#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 -0.90 -0.30 1.61 1.04 -1.26 -5.14 113.70 108.75 1x4n s SER 2 Ca 0.00 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 57.75 1x4n s SER 2 Cb 0.00 1.49 0.18 0.00 0.10 0.00 0.00 66.02 67.79 1x4n s SER 2 CO 0.00 -0.22 0.86 -0.55 0.98 0.00 0.00 173.24 174.31 1x4n s SER 3 N 1.78 -0.86 0.01 7.02 0.15 -1.26 -5.17 113.70 115.37 1x4n s SER 3 Ca -0.09 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1x4n s SER 3 Cb -0.06 1.71 -0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1x4n s SER 3 CO -0.19 -0.16 0.01 0.61 1.20 0.00 0.00 173.24 174.70 1x4n n GLY 4 N 5.45 4.04 3.21 9.45 0.00 -1.26 -5.16 105.19 120.92 1x4n n GLY 4 Ca -0.04 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1x4n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4n s SER 5 N -1.05 -0.32 0.04 1.61 1.04 -1.26 -5.18 113.70 108.58 1x4n s SER 5 Ca 0.01 0.31 -0.28 0.00 0.48 0.00 0.00 55.95 56.47 1x4n s SER 5 Cb 0.00 1.32 0.09 0.00 0.10 0.00 0.00 66.02 67.53 1x4n s SER 5 CO 0.01 -0.06 1.05 -0.94 0.98 0.00 0.00 173.24 174.27 1x4n s SER 6 N 2.59 -0.18 0.00 7.02 1.04 -1.26 -5.15 113.70 117.76 1x4n s SER 6 Ca -0.02 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1x4n s SER 6 Cb -0.06 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1x4n s SER 6 CO -0.13 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1x4n n GLY 7 N -0.39 -0.11 3.58 7.32 0.00 -1.26 -5.18 105.19 109.14 1x4n n GLY 7 Ca -0.07 0.73 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -0.33 0.93 1.61 0.00 -1.26 -5.17 115.29 111.06 1x4n s HIS 8 Ca 0.00 0.53 -0.12 0.00 -3.00 0.00 0.00 55.06 52.47 1x4n s HIS 8 Cb 0.00 0.46 0.15 0.00 -4.00 0.00 0.00 32.58 29.19 1x4n s HIS 8 CO 0.00 -0.33 1.10 1.14 -1.00 0.00 0.00 174.74 175.65 1x4n s GLN 9 N -1.34 1.01 0.14 -0.38 -2.07 -1.26 -5.07 119.66 110.69 1x4n s GLN 9 Ca 0.00 0.57 -0.25 0.00 -1.82 0.00 0.00 55.36 53.86 1x4n s GLN 9 Cb -0.01 -1.80 0.07 0.00 -1.09 0.00 0.00 33.01 30.18 1x4n s GLN 9 CO -0.00 -2.35 0.89 -0.65 -1.32 0.00 0.00 175.29 171.86 1x4n s GLN 10 N -5.04 1.20 0.44 9.60 -0.21 -1.26 -5.15 119.66 119.25 1x4n s GLN 10 Ca 0.64 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1x4n s GLN 10 Cb -0.17 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1x4n s GLN 10 CO 0.56 -0.55 0.00 0.94 -2.12 0.00 0.00 175.29 174.12 1x4n n GLN 11 N -0.42 -3.37 0.03 2.91 7.27 -1.26 -5.06 117.38 117.49 1x4n n GLN 11 Ca -0.07 2.57 0.00 0.00 0.07 0.00 0.00 57.00 59.57 1x4n n GLN 11 Cb 0.61 -3.06 0.00 0.00 2.41 0.00 0.00 30.24 30.20 1x4n n GLN 11 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1x4n n ARG 12 N -1.72 0.00 -3.62 3.69 3.00 -1.26 -5.16 116.66 111.59 1x4n n ARG 12 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1x4n n ARG 12 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.65 1x4n n ARG 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1x4n s SER 13 N -2.00 -0.41 0.14 6.15 0.01 -1.26 -5.17 113.70 111.15 1x4n s SER 13 Ca 0.00 -0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.08 1x4n s SER 13 Cb 0.00 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1x4n s SER 13 CO 0.00 -1.11 -0.13 -0.69 0.41 0.00 0.00 173.24 171.72 1x4n s VAL 14 N -3.77 3.10 0.11 3.43 1.01 -1.26 -4.62 120.40 118.39 1x4n s VAL 14 Ca 0.06 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.54 1x4n s VAL 14 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1x4n s VAL 14 CO -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 175.10 175.06 1x4n s MET 15 N -2.42 0.85 0.05 2.72 0.23 -1.09 -4.93 119.30 114.72 1x4n s MET 15 Ca 0.21 -1.37 0.08 0.00 -1.03 0.00 0.00 55.69 53.59 1x4n s MET 15 Cb -0.10 -0.03 -0.03 0.00 -1.53 0.00 0.00 34.83 33.14 1x4n s MET 15 CO 0.13 -0.11 -0.22 0.99 -2.03 0.00 0.00 175.02 173.78 1x4n s THR 16 N -3.79 2.50 0.17 3.16 2.01 -1.26 -2.26 115.64 116.18 1x4n s THR 16 Ca 0.15 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1x4n s THR 16 Cb 0.07 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1x4n s THR 16 CO -0.03 0.31 0.01 -1.61 -0.69 0.00 0.00 174.62 172.61 1x4n s GLU 17 N -1.45 1.12 -0.25 4.92 2.02 -0.97 -5.00 118.70 119.09 1x4n s GLU 17 Ca 0.14 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 53.60 1x4n s GLU 17 Cb -0.10 -0.26 0.05 0.00 0.10 0.00 0.00 34.13 33.91 1x4n s GLU 17 CO 0.04 -0.14 -0.10 -2.00 0.02 0.00 0.00 175.26 173.08 1x4n s GLU 18 N -3.92 2.51 -0.14 1.61 2.12 -1.26 -2.80 118.70 116.83 1x4n s GLU 18 Ca 0.24 -1.18 0.01 0.00 0.36 0.00 0.00 54.97 54.41 1x4n s GLU 18 Cb 0.06 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.58 1x4n s GLU 18 CO 0.04 -0.48 -0.16 -0.47 -0.54 0.00 0.00 175.26 173.65 1x4n s TYR 19 N 1.20 2.21 -0.02 5.30 5.04 -1.17 -4.99 117.35 124.92 1x4n s TYR 19 Ca -0.04 -1.17 -0.12 0.00 -2.44 0.00 0.00 57.07 53.29 1x4n s TYR 19 Cb -0.18 -1.59 -0.05 0.00 0.35 0.00 0.00 41.96 40.48 1x4n s TYR 19 CO -0.06 -0.61 0.34 0.15 -1.34 0.00 0.00 175.55 174.03 1x4n s LYS 20 N 1.23 3.78 0.16 4.97 1.02 -1.26 -0.23 119.74 129.41 1x4n s LYS 20 Ca -0.00 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.28 1x4n s LYS 20 Cb -0.14 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1x4n s LYS 20 CO -0.07 0.70 -0.11 0.14 -0.92 0.00 0.00 175.35 175.09 1x4n s VAL 21 N -1.12 1.30 -0.11 3.17 -7.23 0.97 -4.89 120.40 112.49 1x4n s VAL 21 Ca 0.23 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1x4n s VAL 21 Cb -0.15 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1x4n s VAL 21 CO 0.12 -0.69 1.25 -2.16 -0.31 0.00 0.00 175.10 173.31 1x4n s PRO 22 N -3.73 4.28 0.55 4.82 0.04 -1.26 0.19 135.00 139.88 1x4n s PRO 22 Ca 0.19 1.69 0.32 0.00 0.04 0.00 0.00 61.00 63.23 1x4n s PRO 22 Cb 0.02 -3.68 1.72 0.00 0.04 0.00 0.00 34.50 32.60 1x4n s PRO 22 CO 0.02 -0.60 1.96 0.22 0.04 0.00 0.00 177.00 178.64 1x4n h ASP 23 N 7.92 0.00 -0.12 6.66 3.58 -1.89 0.72 116.42 133.29 1x4n h ASP 23 Ca -0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1x4n h ASP 23 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1x4n h ASP 23 CO 0.93 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.90 1x4n n GLY 24 N -1.19 -0.36 0.78 -0.78 0.00 -1.26 -3.95 105.19 98.43 1x4n n GLY 24 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.15 0.00 -0.31 1.61 2.81 0.23 -4.84 117.12 116.47 1x4n n MET 25 Ca 0.09 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.96 1x4n n MET 25 Cb 0.14 -0.39 0.04 0.00 -0.71 0.00 0.00 33.22 32.30 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 0.07 -1.19 2.03 3.04 -1.01 1.64 116.25 120.84 1x4n h VAL 26 Ca 0.00 0.00 0.34 0.00 -1.01 0.00 0.00 66.70 66.03 1x4n h VAL 26 Cb 0.22 0.07 -0.10 0.00 -2.01 0.00 0.00 31.29 29.47 1x4n h VAL 26 CO 0.00 0.00 0.78 1.23 -1.01 0.00 0.00 177.57 178.57 1x4n h GLY 27 N -0.06 0.99 1.24 3.17 0.00 -1.83 0.99 103.07 107.58 1x4n h GLY 27 Ca 0.32 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 1x4n h GLY 27 CO -0.87 -0.19 -1.24 -2.75 0.00 0.00 0.00 176.54 171.48 1x4n h PHE 28 N 0.22 0.00 0.00 5.60 3.57 0.18 -3.30 116.94 123.20 1x4n h PHE 28 Ca 0.67 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.14 1x4n h PHE 28 Cb 2.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.79 1x4n h PHE 28 CO -0.00 0.63 -0.14 0.82 -2.23 0.00 0.00 178.31 177.39 1x4n h ILE 29 N 0.00 0.93 0.76 1.41 2.04 0.60 -2.92 117.51 120.33 1x4n h ILE 29 Ca -0.14 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1x4n h ILE 29 Cb 1.60 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1x4n h ILE 29 CO 0.06 0.13 -0.37 0.40 0.00 0.00 0.00 178.15 178.38 1x4n h ILE 30 N 0.00 0.00 0.00 -0.67 2.04 -1.29 -1.41 117.51 116.18 1x4n h ILE 30 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1x4n h ILE 30 Cb 0.27 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 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 -1.39 2.11 0.27 5.37 0.00 -1.10 -1.05 105.19 109.40 1x4n n GLY 31 Ca -0.13 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 43.85 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 0.13 -0.60 1.61 -0.00 -1.94 -2.55 114.38 111.03 1x4n h ARG 32 Ca 0.00 -0.01 -0.41 0.00 -0.50 0.00 0.00 59.98 59.06 1x4n h ARG 32 Cb 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 29.97 29.53 1x4n h ARG 32 CO 0.00 0.08 -0.96 0.41 0.00 0.00 0.00 179.97 179.51 1x4n n GLY 33 N -1.40 4.31 2.45 0.04 0.00 -1.26 -4.93 105.19 104.40 1x4n n GLY 33 Ca 0.13 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.66 0.49 0.09 -0.02 0.00 -0.96 -4.83 105.19 99.30 1x4n n GLY 34 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 1x4n n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x4n n GLU 35 N -2.70 0.63 -0.22 1.61 0.28 -1.04 -3.58 120.64 115.64 1x4n n GLU 35 Ca -0.22 0.21 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1x4n n GLU 35 Cb 0.66 -1.76 0.09 0.00 1.43 0.00 0.00 31.44 31.87 1x4n n GLU 35 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1x4n h GLN 36 N 0.00 0.58 -0.03 3.44 5.75 -1.30 -0.49 115.11 123.06 1x4n h GLN 36 Ca -0.25 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1x4n h GLN 36 Cb 1.82 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.24 1x4n h GLN 36 CO 0.06 0.38 -0.03 0.97 -2.65 0.00 0.00 178.83 177.56 1x4n h ILE 37 N 0.60 1.37 -0.83 2.39 6.09 -0.22 -3.12 117.51 123.79 1x4n h ILE 37 Ca 0.29 -1.15 0.20 0.00 -1.37 0.00 0.00 64.86 62.84 1x4n h ILE 37 Cb 0.23 2.07 -0.14 0.00 0.47 0.00 0.00 36.82 39.44 1x4n h ILE 37 CO -0.20 0.31 0.08 -1.28 -3.07 0.00 0.00 178.15 173.98 1x4n h SER 38 N -0.37 -0.27 -0.68 2.19 0.87 -1.49 1.45 113.55 115.24 1x4n h SER 38 Ca 0.01 0.21 0.14 0.00 -1.23 0.00 0.00 61.79 60.92 1x4n h SER 38 Cb 0.51 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 62.77 1x4n h SER 38 CO 0.01 -0.20 0.46 -0.09 -0.53 0.00 0.00 176.83 176.48 1x4n h ARG 39 N 0.12 0.32 0.03 2.24 2.43 -1.04 0.69 114.38 119.17 1x4n h ARG 39 Ca 0.48 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.40 1x4n h ARG 39 Cb 0.91 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1x4n h ARG 39 CO -0.70 0.21 -0.99 0.82 -1.51 0.00 0.00 179.97 177.80 1x4n h ILE 40 N 0.33 1.44 -0.15 1.20 2.04 0.19 0.13 117.51 122.69 1x4n h ILE 40 Ca 0.33 -2.60 -0.15 0.00 1.00 0.00 0.00 64.86 63.44 1x4n h ILE 40 Cb 0.83 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1x4n h ILE 40 CO -0.09 0.77 -0.55 1.56 0.00 0.00 0.00 178.15 179.84 1x4n h GLN 41 N 0.18 0.45 0.00 2.37 4.20 0.17 -0.42 115.11 122.06 1x4n h GLN 41 Ca -0.08 -0.29 -0.19 0.00 0.06 0.00 0.00 58.65 58.14 1x4n h GLN 41 Cb 1.64 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.43 1x4n h GLN 41 CO 0.17 0.89 -1.03 1.96 -0.67 0.00 0.00 178.83 180.14 1x4n h GLN 42 N 0.35 0.00 -0.08 1.46 1.08 0.20 0.48 115.11 118.60 1x4n h GLN 42 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1x4n h GLN 42 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1x4n h GLN 42 CO 0.10 0.74 -0.26 0.93 -0.95 0.00 0.00 178.83 179.40 1x4n h GLU 43 N 0.00 0.32 -0.02 1.46 4.39 -0.61 -3.21 114.58 116.92 1x4n h GLU 43 Ca -0.06 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1x4n h GLU 43 Cb 1.70 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1x4n h GLU 43 CO 0.10 0.85 -0.27 -1.13 -1.16 0.00 0.00 179.01 177.40 1x4n n SER 44 N -4.48 1.79 -3.57 1.42 3.41 -0.18 -4.94 113.62 107.07 1x4n n SER 44 Ca -0.08 -1.39 -0.26 0.00 -0.26 0.00 0.00 58.87 56.88 1x4n n SER 44 Cb 0.46 0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 1.35 -0.48 3.40 5.00 0.00 0.16 -4.60 105.19 110.03 1x4n n GLY 45 Ca 0.12 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.15 4.28 -0.28 0.00 2.20 -0.28 -4.43 119.74 118.08 1x4n s LYS 47 Ca 0.23 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.66 1x4n s LYS 47 Cb -0.05 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1x4n s LYS 47 CO 0.10 0.54 0.09 0.42 -0.36 0.00 0.00 175.35 176.14 1x4n s ILE 48 N -1.28 0.57 -0.50 5.43 1.01 -1.26 -2.31 121.20 122.86 1x4n s ILE 48 Ca 0.36 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1x4n s ILE 48 Cb -0.19 -1.35 0.11 0.00 0.01 0.00 0.00 42.46 41.04 1x4n s ILE 48 CO 0.21 -0.57 0.43 -1.10 0.00 0.00 0.00 174.94 173.91 1x4n s GLN 49 N 1.79 2.87 -0.23 2.79 -0.21 0.03 -4.95 119.66 121.74 1x4n s GLN 49 Ca 0.07 -1.61 -0.12 0.00 0.02 0.00 0.00 55.36 53.72 1x4n s GLN 49 Cb -0.17 -4.16 -0.05 0.00 1.00 0.00 0.00 33.01 29.64 1x4n s GLN 49 CO -0.24 -1.20 0.21 0.42 -2.12 0.00 0.00 175.29 172.36 1x4n s ILE 50 N 1.56 5.32 0.74 1.08 1.01 -1.26 -0.98 121.20 128.67 1x4n s ILE 50 Ca 0.04 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1x4n s ILE 50 Cb -0.27 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1x4n s ILE 50 CO 0.03 0.32 1.14 0.00 0.00 0.00 0.00 174.94 176.43 1x4n s ALA 51 N 1.15 2.18 -0.02 9.38 0.00 -1.24 -5.00 121.76 128.21 1x4n s ALA 51 Ca 0.10 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x4n s ALA 51 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1x4n s ALA 51 CO 0.05 -1.77 0.30 -1.00 0.00 0.00 0.00 175.76 173.34 1x4n h PRO 52 N -0.59 -0.12 -5.64 0.00 0.13 -1.97 -3.45 132.00 120.35 1x4n h PRO 52 Ca -0.46 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1x4n h PRO 52 Cb 1.26 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 1x4n h PRO 52 CO 0.50 -0.08 -0.27 0.34 -0.23 0.00 0.00 178.00 178.27 1x4n s ASP 53 N -3.65 6.56 0.07 1.44 2.15 -1.26 -4.95 116.67 117.03 1x4n s ASP 53 Ca -0.02 0.66 0.27 0.00 0.43 0.00 0.00 52.55 53.89 1x4n s ASP 53 Cb 0.00 -2.21 0.87 0.00 -0.30 0.00 0.00 42.92 41.28 1x4n s ASP 53 CO 0.06 0.12 1.71 -1.54 -0.17 0.00 0.00 175.17 175.35 1x4n n SER 54 N 3.24 0.40 -0.02 -0.34 3.41 -1.26 -4.90 113.62 114.15 1x4n n SER 54 Ca -0.11 0.33 -0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1x4n n SER 54 Cb 0.52 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.43 0.46 0.82 5.00 0.00 -1.26 -3.13 105.19 108.51 1x4n n GLY 55 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.87 1.08 3.89 -0.02 0.00 -1.26 -5.08 105.19 100.93 1x4n n GLY 56 Ca -0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 3.92 0.22 0.99 2.01 -1.18 -4.99 118.68 119.64 1x4n s LEU 57 Ca 0.00 0.95 0.09 0.00 0.01 0.00 0.00 54.13 55.18 1x4n s LEU 57 Cb 0.00 -3.80 0.16 0.00 0.01 0.00 0.00 46.19 42.56 1x4n s LEU 57 CO 0.00 -0.32 1.50 1.55 1.01 0.00 0.00 176.35 180.09 1x4n h PRO 58 N 1.40 0.01 -5.77 1.29 0.13 -1.95 -3.44 132.00 123.66 1x4n h PRO 58 Ca -0.47 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 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 0.65 0.75 -0.85 -1.21 -0.23 0.00 0.00 178.00 177.11 1x4n s GLU 59 N -3.31 1.69 -0.15 0.86 8.01 -1.26 -3.27 118.70 121.28 1x4n s GLU 59 Ca -0.01 -0.69 -0.18 0.00 0.01 0.00 0.00 54.97 54.10 1x4n s GLU 59 Cb 0.12 -1.58 -0.04 0.00 -4.31 0.00 0.00 34.13 28.32 1x4n s GLU 59 CO 0.78 0.38 0.48 0.50 0.01 0.00 0.00 175.26 177.42 1x4n s ARG 60 N -0.33 4.29 0.27 1.61 6.06 0.50 -4.74 118.95 126.61 1x4n s ARG 60 Ca 0.04 0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 53.41 1x4n s ARG 60 Cb -0.09 -3.48 -0.09 0.00 0.06 0.00 0.00 34.95 31.35 1x4n s ARG 60 CO 0.00 0.06 0.98 0.45 -2.50 0.00 0.00 175.30 174.30 1x4n s SER 61 N 0.79 7.47 -0.22 -2.12 0.15 -1.26 -0.02 113.70 118.49 1x4n s SER 61 Ca 0.25 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.89 1x4n s SER 61 Cb -0.15 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1x4n s SER 61 CO 0.10 0.02 0.02 0.00 1.20 0.00 0.00 173.24 174.58 1x4n s MET 63 N 1.73 3.92 0.05 0.00 -1.94 -0.15 -3.03 119.30 119.88 1x4n s MET 63 Ca -0.01 1.08 -0.03 0.00 -1.71 0.00 0.00 55.69 55.02 1x4n s MET 63 Cb -0.17 -3.85 -0.05 0.00 2.01 0.00 0.00 34.83 32.77 1x4n s MET 63 CO -0.10 -1.11 0.26 -0.51 -0.01 0.00 0.00 175.02 173.55 1x4n s LEU 64 N 4.21 4.34 -0.07 -0.03 1.02 -1.12 -0.79 118.68 126.25 1x4n s LEU 64 Ca 0.52 0.43 -0.04 0.00 0.02 0.00 0.00 54.13 55.06 1x4n s LEU 64 Cb -0.14 -2.90 0.03 0.00 0.02 0.00 0.00 46.19 43.20 1x4n s LEU 64 CO 0.22 0.18 0.16 -0.89 0.02 0.00 0.00 176.35 176.04 1x4n s THR 65 N -1.45 -0.03 -4.62 5.49 2.01 -0.98 -2.28 115.64 113.78 1x4n s THR 65 Ca 0.33 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1x4n s THR 65 Cb -0.13 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1x4n s THR 65 CO 0.22 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1x4n n GLY 66 N 3.66 0.94 3.56 4.40 0.00 -0.96 -1.13 105.19 115.66 1x4n n GLY 66 Ca -0.20 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 8.31 0.00 0.03 2.61 -2.24 -1.26 -2.68 114.28 119.05 1x4n n THR 67 Ca 0.00 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1x4n n THR 67 Cb 0.00 -0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.90 0.64 0.00 -0.78 0.13 -1.94 -1.74 132.00 126.41 1x4n h PRO 68 Ca -0.46 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.05 1x4n h PRO 68 Cb 1.28 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1x4n h PRO 68 CO 0.40 1.23 0.00 0.93 -0.23 0.00 0.00 178.00 180.32 1x4n h GLU 69 N 0.39 0.00 0.11 0.86 4.39 -1.98 -2.62 114.58 115.73 1x4n h GLU 69 Ca -0.09 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.25 1x4n h GLU 69 Cb 1.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 1x4n h GLU 69 CO 0.18 0.00 -2.01 0.43 -1.16 0.00 0.00 179.01 176.44 1x4n n SER 70 N -2.45 2.05 -0.30 1.42 7.64 -1.14 -2.82 113.62 118.02 1x4n n SER 70 Ca 0.02 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.09 1x4n n SER 70 Cb 0.24 -0.79 0.12 0.00 -1.01 0.00 0.00 64.21 62.77 1x4n n SER 70 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1x4n h VAL 71 N 0.06 1.07 0.22 0.44 2.07 -1.03 0.13 116.25 119.21 1x4n h VAL 71 Ca -0.43 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1x4n h VAL 71 Cb 2.03 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1x4n h VAL 71 CO 0.08 0.18 -0.10 1.56 0.02 0.00 0.00 177.57 179.30 1x4n h GLN 72 N 0.96 -0.28 -0.63 1.57 7.50 -1.63 -1.43 115.11 121.17 1x4n h GLN 72 Ca 0.35 0.02 0.12 0.00 0.50 0.00 0.00 58.65 59.64 1x4n h GLN 72 Cb 0.11 0.06 -0.12 0.00 0.05 0.00 0.00 27.48 27.58 1x4n h GLN 72 CO -0.15 0.11 -0.20 0.77 -1.50 0.00 0.00 178.83 177.85 1x4n h SER 73 N -0.83 -0.72 -0.09 1.46 0.02 -1.34 0.25 113.55 112.30 1x4n h SER 73 Ca -0.03 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1x4n h SER 73 Cb 0.51 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1x4n h SER 73 CO 0.05 -0.24 0.03 0.00 -1.14 0.00 0.00 176.83 175.53 1x4n h ALA 74 N 1.49 0.09 -0.49 3.77 0.00 -0.79 -2.44 119.26 120.90 1x4n h ALA 74 Ca 0.29 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1x4n h ALA 74 Cb 0.49 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1x4n h ALA 74 CO -0.67 -0.43 -0.23 0.87 0.00 0.00 0.00 179.25 178.79 1x4n h LYS 75 N 0.08 -0.12 -0.77 0.00 1.57 0.33 0.27 116.57 117.92 1x4n h LYS 75 Ca 0.04 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 1x4n h LYS 75 Cb 0.01 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.24 1x4n h LYS 75 CO -0.03 -0.08 0.23 0.00 -0.57 0.00 0.00 179.45 178.99 1x4n h ARG 76 N -0.12 0.30 -0.42 3.15 2.47 -0.20 0.72 114.38 120.27 1x4n h ARG 76 Ca 0.23 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 1x4n h ARG 76 Cb 0.48 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1x4n h ARG 76 CO -0.57 0.20 0.19 -0.07 0.56 0.00 0.00 179.97 180.28 1x4n h LEU 77 N 0.31 0.56 0.32 3.04 3.38 -0.16 0.21 115.31 122.97 1x4n h LEU 77 Ca 0.45 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1x4n h LEU 77 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x4n h LEU 77 CO -0.51 0.54 -0.16 -0.07 0.09 0.00 0.00 178.44 178.33 1x4n h LEU 78 N 0.54 -0.37 -0.90 1.67 3.38 0.20 -2.44 115.31 117.39 1x4n h LEU 78 Ca 0.14 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.37 1x4n h LEU 78 Cb 0.14 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.84 1x4n h LEU 78 CO -0.02 -0.25 0.23 -0.78 0.09 0.00 0.00 178.44 177.72 1x4n h ASP 79 N -0.46 -0.03 -0.18 -0.43 3.58 0.27 -0.61 116.42 118.56 1x4n h ASP 79 Ca -0.04 0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1x4n h ASP 79 Cb 0.33 0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1x4n h ASP 79 CO 0.07 -0.19 -0.25 1.56 -2.88 0.00 0.00 179.24 177.56 1x4n h GLN 80 N 0.18 -0.17 -0.90 0.28 4.20 -0.39 1.21 115.11 119.52 1x4n h GLN 80 Ca 0.57 0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.47 1x4n h GLN 80 Cb 1.18 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.83 1x4n h GLN 80 CO -0.69 -0.11 -0.23 0.82 -0.67 0.00 0.00 178.83 177.95 1x4n h ILE 81 N -0.18 0.10 0.87 2.54 2.04 -0.63 1.55 117.51 123.81 1x4n h ILE 81 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1x4n h ILE 81 Cb 0.26 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1x4n h ILE 81 CO -0.27 0.00 -0.46 0.58 0.00 0.00 0.00 178.15 178.00 1x4n h VAL 82 N -0.00 0.07 -0.64 1.67 2.07 -0.62 0.66 116.25 119.45 1x4n h VAL 82 Ca 0.43 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.08 1x4n h VAL 82 Cb 0.65 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1x4n h VAL 82 CO -0.92 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 176.67 1x4n h GLU 83 N -1.23 0.19 -0.34 1.57 4.81 0.41 0.24 114.58 120.24 1x4n h GLU 83 Ca -0.12 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1x4n h GLU 83 Cb 0.96 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1x4n h GLU 83 CO 0.17 0.13 0.03 0.87 -0.73 0.00 0.00 179.01 179.47 1x4n h LYS 84 N 0.20 0.13 -2.29 1.92 6.56 0.23 -2.89 116.57 120.43 1x4n h LYS 84 Ca 0.34 -0.01 -0.69 0.00 -1.06 0.00 0.00 60.65 59.23 1x4n h LYS 84 Cb 0.55 -0.03 -0.35 0.00 -0.57 0.00 0.00 32.23 31.83 1x4n h LYS 84 CO -0.48 0.08 0.13 0.41 -2.06 0.00 0.00 179.45 177.53 1x4n n GLY 85 N -1.24 5.81 3.45 3.86 0.00 0.20 -4.97 105.19 112.30 1x4n n GLY 85 Ca 0.01 -2.69 -0.44 0.00 0.00 0.00 0.00 46.02 42.90 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 -3.81 3.52 0.00 1.61 1.81 0.63 -4.72 118.95 118.00 1x4n s ARG 86 Ca 0.44 -1.65 -0.00 0.00 -1.72 0.00 0.00 55.73 52.79 1x4n s ARG 86 Cb 0.23 -4.81 -0.00 0.00 -0.45 0.00 0.00 34.95 29.92 1x4n s ARG 86 CO -0.12 -1.76 -0.00 0.45 -0.68 0.00 0.00 175.30 173.18 1x4n n SER 87 N 6.62 0.09 0.00 0.23 2.88 -1.26 -5.07 113.62 117.10 1x4n n SER 87 Ca 0.19 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x4n n SER 87 Cb 0.48 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 3.08 -0.42 3.56 0.46 0.00 -1.26 -4.90 105.19 105.71 1x4n n GLY 88 Ca -0.00 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 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 3.02 -0.17 1.61 0.04 -1.26 -4.96 135.00 133.28 1x4n s PRO 89 Ca 0.00 -0.39 -0.25 0.00 0.04 0.00 0.00 61.00 60.40 1x4n s PRO 89 Cb 0.00 -4.87 -0.02 0.00 0.04 0.00 0.00 34.50 29.65 1x4n s PRO 89 CO 0.00 -2.66 0.81 -1.12 0.04 0.00 0.00 177.00 174.07 1x4n s SER 90 N 6.26 6.92 -1.17 6.66 0.01 -1.26 -4.96 113.70 126.16 1x4n s SER 90 Ca 0.55 1.13 -0.21 0.00 1.31 0.00 0.00 55.95 58.73 1x4n s SER 90 Cb -0.06 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1x4n s SER 90 CO 0.03 -0.39 1.81 -0.94 0.41 0.00 0.00 173.24 174.16 1x4n s SER 91 N 1.16 5.87 0.00 2.44 1.04 -1.26 -5.29 113.70 117.66 1x4n s SER 91 Ca 0.37 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1x4n s SER 91 Cb -0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1x4n s SER 91 CO 0.12 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.78