#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 -0.12 0.57 1.61 0.15 -1.26 -5.15 113.70 109.50 1x4n s SER 2 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1x4n s SER 2 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1x4n s SER 2 CO 0.00 -1.10 0.00 -1.20 1.20 0.00 0.00 173.24 172.14 1x4n n SER 3 N -0.77 -8.60 -0.86 5.45 7.64 -1.26 -5.09 113.62 110.13 1x4n n SER 3 Ca -0.05 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1x4n n SER 3 Cb 0.60 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1x4n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4n n GLY 4 N -1.85 2.34 3.30 0.23 0.00 -1.26 -5.19 105.19 102.76 1x4n n GLY 4 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.60 -0.19 0.00 1.61 0.15 -1.26 -5.16 113.70 108.24 1x4n s SER 5 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1x4n s SER 5 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x4n s SER 5 CO 0.00 -0.75 0.00 -1.20 1.20 0.00 0.00 173.24 172.49 1x4n n SER 6 N 0.13 0.00 -3.17 5.45 7.64 -1.26 -5.16 113.62 117.25 1x4n n SER 6 Ca -0.17 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.75 1x4n n SER 6 Cb 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 1x4n n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4n s GLY 7 N 0.00 -0.96 -0.30 0.23 0.00 -1.26 -5.13 107.32 99.90 1x4n s GLY 7 Ca 0.00 1.91 -0.20 0.00 0.00 0.00 0.00 44.72 46.43 1x4n s GLY 7 CO 0.00 3.38 1.33 -2.38 0.00 0.00 0.00 173.10 175.43 1x4n s HIS 8 N 2.86 -0.00 -0.11 1.90 0.00 -1.26 -5.15 115.29 113.53 1x4n s HIS 8 Ca 0.19 0.00 -0.04 0.00 -3.00 0.00 0.00 55.06 52.22 1x4n s HIS 8 Cb -0.15 0.00 0.05 0.00 -4.00 0.00 0.00 32.58 28.48 1x4n s HIS 8 CO -0.21 -0.00 0.08 1.14 -1.00 0.00 0.00 174.74 174.75 1x4n s GLN 9 N 2.01 -0.01 0.13 -0.38 -2.07 -1.26 -5.14 119.66 112.94 1x4n s GLN 9 Ca 0.01 0.14 0.07 0.00 -1.82 0.00 0.00 55.36 53.76 1x4n s GLN 9 Cb -0.00 -1.21 -0.04 0.00 -1.09 0.00 0.00 33.01 30.67 1x4n s GLN 9 CO -0.16 -0.51 -0.08 -0.65 -1.32 0.00 0.00 175.29 172.57 1x4n s GLN 10 N 2.15 2.17 -0.20 9.60 -0.21 -1.26 -5.13 119.66 126.79 1x4n s GLN 10 Ca 0.03 -1.08 -0.26 0.00 0.02 0.00 0.00 55.36 54.07 1x4n s GLN 10 Cb -0.14 -2.29 0.07 0.00 1.00 0.00 0.00 33.01 31.64 1x4n s GLN 10 CO -0.06 0.49 0.70 -1.14 -2.12 0.00 0.00 175.29 173.15 1x4n s GLN 11 N -2.45 0.89 0.42 2.91 0.74 -1.26 -5.07 119.66 115.84 1x4n s GLN 11 Ca 0.23 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1x4n s GLN 11 Cb -0.10 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1x4n s GLN 11 CO 0.15 -0.17 0.00 -2.13 -0.55 0.00 0.00 175.29 172.59 1x4n n ARG 12 N 2.17 0.00 -3.83 1.67 0.00 -1.26 -5.17 116.66 110.24 1x4n n ARG 12 Ca -0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.62 1x4n n ARG 12 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 1x4n n ARG 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1x4n s SER 13 N -2.84 -0.13 0.07 6.15 1.04 -1.26 -5.17 113.70 111.56 1x4n s SER 13 Ca 0.00 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1x4n s SER 13 Cb 0.00 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1x4n s SER 13 CO 0.00 -1.44 -0.09 -0.69 0.98 0.00 0.00 173.24 172.01 1x4n s VAL 14 N -3.12 3.46 0.25 5.02 1.01 -1.26 -4.72 120.40 121.05 1x4n s VAL 14 Ca 0.13 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1x4n s VAL 14 Cb -0.05 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1x4n s VAL 14 CO 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.30 1x4n s MET 15 N -1.98 1.47 -0.07 2.72 0.23 -1.10 -4.95 119.30 115.61 1x4n s MET 15 Ca 0.20 -1.72 0.03 0.00 -1.03 0.00 0.00 55.69 53.18 1x4n s MET 15 Cb -0.11 -1.09 -0.02 0.00 -1.53 0.00 0.00 34.83 32.09 1x4n s MET 15 CO 0.12 0.06 -0.18 0.99 -2.03 0.00 0.00 175.02 173.99 1x4n s THR 16 N -3.05 2.72 0.06 3.16 2.01 -1.26 -3.00 115.64 116.29 1x4n s THR 16 Ca 0.28 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1x4n s THR 16 Cb 0.03 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1x4n s THR 16 CO 0.10 0.57 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.70 1x4n s GLU 17 N -0.24 1.20 -0.44 4.92 2.56 -1.06 -5.01 118.70 120.63 1x4n s GLU 17 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 54.97 53.91 1x4n s GLU 17 Cb -0.13 -1.35 0.11 0.00 2.00 0.00 0.00 34.13 34.76 1x4n s GLU 17 CO 0.03 0.33 0.28 -2.00 -0.56 0.00 0.00 175.26 173.34 1x4n s GLU 18 N -1.45 2.34 -0.19 4.30 2.12 -1.26 -2.23 118.70 122.32 1x4n s GLU 18 Ca 0.06 -1.73 -0.05 0.00 0.36 0.00 0.00 54.97 53.61 1x4n s GLU 18 Cb -0.09 -3.78 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 1x4n s GLU 18 CO 0.03 -1.11 -0.01 -0.47 -0.54 0.00 0.00 175.26 173.15 1x4n s TYR 19 N 1.30 3.02 -0.14 5.30 5.04 -1.17 -4.99 117.35 125.71 1x4n s TYR 19 Ca 0.06 -0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 54.10 1x4n s TYR 19 Cb -0.25 -2.06 -0.05 0.00 0.35 0.00 0.00 41.96 39.95 1x4n s TYR 19 CO -0.01 -0.24 0.21 0.15 -1.34 0.00 0.00 175.55 174.31 1x4n s LYS 20 N 0.94 3.93 0.22 4.97 1.02 -1.26 -1.03 119.74 128.53 1x4n s LYS 20 Ca 0.01 -0.04 0.09 0.00 0.02 0.00 0.00 55.97 56.05 1x4n s LYS 20 Cb -0.14 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1x4n s LYS 20 CO 0.02 0.48 -0.16 0.14 -0.92 0.00 0.00 175.35 174.90 1x4n s VAL 21 N -0.22 1.94 -0.24 3.17 -7.23 -0.54 -4.90 120.40 112.38 1x4n s VAL 21 Ca 0.14 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 1x4n s VAL 21 Cb -0.12 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1x4n s VAL 21 CO 0.03 -0.50 1.32 -2.16 -0.31 0.00 0.00 175.10 173.48 1x4n s PRO 22 N -3.48 4.03 0.65 4.82 0.04 -1.26 0.19 135.00 139.99 1x4n s PRO 22 Ca 0.23 1.45 0.30 0.00 0.04 0.00 0.00 61.00 63.03 1x4n s PRO 22 Cb -0.03 -3.85 1.64 0.00 0.04 0.00 0.00 34.50 32.30 1x4n s PRO 22 CO 0.09 -0.97 1.94 0.22 0.04 0.00 0.00 177.00 178.32 1x4n h ASP 23 N 8.99 0.00 0.20 6.66 3.58 -1.85 1.50 116.42 135.51 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 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1x4n h ASP 23 CO 1.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.98 1x4n n GLY 24 N -1.26 -1.05 0.00 -0.78 0.00 -1.26 -3.78 105.19 97.06 1x4n n GLY 24 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.11 0.00 -0.31 1.61 2.81 0.48 -4.80 117.12 115.81 1x4n n MET 25 Ca 0.19 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1x4n n MET 25 Cb 0.15 -0.82 0.06 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 0.09 -1.24 2.03 3.04 -0.61 1.68 116.25 121.25 1x4n h VAL 26 Ca 0.00 0.00 0.36 0.00 -1.01 0.00 0.00 66.70 66.05 1x4n h VAL 26 Cb 0.65 0.09 -0.09 0.00 -2.01 0.00 0.00 31.29 29.93 1x4n h VAL 26 CO 0.00 0.00 0.84 1.23 -1.01 0.00 0.00 177.57 178.63 1x4n h GLY 27 N -0.04 0.74 0.90 3.17 0.00 -1.82 1.21 103.07 107.22 1x4n h GLY 27 Ca 0.34 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1x4n h GLY 27 CO -0.87 -0.15 -1.28 0.33 0.00 0.00 0.00 176.54 174.57 1x4n n PHE 28 N -4.44 0.90 -0.06 5.60 7.35 0.53 -4.10 117.46 123.24 1x4n n PHE 28 Ca 0.30 0.28 -0.11 0.00 -0.76 0.00 0.00 57.45 57.16 1x4n n PHE 28 Cb 1.24 -0.99 -0.04 0.00 0.35 0.00 0.00 39.48 40.03 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 1.18 -0.17 -2.13 2.04 0.60 -3.12 117.51 115.91 1x4n h ILE 29 Ca -0.08 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1x4n h ILE 29 Cb 1.28 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1x4n h ILE 29 CO 0.02 0.18 -0.49 0.40 0.00 0.00 0.00 178.15 178.26 1x4n h ILE 30 N 0.16 0.00 0.00 -0.67 5.03 -1.32 -2.69 117.51 118.02 1x4n h ILE 30 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1x4n h ILE 30 Cb 0.22 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1x4n h ILE 30 CO -0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 1x4n n GLY 31 N -1.37 2.46 0.40 5.37 0.00 -1.18 -1.20 105.19 109.67 1x4n n GLY 31 Ca -0.05 -2.04 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.06 -0.09 1.61 -0.00 -1.92 -1.42 114.38 112.51 1x4n h ARG 32 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 1x4n h ARG 32 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.96 1x4n h ARG 32 CO 0.00 -0.04 -0.23 0.41 0.00 0.00 0.00 179.97 180.11 1x4n n GLY 33 N -1.38 4.93 2.21 0.04 0.00 -1.26 -4.92 105.19 104.81 1x4n n GLY 33 Ca 0.05 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.16 0.69 0.10 -0.02 0.00 -0.53 -4.90 105.19 99.36 1x4n n GLY 34 Ca 0.21 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.63 1.61 4.11 -1.76 -3.13 114.58 114.78 1x4n h GLU 35 Ca -0.18 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.30 1x4n h GLU 35 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1x4n h GLU 35 CO 0.24 0.41 0.36 0.37 0.07 0.00 0.00 179.01 180.46 1x4n h GLN 36 N 0.00 0.67 -0.08 1.06 5.75 -1.41 -1.07 115.11 120.02 1x4n h GLN 36 Ca -0.14 -0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.10 1x4n h GLN 36 Cb 1.61 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 30.03 1x4n h GLN 36 CO 0.06 0.44 -0.83 0.97 -2.65 0.00 0.00 178.83 176.82 1x4n h ILE 37 N 0.69 1.30 -0.58 2.39 6.09 -0.80 -3.23 117.51 123.37 1x4n h ILE 37 Ca 0.27 -2.07 0.11 0.00 -1.37 0.00 0.00 64.86 61.81 1x4n h ILE 37 Cb 0.11 2.21 -0.11 0.00 0.47 0.00 0.00 36.82 39.50 1x4n h ILE 37 CO -0.15 0.64 -0.19 -1.28 -3.07 0.00 0.00 178.15 174.11 1x4n h SER 38 N 0.39 -0.67 -0.62 2.19 0.87 -1.35 0.84 113.55 115.20 1x4n h SER 38 Ca -0.08 0.19 0.12 0.00 -1.23 0.00 0.00 61.79 60.78 1x4n h SER 38 Cb 1.48 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 63.81 1x4n h SER 38 CO 0.17 -0.22 0.42 -0.09 -0.53 0.00 0.00 176.83 176.57 1x4n h ARG 39 N -0.05 0.32 -0.02 2.24 2.43 -1.25 0.66 114.38 118.71 1x4n h ARG 39 Ca 0.27 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.18 1x4n h ARG 39 Cb 0.46 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1x4n h ARG 39 CO -0.62 0.21 -0.96 0.82 -1.51 0.00 0.00 179.97 177.91 1x4n h ILE 40 N 0.32 1.33 -0.17 1.20 2.04 0.40 0.60 117.51 123.23 1x4n h ILE 40 Ca 0.29 -2.29 -0.13 0.00 1.00 0.00 0.00 64.86 63.74 1x4n h ILE 40 Cb 0.71 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1x4n h ILE 40 CO -0.07 0.70 -0.44 1.56 0.00 0.00 0.00 178.15 179.90 1x4n h GLN 41 N 0.34 0.41 0.11 2.37 4.20 0.24 -2.14 115.11 120.65 1x4n h GLN 41 Ca -0.10 -0.21 -0.30 0.00 0.06 0.00 0.00 58.65 58.10 1x4n h GLN 41 Cb 1.60 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 1x4n h GLN 41 CO 0.18 0.77 -1.51 1.96 -0.67 0.00 0.00 178.83 179.56 1x4n h GLN 42 N 0.34 0.24 0.40 1.46 1.08 0.22 0.28 115.11 119.13 1x4n h GLN 42 Ca 0.03 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 1x4n h GLN 42 Cb 0.91 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 1x4n h GLN 42 CO 0.08 1.11 -0.27 0.93 -0.95 0.00 0.00 178.83 179.72 1x4n h GLU 43 N 0.07 -0.63 0.00 1.46 4.39 0.28 -2.93 114.58 117.22 1x4n h GLU 43 Ca -0.24 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1x4n h GLU 43 Cb 2.01 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 1x4n h GLU 43 CO 0.16 -0.42 -0.74 0.66 -1.16 0.00 0.00 179.01 177.51 1x4n h SER 44 N -0.66 0.00 -0.50 1.42 4.64 -1.53 -3.48 113.55 113.45 1x4n h SER 44 Ca -0.04 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1x4n h SER 44 Cb 0.55 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 1x4n h SER 44 CO 0.02 0.00 -0.14 0.61 -0.87 0.00 0.00 176.83 176.45 1x4n n GLY 45 N 1.16 0.73 3.82 -0.77 0.00 0.90 -4.70 105.19 106.33 1x4n n GLY 45 Ca 0.01 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.62 3.92 -0.27 0.00 2.20 0.14 -4.41 119.74 117.71 1x4n s LYS 47 Ca 0.32 0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 56.32 1x4n s LYS 47 Cb -0.09 -3.03 0.09 0.00 -1.51 0.00 0.00 37.83 33.29 1x4n s LYS 47 CO 0.25 0.55 0.09 0.42 -0.36 0.00 0.00 175.35 176.30 1x4n s ILE 48 N -1.34 0.53 -0.54 5.43 1.01 -1.26 -1.90 121.20 123.13 1x4n s ILE 48 Ca 0.33 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 1x4n s ILE 48 Cb -0.15 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.13 1x4n s ILE 48 CO 0.18 -0.55 0.54 -1.10 0.00 0.00 0.00 174.94 174.00 1x4n s GLN 49 N 1.81 3.00 -0.24 2.79 -0.21 0.77 -4.94 119.66 122.65 1x4n s GLN 49 Ca 0.06 -1.57 -0.14 0.00 0.02 0.00 0.00 55.36 53.74 1x4n s GLN 49 Cb -0.17 -4.27 -0.04 0.00 1.00 0.00 0.00 33.01 29.53 1x4n s GLN 49 CO -0.23 -1.34 0.33 0.42 -2.12 0.00 0.00 175.29 172.35 1x4n s ILE 50 N 1.87 5.23 0.82 1.08 1.01 -1.26 -0.83 121.20 129.11 1x4n s ILE 50 Ca 0.05 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 1x4n s ILE 50 Cb -0.28 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.62 1x4n s ILE 50 CO 0.04 0.24 1.11 0.00 0.00 0.00 0.00 174.94 176.33 1x4n s ALA 51 N 1.53 2.01 0.00 9.38 0.00 -1.23 -5.02 121.76 128.43 1x4n s ALA 51 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1x4n s ALA 51 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1x4n s ALA 51 CO 0.08 -2.08 0.12 -0.35 0.00 0.00 0.00 175.76 173.53 1x4n n PRO 52 N -3.74 0.00 -2.73 0.00 -0.04 -1.26 -4.81 135.00 122.42 1x4n n PRO 52 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1x4n n PRO 52 Cb 0.53 -0.61 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 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 7.37 -0.28 3.54 1.01 -1.26 -4.93 116.67 120.87 1x4n s ASP 53 Ca 0.00 1.65 -0.02 0.00 0.71 0.00 0.00 52.55 54.89 1x4n s ASP 53 Cb 0.00 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.46 1x4n s ASP 53 CO 0.00 -0.23 2.39 -1.54 0.21 0.00 0.00 175.17 176.00 1x4n n SER 54 N 3.78 6.21 0.00 0.27 3.41 -1.26 -4.93 113.62 121.09 1x4n n SER 54 Ca 0.05 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1x4n n SER 54 Cb 0.51 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.86 0.50 0.77 5.00 0.00 -1.26 -0.93 105.19 110.12 1x4n n GLY 55 Ca 0.33 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 0.75 3.92 -0.02 0.00 -1.26 -5.12 105.19 103.46 1x4n n GLY 56 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 4.17 0.21 0.99 2.01 -0.11 -5.00 118.68 120.95 1x4n s LEU 57 Ca 0.06 0.52 0.07 0.00 0.01 0.00 0.00 54.13 54.79 1x4n s LEU 57 Cb 0.07 -3.30 0.12 0.00 0.01 0.00 0.00 46.19 43.09 1x4n s LEU 57 CO -0.03 -0.09 1.47 1.55 1.01 0.00 0.00 176.35 180.26 1x4n h PRO 58 N 1.94 0.07 -6.14 1.29 0.13 -1.95 -3.44 132.00 123.90 1x4n h PRO 58 Ca -0.48 -0.07 -0.68 0.00 -0.87 0.00 0.00 66.00 63.90 1x4n h PRO 58 Cb 1.19 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1x4n h PRO 58 CO 0.68 0.80 -0.69 -1.21 -0.23 0.00 0.00 178.00 177.35 1x4n s GLU 59 N -3.31 2.76 -0.17 0.86 8.01 -1.26 -2.72 118.70 122.88 1x4n s GLU 59 Ca -0.01 -0.54 -0.22 0.00 0.01 0.00 0.00 54.97 54.20 1x4n s GLU 59 Cb 0.11 -2.61 -0.03 0.00 -4.31 0.00 0.00 34.13 27.30 1x4n s GLU 59 CO 0.80 0.67 0.68 0.50 0.01 0.00 0.00 175.26 177.91 1x4n s ARG 60 N -0.86 4.27 0.05 1.61 6.06 0.49 -4.74 118.95 125.83 1x4n s ARG 60 Ca 0.13 0.74 -0.31 0.00 -2.50 0.00 0.00 55.73 53.79 1x4n s ARG 60 Cb -0.11 -3.55 -0.06 0.00 0.06 0.00 0.00 34.95 31.29 1x4n s ARG 60 CO 0.02 -0.19 1.25 0.45 -2.50 0.00 0.00 175.30 174.33 1x4n s SER 61 N 1.10 7.01 -0.25 -2.12 0.15 -1.26 -1.46 113.70 116.86 1x4n s SER 61 Ca 0.32 2.05 0.02 0.00 0.70 0.00 0.00 55.95 59.04 1x4n s SER 61 Cb -0.16 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.64 1x4n s SER 61 CO 0.12 -0.54 -0.07 0.00 1.20 0.00 0.00 173.24 173.95 1x4n s MET 63 N 1.23 3.92 0.02 0.00 -1.94 -0.01 -3.04 119.30 119.48 1x4n s MET 63 Ca -0.06 1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 54.99 1x4n s MET 63 Cb -0.19 -3.85 -0.04 0.00 2.01 0.00 0.00 34.83 32.75 1x4n s MET 63 CO -0.06 -1.11 0.24 -0.51 -0.01 0.00 0.00 175.02 173.57 1x4n s LEU 64 N 4.24 4.36 -0.07 -0.03 1.02 -0.94 -0.16 118.68 127.09 1x4n s LEU 64 Ca 0.53 0.46 -0.04 0.00 0.02 0.00 0.00 54.13 55.10 1x4n s LEU 64 Cb -0.14 -2.74 0.03 0.00 0.02 0.00 0.00 46.19 43.36 1x4n s LEU 64 CO 0.22 0.23 0.17 -0.89 0.02 0.00 0.00 176.35 176.10 1x4n s THR 65 N -1.36 -0.03 -5.00 5.49 2.01 -0.80 -2.57 115.64 113.39 1x4n s THR 65 Ca 0.29 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1x4n s THR 65 Cb -0.13 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1x4n s THR 65 CO 0.19 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1x4n n GLY 66 N 3.67 0.99 3.50 4.40 0.00 -1.16 -0.69 105.19 115.90 1x4n n GLY 66 Ca -0.20 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 0.09 2.61 -2.24 -1.26 -2.73 114.28 119.75 1x4n n THR 67 Ca 0.00 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1x4n n THR 67 Cb 0.00 -0.78 0.04 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.80 0.15 0.00 -0.78 0.13 -1.93 -1.87 132.00 125.90 1x4n h PRO 68 Ca -0.45 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 1x4n h PRO 68 Cb 1.29 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1x4n h PRO 68 CO 0.38 0.86 -0.17 0.93 -0.23 0.00 0.00 178.00 179.77 1x4n h GLU 69 N 0.09 0.00 0.09 0.86 5.08 -1.99 -2.95 114.58 115.75 1x4n h GLU 69 Ca -0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 1x4n h GLU 69 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1x4n h GLU 69 CO 0.12 0.17 -1.49 0.77 -1.00 0.00 0.00 179.01 177.58 1x4n h SER 70 N 0.00 0.29 -0.67 1.42 0.02 -1.81 -2.73 113.55 110.08 1x4n h SER 70 Ca -0.00 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1x4n h SER 70 Cb 0.93 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1x4n h SER 70 CO 0.02 1.34 0.34 0.58 -1.14 0.00 0.00 176.83 177.98 1x4n h VAL 71 N 0.05 1.22 0.36 2.27 2.07 -1.27 0.44 116.25 121.39 1x4n h VAL 71 Ca -0.22 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1x4n h VAL 71 Cb 1.98 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1x4n h VAL 71 CO 0.15 0.25 -0.17 1.56 0.02 0.00 0.00 177.57 179.37 1x4n h GLN 72 N 0.92 -0.46 -0.49 1.57 4.20 -1.62 -1.17 115.11 118.05 1x4n h GLN 72 Ca 0.23 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.07 1x4n h GLN 72 Cb 0.08 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 27.86 1x4n h GLN 72 CO -0.03 -0.15 -0.32 0.77 -0.67 0.00 0.00 178.83 178.43 1x4n h SER 73 N -0.94 -1.08 -0.13 1.46 0.02 -1.42 0.12 113.55 111.57 1x4n h SER 73 Ca -0.05 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1x4n h SER 73 Cb 0.53 0.53 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 1x4n h SER 73 CO 0.08 -0.31 -0.13 0.00 -1.14 0.00 0.00 176.83 175.33 1x4n h ALA 74 N 0.90 -0.04 -0.60 3.77 0.00 -0.96 -1.82 119.26 120.51 1x4n h ALA 74 Ca 0.20 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1x4n h ALA 74 Cb 0.54 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1x4n h ALA 74 CO -0.60 -0.58 -0.30 0.87 0.00 0.00 0.00 179.25 178.63 1x4n h LYS 75 N -0.16 -0.13 -0.53 0.00 1.57 0.31 0.28 116.57 117.92 1x4n h LYS 75 Ca 0.09 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1x4n h LYS 75 Cb 0.29 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.53 1x4n h LYS 75 CO -0.22 -0.09 -0.09 0.00 -0.57 0.00 0.00 179.45 178.48 1x4n h ARG 76 N -0.14 0.03 -0.99 3.15 2.47 -0.08 0.57 114.38 119.39 1x4n h ARG 76 Ca 0.25 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.02 1x4n h ARG 76 Cb 0.54 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 1x4n h ARG 76 CO -0.68 0.02 0.64 -0.07 0.56 0.00 0.00 179.97 180.44 1x4n h LEU 77 N 0.03 1.05 0.12 3.04 3.38 0.15 0.25 115.31 123.33 1x4n h LEU 77 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1x4n h LEU 77 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x4n h LEU 77 CO -0.51 0.69 -0.06 -0.07 0.09 0.00 0.00 178.44 178.58 1x4n h LEU 78 N 1.20 -0.14 -0.90 1.67 3.38 0.27 -2.95 115.31 117.84 1x4n h LEU 78 Ca 0.41 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.57 1x4n h LEU 78 Cb 0.09 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.70 1x4n h LEU 78 CO -0.15 -0.08 -0.21 -0.78 0.09 0.00 0.00 178.44 177.31 1x4n h ASP 79 N -0.20 -0.82 -0.93 -0.43 3.58 0.04 0.14 116.42 117.80 1x4n h ASP 79 Ca -0.02 0.27 0.08 0.00 0.42 0.00 0.00 57.03 57.79 1x4n h ASP 79 Cb 0.12 0.55 -0.11 0.00 1.72 0.00 0.00 39.33 41.62 1x4n h ASP 79 CO 0.03 -0.30 -0.55 0.00 -2.88 0.00 0.00 179.24 175.54 1x4n n GLN 80 N -5.57 -0.41 -0.25 0.28 1.13 0.88 0.20 117.38 113.65 1x4n n GLN 80 Ca 0.14 1.44 -0.11 0.00 -1.94 0.00 0.00 57.00 56.54 1x4n n GLN 80 Cb 0.46 -2.12 -0.09 0.00 0.11 0.00 0.00 30.24 28.61 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 0.00 -0.58 5.09 2.04 -0.54 1.55 117.51 125.06 1x4n h ILE 81 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.13 1x4n h ILE 81 Cb 0.38 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.36 1x4n h ILE 81 CO -0.87 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 177.79 1x4n h VAL 82 N -0.16 0.47 0.78 1.67 2.07 -0.66 0.49 116.25 120.92 1x4n h VAL 82 Ca 0.10 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1x4n h VAL 82 Cb 0.43 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1x4n h VAL 82 CO -0.67 0.01 -0.49 -0.08 0.02 0.00 0.00 177.57 176.36 1x4n h GLU 83 N 0.06 -1.15 -0.67 1.57 4.81 0.38 1.20 114.58 120.77 1x4n h GLU 83 Ca 0.29 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.74 1x4n h GLU 83 Cb 0.46 0.26 -0.12 0.00 0.63 0.00 0.00 28.75 29.98 1x4n h GLU 83 CO -0.54 -0.77 -0.05 -0.22 -0.73 0.00 0.00 179.01 176.70 1x4n h LYS 84 N -1.19 0.07 -0.16 1.92 1.63 0.28 0.32 116.57 119.43 1x4n h LYS 84 Ca -0.10 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1x4n h LYS 84 Cb 0.96 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1x4n h LYS 84 CO 0.10 0.05 0.06 0.78 -3.45 0.00 0.00 179.45 176.98 1x4n h GLY 85 N 0.07 0.27 -0.50 5.01 0.00 0.30 -2.82 103.07 105.41 1x4n h GLY 85 Ca 0.35 -0.16 0.26 0.00 0.00 0.00 0.00 47.33 47.79 1x4n h GLY 85 CO -0.62 0.15 0.32 3.21 0.00 0.00 0.00 176.54 179.60 1x4n h ARG 86 N 0.09 0.22 -5.76 4.80 3.08 0.35 -3.46 114.38 113.71 1x4n h ARG 86 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x4n h ARG 86 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1x4n h ARG 86 CO -0.00 0.15 -0.90 0.45 -1.07 0.00 0.00 179.97 178.59 1x4n n SER 87 N -5.19 -6.18 0.00 7.04 2.88 -0.54 -4.97 113.62 106.66 1x4n n SER 87 Ca 0.25 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1x4n n SER 87 Cb 0.78 -3.24 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 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 1.45 -0.27 3.80 0.46 0.00 -1.26 -5.13 105.19 104.24 1x4n n GLY 88 Ca -0.07 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.99 3.62 0.15 1.61 0.04 -1.26 -5.00 135.00 132.17 1x4n s PRO 89 Ca 0.00 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1x4n s PRO 89 Cb 0.00 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1x4n s PRO 89 CO 0.00 -0.57 1.15 0.45 0.04 0.00 0.00 177.00 178.07 1x4n s SER 90 N -2.37 7.17 -0.07 6.66 0.15 -1.26 -5.03 113.70 118.95 1x4n s SER 90 Ca 0.65 2.12 -0.04 0.00 0.70 0.00 0.00 55.95 59.38 1x4n s SER 90 Cb -0.16 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1x4n s SER 90 CO 0.27 -0.32 0.16 -0.94 1.20 0.00 0.00 173.24 173.62 1x4n s SER 91 N 0.23 -0.15 0.00 5.45 1.04 -1.26 -5.29 113.70 113.71 1x4n s SER 91 Ca 0.52 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1x4n s SER 91 Cb -0.30 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1x4n s SER 91 CO 0.34 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.05