#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 1.11 0.37 1.61 1.04 -1.26 -5.17 113.70 111.41 1x4n s SER 2 Ca 0.00 -1.16 0.08 0.00 0.48 0.00 0.00 55.95 55.35 1x4n s SER 2 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1x4n s SER 2 CO 0.00 -0.57 0.34 -0.44 0.98 0.00 0.00 173.24 173.55 1x4n s SER 3 N -3.15 5.18 0.00 7.02 0.01 -1.26 -5.08 113.70 116.43 1x4n s SER 3 Ca 0.22 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1x4n s SER 3 Cb 0.06 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1x4n s SER 3 CO 0.03 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1x4n n GLY 4 N -1.46 3.41 3.03 3.44 0.00 -1.26 -5.11 105.19 107.24 1x4n n GLY 4 Ca 0.01 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1x4n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4n s SER 5 N 0.00 4.59 0.17 1.61 0.15 -1.26 -5.10 113.70 113.87 1x4n s SER 5 Ca 0.00 -1.79 0.09 0.00 0.70 0.00 0.00 55.95 54.94 1x4n s SER 5 Cb 0.00 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1x4n s SER 5 CO 0.00 -0.29 -0.08 -0.55 1.20 0.00 0.00 173.24 173.51 1x4n s SER 6 N 1.01 4.33 0.00 5.45 0.15 -1.26 -5.09 113.70 118.29 1x4n s SER 6 Ca 0.02 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1x4n s SER 6 Cb -0.19 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1x4n s SER 6 CO -0.07 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1x4n n GLY 7 N 0.07 -0.26 1.82 9.45 0.00 -1.26 -5.12 105.19 109.89 1x4n n GLY 7 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x4n n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x4n n HIS 8 N -0.77 -4.24 -3.69 1.61 -0.00 -1.26 -5.05 115.22 101.82 1x4n n HIS 8 Ca 0.00 2.54 -0.13 0.00 -0.00 0.00 0.00 57.72 60.13 1x4n n HIS 8 Cb 0.00 -3.45 -0.13 0.00 -0.00 0.00 0.00 29.99 26.42 1x4n n HIS 8 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1x4n s GLN 9 N -1.09 0.20 -0.24 -0.41 0.74 -1.26 -5.15 119.66 112.45 1x4n s GLN 9 Ca 0.00 0.71 -0.37 0.00 0.05 0.00 0.00 55.36 55.75 1x4n s GLN 9 Cb 0.00 -0.03 0.15 0.00 1.10 0.00 0.00 33.01 34.23 1x4n s GLN 9 CO 0.00 -0.23 1.30 1.14 -0.55 0.00 0.00 175.29 176.95 1x4n s GLN 10 N 1.99 0.16 0.07 1.67 -2.07 -1.26 -5.13 119.66 115.09 1x4n s GLN 10 Ca -0.03 -0.06 -0.36 0.00 -1.82 0.00 0.00 55.36 53.09 1x4n s GLN 10 Cb -0.11 0.07 -0.18 0.00 -1.09 0.00 0.00 33.01 31.69 1x4n s GLN 10 CO -0.09 -0.07 1.00 1.04 -1.32 0.00 0.00 175.29 175.85 1x4n n GLN 11 N -0.05 0.27 0.05 9.60 6.02 -1.26 -4.87 117.38 127.14 1x4n n GLN 11 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1x4n n GLN 11 Cb 0.57 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1x4n n GLN 11 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x4n n ARG 12 N 1.53 0.00 -3.60 -1.09 0.63 -1.26 -5.12 116.66 107.74 1x4n n ARG 12 Ca 0.19 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.99 1x4n n ARG 12 Cb 0.15 -0.42 -0.06 0.00 0.45 0.00 0.00 32.46 32.57 1x4n n ARG 12 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x4n s SER 13 N -5.66 -0.56 0.11 6.15 0.15 -1.26 -5.17 113.70 107.47 1x4n s SER 13 Ca 0.00 0.92 0.08 0.00 0.70 0.00 0.00 55.95 57.65 1x4n s SER 13 Cb 0.00 0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 65.15 1x4n s SER 13 CO 0.00 -0.29 -0.19 -0.69 1.20 0.00 0.00 173.24 173.27 1x4n s VAL 14 N -0.22 1.61 0.14 4.45 1.01 -1.26 -4.25 120.40 121.87 1x4n s VAL 14 Ca -0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 60.34 1x4n s VAL 14 Cb -0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1x4n s VAL 14 CO 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 175.10 175.01 1x4n s MET 15 N -2.16 0.96 -0.09 2.72 0.23 -1.13 -4.93 119.30 114.89 1x4n s MET 15 Ca 0.07 -1.41 0.02 0.00 -1.03 0.00 0.00 55.69 53.34 1x4n s MET 15 Cb -0.09 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1x4n s MET 15 CO 0.04 -0.28 -0.15 0.99 -2.03 0.00 0.00 175.02 173.60 1x4n s THR 16 N -4.04 2.95 0.04 3.16 2.01 -1.26 -2.68 115.64 115.82 1x4n s THR 16 Ca 0.23 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1x4n s THR 16 Cb 0.07 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1x4n s THR 16 CO 0.02 0.55 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.67 1x4n s GLU 17 N -0.08 0.84 -0.47 4.92 2.56 -0.81 -4.98 118.70 120.68 1x4n s GLU 17 Ca -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 54.97 54.16 1x4n s GLU 17 Cb -0.14 -0.82 0.12 0.00 2.00 0.00 0.00 34.13 35.30 1x4n s GLU 17 CO 0.04 0.20 0.30 -2.00 -0.56 0.00 0.00 175.26 173.24 1x4n s GLU 18 N -1.17 2.29 -0.24 4.30 2.12 -1.26 -1.07 118.70 123.68 1x4n s GLU 18 Ca -0.00 -1.92 -0.10 0.00 0.36 0.00 0.00 54.97 53.31 1x4n s GLU 18 Cb -0.08 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 1x4n s GLU 18 CO 0.01 -1.14 0.14 -0.47 -0.54 0.00 0.00 175.26 173.26 1x4n s TYR 19 N 1.03 3.27 0.01 5.30 5.04 -0.88 -4.90 117.35 126.22 1x4n s TYR 19 Ca 0.09 0.12 -0.16 0.00 -2.44 0.00 0.00 57.07 54.68 1x4n s TYR 19 Cb -0.23 -2.26 -0.06 0.00 0.35 0.00 0.00 41.96 39.76 1x4n s TYR 19 CO -0.03 0.00 0.45 0.15 -1.34 0.00 0.00 175.55 174.78 1x4n s LYS 20 N 1.12 4.00 0.09 4.97 1.02 -1.26 -0.20 119.74 129.47 1x4n s LYS 20 Ca 0.07 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.56 1x4n s LYS 20 Cb -0.14 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1x4n s LYS 20 CO 0.05 0.66 -0.07 0.14 -0.92 0.00 0.00 175.35 175.20 1x4n s VAL 21 N -1.02 0.73 -0.31 3.17 -7.23 -0.93 -4.92 120.40 109.88 1x4n s VAL 21 Ca 0.25 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1x4n s VAL 21 Cb -0.17 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1x4n s VAL 21 CO 0.14 -0.76 1.35 -2.16 -0.31 0.00 0.00 175.10 173.37 1x4n s PRO 22 N -3.38 3.83 0.58 4.82 0.04 -1.26 0.11 135.00 139.75 1x4n s PRO 22 Ca 0.08 1.22 0.29 0.00 0.04 0.00 0.00 61.00 62.64 1x4n s PRO 22 Cb 0.02 -3.92 1.45 0.00 0.04 0.00 0.00 34.50 32.08 1x4n s PRO 22 CO -0.03 -1.23 1.86 0.22 0.04 0.00 0.00 177.00 177.86 1x4n h ASP 23 N 9.72 0.00 0.34 6.66 3.58 -1.86 1.56 116.42 136.42 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 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1x4n h ASP 23 CO 1.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 178.01 1x4n n GLY 24 N -1.55 -0.83 0.00 -0.78 0.00 -1.26 -3.14 105.19 97.63 1x4n n GLY 24 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.38 0.04 -0.28 1.61 2.81 0.50 -4.75 117.12 115.67 1x4n n MET 25 Ca 0.05 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.01 1x4n n MET 25 Cb 0.13 -0.92 0.18 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.25 -0.84 2.03 3.04 -0.61 1.73 116.25 121.85 1x4n h VAL 26 Ca 0.00 -0.03 0.24 0.00 -1.01 0.00 0.00 66.70 65.91 1x4n h VAL 26 Cb 0.83 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 30.25 1x4n h VAL 26 CO 0.00 0.01 0.64 1.23 -1.01 0.00 0.00 177.57 178.44 1x4n h GLY 27 N 0.07 0.00 0.57 3.17 0.00 -1.80 0.62 103.07 105.70 1x4n h GLY 27 Ca 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1x4n h GLY 27 CO -0.74 0.00 -1.50 0.33 0.00 0.00 0.00 176.54 174.63 1x4n n PHE 28 N -4.15 0.56 -0.08 5.60 7.35 0.55 -4.07 117.46 123.23 1x4n n PHE 28 Ca 0.17 0.17 -0.04 0.00 -0.76 0.00 0.00 57.45 56.99 1x4n n PHE 28 Cb 0.94 -0.81 0.17 0.00 0.35 0.00 0.00 39.48 40.14 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 0.49 -2.13 2.04 0.37 -3.00 117.51 116.53 1x4n h ILE 29 Ca -0.05 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1x4n h ILE 29 Cb 1.13 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1x4n h ILE 29 CO 0.01 0.36 -0.31 0.40 0.00 0.00 0.00 178.15 178.61 1x4n h ILE 30 N 0.67 0.36 -1.30 -0.67 2.04 -1.47 -0.73 117.51 116.41 1x4n h ILE 30 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1x4n h ILE 30 Cb 0.49 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1x4n h ILE 30 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1x4n n GLY 31 N -1.45 0.66 3.08 5.37 0.00 -1.13 0.31 105.19 112.03 1x4n n GLY 31 Ca -0.11 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1x4n n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x4n n ARG 32 N -0.65 -0.91 0.00 1.61 0.00 -1.26 -3.48 116.66 111.98 1x4n n ARG 32 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.80 1x4n n ARG 32 Cb 0.27 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.44 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 0.59 2.44 0.00 5.14 0.00 -1.26 -4.56 105.19 107.55 1x4n n GLY 33 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 1.94 0.10 -0.02 0.00 -1.10 -5.02 105.19 101.10 1x4n n GLY 34 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 1.61 4.11 -1.15 -2.33 114.58 116.86 1x4n h GLU 35 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1x4n h GLU 35 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1x4n h GLU 35 CO 0.00 0.41 -1.01 0.37 0.07 0.00 0.00 179.01 178.86 1x4n h GLN 36 N 0.00 0.24 0.09 1.06 5.75 -0.30 -3.07 115.11 118.88 1x4n h GLN 36 Ca -0.11 -0.31 -0.27 0.00 -0.15 0.00 0.00 58.65 57.82 1x4n h GLN 36 Cb 1.56 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.20 1x4n h GLN 36 CO 0.06 1.06 -1.27 0.97 -2.65 0.00 0.00 178.83 177.00 1x4n h ILE 37 N 0.11 1.44 -0.15 2.39 -0.00 -0.53 -3.29 117.51 117.48 1x4n h ILE 37 Ca -0.07 -3.07 0.04 0.00 -0.00 0.00 0.00 64.86 61.76 1x4n h ILE 37 Cb 1.68 2.86 -0.04 0.00 -0.00 0.00 0.00 36.82 41.32 1x4n h ILE 37 CO 0.16 0.88 -0.12 -1.28 -0.00 0.00 0.00 178.15 177.79 1x4n h SER 38 N 0.05 -0.38 -0.84 2.19 0.87 -1.45 0.80 113.55 114.79 1x4n h SER 38 Ca -0.14 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.65 1x4n h SER 38 Cb 1.94 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 64.03 1x4n h SER 38 CO 0.17 -0.16 0.55 -0.09 -0.53 0.00 0.00 176.83 176.78 1x4n h ARG 39 N -0.13 0.55 -0.41 2.24 2.43 -1.63 0.71 114.38 118.13 1x4n h ARG 39 Ca 0.10 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1x4n h ARG 39 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1x4n h ARG 39 CO -0.23 0.36 -0.25 0.82 -1.51 0.00 0.00 179.97 179.16 1x4n h ILE 40 N 0.56 1.28 -0.26 1.20 2.04 -1.14 0.94 117.51 122.13 1x4n h ILE 40 Ca 0.42 -1.41 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 1x4n h ILE 40 Cb 0.82 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1x4n h ILE 40 CO -0.17 0.47 -0.43 1.56 0.00 0.00 0.00 178.15 179.59 1x4n h GLN 41 N 0.73 0.64 0.00 2.37 4.20 0.15 -1.67 115.11 121.52 1x4n h GLN 41 Ca 0.09 -0.34 -0.19 0.00 0.06 0.00 0.00 58.65 58.27 1x4n h GLN 41 Cb 0.83 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1x4n h GLN 41 CO 0.07 0.94 -0.90 1.96 -0.67 0.00 0.00 178.83 180.23 1x4n h GLN 42 N 0.52 0.00 0.20 1.46 1.08 0.44 0.85 115.11 119.66 1x4n h GLN 42 Ca 0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1x4n h GLN 42 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1x4n h GLN 42 CO 0.09 0.90 -0.10 0.93 -0.95 0.00 0.00 178.83 179.70 1x4n h GLU 43 N 0.00 -0.26 -0.00 1.46 4.39 0.11 -3.16 114.58 117.11 1x4n h GLU 43 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1x4n h GLU 43 Cb 1.64 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1x4n h GLU 43 CO 0.12 0.06 -0.46 -1.13 -1.16 0.00 0.00 179.01 176.44 1x4n n SER 44 N -5.06 0.80 -2.21 1.42 3.41 -0.64 -4.93 113.62 106.40 1x4n n SER 44 Ca -0.09 -0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 57.73 1x4n n SER 44 Cb 0.24 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.44 0.07 3.68 5.00 0.00 0.28 -4.70 105.19 110.96 1x4n n GLY 45 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.03 4.18 -0.23 0.00 2.20 -0.47 -4.42 119.74 117.96 1x4n s LYS 47 Ca 0.28 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1x4n s LYS 47 Cb -0.09 -2.93 0.08 0.00 -1.51 0.00 0.00 37.83 33.38 1x4n s LYS 47 CO 0.19 0.44 0.08 0.42 -0.36 0.00 0.00 175.35 176.12 1x4n s ILE 48 N -1.47 0.32 -0.53 5.43 1.01 -1.26 -2.09 121.20 122.61 1x4n s ILE 48 Ca 0.40 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 1x4n s ILE 48 Cb -0.17 -1.04 0.13 0.00 0.01 0.00 0.00 42.46 41.39 1x4n s ILE 48 CO 0.20 -0.43 0.48 -1.10 0.00 0.00 0.00 174.94 174.09 1x4n s GLN 49 N 1.93 2.93 -0.08 2.79 -0.21 0.28 -4.92 119.66 122.38 1x4n s GLN 49 Ca 0.04 -1.71 -0.11 0.00 0.02 0.00 0.00 55.36 53.60 1x4n s GLN 49 Cb -0.17 -4.26 -0.05 0.00 1.00 0.00 0.00 33.01 29.54 1x4n s GLN 49 CO -0.18 -1.31 0.26 0.42 -2.12 0.00 0.00 175.29 172.36 1x4n s ILE 50 N 1.58 5.30 0.70 1.08 1.01 -1.26 -0.10 121.20 129.50 1x4n s ILE 50 Ca 0.03 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 1x4n s ILE 50 Cb -0.29 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1x4n s ILE 50 CO 0.03 0.57 1.16 0.00 0.00 0.00 0.00 174.94 176.69 1x4n s ALA 51 N -0.79 2.26 0.07 9.38 0.00 -1.23 -4.96 121.76 126.49 1x4n s ALA 51 Ca 0.18 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 1x4n s ALA 51 Cb -0.14 -3.40 -0.21 0.00 0.00 0.00 0.00 23.12 19.38 1x4n s ALA 51 CO 0.07 -1.62 1.21 -1.00 0.00 0.00 0.00 175.76 174.42 1x4n h PRO 52 N -0.20 0.66 -3.33 0.00 0.13 -1.97 -3.43 132.00 123.86 1x4n h PRO 52 Ca -0.47 -0.65 -0.49 0.00 -0.87 0.00 0.00 66.00 63.52 1x4n h PRO 52 Cb 1.27 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.17 1x4n h PRO 52 CO 0.51 1.25 -0.76 -0.51 -0.23 0.00 0.00 178.00 178.26 1x4n s ASP 53 N -7.09 2.61 0.48 1.44 1.11 -1.26 -5.00 116.67 108.95 1x4n s ASP 53 Ca -0.11 -0.70 0.26 0.00 0.18 0.00 0.00 52.55 52.18 1x4n s ASP 53 Cb 0.07 -0.43 1.31 0.00 1.07 0.00 0.00 42.92 44.93 1x4n s ASP 53 CO 0.89 -0.32 1.85 0.77 1.18 0.00 0.00 175.17 179.54 1x4n h SER 54 N 8.32 0.20 0.00 0.27 4.64 -1.93 -3.45 113.55 121.61 1x4n h SER 54 Ca -0.16 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1x4n h SER 54 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1x4n h SER 54 CO 0.31 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1x4n n GLY 55 N -1.62 0.89 0.77 -0.77 0.00 -1.26 -4.00 105.19 99.20 1x4n n GLY 55 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.18 0.75 3.77 -0.02 0.00 -1.26 -5.06 105.19 101.18 1x4n n GLY 56 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.39 0.39 0.99 2.01 -1.26 -4.94 118.68 119.27 1x4n s LEU 57 Ca 0.00 2.01 0.21 0.00 0.01 0.00 0.00 54.13 56.36 1x4n s LEU 57 Cb 0.00 -4.55 0.59 0.00 0.01 0.00 0.00 46.19 42.24 1x4n s LEU 57 CO 0.00 -1.63 1.68 1.55 1.01 0.00 0.00 176.35 178.96 1x4n h PRO 58 N 0.04 0.00 -4.47 1.29 0.13 -1.95 -3.44 132.00 123.61 1x4n h PRO 58 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1x4n h PRO 58 Cb 1.25 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1x4n h PRO 58 CO 0.54 0.29 -0.79 -1.21 -0.23 0.00 0.00 178.00 176.60 1x4n s GLU 59 N -3.39 1.10 -0.34 0.86 8.01 -1.26 -3.40 118.70 120.29 1x4n s GLU 59 Ca 0.02 -0.29 -0.17 0.00 0.01 0.00 0.00 54.97 54.55 1x4n s GLU 59 Cb 0.09 -1.00 -0.01 0.00 -4.31 0.00 0.00 34.13 28.90 1x4n s GLU 59 CO 0.67 0.06 0.45 0.50 0.01 0.00 0.00 175.26 176.95 1x4n s ARG 60 N 0.44 3.66 0.40 1.61 3.52 0.31 -4.78 118.95 124.11 1x4n s ARG 60 Ca -0.07 -0.21 -0.27 0.00 -0.13 0.00 0.00 55.73 55.05 1x4n s ARG 60 Cb -0.11 -3.78 -0.09 0.00 -1.56 0.00 0.00 34.95 29.40 1x4n s ARG 60 CO 0.01 -0.55 1.38 0.45 -0.81 0.00 0.00 175.30 175.78 1x4n s SER 61 N 1.73 6.26 -0.21 -2.12 0.15 -1.26 -2.18 113.70 116.07 1x4n s SER 61 Ca 0.16 2.83 -0.02 0.00 0.70 0.00 0.00 55.95 59.62 1x4n s SER 61 Cb -0.16 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.56 1x4n s SER 61 CO 0.12 -0.90 0.02 0.00 1.20 0.00 0.00 173.24 173.68 1x4n s MET 63 N 1.73 4.01 0.01 0.00 -1.94 0.86 -2.07 119.30 121.90 1x4n s MET 63 Ca -0.02 1.21 -0.01 0.00 -1.71 0.00 0.00 55.69 55.16 1x4n s MET 63 Cb -0.18 -3.81 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1x4n s MET 63 CO -0.08 -0.99 0.13 -0.51 -0.01 0.00 0.00 175.02 173.56 1x4n s LEU 64 N 3.98 4.10 -0.08 -0.03 1.02 -0.23 0.10 118.68 127.54 1x4n s LEU 64 Ca 0.51 0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.83 1x4n s LEU 64 Cb -0.15 -2.50 0.04 0.00 0.02 0.00 0.00 46.19 43.60 1x4n s LEU 64 CO 0.19 0.24 0.18 -0.89 0.02 0.00 0.00 176.35 176.09 1x4n s THR 65 N -1.31 -0.13 -5.00 5.49 2.01 -0.89 -1.92 115.64 113.90 1x4n s THR 65 Ca 0.27 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1x4n s THR 65 Cb -0.12 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x4n s THR 65 CO 0.18 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1x4n n GLY 66 N 4.56 0.25 3.31 4.40 0.00 -1.09 -1.37 105.19 115.24 1x4n n GLY 66 Ca -0.20 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 7.97 0.00 0.05 2.61 -2.24 -1.26 -2.84 114.28 118.57 1x4n n THR 67 Ca 0.00 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1x4n n THR 67 Cb 0.00 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.54 0.45 0.00 -0.78 0.13 -1.96 -2.15 132.00 126.16 1x4n h PRO 68 Ca -0.45 -0.44 -0.04 0.00 -0.87 0.00 0.00 66.00 64.20 1x4n h PRO 68 Cb 1.30 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1x4n h PRO 68 CO 0.33 1.09 -0.19 1.49 -0.23 0.00 0.00 178.00 180.48 1x4n h GLU 69 N 0.28 0.00 0.19 0.86 4.22 -2.00 -2.84 114.58 115.29 1x4n h GLU 69 Ca -0.06 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.12 1x4n h GLU 69 Cb 1.49 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.77 1x4n h GLU 69 CO 0.15 0.19 -1.12 0.77 -2.18 0.00 0.00 179.01 176.82 1x4n h SER 70 N 0.00 0.64 -0.57 1.04 0.02 -1.81 -2.37 113.55 110.49 1x4n h SER 70 Ca -0.00 -0.94 0.07 0.00 -0.84 0.00 0.00 61.79 60.08 1x4n h SER 70 Cb 0.77 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1x4n h SER 70 CO 0.03 1.54 0.26 0.58 -1.14 0.00 0.00 176.83 178.10 1x4n h VAL 71 N -0.14 0.88 0.20 2.27 2.07 -1.29 0.21 116.25 120.45 1x4n h VAL 71 Ca -0.20 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1x4n h VAL 71 Cb 1.88 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1x4n h VAL 71 CO 0.21 0.09 -0.10 1.56 0.02 0.00 0.00 177.57 179.35 1x4n h GLN 72 N 0.49 -0.26 -0.27 1.57 7.50 -1.59 0.11 115.11 122.66 1x4n h GLN 72 Ca 0.27 0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.50 1x4n h GLN 72 Cb 0.24 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.75 1x4n h GLN 72 CO -0.22 0.03 -0.35 0.77 -1.50 0.00 0.00 178.83 177.55 1x4n h SER 73 N -0.54 -1.14 -0.58 1.46 0.02 -0.97 0.11 113.55 111.90 1x4n h SER 73 Ca -0.03 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1x4n h SER 73 Cb 0.41 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1x4n h SER 73 CO 0.05 -0.36 0.34 0.00 -1.14 0.00 0.00 176.83 175.72 1x4n h ALA 74 N 0.51 0.75 -0.51 3.77 0.00 -0.59 -2.02 119.26 121.16 1x4n h ALA 74 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1x4n h ALA 74 Cb 0.56 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1x4n h ALA 74 CO -0.46 0.05 -0.19 0.87 0.00 0.00 0.00 179.25 179.52 1x4n h LYS 75 N 0.67 -0.07 -0.11 0.00 1.57 0.11 0.82 116.57 119.56 1x4n h LYS 75 Ca 0.24 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1x4n h LYS 75 Cb 0.05 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1x4n h LYS 75 CO -0.12 -0.05 -0.28 0.00 -0.57 0.00 0.00 179.45 178.43 1x4n h ARG 76 N -0.07 -0.36 -0.63 3.15 2.47 -0.16 0.15 114.38 118.92 1x4n h ARG 76 Ca 0.24 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.12 1x4n h ARG 76 Cb 0.45 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.75 1x4n h ARG 76 CO -0.57 -0.24 0.06 -0.07 0.56 0.00 0.00 179.97 179.72 1x4n h LEU 77 N -0.37 -0.16 0.00 3.04 3.38 -0.70 0.56 115.31 121.06 1x4n h LEU 77 Ca 0.09 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1x4n h LEU 77 Cb 0.51 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1x4n h LEU 77 CO -0.32 -0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.32 1x4n n LEU 78 N -5.22 0.00 -0.35 1.67 4.77 0.13 -2.19 117.00 115.81 1x4n n LEU 78 Ca 0.10 0.97 0.03 0.00 -0.03 0.00 0.00 56.01 57.08 1x4n n LEU 78 Cb 0.37 -0.47 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1x4n n LEU 78 CO 0.13 -0.47 0.64 -0.78 -1.33 0.00 0.00 177.39 175.57 1x4n h ASP 79 N 0.00 -1.09 -0.53 -1.43 3.58 -0.40 0.62 116.42 117.17 1x4n h ASP 79 Ca 0.00 0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.79 1x4n h ASP 79 Cb 0.00 0.65 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 1x4n h ASP 79 CO 0.00 -0.31 -0.31 1.67 -2.88 0.00 0.00 179.24 177.41 1x4n n GLN 80 N -5.55 -0.23 -0.33 0.28 0.00 0.19 -0.27 117.38 111.47 1x4n n GLN 80 Ca 0.13 1.21 -0.09 0.00 -0.00 0.00 0.00 57.00 58.24 1x4n n GLN 80 Cb 0.45 -1.79 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 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 0.02 -0.95 1.69 2.04 -0.38 1.72 117.51 121.65 1x4n h ILE 81 Ca 0.08 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.19 1x4n h ILE 81 Cb 0.22 0.02 -0.13 0.00 -0.74 0.00 0.00 36.82 36.18 1x4n h ILE 81 CO -0.50 0.00 0.48 0.58 0.00 0.00 0.00 178.15 178.71 1x4n h VAL 82 N -0.11 0.46 0.21 1.67 2.07 -0.37 0.58 116.25 120.76 1x4n h VAL 82 Ca 0.18 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1x4n h VAL 82 Cb 0.50 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1x4n h VAL 82 CO -0.84 0.08 -0.10 -0.33 0.02 0.00 0.00 177.57 176.40 1x4n h GLU 83 N 0.44 -0.27 -0.99 1.57 5.08 0.46 0.19 114.58 121.06 1x4n h GLU 83 Ca 0.61 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 59.34 1x4n h GLU 83 Cb 1.21 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 1x4n h GLU 83 CO -0.53 -0.18 0.32 -0.22 -1.00 0.00 0.00 179.01 177.40 1x4n h LYS 84 N -0.62 0.02 -0.02 2.33 3.11 0.25 0.63 116.57 122.28 1x4n h LYS 84 Ca -0.03 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1x4n h LYS 84 Cb 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1x4n h LYS 84 CO 0.05 0.01 -0.04 0.78 -2.81 0.00 0.00 179.45 177.44 1x4n h GLY 85 N 0.02 0.06 -0.76 5.01 0.00 0.10 -2.59 103.07 104.91 1x4n h GLY 85 Ca 0.73 -0.07 0.13 0.00 0.00 0.00 0.00 47.33 48.12 1x4n h GLY 85 CO -0.83 0.06 -0.39 3.21 0.00 0.00 0.00 176.54 178.60 1x4n h ARG 86 N -0.51 -0.07 0.00 4.80 2.47 0.34 -3.41 114.38 118.00 1x4n h ARG 86 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1x4n h ARG 86 Cb 0.62 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1x4n h ARG 86 CO 0.01 -0.05 0.00 0.45 0.56 0.00 0.00 179.97 180.94 1x4n n SER 87 N -5.44 0.00 -1.42 7.04 2.88 -0.40 -5.08 113.62 111.20 1x4n n SER 87 Ca 0.07 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.80 1x4n n SER 87 Cb 0.37 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 1x4n n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4n n GLY 88 N 0.00 -2.06 3.60 0.46 0.00 -0.98 -4.55 105.19 101.66 1x4n n GLY 88 Ca 0.00 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.45 3.51 0.90 1.61 0.04 -1.26 -3.23 135.00 134.11 1x4n s PRO 89 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1x4n s PRO 89 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x4n s PRO 89 CO 0.00 -1.66 0.00 0.43 0.04 0.00 0.00 177.00 175.81 1x4n n SER 90 N 9.05 0.00 0.00 6.66 7.64 -1.26 -4.86 113.62 130.84 1x4n n SER 90 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x4n n SER 90 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1x4n n SER 90 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4n n SER 91 N 2.23 0.00 0.00 6.43 2.88 -1.26 -4.92 113.62 118.98 1x4n n SER 91 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x4n n SER 91 Cb 0.00 0.74 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42