#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 4.71 0.08 1.61 1.04 -1.26 -5.08 113.70 114.80 1x4n s SER 2 Ca 0.00 -3.10 0.04 0.00 0.48 0.00 0.00 55.95 53.36 1x4n s SER 2 Cb 0.00 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 1x4n s SER 2 CO 0.00 -0.25 0.05 -0.55 0.98 0.00 0.00 173.24 173.47 1x4n s SER 3 N -0.14 5.36 0.00 7.02 0.15 -1.26 -4.92 113.70 119.91 1x4n s SER 3 Ca 0.18 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x4n s SER 3 Cb -0.21 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1x4n s SER 3 CO -0.03 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1x4n n GLY 4 N 0.48 -1.59 3.66 9.45 0.00 -1.26 -4.96 105.19 110.98 1x4n n GLY 4 Ca -0.09 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 6.52 0.17 1.61 1.04 -1.26 -4.98 113.70 116.80 1x4n s SER 5 Ca 0.00 2.54 0.08 0.00 0.48 0.00 0.00 55.95 59.05 1x4n s SER 5 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1x4n s SER 5 CO 0.00 -1.01 -0.16 -0.44 0.98 0.00 0.00 173.24 172.61 1x4n s SER 6 N 4.01 2.50 -0.44 7.02 0.01 -1.26 -5.09 113.70 120.45 1x4n s SER 6 Ca 0.83 -0.92 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1x4n s SER 6 Cb -0.40 -0.13 0.29 0.00 0.21 0.00 0.00 66.02 65.99 1x4n s SER 6 CO 0.38 -0.11 0.88 0.61 0.41 0.00 0.00 173.24 175.40 1x4n n GLY 7 N 0.07 1.25 3.89 3.44 0.00 -1.26 -5.13 105.19 107.45 1x4n n GLY 7 Ca -0.12 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.25 3.36 -0.29 1.61 -3.43 -1.26 -5.11 115.29 109.92 1x4n s HIS 8 Ca 0.30 0.06 -0.16 0.00 -0.80 0.00 0.00 55.06 54.47 1x4n s HIS 8 Cb 0.26 -1.60 0.16 0.00 -1.43 0.00 0.00 32.58 29.96 1x4n s HIS 8 CO -0.13 0.51 0.99 -0.65 -2.00 0.00 0.00 174.74 173.46 1x4n s GLN 9 N -3.23 0.33 0.00 -0.38 -0.21 -1.26 -5.16 119.66 109.75 1x4n s GLN 9 Ca 0.33 0.66 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1x4n s GLN 9 Cb -0.11 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.14 1x4n s GLN 9 CO 0.27 -0.09 0.00 0.94 -2.12 0.00 0.00 175.29 174.29 1x4n n GLN 10 N 4.24 0.00 -3.84 2.91 0.00 -1.26 -5.18 117.38 114.25 1x4n n GLN 10 Ca -0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.75 1x4n n GLN 10 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.71 1x4n n GLN 10 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1x4n s GLN 11 N 0.00 0.70 -0.29 3.69 -2.07 -1.26 -5.15 119.66 115.27 1x4n s GLN 11 Ca 0.00 -0.60 -0.16 0.00 -1.82 0.00 0.00 55.36 52.78 1x4n s GLN 11 Cb 0.00 0.29 0.18 0.00 -1.09 0.00 0.00 33.01 32.39 1x4n s GLN 11 CO 0.00 -0.20 1.13 0.50 -1.32 0.00 0.00 175.29 175.40 1x4n s ARG 12 N -2.51 0.19 0.51 9.60 3.52 -1.26 -5.15 118.95 123.86 1x4n s ARG 12 Ca -0.06 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1x4n s ARG 12 Cb -0.01 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1x4n s ARG 12 CO -0.04 -0.04 0.00 0.43 -0.81 0.00 0.00 175.30 174.84 1x4n n SER 13 N 3.43 -8.21 -4.26 -2.12 7.64 -1.26 -4.94 113.62 103.91 1x4n n SER 13 Ca -0.17 1.12 -0.23 0.00 1.01 0.00 0.00 58.87 60.59 1x4n n SER 13 Cb 0.57 -4.70 -0.13 0.00 -1.01 0.00 0.00 64.21 58.94 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 -3.59 1.60 0.28 0.44 1.01 -1.26 -4.76 120.40 114.12 1x4n s VAL 14 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 61.98 60.69 1x4n s VAL 14 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1x4n s VAL 14 CO 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 175.10 174.92 1x4n s MET 15 N -1.67 1.64 0.02 2.72 0.23 -0.82 -4.91 119.30 116.51 1x4n s MET 15 Ca 0.05 -1.77 0.07 0.00 -1.03 0.00 0.00 55.69 53.01 1x4n s MET 15 Cb -0.10 -1.63 -0.03 0.00 -1.53 0.00 0.00 34.83 31.55 1x4n s MET 15 CO 0.03 0.26 -0.19 0.99 -2.03 0.00 0.00 175.02 174.08 1x4n s THR 16 N -2.62 2.67 0.02 3.16 2.01 -1.26 -2.14 115.64 117.48 1x4n s THR 16 Ca 0.29 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1x4n s THR 16 Cb -0.03 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1x4n s THR 16 CO 0.14 0.41 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.72 1x4n s GLU 17 N -1.20 0.48 -0.51 4.92 2.56 -1.11 -5.00 118.70 118.83 1x4n s GLU 17 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 54.97 54.50 1x4n s GLU 17 Cb -0.10 -0.32 0.13 0.00 2.00 0.00 0.00 34.13 35.83 1x4n s GLU 17 CO 0.03 0.07 0.37 -2.00 -0.56 0.00 0.00 175.26 173.18 1x4n s GLU 18 N -0.99 2.51 -0.20 4.30 2.12 -1.26 -1.75 118.70 123.44 1x4n s GLU 18 Ca -0.05 -1.92 -0.09 0.00 0.36 0.00 0.00 54.97 53.27 1x4n s GLU 18 Cb -0.07 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 1x4n s GLU 18 CO 0.00 -1.19 0.11 -0.47 -0.54 0.00 0.00 175.26 173.17 1x4n s TYR 19 N 1.07 3.34 0.05 5.30 5.04 -0.77 -4.96 117.35 126.42 1x4n s TYR 19 Ca 0.08 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 1x4n s TYR 19 Cb -0.24 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 1x4n s TYR 19 CO -0.02 0.21 0.12 0.15 -1.34 0.00 0.00 175.55 174.68 1x4n s LYS 20 N 0.43 3.12 0.06 4.97 1.02 -1.26 -0.81 119.74 127.28 1x4n s LYS 20 Ca 0.06 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1x4n s LYS 20 Cb -0.12 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1x4n s LYS 20 CO -0.01 0.60 -0.02 0.14 -0.92 0.00 0.00 175.35 175.15 1x4n s VAL 21 N -1.38 0.21 -0.13 3.17 -7.23 -1.13 -4.95 120.40 108.96 1x4n s VAL 21 Ca 0.29 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 1x4n s VAL 21 Cb -0.12 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1x4n s VAL 21 CO 0.22 -0.91 1.26 -2.16 -0.31 0.00 0.00 175.10 173.20 1x4n s PRO 22 N -3.94 4.26 0.60 4.82 0.04 -1.26 -0.11 135.00 139.41 1x4n s PRO 22 Ca 0.10 1.68 0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x4n s PRO 22 Cb 0.08 -3.71 1.51 0.00 0.04 0.00 0.00 34.50 32.42 1x4n s PRO 22 CO -0.08 -0.64 1.91 0.38 0.04 0.00 0.00 177.00 178.61 1x4n h ASP 23 N 8.03 0.00 0.00 6.66 2.03 -1.88 1.56 116.42 132.82 1x4n h ASP 23 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1x4n h ASP 23 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1x4n h ASP 23 CO 0.95 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.77 1x4n n GLY 24 N -1.45 -0.84 0.08 7.15 0.00 -1.26 -3.66 105.19 105.20 1x4n n GLY 24 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 0.00 -0.29 1.61 2.81 0.50 -4.80 117.12 115.98 1x4n n MET 25 Ca 0.19 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 1x4n n MET 25 Cb 0.09 -0.78 0.04 0.00 -0.71 0.00 0.00 33.22 31.86 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 -1.32 2.03 3.04 -0.59 1.70 116.25 121.22 1x4n h VAL 26 Ca 0.00 0.00 0.38 0.00 -1.01 0.00 0.00 66.70 66.07 1x4n h VAL 26 Cb 0.62 0.11 -0.06 0.00 -2.01 0.00 0.00 31.29 29.95 1x4n h VAL 26 CO 0.00 0.00 0.94 1.23 -1.01 0.00 0.00 177.57 178.73 1x4n h GLY 27 N -0.07 0.19 0.57 3.17 0.00 -1.82 1.32 103.07 106.43 1x4n h GLY 27 Ca 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1x4n h GLY 27 CO -0.83 -0.04 -1.51 0.33 0.00 0.00 0.00 176.54 174.49 1x4n n PHE 28 N -4.21 0.57 -0.18 5.60 7.35 0.53 -4.14 117.46 122.97 1x4n n PHE 28 Ca 0.30 0.17 -0.09 0.00 -0.76 0.00 0.00 57.45 57.07 1x4n n PHE 28 Cb 1.36 -0.82 0.01 0.00 0.35 0.00 0.00 39.48 40.38 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 1.25 0.27 -2.13 2.04 0.65 -3.19 117.51 116.40 1x4n h ILE 29 Ca -0.06 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1x4n h ILE 29 Cb 1.17 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1x4n h ILE 29 CO 0.01 0.33 -0.27 0.40 0.00 0.00 0.00 178.15 178.62 1x4n h ILE 30 N 0.74 0.00 0.00 -0.67 5.03 -1.37 -2.31 117.51 118.93 1x4n h ILE 30 Ca 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.90 1x4n h ILE 30 Cb 0.38 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 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 -1.30 0.70 5.12 5.37 0.00 -1.21 -0.36 105.19 113.51 1x4n n GLY 31 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1x4n n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 32 N 0.00 0.00 0.05 1.61 5.12 -1.26 -1.61 116.66 120.58 1x4n n ARG 32 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1x4n n ARG 32 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1x4n n ARG 32 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1x4n h GLY 33 N 0.00 0.00 0.00 -0.13 0.00 -1.98 -3.48 103.07 97.48 1x4n h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x4n h GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1x4n n GLY 34 N 1.34 1.35 0.06 4.60 0.00 -0.63 -5.03 105.19 106.88 1x4n n GLY 34 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.09 0.59 0.06 1.61 2.13 -0.97 -3.38 120.64 120.59 1x4n n GLU 35 Ca 0.00 -0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 1x4n n GLU 35 Cb 0.00 -1.67 0.02 0.00 0.27 0.00 0.00 31.44 30.06 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 0.39 0.02 5.31 5.75 -0.88 -3.06 115.11 122.63 1x4n h GLN 36 Ca 0.00 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1x4n h GLN 36 Cb 0.97 0.07 0.01 0.00 1.07 0.00 0.00 27.48 29.60 1x4n h GLN 36 CO 0.00 0.98 -0.26 0.97 -2.65 0.00 0.00 178.83 177.87 1x4n h ILE 37 N 0.26 1.59 -0.83 2.39 6.09 -0.66 -3.28 117.51 123.06 1x4n h ILE 37 Ca -0.04 -2.08 0.14 0.00 -1.37 0.00 0.00 64.86 61.51 1x4n h ILE 37 Cb 1.34 2.93 -0.15 0.00 0.47 0.00 0.00 36.82 41.42 1x4n h ILE 37 CO 0.13 0.57 -0.34 -1.28 -3.07 0.00 0.00 178.15 174.15 1x4n h SER 38 N -0.58 -1.23 -0.94 2.19 0.87 -1.61 1.56 113.55 113.81 1x4n h SER 38 Ca -0.04 0.27 0.21 0.00 -1.23 0.00 0.00 61.79 61.01 1x4n h SER 38 Cb 1.07 0.66 -0.08 0.00 -0.44 0.00 0.00 62.40 63.61 1x4n h SER 38 CO 0.05 -0.29 0.62 -0.09 -0.53 0.00 0.00 176.83 176.58 1x4n h ARG 39 N -0.06 0.44 -0.15 2.24 2.43 -1.63 0.86 114.38 118.51 1x4n h ARG 39 Ca 0.32 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.27 1x4n h ARG 39 Cb 0.59 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1x4n h ARG 39 CO -0.87 0.29 -0.71 0.82 -1.51 0.00 0.00 179.97 177.99 1x4n h ILE 40 N 0.45 1.31 -0.18 1.20 2.04 0.20 0.59 117.51 123.13 1x4n h ILE 40 Ca 0.50 -1.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.26 1x4n h ILE 40 Cb 1.20 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1x4n h ILE 40 CO -0.22 0.62 -0.45 1.56 0.00 0.00 0.00 178.15 179.66 1x4n h GLN 41 N 0.46 0.44 0.00 2.37 4.20 0.31 0.51 115.11 123.40 1x4n h GLN 41 Ca -0.03 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.31 1x4n h GLN 41 Cb 1.31 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1x4n h GLN 41 CO 0.14 0.80 -0.92 1.96 -0.67 0.00 0.00 178.83 180.14 1x4n h GLN 42 N 0.35 0.00 0.01 1.46 1.08 0.55 0.36 115.11 118.92 1x4n h GLN 42 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 1x4n h GLN 42 Cb 0.94 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 1x4n h GLN 42 CO 0.08 0.41 -0.69 0.93 -0.95 0.00 0.00 178.83 178.60 1x4n h GLU 43 N 0.00 0.46 -0.02 1.46 4.39 0.39 -3.26 114.58 117.99 1x4n h GLU 43 Ca -0.07 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1x4n h GLU 43 Cb 1.47 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1x4n h GLU 43 CO 0.06 1.15 -0.23 -1.13 -1.16 0.00 0.00 179.01 177.70 1x4n n SER 44 N -4.15 2.39 -3.38 1.42 3.41 0.15 -4.95 113.62 108.52 1x4n n SER 44 Ca -0.11 -1.70 -0.23 0.00 -0.26 0.00 0.00 58.87 56.57 1x4n n SER 44 Cb 0.72 0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.89 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 1.37 -0.48 3.41 5.00 0.00 0.12 -4.62 105.19 109.99 1x4n n GLY 45 Ca 0.12 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.93 4.22 -0.26 0.00 2.20 -0.89 -4.40 119.74 117.68 1x4n s LYS 47 Ca 0.21 0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 56.61 1x4n s LYS 47 Cb -0.06 -2.94 0.09 0.00 -1.51 0.00 0.00 37.83 33.40 1x4n s LYS 47 CO 0.10 0.44 0.09 0.42 -0.36 0.00 0.00 175.35 176.04 1x4n s ILE 48 N -1.46 0.37 -0.53 5.43 1.01 -1.26 -2.38 121.20 122.38 1x4n s ILE 48 Ca 0.41 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1x4n s ILE 48 Cb -0.17 -1.16 0.13 0.00 0.01 0.00 0.00 42.46 41.27 1x4n s ILE 48 CO 0.21 -0.53 0.48 -1.10 0.00 0.00 0.00 174.94 174.00 1x4n s GLN 49 N 1.89 2.95 -0.14 2.79 -0.21 0.22 -4.94 119.66 122.22 1x4n s GLN 49 Ca 0.06 -1.70 -0.14 0.00 0.02 0.00 0.00 55.36 53.59 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 -0.23 -1.31 0.32 0.42 -2.12 0.00 0.00 175.29 172.37 1x4n s ILE 50 N 1.58 5.28 0.84 1.08 1.01 -1.26 -0.62 121.20 129.11 1x4n s ILE 50 Ca 0.03 0.60 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 1x4n s ILE 50 Cb -0.29 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.62 1x4n s ILE 50 CO 0.03 0.40 1.10 0.00 0.00 0.00 0.00 174.94 176.47 1x4n s ALA 51 N 0.34 1.89 0.00 9.38 0.00 -1.22 -5.02 121.76 127.12 1x4n s ALA 51 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1x4n s ALA 51 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1x4n s ALA 51 CO 0.05 -2.16 0.11 -0.35 0.00 0.00 0.00 175.76 173.41 1x4n n PRO 52 N -3.80 0.00 -2.98 0.00 -0.04 -1.26 -4.76 135.00 122.17 1x4n n PRO 52 Ca 0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1x4n n PRO 52 Cb 0.53 -0.58 -0.05 0.00 -0.04 0.00 0.00 33.50 33.36 1x4n n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4n s ASP 53 N -1.25 6.63 0.00 3.54 1.11 -1.26 -4.89 116.67 120.55 1x4n s ASP 53 Ca 0.00 0.62 0.16 0.00 0.18 0.00 0.00 52.55 53.51 1x4n s ASP 53 Cb 0.00 -2.39 0.78 0.00 1.07 0.00 0.00 42.92 42.38 1x4n s ASP 53 CO 0.00 -0.59 1.47 -0.24 1.18 0.00 0.00 175.17 176.99 1x4n n SER 54 N 6.14 0.00 0.00 0.27 2.88 -1.26 -4.82 113.62 116.83 1x4n n SER 54 Ca 0.03 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1x4n n SER 54 Cb 0.48 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1x4n n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4n n GLY 55 N 0.08 0.41 0.81 0.46 0.00 -1.26 -1.99 105.19 103.69 1x4n n GLY 55 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.73 0.64 3.30 -0.02 0.00 -1.26 -5.05 105.19 101.07 1x4n n GLY 56 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1x4n n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4n n LEU 57 N 0.00 -1.86 0.16 0.99 4.32 -0.84 -4.87 117.00 114.90 1x4n n LEU 57 Ca 0.00 0.29 0.04 0.00 -0.02 0.00 0.00 56.01 56.31 1x4n n LEU 57 Cb 0.00 -1.08 0.21 0.00 -1.62 0.00 0.00 43.42 40.93 1x4n n LEU 57 CO 0.00 -4.32 0.58 1.55 -1.22 0.00 0.00 177.39 173.98 1x4n h PRO 58 N -1.41 0.00 -4.62 3.23 0.13 -1.95 -3.44 132.00 123.94 1x4n h PRO 58 Ca -0.44 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.31 1x4n h PRO 58 Cb 1.29 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.13 1x4n h PRO 58 CO 0.31 0.46 -0.77 -1.21 -0.23 0.00 0.00 178.00 176.56 1x4n s GLU 59 N -3.36 0.70 -0.42 0.86 2.02 -1.26 -3.29 118.70 113.95 1x4n s GLU 59 Ca 0.01 -0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.46 1x4n s GLU 59 Cb 0.10 -0.67 0.02 0.00 0.10 0.00 0.00 34.13 33.68 1x4n s GLU 59 CO 0.71 0.16 0.89 0.50 0.02 0.00 0.00 175.26 177.55 1x4n s ARG 60 N -0.13 3.64 0.20 1.61 6.06 0.85 -4.79 118.95 126.39 1x4n s ARG 60 Ca 0.02 0.28 -0.31 0.00 -2.50 0.00 0.00 55.73 53.22 1x4n s ARG 60 Cb -0.04 -3.88 -0.10 0.00 0.06 0.00 0.00 34.95 31.00 1x4n s ARG 60 CO -0.00 -1.08 1.49 0.45 -2.50 0.00 0.00 175.30 173.65 1x4n s SER 61 N 2.09 6.64 -0.13 -2.12 0.15 -1.26 -2.83 113.70 116.23 1x4n s SER 61 Ca 0.36 2.62 -0.01 0.00 0.70 0.00 0.00 55.95 59.62 1x4n s SER 61 Cb -0.11 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1x4n s SER 61 CO 0.23 -0.75 -0.06 0.00 1.20 0.00 0.00 173.24 173.85 1x4n s MET 63 N 1.70 4.15 0.12 0.00 -1.94 0.21 -1.85 119.30 121.69 1x4n s MET 63 Ca 0.04 0.48 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 1x4n s MET 63 Cb -0.13 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1x4n s MET 63 CO -0.08 -0.28 0.17 -0.51 -0.01 0.00 0.00 175.02 174.31 1x4n s LEU 64 N 2.06 4.05 -0.08 -0.03 1.02 -0.71 0.72 118.68 125.70 1x4n s LEU 64 Ca 0.25 0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.42 1x4n s LEU 64 Cb -0.16 -2.66 0.05 0.00 0.02 0.00 0.00 46.19 43.44 1x4n s LEU 64 CO 0.09 0.11 0.18 -0.89 0.02 0.00 0.00 176.35 175.87 1x4n s THR 65 N -1.60 -0.16 -5.00 5.49 2.01 -1.00 -2.77 115.64 112.61 1x4n s THR 65 Ca 0.32 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1x4n s THR 65 Cb -0.11 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x4n s THR 65 CO 0.25 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1x4n n GLY 66 N 4.72 0.57 3.67 4.40 0.00 -0.91 -2.10 105.19 115.54 1x4n n GLY 66 Ca -0.17 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.85 2.35 0.17 2.61 -4.23 -1.26 -1.95 115.64 110.49 1x4n s THR 67 Ca 0.00 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1x4n s THR 67 Cb 0.00 -2.28 -0.13 0.00 1.34 0.00 0.00 72.50 71.43 1x4n s THR 67 CO 0.00 -0.15 1.40 1.55 -0.54 0.00 0.00 174.62 176.88 1x4n h PRO 68 N -1.83 0.29 0.00 3.99 0.13 -1.95 -1.62 132.00 131.01 1x4n h PRO 68 Ca -0.47 -0.28 -0.06 0.00 -0.87 0.00 0.00 66.00 64.32 1x4n h PRO 68 Cb 1.27 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1x4n h PRO 68 CO 0.46 0.96 -0.28 0.93 -0.23 0.00 0.00 178.00 179.85 1x4n h GLU 69 N 0.18 0.00 0.15 0.86 5.08 -1.99 -2.14 114.58 116.72 1x4n h GLU 69 Ca -0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1x4n h GLU 69 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x4n h GLU 69 CO 0.13 0.28 -1.59 0.77 -1.00 0.00 0.00 179.01 177.59 1x4n h SER 70 N 0.00 0.49 -0.15 1.42 0.02 -1.79 -2.80 113.55 110.75 1x4n h SER 70 Ca -0.00 -0.69 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1x4n h SER 70 Cb 0.73 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1x4n h SER 70 CO 0.04 1.57 0.09 0.58 -1.14 0.00 0.00 176.83 177.97 1x4n h VAL 71 N 0.09 1.06 0.09 2.27 2.07 -1.11 0.49 116.25 121.21 1x4n h VAL 71 Ca -0.27 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1x4n h VAL 71 Cb 2.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1x4n h VAL 71 CO 0.18 0.06 -0.04 1.56 0.02 0.00 0.00 177.57 179.34 1x4n h GLN 72 N 0.18 -0.11 -0.67 1.57 4.20 -1.52 0.27 115.11 119.03 1x4n h GLN 72 Ca 0.05 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.90 1x4n h GLN 72 Cb 0.02 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 1x4n h GLN 72 CO -0.01 0.04 0.18 0.77 -0.67 0.00 0.00 178.83 179.14 1x4n h SER 73 N -0.24 0.08 -0.55 1.46 0.02 -1.32 0.18 113.55 113.18 1x4n h SER 73 Ca -0.01 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 1x4n h SER 73 Cb 0.20 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1x4n h SER 73 CO 0.02 0.03 -0.08 0.00 -1.14 0.00 0.00 176.83 175.66 1x4n h ALA 74 N 1.52 0.74 -0.73 3.77 0.00 -0.64 -2.72 119.26 121.20 1x4n h ALA 74 Ca 0.36 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1x4n h ALA 74 Cb 0.56 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1x4n h ALA 74 CO -0.43 0.63 0.38 0.87 0.00 0.00 0.00 179.25 180.71 1x4n h LYS 75 N 0.89 0.63 -0.83 0.00 1.57 0.21 0.23 116.57 119.27 1x4n h LYS 75 Ca 0.15 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1x4n h LYS 75 Cb 0.64 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1x4n h LYS 75 CO 0.04 0.41 0.55 0.00 -0.57 0.00 0.00 179.45 179.89 1x4n h ARG 76 N 0.65 0.99 -0.33 3.15 2.47 -0.48 1.47 114.38 122.30 1x4n h ARG 76 Ca 0.36 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1x4n h ARG 76 Cb 0.36 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1x4n h ARG 76 CO -0.26 0.65 -0.37 -0.07 0.56 0.00 0.00 179.97 180.48 1x4n h LEU 77 N 1.02 0.89 -0.36 3.04 3.38 -0.67 0.52 115.31 123.14 1x4n h LEU 77 Ca 0.34 -0.48 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1x4n h LEU 77 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1x4n h LEU 77 CO -0.10 1.20 -0.41 -0.07 0.09 0.00 0.00 178.44 179.14 1x4n h LEU 78 N 0.61 0.97 -0.20 1.67 3.38 0.40 -2.60 115.31 119.54 1x4n h LEU 78 Ca 0.05 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1x4n h LEU 78 Cb 0.96 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1x4n h LEU 78 CO 0.09 1.26 -0.07 -0.78 0.09 0.00 0.00 178.44 179.03 1x4n h ASP 79 N 0.71 0.41 -0.35 -0.43 1.82 0.21 -3.18 116.42 115.61 1x4n h ASP 79 Ca 0.05 -0.39 0.07 0.00 -0.39 0.00 0.00 57.03 56.37 1x4n h ASP 79 Cb 1.01 -0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.82 1x4n h ASP 79 CO 0.10 0.70 -0.35 1.56 -1.61 0.00 0.00 179.24 179.64 1x4n h GLN 80 N 0.11 -0.29 -0.89 0.28 1.08 0.09 -1.02 115.11 114.46 1x4n h GLN 80 Ca 0.05 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.38 1x4n h GLN 80 Cb 0.54 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.91 1x4n h GLN 80 CO 0.02 -0.19 -0.49 0.82 -0.95 0.00 0.00 178.83 178.04 1x4n h ILE 81 N -0.30 0.02 -0.08 2.54 2.04 -1.44 1.51 117.51 121.79 1x4n h ILE 81 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1x4n h ILE 81 Cb 0.55 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1x4n h ILE 81 CO -0.51 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 177.89 1x4n h VAL 82 N -0.06 0.00 -0.39 1.67 2.07 -1.21 0.31 116.25 118.63 1x4n h VAL 82 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.82 1x4n h VAL 82 Cb 0.51 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1x4n h VAL 82 CO -0.89 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 176.39 1x4n h GLU 83 N -0.35 -0.15 -0.33 1.57 4.81 -0.11 0.87 114.58 120.90 1x4n h GLU 83 Ca 0.02 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1x4n h GLU 83 Cb 0.41 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1x4n h GLU 83 CO -0.26 -0.10 0.43 0.87 -0.73 0.00 0.00 179.01 179.21 1x4n h LYS 84 N -0.15 0.00 -2.12 1.92 1.57 0.29 -2.38 116.57 115.69 1x4n h LYS 84 Ca 0.19 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.40 1x4n h LYS 84 Cb 0.45 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.35 1x4n h LYS 84 CO -0.49 0.00 -0.85 0.41 -0.57 0.00 0.00 179.45 177.96 1x4n n GLY 85 N -1.43 4.16 0.43 3.86 0.00 0.29 -4.81 105.19 107.69 1x4n n GLY 85 Ca 0.05 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.78 0.00 -1.37 1.61 1.74 -0.70 -4.76 116.66 113.95 1x4n n ARG 86 Ca 0.27 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.50 1x4n n ARG 86 Cb 0.48 -0.77 -0.09 0.00 -1.02 0.00 0.00 32.46 31.06 1x4n n ARG 86 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1x4n n SER 87 N -2.68 -7.15 0.00 0.55 7.64 -1.26 -5.06 113.62 105.67 1x4n n SER 87 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1x4n n SER 87 Cb 0.48 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1x4n n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4n n GLY 88 N -4.24 -2.00 3.81 0.23 0.00 -1.26 -5.15 105.19 96.58 1x4n n GLY 88 Ca -0.08 0.72 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 2.30 -0.02 1.61 0.04 -1.26 -5.08 135.00 132.59 1x4n s PRO 89 Ca 0.00 0.72 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1x4n s PRO 89 Cb 0.00 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.70 1x4n s PRO 89 CO 0.00 -1.49 0.80 -1.54 0.04 0.00 0.00 177.00 174.81 1x4n s SER 90 N -3.88 -0.49 -0.36 6.66 1.04 -1.26 -5.04 113.70 110.37 1x4n s SER 90 Ca 0.60 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 1x4n s SER 90 Cb -0.14 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1x4n s SER 90 CO 0.54 -0.63 0.48 -1.20 0.98 0.00 0.00 173.24 173.42 1x4n n SER 91 N 0.25 -6.65 0.00 7.02 7.64 -1.26 -5.35 113.62 115.27 1x4n n SER 91 Ca -0.14 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x4n n SER 91 Cb 0.60 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64