#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n n SER 2 N 0.00 0.00 -3.75 1.61 2.88 -1.26 -4.57 113.62 108.54 1x4n n SER 2 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1x4n n SER 2 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1x4n n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4n s SER 3 N 0.00 3.02 0.00 -3.46 0.15 -1.26 -5.09 113.70 107.06 1x4n s SER 3 Ca 0.00 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1x4n s SER 3 Cb 0.00 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1x4n s SER 3 CO 0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1x4n n GLY 4 N 5.02 2.48 3.07 9.45 0.00 -1.26 -5.14 105.19 118.81 1x4n n GLY 4 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.73 -0.24 1.61 0.15 -1.26 -5.11 113.70 108.12 1x4n s SER 5 Ca 0.00 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 1x4n s SER 5 Cb 0.00 1.30 0.13 0.00 -1.71 0.00 0.00 66.02 65.74 1x4n s SER 5 CO 0.00 -0.12 0.43 -0.94 1.20 0.00 0.00 173.24 173.81 1x4n s SER 6 N 2.62 -0.14 0.24 5.45 1.04 -1.26 -5.14 113.70 116.51 1x4n s SER 6 Ca 0.21 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.87 1x4n s SER 6 Cb -0.03 1.35 -0.10 0.00 0.10 0.00 0.00 66.02 67.35 1x4n s SER 6 CO -0.20 -0.28 1.44 -0.83 0.98 0.00 0.00 173.24 174.35 1x4n s GLY 7 N 2.61 2.27 -0.49 7.32 0.00 -1.26 -4.96 107.32 112.82 1x4n s GLY 7 Ca 0.10 1.31 0.06 0.00 0.00 0.00 0.00 44.72 46.19 1x4n s GLY 7 CO -0.16 2.29 0.80 1.57 0.00 0.00 0.00 173.10 177.61 1x4n n HIS 8 N 2.50 -3.20 -4.00 1.90 -0.00 -1.26 -5.14 115.22 106.01 1x4n n HIS 8 Ca 0.07 -1.82 -0.34 0.00 -0.00 0.00 0.00 57.72 55.63 1x4n n HIS 8 Cb 0.40 1.37 -0.06 0.00 -0.00 0.00 0.00 29.99 31.70 1x4n n HIS 8 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1x4n s GLN 9 N 0.59 3.27 -0.26 1.57 -2.07 -1.26 -5.09 119.66 116.42 1x4n s GLN 9 Ca 0.32 -0.35 -0.01 0.00 -1.82 0.00 0.00 55.36 53.50 1x4n s GLN 9 Cb 0.16 -3.01 0.13 0.00 -1.09 0.00 0.00 33.01 29.20 1x4n s GLN 9 CO -0.18 0.69 0.34 -1.14 -1.32 0.00 0.00 175.29 173.67 1x4n s GLN 10 N -1.63 0.33 0.07 9.60 -0.44 -1.26 -5.15 119.66 121.18 1x4n s GLN 10 Ca 0.22 0.18 0.01 0.00 -2.50 0.00 0.00 55.36 53.27 1x4n s GLN 10 Cb -0.12 -0.61 0.01 0.00 -1.64 0.00 0.00 33.01 30.65 1x4n s GLN 10 CO 0.13 -0.85 0.05 0.94 0.50 0.00 0.00 175.29 176.06 1x4n n GLN 11 N 5.34 1.40 -3.22 1.67 -0.06 -1.26 -5.15 117.38 116.10 1x4n n GLN 11 Ca -0.02 -0.45 0.01 0.00 -2.00 0.00 0.00 57.00 54.54 1x4n n GLN 11 Cb 0.49 0.05 0.01 0.00 -4.06 0.00 0.00 30.24 26.73 1x4n n GLN 11 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1x4n n ARG 12 N -0.66 0.17 -1.14 3.69 1.85 -1.26 -5.16 116.66 114.14 1x4n n ARG 12 Ca -0.00 -0.58 0.02 0.00 -1.00 0.00 0.00 57.85 56.29 1x4n n ARG 12 Cb 0.08 0.91 -0.01 0.00 -1.05 0.00 0.00 32.46 32.39 1x4n n ARG 12 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1x4n n SER 13 N -0.81 -6.15 -4.10 2.89 7.64 -1.26 -4.88 113.62 106.96 1x4n n SER 13 Ca 0.02 1.33 -0.17 0.00 1.01 0.00 0.00 58.87 61.07 1x4n n SER 13 Cb 0.38 -3.51 -0.12 0.00 -1.01 0.00 0.00 64.21 59.95 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 -4.87 0.82 0.17 0.44 1.01 -1.26 -4.33 120.40 112.38 1x4n s VAL 14 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1x4n s VAL 14 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1x4n s VAL 14 CO 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 175.10 174.96 1x4n s MET 15 N -1.29 1.10 -0.08 2.72 0.23 -0.37 -4.91 119.30 116.71 1x4n s MET 15 Ca -0.03 -1.54 0.04 0.00 -1.03 0.00 0.00 55.69 53.14 1x4n s MET 15 Cb -0.08 -0.14 -0.00 0.00 -1.53 0.00 0.00 34.83 33.08 1x4n s MET 15 CO 0.01 -0.18 -0.22 0.99 -2.03 0.00 0.00 175.02 173.59 1x4n s THR 16 N -3.77 1.88 0.05 3.16 2.01 -1.26 -2.52 115.64 115.19 1x4n s THR 16 Ca 0.26 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1x4n s THR 16 Cb 0.07 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 1x4n s THR 16 CO 0.04 0.52 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.66 1x4n s GLU 17 N 0.20 0.84 -0.49 4.92 2.12 -0.95 -4.98 118.70 120.37 1x4n s GLU 17 Ca -0.12 -0.82 -0.10 0.00 0.36 0.00 0.00 54.97 54.28 1x4n s GLU 17 Cb -0.16 -0.83 0.12 0.00 0.26 0.00 0.00 34.13 33.52 1x4n s GLU 17 CO 0.06 0.20 0.38 -2.00 -0.54 0.00 0.00 175.26 173.36 1x4n s GLU 18 N -1.38 2.59 -0.29 4.30 2.12 -1.26 -1.52 118.70 123.26 1x4n s GLU 18 Ca -0.01 -1.78 -0.08 0.00 0.36 0.00 0.00 54.97 53.46 1x4n s GLU 18 Cb -0.09 -4.00 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 1x4n s GLU 18 CO 0.02 -1.22 0.11 -0.47 -0.54 0.00 0.00 175.26 173.16 1x4n s TYR 19 N 1.36 3.15 0.04 5.30 5.04 -0.90 -4.95 117.35 126.39 1x4n s TYR 19 Ca 0.06 -0.62 -0.15 0.00 -2.44 0.00 0.00 57.07 53.92 1x4n s TYR 19 Cb -0.27 -2.30 -0.06 0.00 0.35 0.00 0.00 41.96 39.69 1x4n s TYR 19 CO -0.00 -0.45 0.45 0.15 -1.34 0.00 0.00 175.55 174.35 1x4n s LYS 20 N 1.59 3.95 0.17 4.97 1.02 -1.26 -0.87 119.74 129.32 1x4n s LYS 20 Ca 0.05 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1x4n s LYS 20 Cb -0.17 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1x4n s LYS 20 CO 0.05 0.64 -0.04 0.14 -0.92 0.00 0.00 175.35 175.22 1x4n s VAL 21 N -1.16 0.94 -0.26 3.17 -7.23 -0.64 -4.91 120.40 110.32 1x4n s VAL 21 Ca 0.27 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 1x4n s VAL 21 Cb -0.17 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1x4n s VAL 21 CO 0.16 -0.57 1.33 -2.16 -0.31 0.00 0.00 175.10 173.54 1x4n s PRO 22 N -3.84 3.98 0.55 4.82 0.04 -1.26 0.13 135.00 139.43 1x4n s PRO 22 Ca 0.21 1.40 0.28 0.00 0.04 0.00 0.00 61.00 62.93 1x4n s PRO 22 Cb 0.05 -3.87 1.46 0.00 0.04 0.00 0.00 34.50 32.18 1x4n s PRO 22 CO 0.03 -1.04 1.95 0.22 0.04 0.00 0.00 177.00 178.20 1x4n h ASP 23 N 9.18 0.00 0.29 6.66 1.82 -1.85 1.22 116.42 133.74 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1x4n h ASP 23 Cb 1.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1x4n h ASP 23 CO 1.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 179.25 1x4n n GLY 24 N -1.61 -0.77 0.04 -0.78 0.00 -1.26 -3.21 105.19 97.60 1x4n n GLY 24 Ca 0.11 -0.06 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 -1.32 0.00 -0.29 1.61 2.81 0.39 -4.74 117.12 115.58 1x4n n MET 25 Ca 0.06 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1x4n n MET 25 Cb 0.12 -0.94 0.16 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.20 -1.31 2.03 3.04 -0.49 1.61 116.25 121.33 1x4n h VAL 26 Ca 0.00 -0.01 0.38 0.00 -1.01 0.00 0.00 66.70 66.05 1x4n h VAL 26 Cb 0.91 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 30.28 1x4n h VAL 26 CO 0.00 0.01 0.93 1.23 -1.01 0.00 0.00 177.57 178.73 1x4n h GLY 27 N 0.04 0.19 0.56 3.17 0.00 -1.81 1.03 103.07 106.25 1x4n h GLY 27 Ca 0.45 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.62 1x4n h GLY 27 CO -0.80 -0.04 -1.67 0.33 0.00 0.00 0.00 176.54 174.36 1x4n n PHE 28 N -4.21 0.56 0.05 5.60 7.35 0.52 -4.06 117.46 123.27 1x4n n PHE 28 Ca 0.29 0.18 0.01 0.00 -0.76 0.00 0.00 57.45 57.17 1x4n n PHE 28 Cb 1.35 -0.90 0.33 0.00 0.35 0.00 0.00 39.48 40.60 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 1.19 0.93 -2.13 2.04 0.37 -3.00 117.51 116.91 1x4n h ILE 29 Ca -0.16 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1x4n h ILE 29 Cb 1.46 1.05 0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1x4n h ILE 29 CO 0.02 0.26 -0.45 0.40 0.00 0.00 0.00 178.15 178.39 1x4n h ILE 30 N 0.39 0.00 -1.28 -0.67 2.04 -1.31 -1.17 117.51 115.52 1x4n h ILE 30 Ca 0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1x4n h ILE 30 Cb 0.35 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 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 -1.48 0.91 3.08 5.37 0.00 -1.13 0.46 105.19 112.41 1x4n n GLY 31 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.64 -0.33 0.00 1.61 5.12 -1.26 -2.60 116.66 118.56 1x4n n ARG 32 Ca 0.00 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 1x4n n ARG 32 Cb 0.21 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x4n n GLY 33 N 1.37 3.08 0.00 -0.13 0.00 -1.26 -4.28 105.19 103.97 1x4n n GLY 33 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.35 0.09 -0.02 0.00 -1.18 -5.04 105.19 100.39 1x4n n GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x4n h GLU 35 N 0.00 0.00 -0.07 1.61 4.81 -0.91 -2.84 114.58 117.18 1x4n h GLU 35 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1x4n h GLU 35 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1x4n h GLU 35 CO 0.00 0.41 -0.74 0.37 -0.73 0.00 0.00 179.01 178.32 1x4n h GLN 36 N 0.00 0.38 0.01 1.92 5.75 -0.12 -2.99 115.11 120.07 1x4n h GLN 36 Ca -0.20 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 57.92 1x4n h GLN 36 Cb 1.77 0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.40 1x4n h GLN 36 CO 0.06 0.97 -0.21 0.97 -2.65 0.00 0.00 178.83 177.97 1x4n h ILE 37 N 0.26 1.61 -0.80 2.39 6.09 -0.02 -3.28 117.51 123.77 1x4n h ILE 37 Ca -0.03 -2.07 0.16 0.00 -1.37 0.00 0.00 64.86 61.55 1x4n h ILE 37 Cb 1.32 2.95 -0.15 0.00 0.47 0.00 0.00 36.82 41.41 1x4n h ILE 37 CO 0.13 0.56 -0.20 -1.28 -3.07 0.00 0.00 178.15 174.28 1x4n h SER 38 N -0.63 -0.75 -0.81 2.19 0.87 -1.55 1.55 113.55 114.41 1x4n h SER 38 Ca -0.03 0.24 0.18 0.00 -1.23 0.00 0.00 61.79 60.95 1x4n h SER 38 Cb 1.03 0.50 -0.05 0.00 -0.44 0.00 0.00 62.40 63.43 1x4n h SER 38 CO 0.04 -0.26 0.55 -0.09 -0.53 0.00 0.00 176.83 176.53 1x4n h ARG 39 N -0.00 0.33 0.03 2.24 2.43 -1.60 0.84 114.38 118.65 1x4n h ARG 39 Ca 0.38 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 59.27 1x4n h ARG 39 Cb 0.58 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1x4n h ARG 39 CO -0.82 0.22 -1.06 0.82 -1.51 0.00 0.00 179.97 177.62 1x4n h ILE 40 N 0.34 1.35 -0.06 1.20 2.04 0.20 0.34 117.51 122.91 1x4n h ILE 40 Ca 0.41 -2.44 -0.11 0.00 1.00 0.00 0.00 64.86 63.72 1x4n h ILE 40 Cb 1.08 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1x4n h ILE 40 CO -0.12 0.74 -0.47 1.56 0.00 0.00 0.00 178.15 179.85 1x4n h GLN 41 N 0.28 0.15 0.08 2.37 4.20 0.28 -1.49 115.11 120.97 1x4n h GLN 41 Ca -0.12 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 58.22 1x4n h GLN 41 Cb 1.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1x4n h GLN 41 CO 0.19 0.59 -1.55 1.96 -0.67 0.00 0.00 178.83 179.36 1x4n h GLN 42 N 0.12 0.16 0.13 1.46 1.08 0.53 0.27 115.11 118.86 1x4n h GLN 42 Ca 0.01 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1x4n h GLN 42 Cb 0.88 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1x4n h GLN 42 CO 0.07 0.97 -0.06 0.93 -0.95 0.00 0.00 178.83 179.78 1x4n h GLU 43 N 0.04 -0.17 0.00 1.46 4.39 -0.20 -3.07 114.58 117.03 1x4n h GLU 43 Ca -0.24 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1x4n h GLU 43 Cb 1.99 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1x4n h GLU 43 CO 0.13 0.03 -0.84 0.66 -1.16 0.00 0.00 179.01 177.83 1x4n h SER 44 N -0.33 0.00 -1.37 1.42 4.64 -1.42 -3.48 113.55 113.01 1x4n h SER 44 Ca -0.02 -0.15 -0.28 0.00 -0.47 0.00 0.00 61.79 60.87 1x4n h SER 44 Cb 0.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1x4n h SER 44 CO 0.03 0.08 -0.31 0.61 -0.87 0.00 0.00 176.83 176.37 1x4n n GLY 45 N 1.28 0.53 3.78 -0.77 0.00 0.87 -4.66 105.19 106.22 1x4n n GLY 45 Ca 0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.48 4.09 -0.28 0.00 2.20 -0.79 -4.45 119.74 117.03 1x4n s LYS 47 Ca 0.31 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.52 1x4n s LYS 47 Cb -0.09 -3.05 0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1x4n s LYS 47 CO 0.23 0.53 0.10 0.42 -0.36 0.00 0.00 175.35 176.27 1x4n s ILE 48 N -1.33 0.46 -0.57 5.43 1.01 -1.26 -2.63 121.20 122.31 1x4n s ILE 48 Ca 0.35 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1x4n s ILE 48 Cb -0.17 -1.29 0.11 0.00 0.01 0.00 0.00 42.46 41.13 1x4n s ILE 48 CO 0.19 -0.60 0.62 -1.10 0.00 0.00 0.00 174.94 174.05 1x4n s GLN 49 N 1.84 3.02 -0.27 2.79 -0.21 0.14 -4.93 119.66 122.04 1x4n s GLN 49 Ca 0.07 -1.47 -0.11 0.00 0.02 0.00 0.00 55.36 53.88 1x4n s GLN 49 Cb -0.17 -4.28 -0.05 0.00 1.00 0.00 0.00 33.01 29.52 1x4n s GLN 49 CO -0.26 -1.45 0.17 0.42 -2.12 0.00 0.00 175.29 172.05 1x4n s ILE 50 N 2.26 5.22 0.83 1.08 1.01 -1.26 -0.80 121.20 129.54 1x4n s ILE 50 Ca 0.08 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 1x4n s ILE 50 Cb -0.26 -3.48 0.10 0.00 0.01 0.00 0.00 42.46 38.83 1x4n s ILE 50 CO 0.05 0.27 1.11 0.00 0.00 0.00 0.00 174.94 176.37 1x4n s ALA 51 N 1.64 1.91 0.00 9.38 0.00 -1.23 -5.01 121.76 128.44 1x4n s ALA 51 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1x4n s ALA 51 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1x4n s ALA 51 CO 0.09 -2.19 0.18 -0.35 0.00 0.00 0.00 175.76 173.49 1x4n n PRO 52 N -3.82 0.00 -2.87 0.00 -0.04 -1.26 -4.80 135.00 122.21 1x4n n PRO 52 Ca 0.10 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 1x4n n PRO 52 Cb 0.53 -0.83 -0.04 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.88 7.22 -0.29 3.54 1.11 -1.26 -4.93 116.67 120.18 1x4n s ASP 53 Ca 0.00 1.47 -0.02 0.00 0.18 0.00 0.00 52.55 54.18 1x4n s ASP 53 Cb 0.00 -2.50 0.10 0.00 1.07 0.00 0.00 42.92 41.59 1x4n s ASP 53 CO 0.00 -0.16 2.36 -1.54 1.18 0.00 0.00 175.17 177.01 1x4n n SER 54 N 3.65 6.22 0.00 0.27 3.41 -1.26 -4.93 113.62 120.98 1x4n n SER 54 Ca 0.02 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 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 0.83 0.49 0.67 5.00 0.00 -1.26 -0.99 105.19 109.94 1x4n n GLY 55 Ca 0.33 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 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 0.77 3.92 -0.02 0.00 -1.26 -5.12 105.19 103.47 1x4n n GLY 56 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 0.22 0.99 2.01 -0.16 -5.00 118.68 120.91 1x4n s LEU 57 Ca 0.04 0.53 0.10 0.00 0.01 0.00 0.00 54.13 54.80 1x4n s LEU 57 Cb 0.04 -3.31 0.17 0.00 0.01 0.00 0.00 46.19 43.10 1x4n s LEU 57 CO -0.02 -0.09 1.50 1.55 1.01 0.00 0.00 176.35 180.31 1x4n h PRO 58 N 1.97 0.00 -6.17 1.29 0.13 -1.95 -3.44 132.00 123.83 1x4n h PRO 58 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 1x4n h PRO 58 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1x4n h PRO 58 CO 0.68 0.74 -0.67 -1.21 -0.23 0.00 0.00 178.00 177.30 1x4n s GLU 59 N -3.31 2.73 -0.19 0.86 8.01 -1.26 -2.70 118.70 122.85 1x4n s GLU 59 Ca -0.00 -0.59 -0.20 0.00 0.01 0.00 0.00 54.97 54.18 1x4n s GLU 59 Cb 0.12 -2.61 -0.03 0.00 -4.31 0.00 0.00 34.13 27.29 1x4n s GLU 59 CO 0.78 0.64 0.57 0.50 0.01 0.00 0.00 175.26 177.76 1x4n s ARG 60 N -1.20 4.22 0.04 1.61 6.06 0.34 -4.75 118.95 125.27 1x4n s ARG 60 Ca 0.16 0.52 -0.30 0.00 -2.50 0.00 0.00 55.73 53.60 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 0.06 -0.15 1.27 0.45 -2.50 0.00 0.00 175.30 174.42 1x4n s SER 61 N 1.11 6.99 -0.24 -2.12 0.15 -1.26 -1.62 113.70 116.71 1x4n s SER 61 Ca 0.27 2.05 0.01 0.00 0.70 0.00 0.00 55.95 58.97 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 0.10 -0.57 -0.05 0.00 1.20 0.00 0.00 173.24 173.93 1x4n s MET 63 N 1.39 4.33 0.01 0.00 -1.94 0.02 -2.11 119.30 121.00 1x4n s MET 63 Ca -0.05 1.28 -0.00 0.00 -1.71 0.00 0.00 55.69 55.21 1x4n s MET 63 Cb -0.19 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.03 1x4n s MET 63 CO -0.07 -0.43 0.11 -0.51 -0.01 0.00 0.00 175.02 174.11 1x4n s LEU 64 N 2.46 4.01 -0.08 -0.03 1.02 -0.57 0.28 118.68 125.76 1x4n s LEU 64 Ca 0.44 0.18 -0.04 0.00 0.02 0.00 0.00 54.13 54.73 1x4n s LEU 64 Cb -0.17 -2.40 0.05 0.00 0.02 0.00 0.00 46.19 43.68 1x4n s LEU 64 CO 0.12 0.25 0.18 -0.89 0.02 0.00 0.00 176.35 176.04 1x4n s THR 65 N -1.26 -0.15 -5.00 5.49 2.01 -1.08 -2.24 115.64 113.41 1x4n s THR 65 Ca 0.25 0.24 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 0.17 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1x4n n GLY 66 N 4.68 0.09 3.81 4.40 0.00 -1.05 -1.88 105.19 115.25 1x4n n GLY 66 Ca -0.17 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.86 3.35 0.22 2.61 -4.23 -1.26 -1.24 115.64 111.23 1x4n s THR 67 Ca 0.00 0.44 0.09 0.00 -1.18 0.00 0.00 61.69 61.04 1x4n s THR 67 Cb 0.00 -3.19 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 1x4n s THR 67 CO 0.00 -0.57 1.50 1.55 -0.54 0.00 0.00 174.62 176.55 1x4n h PRO 68 N -0.97 0.00 0.00 3.99 0.13 -1.91 -1.37 132.00 131.87 1x4n h PRO 68 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1x4n h PRO 68 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x4n h PRO 68 CO 0.59 0.75 0.00 0.93 -0.23 0.00 0.00 178.00 180.03 1x4n h GLU 69 N 0.00 0.00 0.07 0.86 5.08 -1.99 -2.78 114.58 115.82 1x4n h GLU 69 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1x4n h GLU 69 Cb 1.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 1x4n h GLU 69 CO 0.10 0.00 -1.97 0.43 -1.00 0.00 0.00 179.01 176.56 1x4n n SER 70 N -2.93 1.59 -0.31 1.42 7.64 -1.11 -2.91 113.62 117.01 1x4n n SER 70 Ca 0.03 0.23 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 1x4n n SER 70 Cb 0.40 -0.46 0.13 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.04 1.25 0.33 0.44 2.07 -1.19 0.17 116.25 119.35 1x4n h VAL 71 Ca -0.40 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 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 0.07 0.26 -0.16 1.56 0.02 0.00 0.00 177.57 179.32 1x4n h GLN 72 N 1.22 -0.43 -0.57 1.57 7.50 -1.64 -0.74 115.11 122.02 1x4n h GLN 72 Ca 0.31 0.03 0.11 0.00 0.50 0.00 0.00 58.65 59.60 1x4n h GLN 72 Cb -0.03 0.10 -0.11 0.00 0.05 0.00 0.00 27.48 27.49 1x4n h GLN 72 CO -0.06 -0.19 -0.21 0.77 -1.50 0.00 0.00 178.83 177.64 1x4n h SER 73 N -1.06 -0.75 0.23 1.46 0.02 -1.46 0.18 113.55 112.17 1x4n h SER 73 Ca -0.05 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1x4n h SER 73 Cb 0.43 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1x4n h SER 73 CO 0.07 -0.24 -0.15 0.00 -1.14 0.00 0.00 176.83 175.37 1x4n h ALA 74 N 1.36 -0.35 -0.79 3.77 0.00 -0.75 -1.90 119.26 120.60 1x4n h ALA 74 Ca 0.26 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.29 1x4n h ALA 74 Cb 0.48 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 1x4n h ALA 74 CO -0.62 -0.71 -0.04 0.87 0.00 0.00 0.00 179.25 178.75 1x4n h LYS 75 N -0.37 0.07 -0.04 0.00 1.57 0.49 0.26 116.57 118.55 1x4n h LYS 75 Ca -0.02 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1x4n h LYS 75 Cb 0.32 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1x4n h LYS 75 CO 0.01 0.04 -0.19 0.00 -0.57 0.00 0.00 179.45 178.75 1x4n h ARG 76 N 0.07 -0.28 -0.66 3.15 2.47 -0.15 0.56 114.38 119.54 1x4n h ARG 76 Ca 0.42 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.33 1x4n h ARG 76 Cb 0.74 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.09 1x4n h ARG 76 CO -0.72 -0.18 0.46 -0.07 0.56 0.00 0.00 179.97 180.01 1x4n h LEU 77 N -0.29 0.14 0.10 3.04 3.38 0.17 0.57 115.31 122.42 1x4n h LEU 77 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x4n h LEU 77 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x4n h LEU 77 CO -0.20 0.07 -0.05 -0.07 0.09 0.00 0.00 178.44 178.28 1x4n h LEU 78 N 0.15 -0.11 -0.78 1.67 3.38 0.14 -3.15 115.31 116.60 1x4n h LEU 78 Ca 0.32 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.46 1x4n h LEU 78 Cb 1.05 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1x4n h LEU 78 CO -0.05 0.06 -0.13 -0.78 0.09 0.00 0.00 178.44 177.63 1x4n h ASP 79 N -0.42 -0.61 -0.86 -0.43 1.82 0.41 0.12 116.42 116.45 1x4n h ASP 79 Ca -0.01 0.22 0.12 0.00 -0.39 0.00 0.00 57.03 56.97 1x4n h ASP 79 Cb 0.10 0.44 -0.13 0.00 0.68 0.00 0.00 39.33 40.43 1x4n h ASP 79 CO 0.02 -0.24 -0.45 1.56 -1.61 0.00 0.00 179.24 178.52 1x4n h GLN 80 N 0.03 -0.07 -0.66 0.28 4.20 0.02 1.10 115.11 120.00 1x4n h GLN 80 Ca 0.39 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.24 1x4n h GLN 80 Cb 0.64 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.32 1x4n h GLN 80 CO -0.77 -0.05 -0.08 0.82 -0.67 0.00 0.00 178.83 178.08 1x4n h ILE 81 N -0.08 0.39 0.63 2.54 2.04 -0.72 1.53 117.51 123.85 1x4n h ILE 81 Ca 0.25 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1x4n h ILE 81 Cb 0.54 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1x4n h ILE 81 CO -0.87 0.01 -0.30 0.58 0.00 0.00 0.00 178.15 177.56 1x4n h VAL 82 N 0.05 0.29 -0.84 1.67 2.07 0.44 0.18 116.25 120.10 1x4n h VAL 82 Ca 0.33 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.81 1x4n h VAL 82 Cb 0.54 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 1x4n h VAL 82 CO -0.63 0.03 0.36 -0.08 0.02 0.00 0.00 177.57 177.27 1x4n h GLU 83 N -1.02 0.43 -0.65 1.57 4.81 0.21 0.47 114.58 120.40 1x4n h GLU 83 Ca -0.09 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1x4n h GLU 83 Cb 0.69 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1x4n h GLU 83 CO 0.14 0.29 0.10 0.87 -0.73 0.00 0.00 179.01 179.68 1x4n h LYS 84 N 0.45 1.07 -2.23 1.92 1.57 0.23 -3.18 116.57 116.40 1x4n h LYS 84 Ca 0.49 -0.28 -0.66 0.00 -1.87 0.00 0.00 60.65 58.32 1x4n h LYS 84 Cb 0.84 -0.13 -0.37 0.00 0.08 0.00 0.00 32.23 32.65 1x4n h LYS 84 CO -0.46 0.99 -0.08 0.41 -0.57 0.00 0.00 179.45 179.73 1x4n n GLY 85 N -0.60 5.80 0.13 3.86 0.00 0.13 -4.70 105.19 109.81 1x4n n GLY 85 Ca 0.04 -2.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.12 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 -0.21 0.65 -3.68 1.61 1.74 0.82 -4.76 116.66 112.82 1x4n n ARG 86 Ca 0.37 0.27 -0.16 0.00 -0.77 0.00 0.00 57.85 57.56 1x4n n ARG 86 Cb 0.36 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 1x4n n ARG 86 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1x4n s SER 87 N -6.94 0.51 0.00 0.55 0.15 -1.26 -5.05 113.70 101.66 1x4n s SER 87 Ca -0.32 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1x4n s SER 87 Cb 0.09 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x4n s SER 87 CO 0.61 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1x4n n GLY 88 N 5.13 2.51 3.56 9.45 0.00 -1.26 -5.04 105.19 119.54 1x4n n GLY 88 Ca -0.09 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.98 3.08 -0.17 1.61 0.04 -1.26 -4.33 135.00 132.99 1x4n s PRO 89 Ca 0.00 0.37 -0.05 0.00 0.04 0.00 0.00 61.00 61.36 1x4n s PRO 89 Cb 0.00 -4.22 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1x4n s PRO 89 CO 0.00 -2.22 0.10 0.45 0.04 0.00 0.00 177.00 175.37 1x4n n SER 90 N 10.47 -4.84 0.25 6.66 2.88 -1.26 -4.92 113.62 122.86 1x4n n SER 90 Ca 0.13 1.18 -0.14 0.00 -1.33 0.00 0.00 58.87 58.71 1x4n n SER 90 Cb 0.50 -4.14 -0.07 0.00 -0.75 0.00 0.00 64.21 59.74 1x4n n SER 90 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x4n h SER 91 N 3.89 -0.56 -0.02 -3.46 0.87 -1.98 -3.56 113.55 108.73 1x4n h SER 91 Ca -0.22 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x4n h SER 91 Cb 0.64 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x4n h SER 91 CO 0.03 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 176.75