#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 -0.05 -0.31 1.61 0.01 -1.26 -5.13 113.70 108.57 1x4n s SER 2 Ca 0.00 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 1x4n s SER 2 Cb 0.00 1.06 0.13 0.00 0.21 0.00 0.00 66.02 67.42 1x4n s SER 2 CO 0.00 -0.01 0.25 -0.94 0.41 0.00 0.00 173.24 172.95 1x4n s SER 3 N 2.13 2.27 -0.13 2.44 1.04 -1.26 -5.12 113.70 115.07 1x4n s SER 3 Ca -0.00 -1.18 -0.09 0.00 0.48 0.00 0.00 55.95 55.16 1x4n s SER 3 Cb -0.01 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1x4n s SER 3 CO -0.15 -0.38 0.33 -0.83 0.98 0.00 0.00 173.24 173.19 1x4n s GLY 4 N 2.02 -0.24 -0.28 7.32 0.00 -1.26 -5.15 107.32 109.72 1x4n s GLY 4 Ca 0.11 1.11 -0.30 0.00 0.00 0.00 0.00 44.72 45.64 1x4n s GLY 4 CO -0.26 1.15 1.36 -0.45 0.00 0.00 0.00 173.10 174.89 1x4n s SER 5 N 0.78 -0.04 0.14 1.64 0.15 -1.26 -5.19 113.70 109.93 1x4n s SER 5 Ca -0.05 0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 1x4n s SER 5 Cb -0.06 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.34 1x4n s SER 5 CO -0.05 -0.04 0.55 -0.55 1.20 0.00 0.00 173.24 174.34 1x4n s SER 6 N -1.08 -0.48 0.00 5.45 0.15 -1.26 -5.17 113.70 111.31 1x4n s SER 6 Ca 0.09 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x4n s SER 6 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1x4n s SER 6 CO -0.08 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1x4n n GLY 7 N -0.29 0.59 3.54 9.45 0.00 -1.26 -5.14 105.19 112.07 1x4n n GLY 7 Ca -0.17 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.83 2.31 -0.28 1.61 0.09 -1.26 -5.15 115.29 110.78 1x4n s HIS 8 Ca 0.00 -0.66 -0.16 0.00 -0.00 0.00 0.00 55.06 54.24 1x4n s HIS 8 Cb 0.00 -1.47 0.08 0.00 -0.00 0.00 0.00 32.58 31.20 1x4n s HIS 8 CO 0.00 0.40 0.71 -0.65 -0.00 0.00 0.00 174.74 175.20 1x4n s GLN 9 N -3.70 0.69 -0.16 1.40 -0.21 -1.26 -5.14 119.66 111.28 1x4n s GLN 9 Ca 0.33 1.20 -0.27 0.00 0.02 0.00 0.00 55.36 56.64 1x4n s GLN 9 Cb 0.06 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.20 1x4n s GLN 9 CO 0.16 -0.15 0.92 -1.14 -2.12 0.00 0.00 175.29 172.97 1x4n s GLN 10 N 1.61 4.32 -0.25 2.91 2.00 -1.26 -5.01 119.66 123.99 1x4n s GLN 10 Ca -0.10 1.19 -0.03 0.00 -2.00 0.00 0.00 55.36 54.42 1x4n s GLN 10 Cb -0.05 -3.58 0.10 0.00 0.80 0.00 0.00 33.01 30.28 1x4n s GLN 10 CO -0.20 -0.39 0.20 -1.14 -0.50 0.00 0.00 175.29 173.27 1x4n s GLN 11 N 2.33 0.21 -0.24 1.67 0.74 -1.26 -4.87 119.66 118.25 1x4n s GLN 11 Ca 0.42 -0.14 -0.37 0.00 0.05 0.00 0.00 55.36 55.32 1x4n s GLN 11 Cb -0.17 -1.12 0.15 0.00 1.10 0.00 0.00 33.01 32.98 1x4n s GLN 11 CO 0.13 -0.87 1.39 -0.98 -0.55 0.00 0.00 175.29 174.41 1x4n s ARG 12 N 2.25 0.04 0.29 1.67 1.70 -1.26 -5.14 118.95 118.49 1x4n s ARG 12 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1x4n s ARG 12 Cb -0.15 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1x4n s ARG 12 CO -0.25 -0.02 0.00 0.45 -1.08 0.00 0.00 175.30 174.40 1x4n n SER 13 N -0.14 -3.78 -4.04 -2.89 2.88 -1.26 -4.72 113.62 99.67 1x4n n SER 13 Ca 0.01 0.77 -0.16 0.00 -1.33 0.00 0.00 58.87 58.16 1x4n n SER 13 Cb 0.58 -2.11 -0.13 0.00 -0.75 0.00 0.00 64.21 61.80 1x4n n SER 13 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x4n s VAL 14 N -4.07 0.64 0.08 2.46 1.01 -1.26 -3.43 120.40 115.83 1x4n s VAL 14 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1x4n s VAL 14 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1x4n s VAL 14 CO 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 175.10 175.03 1x4n s MET 15 N -0.93 0.75 -0.15 2.72 0.23 -0.28 -4.87 119.30 116.77 1x4n s MET 15 Ca -0.03 -1.27 0.00 0.00 -1.03 0.00 0.00 55.69 53.36 1x4n s MET 15 Cb -0.07 0.24 -0.00 0.00 -1.53 0.00 0.00 34.83 33.47 1x4n s MET 15 CO 0.00 -0.18 -0.15 0.99 -2.03 0.00 0.00 175.02 173.65 1x4n s THR 16 N -3.96 2.70 0.37 3.16 2.01 -1.26 -2.72 115.64 115.94 1x4n s THR 16 Ca 0.13 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.43 1x4n s THR 16 Cb 0.07 -2.14 -0.07 0.00 0.01 0.00 0.00 72.50 70.37 1x4n s THR 16 CO -0.06 0.51 0.01 -0.70 -0.69 0.00 0.00 174.62 173.70 1x4n s GLU 17 N 0.80 1.84 -0.33 4.92 2.12 -1.12 -5.00 118.70 121.93 1x4n s GLU 17 Ca -0.05 -2.02 0.03 0.00 0.36 0.00 0.00 54.97 53.28 1x4n s GLU 17 Cb -0.15 -1.39 0.10 0.00 0.26 0.00 0.00 34.13 32.95 1x4n s GLU 17 CO 0.00 -0.07 0.04 -2.00 -0.54 0.00 0.00 175.26 172.69 1x4n s GLU 18 N -3.76 1.40 -0.30 4.30 2.12 -1.26 -3.08 118.70 118.11 1x4n s GLU 18 Ca 0.35 -1.67 -0.06 0.00 0.36 0.00 0.00 54.97 53.95 1x4n s GLU 18 Cb 0.09 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.55 1x4n s GLU 18 CO 0.17 -0.91 0.07 -0.47 -0.54 0.00 0.00 175.26 173.57 1x4n s TYR 19 N 1.06 3.18 0.19 5.30 5.04 -0.78 -4.97 117.35 126.37 1x4n s TYR 19 Ca 0.09 -1.25 -0.17 0.00 -2.44 0.00 0.00 57.07 53.30 1x4n s TYR 19 Cb -0.19 -2.23 -0.08 0.00 0.35 0.00 0.00 41.96 39.82 1x4n s TYR 19 CO -0.11 -0.66 0.64 0.15 -1.34 0.00 0.00 175.55 174.23 1x4n s LYS 20 N 1.43 4.12 0.09 4.97 1.02 -1.26 -1.30 119.74 128.80 1x4n s LYS 20 Ca 0.00 0.69 0.01 0.00 0.02 0.00 0.00 55.97 56.69 1x4n s LYS 20 Cb -0.18 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1x4n s LYS 20 CO 0.02 0.43 -0.06 0.14 -0.92 0.00 0.00 175.35 174.96 1x4n s VAL 21 N -1.50 0.57 -0.27 3.17 -7.23 -0.41 -4.91 120.40 109.83 1x4n s VAL 21 Ca 0.40 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 1x4n s VAL 21 Cb -0.16 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 1x4n s VAL 21 CO 0.20 -0.89 1.33 -2.16 -0.31 0.00 0.00 175.10 173.27 1x4n s PRO 22 N -3.80 3.96 0.57 4.82 0.04 -1.26 0.14 135.00 139.46 1x4n s PRO 22 Ca 0.10 1.37 0.29 0.00 0.04 0.00 0.00 61.00 62.80 1x4n s PRO 22 Cb 0.06 -3.88 1.46 0.00 0.04 0.00 0.00 34.50 32.18 1x4n s PRO 22 CO -0.06 -1.07 1.88 0.22 0.04 0.00 0.00 177.00 178.02 1x4n h ASP 23 N 9.26 0.00 0.38 6.66 3.58 -1.89 1.54 116.42 135.94 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 1.02 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 1x4n n GLY 24 N -1.57 -0.87 0.00 -0.78 0.00 -1.26 -3.23 105.19 97.47 1x4n n GLY 24 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.43 0.68 -0.28 1.61 2.81 0.49 -4.74 117.12 116.27 1x4n n MET 25 Ca 0.04 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.96 1x4n n MET 25 Cb 0.14 -0.96 0.11 0.00 -0.71 0.00 0.00 33.22 31.79 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 -1.14 2.03 3.04 -0.54 1.68 116.25 121.52 1x4n h VAL 26 Ca 0.00 -0.00 0.33 0.00 -1.01 0.00 0.00 66.70 66.02 1x4n h VAL 26 Cb 0.93 0.20 -0.05 0.00 -2.01 0.00 0.00 31.29 30.35 1x4n h VAL 26 CO 0.00 0.00 0.81 1.23 -1.01 0.00 0.00 177.57 178.60 1x4n h GLY 27 N 0.01 0.14 0.57 3.17 0.00 -1.81 0.88 103.07 106.02 1x4n h GLY 27 Ca 0.39 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1x4n h GLY 27 CO -0.81 -0.02 -1.53 0.33 0.00 0.00 0.00 176.54 174.51 1x4n n PHE 28 N -4.24 0.56 -0.21 5.60 7.35 0.53 -4.13 117.46 122.92 1x4n n PHE 28 Ca 0.25 0.17 -0.08 0.00 -0.76 0.00 0.00 57.45 57.03 1x4n n PHE 28 Cb 1.18 -0.83 0.03 0.00 0.35 0.00 0.00 39.48 40.21 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 1.26 0.55 -2.13 2.04 0.49 -3.14 117.51 116.57 1x4n h ILE 29 Ca -0.07 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1x4n h ILE 29 Cb 1.20 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1x4n h ILE 29 CO 0.01 0.35 -0.41 0.40 0.00 0.00 0.00 178.15 178.50 1x4n h ILE 30 N 0.89 0.00 0.00 -0.67 5.03 -1.38 -1.84 117.51 119.54 1x4n h ILE 30 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 1x4n h ILE 30 Cb 0.39 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.18 1x4n h ILE 30 CO 0.01 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.09 1x4n n GLY 31 N -1.49 -0.80 3.58 5.37 0.00 -1.19 -0.20 105.19 110.45 1x4n n GLY 31 Ca -0.11 -1.70 -0.52 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.84 1.41 -2.22 1.61 0.63 -1.26 0.51 116.66 116.49 1x4n n ARG 32 Ca 0.00 0.46 -0.17 0.00 -0.92 0.00 0.00 57.85 57.22 1x4n n ARG 32 Cb 0.00 -2.45 -0.02 0.00 0.45 0.00 0.00 32.46 30.44 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x4n n GLY 33 N 5.39 -0.04 3.05 5.14 0.00 -1.26 -1.15 105.19 116.32 1x4n n GLY 33 Ca 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.80 -0.20 0.10 -0.02 0.00 0.18 -4.93 105.19 99.52 1x4n n GLY 34 Ca -0.20 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.82 0.68 -0.23 1.61 2.13 -0.30 -2.87 120.64 117.85 1x4n n GLU 35 Ca -0.07 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.06 1x4n n GLU 35 Cb 0.57 -1.75 0.28 0.00 0.27 0.00 0.00 31.44 30.82 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 0.03 0.90 0.16 5.31 5.75 -0.76 -1.94 115.11 124.55 1x4n h GLN 36 Ca -0.35 -0.05 -0.22 0.00 -0.15 0.00 0.00 58.65 57.87 1x4n h GLN 36 Cb 2.03 -0.20 0.03 0.00 1.07 0.00 0.00 27.48 30.40 1x4n h GLN 36 CO 0.08 0.59 -0.97 0.97 -2.65 0.00 0.00 178.83 176.85 1x4n h ILE 37 N 0.92 1.45 -0.86 2.39 6.09 -0.35 -3.27 117.51 123.88 1x4n h ILE 37 Ca 0.32 -2.55 0.22 0.00 -1.37 0.00 0.00 64.86 61.48 1x4n h ILE 37 Cb 0.11 3.12 -0.15 0.00 0.47 0.00 0.00 36.82 40.37 1x4n h ILE 37 CO -0.10 0.73 0.05 -1.28 -3.07 0.00 0.00 178.15 174.49 1x4n h SER 38 N -0.22 -0.34 -0.55 2.19 0.87 -1.27 1.54 113.55 115.77 1x4n h SER 38 Ca -0.17 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1x4n h SER 38 Cb 1.76 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 64.07 1x4n h SER 38 CO 0.18 -0.23 0.33 -0.09 -0.53 0.00 0.00 176.83 176.48 1x4n h ARG 39 N 0.09 0.77 -0.10 2.24 2.43 -1.45 0.48 114.38 118.84 1x4n h ARG 39 Ca 0.50 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1x4n h ARG 39 Cb 0.96 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1x4n h ARG 39 CO -0.76 0.56 -0.75 0.82 -1.51 0.00 0.00 179.97 178.33 1x4n h ILE 40 N 0.78 1.35 -0.18 1.20 2.04 0.17 0.87 117.51 123.74 1x4n h ILE 40 Ca 0.20 -2.09 -0.14 0.00 1.00 0.00 0.00 64.86 63.83 1x4n h ILE 40 Cb -0.00 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1x4n h ILE 40 CO -0.04 0.64 -0.50 1.56 0.00 0.00 0.00 178.15 179.82 1x4n h GLN 41 N 0.36 0.48 0.16 2.37 4.20 0.15 -2.39 115.11 120.43 1x4n h GLN 41 Ca -0.04 -0.28 -0.32 0.00 0.06 0.00 0.00 58.65 58.08 1x4n h GLN 41 Cb 1.34 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1x4n h GLN 41 CO 0.14 0.87 -1.56 1.96 -0.67 0.00 0.00 178.83 179.56 1x4n h GLN 42 N 0.38 0.33 0.30 1.46 4.20 -0.00 0.32 115.11 122.09 1x4n h GLN 42 Ca 0.02 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1x4n h GLN 42 Cb 1.01 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1x4n h GLN 42 CO 0.09 1.22 -0.35 0.93 -0.67 0.00 0.00 178.83 180.05 1x4n h GLU 43 N 0.09 -0.67 0.00 1.46 4.39 0.80 -2.77 114.58 117.88 1x4n h GLU 43 Ca -0.26 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1x4n h GLU 43 Cb 2.06 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.86 1x4n h GLU 43 CO 0.19 -0.45 -0.71 0.66 -1.16 0.00 0.00 179.01 177.53 1x4n h SER 44 N -0.70 0.00 -0.94 1.42 4.64 -1.58 -3.48 113.55 112.92 1x4n h SER 44 Ca -0.01 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 1x4n h SER 44 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1x4n h SER 44 CO -0.10 0.02 -0.20 0.61 -0.87 0.00 0.00 176.83 176.29 1x4n n GLY 45 N 1.19 0.40 3.70 -0.77 0.00 0.99 -4.65 105.19 106.05 1x4n n GLY 45 Ca 0.01 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.08 4.14 -0.24 0.00 2.20 -0.65 -4.38 119.74 117.73 1x4n s LYS 47 Ca 0.29 0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1x4n s LYS 47 Cb -0.09 -2.88 0.08 0.00 -1.51 0.00 0.00 37.83 33.42 1x4n s LYS 47 CO 0.20 0.42 0.08 0.42 -0.36 0.00 0.00 175.35 176.10 1x4n s ILE 48 N -1.52 0.38 -0.50 5.43 1.01 -1.26 -2.40 121.20 122.34 1x4n s ILE 48 Ca 0.41 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1x4n s ILE 48 Cb -0.16 -1.10 0.12 0.00 0.01 0.00 0.00 42.46 41.34 1x4n s ILE 48 CO 0.20 -0.44 0.41 -1.10 0.00 0.00 0.00 174.94 174.01 1x4n s GLN 49 N 1.90 2.69 -0.19 2.79 -0.21 0.86 -4.96 119.66 122.53 1x4n s GLN 49 Ca 0.04 -1.75 -0.13 0.00 0.02 0.00 0.00 55.36 53.54 1x4n s GLN 49 Cb -0.17 -4.08 -0.05 0.00 1.00 0.00 0.00 33.01 29.72 1x4n s GLN 49 CO -0.18 -1.25 0.27 0.42 -2.12 0.00 0.00 175.29 172.42 1x4n s ILE 50 N 1.44 5.31 0.79 1.08 1.01 -1.26 -1.34 121.20 128.22 1x4n s ILE 50 Ca 0.05 0.46 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1x4n s ILE 50 Cb -0.28 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1x4n s ILE 50 CO 0.01 0.35 1.09 0.00 0.00 0.00 0.00 174.94 176.39 1x4n s ALA 51 N 0.78 2.16 0.05 9.38 0.00 -1.25 -4.97 121.76 127.91 1x4n s ALA 51 Ca 0.14 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1x4n s ALA 51 Cb -0.13 -3.26 -0.21 0.00 0.00 0.00 0.00 23.12 19.52 1x4n s ALA 51 CO 0.04 -1.84 1.19 -1.00 0.00 0.00 0.00 175.76 174.14 1x4n h PRO 52 N -1.18 0.59 -6.12 0.00 0.13 -1.97 -3.46 132.00 119.99 1x4n h PRO 52 Ca -0.44 -0.57 -0.55 0.00 -0.87 0.00 0.00 66.00 63.56 1x4n h PRO 52 Cb 1.24 0.15 -0.20 0.00 0.13 0.00 0.00 31.00 32.32 1x4n h PRO 52 CO 0.52 1.19 -0.81 0.34 -0.23 0.00 0.00 178.00 179.01 1x4n s ASP 53 N -6.96 2.68 -0.19 1.44 2.15 -1.26 -5.03 116.67 109.50 1x4n s ASP 53 Ca -0.12 -0.78 0.15 0.00 0.43 0.00 0.00 52.55 52.23 1x4n s ASP 53 Cb 0.06 -0.16 0.41 0.00 -0.30 0.00 0.00 42.92 42.93 1x4n s ASP 53 CO 0.87 0.02 1.28 -1.54 -0.17 0.00 0.00 175.17 175.63 1x4n n SER 54 N 0.68 2.50 -0.15 -0.34 3.41 -1.26 -4.92 113.62 113.54 1x4n n SER 54 Ca -0.16 -3.42 -0.02 0.00 -0.26 0.00 0.00 58.87 55.01 1x4n n SER 54 Cb 0.55 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1x4n n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 55 N -1.12 0.26 0.74 5.00 0.00 -1.26 -0.54 105.19 108.27 1x4n n GLY 55 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.21 0.79 3.78 -0.02 0.00 -1.26 -5.07 105.19 103.63 1x4n n GLY 56 Ca -0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 3.41 0.00 0.99 2.01 0.30 -4.92 118.68 120.47 1x4n s LEU 57 Ca 0.00 1.91 0.22 0.00 0.01 0.00 0.00 54.13 56.27 1x4n s LEU 57 Cb 0.00 -4.54 0.98 0.00 0.01 0.00 0.00 46.19 42.64 1x4n s LEU 57 CO 0.00 -1.46 1.71 -0.81 1.01 0.00 0.00 176.35 176.80 1x4n n PRO 58 N -2.34 0.08 -3.80 1.29 -0.04 -1.26 -4.67 135.00 124.26 1x4n n PRO 58 Ca 0.10 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1x4n n PRO 58 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 1x4n n PRO 58 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x4n s GLU 59 N -2.89 -0.00 -0.11 0.54 8.01 -1.26 -3.63 118.70 119.37 1x4n s GLU 59 Ca 0.13 0.14 -0.23 0.00 0.01 0.00 0.00 54.97 55.02 1x4n s GLU 59 Cb 0.14 -0.14 -0.03 0.00 -4.31 0.00 0.00 34.13 29.79 1x4n s GLU 59 CO 0.38 -0.10 0.71 0.50 0.01 0.00 0.00 175.26 176.76 1x4n s ARG 60 N 0.67 4.38 -0.41 1.61 6.06 0.37 -4.75 118.95 126.87 1x4n s ARG 60 Ca -0.05 0.86 -0.29 0.00 -2.50 0.00 0.00 55.73 53.74 1x4n s ARG 60 Cb -0.08 -3.49 0.02 0.00 0.06 0.00 0.00 34.95 31.46 1x4n s ARG 60 CO -0.02 -0.05 1.16 0.45 -2.50 0.00 0.00 175.30 174.34 1x4n s SER 61 N 0.92 6.69 -0.21 -2.12 0.15 -1.26 -1.29 113.70 116.59 1x4n s SER 61 Ca 0.36 0.73 -0.05 0.00 0.70 0.00 0.00 55.95 57.70 1x4n s SER 61 Cb -0.17 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1x4n s SER 61 CO 0.16 -1.15 -0.01 0.00 1.20 0.00 0.00 173.24 173.44 1x4n s MET 63 N 1.12 4.23 0.08 0.00 -1.94 -0.45 -1.86 119.30 120.48 1x4n s MET 63 Ca 0.02 0.25 0.04 0.00 -1.71 0.00 0.00 55.69 54.29 1x4n s MET 63 Cb -0.14 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 1x4n s MET 63 CO 0.01 0.06 0.03 -0.51 -0.01 0.00 0.00 175.02 174.61 1x4n s LEU 64 N 0.99 3.62 -0.09 -0.03 1.02 -1.18 -0.10 118.68 122.91 1x4n s LEU 64 Ca 0.21 -0.09 -0.04 0.00 0.02 0.00 0.00 54.13 54.23 1x4n s LEU 64 Cb -0.14 -2.31 0.05 0.00 0.02 0.00 0.00 46.19 43.80 1x4n s LEU 64 CO 0.08 0.18 0.18 -0.89 0.02 0.00 0.00 176.35 175.93 1x4n s THR 65 N -1.33 -0.17 -5.00 5.49 2.01 -1.01 -2.81 115.64 112.83 1x4n s THR 65 Ca 0.27 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1x4n s THR 65 Cb -0.12 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.08 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 0.27 3.64 4.40 0.00 -1.10 -1.64 105.19 115.48 1x4n n GLY 66 Ca -0.17 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.90 2.13 0.09 2.61 -4.23 -1.22 -1.12 115.64 110.99 1x4n s THR 67 Ca 0.00 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 1x4n s THR 67 Cb 0.00 -2.10 -0.20 0.00 1.34 0.00 0.00 72.50 71.54 1x4n s THR 67 CO 0.00 -0.05 1.23 1.55 -0.54 0.00 0.00 174.62 176.81 1x4n h PRO 68 N -1.98 0.74 0.00 3.99 0.13 -1.84 -1.92 132.00 131.11 1x4n h PRO 68 Ca -0.47 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 1x4n h PRO 68 Cb 1.28 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1x4n h PRO 68 CO 0.44 1.30 0.00 0.93 -0.23 0.00 0.00 178.00 180.44 1x4n h GLU 69 N 0.45 0.00 0.12 0.86 5.08 -1.92 -2.33 114.58 116.84 1x4n h GLU 69 Ca -0.10 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.91 1x4n h GLU 69 Cb 1.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1x4n h GLU 69 CO 0.19 0.00 -1.90 0.77 -1.00 0.00 0.00 179.01 177.07 1x4n h SER 70 N 0.00 0.41 -0.49 1.42 0.02 -1.79 -2.93 113.55 110.18 1x4n h SER 70 Ca 0.00 -0.83 0.02 0.00 -0.84 0.00 0.00 61.79 60.14 1x4n h SER 70 Cb 0.32 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1x4n h SER 70 CO 0.00 1.74 0.29 0.58 -1.14 0.00 0.00 176.83 178.30 1x4n h VAL 71 N 0.07 1.06 -0.05 2.27 2.07 -0.89 0.24 116.25 121.02 1x4n h VAL 71 Ca -0.39 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1x4n h VAL 71 Cb 2.04 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1x4n h VAL 71 CO 0.11 0.11 -0.01 1.56 0.02 0.00 0.00 177.57 179.35 1x4n h GLN 72 N 0.59 0.10 -0.31 1.57 4.20 -1.59 0.54 115.11 120.21 1x4n h GLN 72 Ca 0.20 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1x4n h GLN 72 Cb 0.01 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 1x4n h GLN 72 CO -0.09 0.44 -0.13 0.77 -0.67 0.00 0.00 178.83 179.15 1x4n h SER 73 N -0.25 -0.45 -0.69 1.46 0.02 -1.29 0.11 113.55 112.46 1x4n h SER 73 Ca 0.01 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1x4n h SER 73 Cb 0.41 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1x4n h SER 73 CO 0.01 -0.17 0.35 0.00 -1.14 0.00 0.00 176.83 175.88 1x4n h ALA 74 N 1.18 0.89 -0.34 3.77 0.00 -0.50 -2.50 119.26 121.75 1x4n h ALA 74 Ca 0.16 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1x4n h ALA 74 Cb 0.32 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1x4n h ALA 74 CO -0.36 0.44 -0.13 0.87 0.00 0.00 0.00 179.25 180.07 1x4n h LYS 75 N 0.96 -0.06 -0.77 0.00 1.57 0.66 0.37 116.57 119.30 1x4n h LYS 75 Ca 0.24 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1x4n h LYS 75 Cb 0.09 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1x4n h LYS 75 CO -0.03 -0.04 0.38 0.00 -0.57 0.00 0.00 179.45 179.18 1x4n h ARG 76 N -0.06 0.57 0.14 3.15 2.47 -0.44 0.31 114.38 120.51 1x4n h ARG 76 Ca 0.17 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1x4n h ARG 76 Cb 0.32 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1x4n h ARG 76 CO -0.38 0.38 -0.07 -0.07 0.56 0.00 0.00 179.97 180.39 1x4n h LEU 77 N 0.59 -0.16 0.07 3.04 3.38 -0.60 0.40 115.31 122.03 1x4n h LEU 77 Ca 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1x4n h LEU 77 Cb 0.50 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1x4n h LEU 77 CO -0.32 0.04 -0.10 -0.07 0.09 0.00 0.00 178.44 178.08 1x4n h LEU 78 N -0.35 -0.29 -0.91 1.67 3.38 0.66 -2.03 115.31 117.45 1x4n h LEU 78 Ca -0.02 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1x4n h LEU 78 Cb 0.28 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.97 1x4n h LEU 78 CO 0.03 -0.12 0.03 -0.78 0.09 0.00 0.00 178.44 177.69 1x4n h ASP 79 N -0.18 -0.41 -0.63 -0.43 1.82 -0.48 0.11 116.42 116.21 1x4n h ASP 79 Ca -0.01 0.25 0.06 0.00 -0.39 0.00 0.00 57.03 56.94 1x4n h ASP 79 Cb 0.16 0.43 -0.09 0.00 0.68 0.00 0.00 39.33 40.51 1x4n h ASP 79 CO -0.03 -0.28 -0.50 1.56 -1.61 0.00 0.00 179.24 178.38 1x4n h GLN 80 N 0.06 -0.15 -0.86 0.28 1.08 -0.23 0.16 115.11 115.44 1x4n h GLN 80 Ca 0.53 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.83 1x4n h GLN 80 Cb 1.03 0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 28.38 1x4n h GLN 80 CO -0.82 -0.10 -0.54 0.82 -0.95 0.00 0.00 178.83 177.24 1x4n h ILE 81 N -0.16 0.01 -0.22 2.54 2.04 -0.16 1.48 117.51 123.04 1x4n h ILE 81 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1x4n h ILE 81 Cb 0.43 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1x4n h ILE 81 CO -0.68 0.00 -0.52 0.58 0.00 0.00 0.00 178.15 177.54 1x4n h VAL 82 N -0.09 0.03 0.00 1.67 2.07 -0.83 0.66 116.25 119.76 1x4n h VAL 82 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1x4n h VAL 82 Cb 0.48 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1x4n h VAL 82 CO -0.87 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 176.31 1x4n h GLU 83 N -0.51 -0.46 -0.44 1.57 4.81 0.19 0.31 114.58 120.04 1x4n h GLU 83 Ca 0.06 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 1x4n h GLU 83 Cb 0.65 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1x4n h GLU 83 CO -0.48 -0.31 0.44 0.87 -0.73 0.00 0.00 179.01 178.80 1x4n h LYS 84 N -0.48 0.00 -2.23 1.92 1.79 0.28 -1.91 116.57 115.93 1x4n h LYS 84 Ca 0.06 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.95 1x4n h LYS 84 Cb 0.57 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.80 1x4n h LYS 84 CO -0.27 0.00 -0.70 0.41 -1.08 0.00 0.00 179.45 177.81 1x4n n GLY 85 N -1.51 5.20 2.75 3.86 0.00 0.22 -4.94 105.19 110.76 1x4n n GLY 85 Ca 0.08 -2.65 -0.28 0.00 0.00 0.00 0.00 46.02 43.17 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 -3.13 1.96 0.11 1.61 1.81 -0.48 -4.75 118.95 116.08 1x4n s ARG 86 Ca 0.46 -2.93 -0.18 0.00 -1.72 0.00 0.00 55.73 51.35 1x4n s ARG 86 Cb 0.26 -2.80 0.04 0.00 -0.45 0.00 0.00 34.95 32.00 1x4n s ARG 86 CO -0.11 -1.31 0.46 -1.54 -0.68 0.00 0.00 175.30 172.12 1x4n s SER 87 N -0.94 -0.33 0.00 0.23 1.04 -1.26 -5.05 113.70 107.39 1x4n s SER 87 Ca 0.27 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1x4n s SER 87 Cb -0.03 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1x4n s SER 87 CO -0.17 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1x4n n GLY 88 N -0.07 -0.45 3.62 7.32 0.00 -1.26 -5.10 105.19 109.25 1x4n n GLY 88 Ca -0.17 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.80 0.35 1.61 0.04 -1.26 -4.57 135.00 134.96 1x4n s PRO 89 Ca 0.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1x4n s PRO 89 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1x4n s PRO 89 CO 0.00 -1.28 0.00 0.45 0.04 0.00 0.00 177.00 176.21 1x4n n SER 90 N 8.08 -2.76 -4.69 6.66 2.88 -1.26 -5.10 113.62 117.44 1x4n n SER 90 Ca 0.16 0.66 -0.42 0.00 -1.33 0.00 0.00 58.87 57.94 1x4n n SER 90 Cb 0.47 2.68 -0.03 0.00 -0.75 0.00 0.00 64.21 66.58 1x4n n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4n s SER 91 N -2.62 6.77 0.00 -3.46 0.01 -1.26 -5.33 113.70 107.81 1x4n s SER 91 Ca 0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 1x4n s SER 91 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x4n s SER 91 CO 0.00 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.49