 Ca 0.00 0.56 -0.25 0.00 1.01 0.00 0.00 58.87 60.19 1x4n n SER 2 Cb 0.00 1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 64.77 1x4n n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4n s SER 3 N -2.00 4.34 0.00 6.43 0.01 -1.26 -5.13 113.70 116.09 1x4n s SER 3 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1x4n s SER 3 Cb 0.00 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1x4n s SER 3 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1x4n n GLY 4 N -1.09 2.61 0.00 3.44 0.00 -1.26 -5.15 105.19 103.75 1x4n n GLY 4 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1x4n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4n n SER 5 N 0.00 0.00 -3.63 1.61 2.88 -1.26 -5.17 113.62 108.05 1x4n n SER 5 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1x4n n SER 5 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1x4n n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4n s SER 6 N 0.00 -0.27 0.00 -3.46 1.04 -1.26 -5.17 113.70 104.58 1x4n s SER 6 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1x4n s SER 6 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1x4n s SER 6 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x4n n GLY 7 N 1.68 2.33 3.37 7.32 0.00 -1.26 -5.16 105.19 113.47 1x4n n GLY 7 Ca -0.10 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1x4n n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x4n s HIS 8 N 0.00 -0.90 0.27 1.61 0.09 -1.26 -5.18 115.29 109.93 1x4n s HIS 8 Ca 0.00 1.35 -0.05 0.00 -0.00 0.00 0.00 55.06 56.36 1x4n s HIS 8 Cb 0.00 0.46 -0.01 0.00 -0.00 0.00 0.00 32.58 33.03 1x4n s HIS 8 CO 0.00 -0.46 0.37 -1.14 -0.00 0.00 0.00 174.74 173.51 1x4n s GLN 9 N 2.67 1.59 0.07 1.40 -0.44 -1.26 -5.18 119.66 118.51 1x4n s GLN 9 Ca 0.00 -1.57 0.01 0.00 -2.50 0.00 0.00 55.36 51.30 1x4n s GLN 9 Cb -0.09 0.40 -0.04 0.00 -1.64 0.00 0.00 33.01 31.64 1x4n s GLN 9 CO -0.17 -0.62 -0.05 -1.14 0.50 0.00 0.00 175.29 173.80 1x4n s GLN 10 N -3.70 0.71 -0.28 1.67 2.00 -1.26 -5.14 119.66 113.66 1x4n s GLN 10 Ca 0.31 -1.24 0.01 0.00 -2.00 0.00 0.00 55.36 52.43 1x4n s GLN 10 Cb 0.02 -0.03 0.16 0.00 0.80 0.00 0.00 33.01 33.96 1x4n s GLN 10 CO 0.15 -0.05 0.46 -1.14 -0.50 0.00 0.00 175.29 174.20 1x4n s GLN 11 N -3.70 0.44 0.53 1.67 2.00 -1.26 -5.16 119.66 114.19 1x4n s GLN 11 Ca 0.08 0.48 0.09 0.00 -2.00 0.00 0.00 55.36 54.01 1x4n s GLN 11 Cb 0.05 -0.12 0.06 0.00 0.80 0.00 0.00 33.01 33.81 1x4n s GLN 11 CO -0.07 -0.83 0.71 1.03 -0.50 0.00 0.00 175.29 175.63 1x4n s ARG 12 N 2.64 2.44 0.52 1.67 3.00 -1.26 -5.00 118.95 122.96 1x4n s ARG 12 Ca 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 55.73 54.30 1x4n s ARG 12 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 34.95 32.17 1x4n s ARG 12 CO -0.23 -0.69 0.00 0.43 0.00 0.00 0.00 175.30 174.80 1x4n n SER 13 N -2.11 -8.34 -4.05 0.23 7.64 -1.26 -4.98 113.62 100.74 1x4n n SER 13 Ca 0.13 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 61.05 1x4n n SER 13 Cb 0.61 -4.72 -0.11 0.00 -1.01 0.00 0.00 64.21 58.98 1x4n n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x4n s VAL 14 N -3.57 0.43 0.16 0.44 1.01 -1.26 -4.65 120.40 112.95 1x4n s VAL 14 Ca 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1x4n s VAL 14 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1x4n s VAL 14 CO 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 175.10 174.53 1x4n s MET 15 N -1.81 1.12 0.17 2.72 0.23 -1.01 -4.91 119.30 115.80 1x4n s MET 15 Ca -0.09 -1.49 0.08 0.00 -1.03 0.00 0.00 55.69 53.15 1x4n s MET 15 Cb -0.08 -0.66 -0.04 0.00 -1.53 0.00 0.00 34.83 32.52 1x4n s MET 15 CO -0.01 0.06 -0.03 0.99 -2.03 0.00 0.00 175.02 174.00 1x4n s THR 16 N -3.31 3.57 -0.15 3.16 2.01 -1.26 -2.20 115.64 117.45 1x4n s THR 16 Ca 0.19 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.60 1x4n s THR 16 Cb 0.03 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1x4n s THR 16 CO 0.02 -0.08 0.40 -0.70 -0.69 0.00 0.00 174.62 173.57 1x4n s GLU 17 N -2.83 0.46 -0.63 4.92 2.12 -0.89 -5.00 118.70 116.85 1x4n s GLU 17 Ca 0.26 0.60 -0.17 0.00 0.36 0.00 0.00 54.97 56.02 1x4n s GLU 17 Cb -0.09 0.19 0.14 0.00 0.26 0.00 0.00 34.13 34.62 1x4n s GLU 17 CO 0.17 -0.07 0.65 -2.00 -0.54 0.00 0.00 175.26 173.47 1x4n s GLU 18 N 0.41 3.15 -0.26 4.30 2.12 -1.26 -1.67 118.70 125.49 1x4n s GLU 18 Ca -0.02 -1.71 -0.11 0.00 0.36 0.00 0.00 54.97 53.49 1x4n s GLU 18 Cb -0.04 -4.34 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 1x4n s GLU 18 CO -0.02 -1.42 0.19 -0.47 -0.54 0.00 0.00 175.26 173.00 1x4n s TYR 19 N 1.77 3.27 0.35 5.30 5.04 -1.13 -4.95 117.35 127.00 1x4n s TYR 19 Ca 0.10 0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 54.85 1x4n s TYR 19 Cb -0.23 -2.34 -0.06 0.00 0.35 0.00 0.00 41.96 39.69 1x4n s TYR 19 CO 0.01 -0.05 0.65 0.15 -1.34 0.00 0.00 175.55 174.98 1x4n s LYS 20 N 1.42 3.69 0.16 4.97 -0.14 -1.26 -1.24 119.74 127.33 1x4n s LYS 20 Ca 0.08 0.20 -0.16 0.00 -1.36 0.00 0.00 55.97 54.73 1x4n s LYS 20 Cb -0.15 -2.53 0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1x4n s LYS 20 CO 0.08 0.09 0.43 0.14 -0.76 0.00 0.00 175.35 175.33 1x4n s VAL 21 N -2.23 0.05 -0.22 3.17 -7.23 -0.20 -4.93 120.40 108.82 1x4n s VAL 21 Ca 0.47 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 1x4n s VAL 21 Cb -0.10 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1x4n s VAL 21 CO 0.31 -0.24 1.31 -2.16 -0.31 0.00 0.00 175.10 174.01 1x4n s PRO 22 N -3.85 4.09 0.60 4.82 0.04 -1.26 0.19 135.00 139.62 1x4n s PRO 22 Ca 0.07 1.52 0.36 0.00 0.04 0.00 0.00 61.00 62.99 1x4n s PRO 22 Cb 0.01 -3.83 1.95 0.00 0.04 0.00 0.00 34.50 32.67 1x4n s PRO 22 CO -0.07 -0.90 2.09 0.22 0.04 0.00 0.00 177.00 178.38 1x4n h ASP 23 N 8.79 0.00 0.58 6.66 1.82 -1.89 0.75 116.42 133.14 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1x4n h ASP 23 Cb 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1x4n h ASP 23 CO 1.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 179.24 1x4n n GLY 24 N -1.16 -1.21 0.20 -0.78 0.00 -1.26 -3.66 105.19 97.32 1x4n n GLY 24 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.33 0.00 -0.31 1.61 2.81 0.23 -4.75 117.12 115.37 1x4n n MET 25 Ca 0.11 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.04 1x4n n MET 25 Cb 0.23 -0.83 0.11 0.00 -0.71 0.00 0.00 33.22 32.03 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 0.11 -1.05 2.03 3.04 -0.64 1.85 116.25 121.59 1x4n h VAL 26 Ca 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 65.97 1x4n h VAL 26 Cb 0.82 0.11 -0.08 0.00 -2.01 0.00 0.00 31.29 30.13 1x4n h VAL 26 CO 0.00 0.00 0.70 1.23 -1.01 0.00 0.00 177.57 178.49 1x4n h GLY 27 N -0.00 0.86 1.30 3.17 0.00 -1.82 0.65 103.07 107.23 1x4n h GLY 27 Ca 0.42 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 1x4n h GLY 27 CO -0.91 -0.09 -1.10 -2.75 0.00 0.00 0.00 176.54 171.69 1x4n h PHE 28 N 0.28 0.00 0.00 5.60 3.57 0.23 -3.29 116.94 123.34 1x4n h PHE 28 Ca 0.57 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.03 1x4n h PHE 28 Cb 1.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 1x4n h PHE 28 CO -0.00 0.51 -0.18 0.82 -2.23 0.00 0.00 178.31 177.23 1x4n h ILE 29 N 0.00 0.73 0.89 1.41 2.04 0.41 -3.00 117.51 120.00 1x4n h ILE 29 Ca -0.10 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1x4n h ILE 29 Cb 1.48 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1x4n h ILE 29 CO 0.05 0.18 -0.43 0.40 0.00 0.00 0.00 178.15 178.35 1x4n h ILE 30 N 0.00 0.00 0.00 -0.67 2.04 -1.30 -1.37 117.51 116.21 1x4n h ILE 30 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1x4n h ILE 30 Cb 0.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1x4n h ILE 30 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 1x4n n GLY 31 N -1.34 2.22 0.37 5.37 0.00 -1.13 -1.03 105.19 109.65 1x4n n GLY 31 Ca -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 43.85 1x4n n GLY 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x4n h ARG 32 N 0.00 -0.03 -0.81 1.61 1.12 -1.94 -1.55 114.38 112.78 1x4n h ARG 32 Ca 0.00 0.00 -0.51 0.00 -1.11 0.00 0.00 59.98 58.36 1x4n h ARG 32 Cb 0.00 0.01 -0.42 0.00 -0.01 0.00 0.00 29.97 29.54 1x4n h ARG 32 CO 0.00 -0.02 -0.85 0.41 -3.11 0.00 0.00 179.97 176.40 1x4n n GLY 33 N -1.48 5.68 2.45 2.80 0.00 -1.26 -4.91 105.19 108.47 1x4n n GLY 33 Ca 0.09 -2.45 -0.19 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.65 1.03 0.10 -0.02 0.00 -0.58 -4.83 105.19 100.24 1x4n n GLY 34 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x4n h GLU 35 N 0.00 0.16 -0.73 1.61 4.81 -1.69 -3.22 114.58 115.52 1x4n h GLU 35 Ca -0.41 -0.28 0.16 0.00 -0.13 0.00 0.00 59.36 58.70 1x4n h GLU 35 Cb 1.28 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.65 1x4n h GLU 35 CO 0.56 0.95 0.14 0.37 -0.73 0.00 0.00 179.01 180.31 1x4n h GLN 36 N 0.04 0.22 -0.08 1.92 5.75 -1.29 0.50 115.11 122.18 1x4n h GLN 36 Ca -0.25 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1x4n h GLN 36 Cb 1.99 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.49 1x4n h GLN 36 CO 0.13 0.15 -0.06 0.97 -2.65 0.00 0.00 178.83 177.36 1x4n h ILE 37 N 0.23 1.36 -0.82 2.39 6.09 -0.30 -3.15 117.51 123.31 1x4n h ILE 37 Ca 0.41 -1.19 0.16 0.00 -1.37 0.00 0.00 64.86 62.88 1x4n h ILE 37 Cb 0.72 1.98 -0.15 0.00 0.47 0.00 0.00 36.82 39.84 1x4n h ILE 37 CO -0.54 0.33 -0.21 -1.28 -3.07 0.00 0.00 178.15 173.38 1x4n h SER 38 N -0.24 -0.79 -0.83 2.19 0.87 -1.08 1.48 113.55 115.15 1x4n h SER 38 Ca 0.01 0.25 0.15 0.00 -1.23 0.00 0.00 61.79 60.97 1x4n h SER 38 Cb 0.56 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 62.98 1x4n h SER 38 CO 0.02 -0.27 0.54 -0.09 -0.53 0.00 0.00 176.83 176.50 1x4n h ARG 39 N -0.01 0.51 -0.13 2.24 2.43 -0.95 0.69 114.38 119.17 1x4n h ARG 39 Ca 0.39 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.34 1x4n h ARG 39 Cb 0.60 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1x4n h ARG 39 CO -0.84 0.34 -0.69 0.82 -1.51 0.00 0.00 179.97 178.09 1x4n h ILE 40 N 0.53 1.34 -0.24 1.20 2.04 0.19 0.50 117.51 123.08 1x4n h ILE 40 Ca 0.41 -2.00 -0.16 0.00 1.00 0.00 0.00 64.86 64.11 1x4n h ILE 40 Cb 0.84 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1x4n h ILE 40 CO -0.16 0.61 -0.50 1.56 0.00 0.00 0.00 178.15 179.66 1x4n h GLN 41 N 0.38 0.65 0.00 2.37 4.20 0.24 -0.59 115.11 122.36 1x4n h GLN 41 Ca -0.02 -0.39 -0.21 0.00 0.06 0.00 0.00 58.65 58.09 1x4n h GLN 41 Cb 1.26 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 1x4n h GLN 41 CO 0.13 1.00 -1.01 1.96 -0.67 0.00 0.00 178.83 180.23 1x4n h GLN 42 N 0.51 0.00 -0.05 1.46 1.08 0.26 0.58 115.11 118.96 1x4n h GLN 42 Ca 0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1x4n h GLN 42 Cb 1.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1x4n h GLN 42 CO 0.10 0.92 -0.06 0.93 -0.95 0.00 0.00 178.83 179.78 1x4n h GLU 43 N 0.00 0.13 -0.01 1.46 4.39 0.12 -3.17 114.58 117.50 1x4n h GLU 43 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1x4n h GLU 43 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1x4n h GLU 43 CO 0.12 0.59 -0.39 -1.13 -1.16 0.00 0.00 179.01 177.04 1x4n n SER 44 N -4.74 1.10 -3.09 1.42 3.41 -0.24 -4.94 113.62 106.54 1x4n n SER 44 Ca -0.08 -0.89 -0.22 0.00 -0.26 0.00 0.00 58.87 57.43 1x4n n SER 44 Cb 0.30 0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1x4n n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 45 N 1.39 -0.51 3.39 5.00 0.00 0.19 -4.60 105.19 110.05 1x4n n GLY 45 Ca 0.10 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.63 4.43 -0.26 0.00 2.20 -0.66 -4.36 119.74 118.45 1x4n s LYS 47 Ca 0.18 1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.86 1x4n s LYS 47 Cb -0.08 -2.86 0.09 0.00 -1.51 0.00 0.00 37.83 33.47 1x4n s LYS 47 CO 0.09 0.35 0.10 0.42 -0.36 0.00 0.00 175.35 175.95 1x4n s ILE 48 N -1.55 0.25 -0.50 5.43 1.01 -1.26 -2.68 121.20 121.90 1x4n s ILE 48 Ca 0.46 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1x4n s ILE 48 Cb -0.18 -1.10 0.12 0.00 0.01 0.00 0.00 42.46 41.31 1x4n s ILE 48 CO 0.23 -0.58 0.42 -1.10 0.00 0.00 0.00 174.94 173.91 1x4n s GLN 49 N 1.95 2.73 -0.15 2.79 -0.21 -0.18 -4.96 119.66 121.63 1x4n s GLN 49 Ca 0.07 -1.73 -0.09 0.00 0.02 0.00 0.00 55.36 53.63 1x4n s GLN 49 Cb -0.16 -4.11 -0.05 0.00 1.00 0.00 0.00 33.01 29.69 1x4n s GLN 49 CO -0.26 -1.26 0.16 0.42 -2.12 0.00 0.00 175.29 172.24 1x4n s ILE 50 N 1.48 5.43 0.70 1.08 1.01 -1.26 -1.17 121.20 128.47 1x4n s ILE 50 Ca 0.04 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 1x4n s ILE 50 Cb -0.28 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1x4n s ILE 50 CO 0.01 0.53 1.16 0.00 0.00 0.00 0.00 174.94 176.64 1x4n s ALA 51 N -0.37 2.26 -0.08 9.38 0.00 -1.24 -4.97 121.76 126.74 1x4n s ALA 51 Ca 0.13 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 1x4n s ALA 51 Cb -0.12 -3.40 -0.20 0.00 0.00 0.00 0.00 23.12 19.41 1x4n s ALA 51 CO 0.02 -1.62 0.88 -1.00 0.00 0.00 0.00 175.76 174.04 1x4n h PRO 52 N -0.19 -0.07 -4.81 0.00 0.13 -1.98 -3.42 132.00 121.66 1x4n h PRO 52 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 1x4n h PRO 52 Cb 1.27 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 32.09 1x4n h PRO 52 CO 0.51 0.55 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.61 1x4n s ASP 53 N -5.80 4.73 0.56 1.44 1.11 -1.26 -4.96 116.67 112.49 1x4n s ASP 53 Ca -0.15 -1.18 0.31 0.00 0.18 0.00 0.00 52.55 51.71 1x4n s ASP 53 Cb -0.01 -1.69 1.47 0.00 1.07 0.00 0.00 42.92 43.76 1x4n s ASP 53 CO 0.57 -0.22 1.85 0.77 1.18 0.00 0.00 175.17 179.32 1x4n h SER 54 N 7.99 0.00 0.00 0.27 4.64 -1.96 -3.46 113.55 121.04 1x4n h SER 54 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1x4n h SER 54 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1x4n h SER 54 CO 0.54 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1x4n n GLY 55 N -1.66 2.01 1.07 -0.77 0.00 -1.26 -3.99 105.19 100.60 1x4n n GLY 55 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.18 3.81 -0.02 0.00 -1.26 -5.15 105.19 102.39 1x4n n GLY 56 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.43 3.86 0.22 0.99 2.01 -1.26 -5.02 118.68 119.06 1x4n s LEU 57 Ca 0.01 -0.09 0.09 0.00 0.01 0.00 0.00 54.13 54.15 1x4n s LEU 57 Cb 0.05 -2.47 0.16 0.00 0.01 0.00 0.00 46.19 43.94 1x4n s LEU 57 CO -0.01 0.07 1.50 1.55 1.01 0.00 0.00 176.35 180.47 1x4n h PRO 58 N 2.45 0.00 -6.26 1.29 0.13 -1.95 -3.44 132.00 124.21 1x4n h PRO 58 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1x4n h PRO 58 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1x4n h PRO 58 CO 0.64 0.75 -0.88 -1.21 -0.23 0.00 0.00 178.00 177.06 1x4n s GLU 59 N -3.30 2.25 0.04 0.86 8.01 -1.26 -3.25 118.70 122.05 1x4n s GLU 59 Ca -0.01 -0.89 -0.23 0.00 0.01 0.00 0.00 54.97 53.85 1x4n s GLU 59 Cb 0.12 -2.04 -0.06 0.00 -4.31 0.00 0.00 34.13 27.84 1x4n s GLU 59 CO 0.78 0.46 0.71 0.50 0.01 0.00 0.00 175.26 177.73 1x4n s ARG 60 N -0.39 4.44 -0.13 1.61 6.06 0.50 -4.74 118.95 126.31 1x4n s ARG 60 Ca 0.04 0.96 -0.20 0.00 -2.50 0.00 0.00 55.73 54.02 1x4n s ARG 60 Cb -0.12 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 1x4n s ARG 60 CO 0.01 0.33 0.59 0.45 -2.50 0.00 0.00 175.30 174.18 1x4n s SER 61 N -0.18 6.76 -0.27 -2.12 0.15 -1.26 -1.03 113.70 115.75 1x4n s SER 61 Ca 0.36 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.95 1x4n s SER 61 Cb -0.20 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 1x4n s SER 61 CO 0.21 -0.12 -0.03 0.00 1.20 0.00 0.00 173.24 174.50 1x4n s MET 63 N 1.24 3.86 0.02 0.00 -1.94 -0.32 -2.82 119.30 119.34 1x4n s MET 63 Ca -0.01 1.25 -0.04 0.00 -1.71 0.00 0.00 55.69 55.17 1x4n s MET 63 Cb -0.19 -3.91 -0.04 0.00 2.01 0.00 0.00 34.83 32.69 1x4n s MET 63 CO -0.08 -1.19 0.24 -0.51 -0.01 0.00 0.00 175.02 173.47 1x4n s LEU 64 N 4.58 4.36 -0.09 -0.03 1.43 -0.67 -1.01 118.68 127.25 1x4n s LEU 64 Ca 0.58 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1x4n s LEU 64 Cb -0.17 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1x4n s LEU 64 CO 0.25 0.23 0.18 -0.89 0.23 0.00 0.00 176.35 176.35 1x4n s THR 65 N -1.36 -0.17 -5.00 5.49 2.01 -1.09 -2.10 115.64 113.42 1x4n s THR 65 Ca 0.29 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1x4n s THR 65 Cb -0.13 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1x4n s THR 65 CO 0.19 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1x4n n GLY 66 N 4.72 0.18 3.56 4.40 0.00 -0.94 -1.65 105.19 115.46 1x4n n GLY 66 Ca -0.17 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 0.03 2.61 -2.24 -1.26 -2.41 114.28 120.01 1x4n n THR 67 Ca 0.00 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1x4n n THR 67 Cb 0.00 -0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.97 0.66 0.00 -0.78 0.13 -1.93 -1.95 132.00 126.16 1x4n h PRO 68 Ca -0.47 -0.65 -0.05 0.00 -0.87 0.00 0.00 66.00 63.97 1x4n h PRO 68 Cb 1.29 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1x4n h PRO 68 CO 0.41 1.25 -0.24 1.49 -0.23 0.00 0.00 178.00 180.67 1x4n h GLU 69 N 0.40 0.00 0.13 0.86 4.22 -1.99 -2.63 114.58 115.57 1x4n h GLU 69 Ca -0.09 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.07 1x4n h GLU 69 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1x4n h GLU 69 CO 0.18 0.24 -1.30 0.77 -2.18 0.00 0.00 179.01 176.72 1x4n h SER 70 N 0.00 0.42 -0.88 1.04 0.02 -1.79 -1.97 113.55 110.38 1x4n h SER 70 Ca -0.00 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1x4n h SER 70 Cb 0.64 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1x4n h SER 70 CO 0.03 1.37 0.53 0.58 -1.14 0.00 0.00 176.83 178.20 1x4n h VAL 71 N 0.07 1.24 -0.00 2.27 2.07 -1.01 0.75 116.25 121.65 1x4n h VAL 71 Ca -0.16 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1x4n h VAL 71 Cb 1.98 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1x4n h VAL 71 CO 0.20 0.26 -0.03 -0.61 0.02 0.00 0.00 177.57 177.41 1x4n h GLN 72 N 1.22 0.02 -0.35 1.57 4.15 -1.54 -2.21 115.11 117.97 1x4n h GLN 72 Ca 0.32 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.80 1x4n h GLN 72 Cb -0.05 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.57 1x4n h GLN 72 CO -0.06 0.77 -0.22 0.77 -1.93 0.00 0.00 178.83 178.17 1x4n h SER 73 N -0.73 -0.73 -0.13 -0.69 0.02 -1.15 0.17 113.55 110.30 1x4n h SER 73 Ca -0.00 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1x4n h SER 73 Cb 0.78 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1x4n h SER 73 CO 0.01 -0.25 0.01 0.00 -1.14 0.00 0.00 176.83 175.46 1x4n h ALA 74 N 1.01 0.12 -0.55 3.77 0.00 -0.94 -2.22 119.26 120.45 1x4n h ALA 74 Ca 0.18 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1x4n h ALA 74 Cb 0.44 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 1x4n h ALA 74 CO -0.46 -0.44 -0.20 0.87 0.00 0.00 0.00 179.25 179.03 1x4n h LYS 75 N 0.06 -0.06 -0.97 0.00 1.57 -0.53 0.66 116.57 117.30 1x4n h LYS 75 Ca 0.06 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.04 1x4n h LYS 75 Cb 0.06 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 1x4n h LYS 75 CO -0.09 -0.04 0.61 0.00 -0.57 0.00 0.00 179.45 179.36 1x4n h ARG 76 N -0.06 0.58 -0.08 3.15 2.47 -0.15 0.55 114.38 120.84 1x4n h ARG 76 Ca 0.26 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.90 1x4n h ARG 76 Cb 0.46 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1x4n h ARG 76 CO -0.60 0.38 -0.11 -0.07 0.56 0.00 0.00 179.97 180.13 1x4n h LEU 77 N 0.60 0.23 0.37 3.04 3.38 0.60 -0.95 115.31 122.57 1x4n h LEU 77 Ca 0.53 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x4n h LEU 77 Cb 1.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1x4n h LEU 77 CO -0.28 0.71 -0.22 -0.07 0.09 0.00 0.00 178.44 178.67 1x4n h LEU 78 N -0.25 -0.55 -0.76 1.67 3.38 0.16 -2.57 115.31 116.39 1x4n h LEU 78 Ca 0.01 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.17 1x4n h LEU 78 Cb 0.66 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 1x4n h LEU 78 CO 0.03 -0.34 -0.09 -0.78 0.09 0.00 0.00 178.44 177.35 1x4n h ASP 79 N -0.55 -0.52 -0.89 -0.43 3.58 -0.12 -0.38 116.42 117.12 1x4n h ASP 79 Ca -0.05 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.69 1x4n h ASP 79 Cb 0.44 0.41 -0.11 0.00 1.72 0.00 0.00 39.33 41.79 1x4n h ASP 79 CO 0.06 -0.22 -0.52 0.00 -2.88 0.00 0.00 179.24 175.67 1x4n n GLN 80 N -5.42 -0.39 -0.25 0.28 1.13 -0.36 0.17 117.38 112.53 1x4n n GLN 80 Ca 0.12 1.43 0.05 0.00 -1.94 0.00 0.00 57.00 56.66 1x4n n GLN 80 Cb 0.44 -2.11 0.16 0.00 0.11 0.00 0.00 30.24 28.84 1x4n n GLN 80 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1x4n h ILE 81 N 0.00 0.35 0.74 5.09 2.04 -0.68 1.56 117.51 126.61 1x4n h ILE 81 Ca 0.14 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1x4n h ILE 81 Cb 0.36 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1x4n h ILE 81 CO -0.83 0.02 -0.36 0.58 0.00 0.00 0.00 178.15 177.56 1x4n h VAL 82 N 0.11 0.14 -0.85 1.67 2.07 0.85 -0.71 116.25 119.53 1x4n h VAL 82 Ca 0.41 -0.20 0.18 0.00 0.82 0.00 0.00 66.70 67.91 1x4n h VAL 82 Cb 0.72 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 1x4n h VAL 82 CO -0.66 0.01 0.37 -0.08 0.02 0.00 0.00 177.57 177.24 1x4n h GLU 83 N -1.17 0.45 -0.13 1.57 4.81 0.32 0.14 114.58 120.57 1x4n h GLU 83 Ca -0.10 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1x4n h GLU 83 Cb 0.78 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1x4n h GLU 83 CO 0.17 0.29 0.02 0.87 -0.73 0.00 0.00 179.01 179.64 1x4n h LYS 84 N 0.46 0.08 -2.44 1.92 1.57 0.23 -3.19 116.57 115.20 1x4n h LYS 84 Ca 0.50 -0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.59 1x4n h LYS 84 Cb 0.85 -0.02 -0.36 0.00 0.08 0.00 0.00 32.23 32.79 1x4n h LYS 84 CO -0.46 0.05 -0.00 0.41 -0.57 0.00 0.00 179.45 178.88 1x4n n GLY 85 N -1.15 5.17 3.43 3.86 0.00 0.31 -4.97 105.19 111.84 1x4n n GLY 85 Ca -0.04 -2.73 -0.44 0.00 0.00 0.00 0.00 46.02 42.81 1x4n n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4n s ARG 86 N -2.89 3.96 0.03 1.61 0.52 -0.16 -4.77 118.95 117.25 1x4n s ARG 86 Ca 0.38 -2.48 0.05 0.00 -0.52 0.00 0.00 55.73 53.16 1x4n s ARG 86 Cb 0.14 -4.90 -0.02 0.00 0.52 0.00 0.00 34.95 30.69 1x4n s ARG 86 CO 0.00 -1.65 -0.16 0.45 0.02 0.00 0.00 175.30 173.96 1x4n s SER 87 N 2.73 1.91 -0.38 0.23 0.15 -1.26 -5.09 113.70 111.99 1x4n s SER 87 Ca 0.37 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1x4n s SER 87 Cb -0.05 -0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.23 1x4n s SER 87 CO -0.04 0.11 0.19 -0.83 1.20 0.00 0.00 173.24 173.87 1x4n s GLY 88 N -0.94 1.32 -0.03 9.45 0.00 -1.26 -4.98 107.32 110.89 1x4n s GLY 88 Ca 0.04 -2.17 -0.23 0.00 0.00 0.00 0.00 44.72 42.36 1x4n s GLY 88 CO 0.01 1.69 1.09 -0.56 0.00 0.00 0.00 173.10 175.32 1x4n h PRO 89 N 7.17 0.25 -6.67 2.90 0.13 -2.03 -3.46 132.00 130.29 1x4n h PRO 89 Ca -0.03 -0.24 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 1x4n h PRO 89 Cb 0.96 0.06 0.22 0.00 0.13 0.00 0.00 31.00 32.37 1x4n h PRO 89 CO 0.43 0.94 -0.83 -1.13 -0.23 0.00 0.00 178.00 177.18 1x4n n SER 90 N -4.45 -2.57 -1.37 1.44 3.41 -1.26 -4.72 113.62 104.10 1x4n n SER 90 Ca -0.09 0.24 0.17 0.00 -0.26 0.00 0.00 58.87 58.93 1x4n n SER 90 Cb 0.52 -1.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 1x4n n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4n n SER 91 N -0.77 -8.08 -0.85 4.04 7.64 -1.26 -5.25 113.62 109.08 1x4n n SER 91 Ca 0.05 1.07 0.12 0.00 1.01 0.00 0.00 58.87 61.12 1x4n n SER 91 Cb 0.56 -4.50 0.20 0.00 -1.01 0.00 0.00 64.21 59.45 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64