#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 -0.24 0.19 1.61 0.15 -1.26 -5.19 113.70 108.96 1x4n s SER 2 Ca 0.00 -0.39 -0.19 0.00 0.70 0.00 0.00 55.95 56.07 1x4n s SER 2 Cb 0.00 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1x4n s SER 2 CO 0.00 -0.99 0.55 -0.94 1.20 0.00 0.00 173.24 173.06 1x4n s SER 3 N -2.88 -0.32 0.00 5.45 1.04 -1.26 -5.17 113.70 110.56 1x4n s SER 3 Ca 0.11 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x4n s SER 3 Cb -0.03 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1x4n s SER 3 CO 0.01 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1x4n n GLY 4 N -0.35 1.04 3.49 7.32 0.00 -1.26 -5.17 105.19 110.26 1x4n n GLY 4 Ca -0.11 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.29 1x4n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n s SER 5 N 0.00 -0.13 -0.30 1.61 0.01 -1.26 -5.17 113.70 108.46 1x4n s SER 5 Ca 0.00 0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1x4n s SER 5 Cb 0.00 1.09 0.21 0.00 0.21 0.00 0.00 66.02 67.53 1x4n s SER 5 CO 0.00 -0.03 1.31 -0.55 0.41 0.00 0.00 173.24 174.38 1x4n s SER 6 N 1.47 -0.06 0.52 2.44 0.15 -1.26 -5.18 113.70 111.78 1x4n s SER 6 Ca -0.05 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.78 1x4n s SER 6 Cb -0.02 0.80 0.06 0.00 -1.71 0.00 0.00 66.02 65.15 1x4n s SER 6 CO -0.13 -0.02 0.72 -0.83 1.20 0.00 0.00 173.24 174.19 1x4n s GLY 7 N 0.80 1.81 -0.28 9.45 0.00 -1.26 -5.12 107.32 112.72 1x4n s GLY 7 Ca -0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 44.72 42.70 1x4n s GLY 7 CO -0.11 -1.58 0.54 -2.38 0.00 0.00 0.00 173.10 169.57 1x4n s HIS 8 N -2.57 -1.29 -0.27 1.90 0.00 -1.26 -5.15 115.29 106.65 1x4n s HIS 8 Ca 0.59 1.64 -0.23 0.00 -3.00 0.00 0.00 55.06 54.06 1x4n s HIS 8 Cb -0.07 0.47 0.08 0.00 -4.00 0.00 0.00 32.58 29.06 1x4n s HIS 8 CO 0.37 -0.75 0.75 -0.65 -1.00 0.00 0.00 174.74 173.45 1x4n s GLN 9 N 2.77 0.78 -0.41 -0.38 1.11 -1.26 -5.11 119.66 117.17 1x4n s GLN 9 Ca 0.11 0.99 0.04 0.00 0.01 0.00 0.00 55.36 56.52 1x4n s GLN 9 Cb -0.14 0.35 0.18 0.00 -1.01 0.00 0.00 33.01 32.38 1x4n s GLN 9 CO -0.18 -0.10 0.36 1.04 0.01 0.00 0.00 175.29 176.41 1x4n n GLN 10 N 2.91 0.25 -3.64 2.91 1.13 -1.26 -5.08 117.38 114.60 1x4n n GLN 10 Ca -0.15 -3.20 -0.03 0.00 -1.94 0.00 0.00 57.00 51.68 1x4n n GLN 10 Cb 0.56 -1.65 -0.07 0.00 0.11 0.00 0.00 30.24 29.20 1x4n n GLN 10 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1x4n s GLN 11 N -0.06 0.29 -0.13 -1.09 -2.07 -1.26 -5.15 119.66 110.19 1x4n s GLN 11 Ca 0.33 0.44 -0.00 0.00 -1.82 0.00 0.00 55.36 54.31 1x4n s GLN 11 Cb 0.05 0.09 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1x4n s GLN 11 CO -0.19 -0.05 -0.09 1.03 -1.32 0.00 0.00 175.29 174.66 1x4n s ARG 12 N 0.83 1.74 0.21 9.60 1.81 -1.26 -5.12 118.95 126.76 1x4n s ARG 12 Ca -0.04 -0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 53.51 1x4n s ARG 12 Cb -0.04 -1.75 -0.00 0.00 -0.45 0.00 0.00 34.95 32.71 1x4n s ARG 12 CO -0.12 -0.27 0.40 -1.54 -0.68 0.00 0.00 175.30 173.09 1x4n s SER 13 N 1.64 -0.05 0.02 0.23 1.04 -1.26 -5.17 113.70 110.14 1x4n s SER 13 Ca 0.05 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1x4n s SER 13 Cb -0.13 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1x4n s SER 13 CO -0.09 -1.03 -0.08 -0.69 0.98 0.00 0.00 173.24 172.33 1x4n s VAL 14 N -4.00 0.58 0.23 5.02 1.01 -1.26 -4.45 120.40 117.53 1x4n s VAL 14 Ca 0.21 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1x4n s VAL 14 Cb 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1x4n s VAL 14 CO 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.10 1x4n s MET 15 N -0.74 1.33 -0.08 2.72 0.23 -1.17 -4.92 119.30 116.66 1x4n s MET 15 Ca -0.02 -1.67 0.05 0.00 -1.03 0.00 0.00 55.69 53.02 1x4n s MET 15 Cb -0.06 -0.61 -0.01 0.00 -1.53 0.00 0.00 34.83 32.63 1x4n s MET 15 CO 0.00 -0.09 -0.23 0.99 -2.03 0.00 0.00 175.02 173.66 1x4n s THR 16 N -3.42 2.19 0.05 3.16 2.01 -1.26 -3.04 115.64 115.34 1x4n s THR 16 Ca 0.28 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.35 1x4n s THR 16 Cb 0.06 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1x4n s THR 16 CO 0.08 0.56 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.68 1x4n s GLU 17 N 0.00 1.28 -0.52 4.92 2.56 -1.13 -4.98 118.70 120.83 1x4n s GLU 17 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 54.97 53.79 1x4n s GLU 17 Cb -0.15 -1.40 0.12 0.00 2.00 0.00 0.00 34.13 34.70 1x4n s GLU 17 CO 0.05 0.35 0.45 -2.00 -0.56 0.00 0.00 175.26 173.56 1x4n s GLU 18 N -1.30 2.87 -0.22 4.30 2.12 -1.26 -2.50 118.70 122.71 1x4n s GLU 18 Ca 0.06 -1.68 -0.06 0.00 0.36 0.00 0.00 54.97 53.66 1x4n s GLU 18 Cb -0.09 -4.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.09 1x4n s GLU 18 CO 0.02 -1.26 0.02 -0.47 -0.54 0.00 0.00 175.26 173.03 1x4n s TYR 19 N 1.55 3.04 0.02 5.30 5.04 -1.02 -4.97 117.35 126.31 1x4n s TYR 19 Ca 0.04 -0.54 -0.10 0.00 -2.44 0.00 0.00 57.07 54.03 1x4n s TYR 19 Cb -0.28 -2.15 -0.05 0.00 0.35 0.00 0.00 41.96 39.82 1x4n s TYR 19 CO 0.03 -0.35 0.34 0.15 -1.34 0.00 0.00 175.55 174.38 1x4n s LYS 20 N 1.34 3.73 0.11 4.97 1.02 -1.26 -0.63 119.74 129.01 1x4n s LYS 20 Ca 0.04 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.21 1x4n s LYS 20 Cb -0.15 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1x4n s LYS 20 CO 0.01 0.64 -0.08 0.14 -0.92 0.00 0.00 175.35 175.15 1x4n s VAL 21 N -1.24 0.81 -0.20 3.17 -7.23 -0.42 -4.91 120.40 110.38 1x4n s VAL 21 Ca 0.27 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 1x4n s VAL 21 Cb -0.14 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1x4n s VAL 21 CO 0.15 -0.80 1.30 -2.16 -0.31 0.00 0.00 175.10 173.28 1x4n s PRO 22 N -3.63 4.12 0.59 4.82 0.04 -1.26 0.19 135.00 139.86 1x4n s PRO 22 Ca 0.11 1.56 0.29 0.00 0.04 0.00 0.00 61.00 63.00 1x4n s PRO 22 Cb 0.03 -3.82 1.49 0.00 0.04 0.00 0.00 34.50 32.25 1x4n s PRO 22 CO -0.03 -0.86 1.91 0.22 0.04 0.00 0.00 177.00 178.28 1x4n h ASP 23 N 8.67 0.00 0.25 6.66 1.82 -1.87 1.60 116.42 133.55 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 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1x4n h ASP 23 CO 0.99 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 179.23 1x4n n GLY 24 N -1.48 -0.89 0.00 -0.78 0.00 -1.26 -3.55 105.19 97.24 1x4n n GLY 24 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.17 0.01 -0.30 1.61 2.81 0.50 -4.76 117.12 115.82 1x4n n MET 25 Ca 0.13 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.04 1x4n n MET 25 Cb 0.13 -0.86 0.09 0.00 -0.71 0.00 0.00 33.22 31.88 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 0.14 -1.01 2.03 3.04 -0.36 1.83 116.25 121.92 1x4n h VAL 26 Ca 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 65.96 1x4n h VAL 26 Cb 0.71 0.14 -0.06 0.00 -2.01 0.00 0.00 31.29 30.07 1x4n h VAL 26 CO 0.00 0.00 0.69 1.23 -1.01 0.00 0.00 177.57 178.48 1x4n h GLY 27 N -0.02 0.57 0.95 3.17 0.00 -1.82 0.60 103.07 106.52 1x4n h GLY 27 Ca 0.38 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1x4n h GLY 27 CO -0.86 -0.05 -1.22 0.33 0.00 0.00 0.00 176.54 174.74 1x4n n PHE 28 N -4.41 0.94 -0.22 5.60 7.35 0.56 -4.00 117.46 123.28 1x4n n PHE 28 Ca 0.22 0.29 -0.08 0.00 -0.76 0.00 0.00 57.45 57.13 1x4n n PHE 28 Cb 0.95 -1.00 0.03 0.00 0.35 0.00 0.00 39.48 39.80 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 1.24 0.00 -2.13 2.04 0.59 -3.25 117.51 115.99 1x4n h ILE 29 Ca -0.08 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1x4n h ILE 29 Cb 1.26 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1x4n h ILE 29 CO 0.02 0.30 0.00 -0.38 0.00 0.00 0.00 178.15 178.09 1x4n n ILE 30 N -4.41 0.00 0.00 -0.67 5.41 -0.57 -1.93 119.36 117.19 1x4n n ILE 30 Ca 0.04 1.37 0.00 0.00 1.00 0.00 0.00 62.75 65.16 1x4n n ILE 30 Cb 0.19 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 36.83 1x4n n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4n n GLY 31 N -0.89 2.69 0.34 7.39 0.00 -1.23 -1.02 105.19 112.48 1x4n n GLY 31 Ca 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.79 -0.08 -1.02 1.61 5.12 -1.26 -1.52 116.66 118.72 1x4n n ARG 32 Ca 0.00 1.49 0.05 0.00 -1.93 0.00 0.00 57.85 57.46 1x4n n ARG 32 Cb 0.00 -2.28 0.09 0.00 -1.16 0.00 0.00 32.46 29.11 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 -1.56 2.70 2.29 -0.13 0.00 -1.26 -4.95 105.19 102.28 1x4n n GLY 33 Ca 0.19 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.24 0.02 0.09 -0.02 0.00 -0.58 -4.91 105.19 99.55 1x4n n GLY 34 Ca 0.11 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.20 0.57 0.02 1.61 2.13 -1.11 -2.96 120.64 118.72 1x4n n GLU 35 Ca -0.09 0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 1x4n n GLU 35 Cb 0.58 -1.76 -0.01 0.00 0.27 0.00 0.00 31.44 30.52 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 0.55 0.15 5.31 5.75 -1.27 -2.84 115.11 122.77 1x4n h GLN 36 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 58.65 57.76 1x4n h GLN 36 Cb 0.97 0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.62 1x4n h GLN 36 CO 0.00 1.08 -1.33 0.97 -2.65 0.00 0.00 178.83 176.90 1x4n h ILE 37 N 0.38 1.41 -0.12 2.39 6.09 -0.60 -3.30 117.51 123.76 1x4n h ILE 37 Ca -0.04 -2.96 0.05 0.00 -1.37 0.00 0.00 64.86 60.53 1x4n h ILE 37 Cb 1.34 2.94 -0.06 0.00 0.47 0.00 0.00 36.82 41.52 1x4n h ILE 37 CO 0.14 0.87 -0.25 -1.28 -3.07 0.00 0.00 178.15 174.56 1x4n h SER 38 N 0.09 -0.78 -0.82 2.19 0.87 -1.53 0.34 113.55 113.91 1x4n h SER 38 Ca -0.17 0.12 0.22 0.00 -1.23 0.00 0.00 61.79 60.73 1x4n h SER 38 Cb 2.02 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 64.28 1x4n h SER 38 CO 0.21 -0.30 0.58 -0.09 -0.53 0.00 0.00 176.83 176.70 1x4n h ARG 39 N -0.33 0.10 0.05 2.24 2.43 -1.61 0.66 114.38 117.93 1x4n h ARG 39 Ca 0.10 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.99 1x4n h ARG 39 Cb 0.47 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1x4n h ARG 39 CO -0.30 0.07 -1.11 0.82 -1.51 0.00 0.00 179.97 177.93 1x4n h ILE 40 N 0.10 1.32 -0.23 1.20 2.04 -0.79 0.42 117.51 121.57 1x4n h ILE 40 Ca 0.40 -2.42 -0.12 0.00 1.00 0.00 0.00 64.86 63.73 1x4n h ILE 40 Cb 1.42 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 1x4n h ILE 40 CO -0.05 0.74 -0.34 1.56 0.00 0.00 0.00 178.15 180.05 1x4n h GLN 41 N 0.30 0.50 0.16 2.37 4.20 0.34 -1.95 115.11 121.03 1x4n h GLN 41 Ca -0.14 -0.23 -0.32 0.00 0.06 0.00 0.00 58.65 58.03 1x4n h GLN 41 Cb 1.77 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.55 1x4n h GLN 41 CO 0.21 0.78 -1.52 1.96 -0.67 0.00 0.00 178.83 179.60 1x4n h GLN 42 N 0.43 0.34 0.32 1.46 4.20 0.06 0.45 115.11 122.36 1x4n h GLN 42 Ca 0.05 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 1x4n h GLN 42 Cb 0.80 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 1x4n h GLN 42 CO 0.07 1.23 -0.28 0.93 -0.67 0.00 0.00 178.83 180.11 1x4n h GLU 43 N 0.09 -0.59 0.00 1.46 4.39 -0.07 -2.86 114.58 116.99 1x4n h GLU 43 Ca -0.25 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1x4n h GLU 43 Cb 2.05 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1x4n h GLU 43 CO 0.19 -0.40 -0.76 0.66 -1.16 0.00 0.00 179.01 177.55 1x4n h SER 44 N -0.62 0.00 -1.02 1.42 4.64 -1.50 -3.48 113.55 113.00 1x4n h SER 44 Ca -0.02 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.08 1x4n h SER 44 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1x4n h SER 44 CO -0.03 0.01 -0.22 0.61 -0.87 0.00 0.00 176.83 176.33 1x4n n GLY 45 N 1.19 0.38 3.69 -0.77 0.00 0.15 -4.64 105.19 105.18 1x4n n GLY 45 Ca 0.01 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.33 4.04 -0.24 0.00 2.20 -0.56 -4.38 119.74 117.47 1x4n s LYS 47 Ca 0.30 0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1x4n s LYS 47 Cb -0.08 -2.92 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 1x4n s LYS 47 CO 0.20 0.46 0.07 0.42 -0.36 0.00 0.00 175.35 176.15 1x4n s ILE 48 N -1.47 0.45 -0.40 5.43 1.01 -1.26 -2.50 121.20 122.46 1x4n s ILE 48 Ca 0.39 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1x4n s ILE 48 Cb -0.15 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1x4n s ILE 48 CO 0.19 -0.42 0.24 -1.10 0.00 0.00 0.00 174.94 173.86 1x4n s GLN 49 N 1.87 2.79 -0.20 2.79 -0.21 0.55 -4.94 119.66 122.31 1x4n s GLN 49 Ca 0.04 -1.19 -0.07 0.00 0.02 0.00 0.00 55.36 54.15 1x4n s GLN 49 Cb -0.17 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1x4n s GLN 49 CO -0.17 -0.80 0.06 0.42 -2.12 0.00 0.00 175.29 172.68 1x4n s ILE 50 N 1.54 4.63 0.81 1.08 1.01 -1.26 -0.15 121.20 128.85 1x4n s ILE 50 Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1x4n s ILE 50 Cb -0.21 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.24 1x4n s ILE 50 CO 0.06 0.42 1.13 0.00 0.00 0.00 0.00 174.94 176.54 1x4n s ALA 51 N 0.75 1.99 -0.04 9.38 0.00 -1.23 -5.00 121.76 127.61 1x4n s ALA 51 Ca 0.03 0.48 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 1x4n s ALA 51 Cb -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1x4n s ALA 51 CO 0.02 -2.08 0.34 -1.00 0.00 0.00 0.00 175.76 173.04 1x4n h PRO 52 N -1.19 -0.20 -6.15 0.00 0.13 -1.98 -3.45 132.00 119.16 1x4n h PRO 52 Ca -0.44 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.11 1x4n h PRO 52 Cb 1.25 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1x4n h PRO 52 CO 0.48 -0.13 -0.11 -0.51 -0.23 0.00 0.00 178.00 177.49 1x4n s ASP 53 N -4.21 6.93 -0.20 1.44 1.11 -1.26 -4.96 116.67 115.53 1x4n s ASP 53 Ca -0.03 1.11 0.07 0.00 0.18 0.00 0.00 52.55 53.89 1x4n s ASP 53 Cb 0.00 -2.30 0.51 0.00 1.07 0.00 0.00 42.92 42.20 1x4n s ASP 53 CO 0.09 0.28 1.41 -1.54 1.18 0.00 0.00 175.17 176.59 1x4n n SER 54 N 1.67 3.94 0.00 0.27 3.41 -1.26 -4.96 113.62 116.69 1x4n n SER 54 Ca -0.11 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1x4n n SER 54 Cb 0.51 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.11 0.33 0.85 5.00 0.00 -1.26 -0.76 105.19 109.47 1x4n n GLY 55 Ca 0.25 0.39 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 0.71 3.93 -0.02 0.00 -1.26 -5.13 105.19 103.42 1x4n n GLY 56 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 4.30 0.22 0.99 2.01 0.06 -5.01 118.68 121.24 1x4n s LEU 57 Ca 0.03 0.16 0.09 0.00 0.01 0.00 0.00 54.13 54.43 1x4n s LEU 57 Cb 0.04 -2.88 0.17 0.00 0.01 0.00 0.00 46.19 43.52 1x4n s LEU 57 CO -0.02 0.07 1.50 1.55 1.01 0.00 0.00 176.35 180.46 1x4n h PRO 58 N 2.28 0.00 -6.27 1.29 0.13 -1.95 -3.44 132.00 124.04 1x4n h PRO 58 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 1x4n h PRO 58 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1x4n h PRO 58 CO 0.69 0.74 -0.74 -1.21 -0.23 0.00 0.00 178.00 177.26 1x4n s GLU 59 N -3.30 2.57 -0.15 0.86 8.01 -1.26 -2.86 118.70 122.57 1x4n s GLU 59 Ca -0.00 -0.66 -0.21 0.00 0.01 0.00 0.00 54.97 54.10 1x4n s GLU 59 Cb 0.12 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.45 1x4n s GLU 59 CO 0.78 0.63 0.62 0.50 0.01 0.00 0.00 175.26 177.80 1x4n s ARG 60 N -0.88 4.29 0.21 1.61 6.06 0.49 -4.72 118.95 126.01 1x4n s ARG 60 Ca 0.13 0.65 -0.30 0.00 -2.50 0.00 0.00 55.73 53.71 1x4n s ARG 60 Cb -0.11 -3.52 -0.08 0.00 0.06 0.00 0.00 34.95 31.29 1x4n s ARG 60 CO 0.02 -0.11 1.15 0.45 -2.50 0.00 0.00 175.30 174.31 1x4n s SER 61 N 1.01 7.17 -0.12 -2.12 0.15 -1.26 -1.30 113.70 117.23 1x4n s SER 61 Ca 0.30 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 59.17 1x4n s SER 61 Cb -0.16 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1x4n s SER 61 CO 0.12 -0.28 -0.05 0.00 1.20 0.00 0.00 173.24 174.23 1x4n s MET 63 N 1.74 4.09 0.02 0.00 -1.94 0.79 -2.44 119.30 121.56 1x4n s MET 63 Ca 0.04 0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 54.74 1x4n s MET 63 Cb -0.13 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 1x4n s MET 63 CO -0.08 -0.56 0.15 -0.51 -0.01 0.00 0.00 175.02 174.02 1x4n s LEU 64 N 2.82 4.19 -0.08 -0.03 1.02 -1.04 -0.33 118.68 125.23 1x4n s LEU 64 Ca 0.32 0.24 -0.04 0.00 0.02 0.00 0.00 54.13 54.67 1x4n s LEU 64 Cb -0.15 -2.61 0.04 0.00 0.02 0.00 0.00 46.19 43.49 1x4n s LEU 64 CO 0.09 0.23 0.18 -0.89 0.02 0.00 0.00 176.35 175.98 1x4n s THR 65 N -1.35 -0.09 -5.00 5.49 2.01 -1.04 -2.82 115.64 112.84 1x4n s THR 65 Ca 0.29 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1x4n s THR 65 Cb -0.13 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x4n s THR 65 CO 0.20 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1x4n n GLY 66 N 4.39 0.55 3.35 4.40 0.00 -1.17 -1.49 105.19 115.22 1x4n n GLY 66 Ca -0.23 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 0.06 2.61 -2.24 -1.26 -3.05 114.28 119.39 1x4n n THR 67 Ca 0.00 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1x4n n THR 67 Cb 0.00 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.63 0.43 0.00 -0.78 0.13 -1.95 -2.41 132.00 125.79 1x4n h PRO 68 Ca -0.46 -0.42 -0.11 0.00 -0.87 0.00 0.00 66.00 64.14 1x4n h PRO 68 Cb 1.30 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 1x4n h PRO 68 CO 0.34 1.07 -0.54 0.93 -0.23 0.00 0.00 178.00 179.57 1x4n h GLU 69 N 0.26 0.00 -0.14 0.86 3.07 -1.99 -2.83 114.58 113.81 1x4n h GLU 69 Ca -0.06 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 1x4n h GLU 69 Cb 1.48 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1x4n h GLU 69 CO 0.15 0.54 -0.57 0.77 -1.40 0.00 0.00 179.01 178.50 1x4n h SER 70 N 0.00 0.75 0.01 1.42 0.02 -1.81 -1.71 113.55 112.22 1x4n h SER 70 Ca -0.01 -0.62 0.02 0.00 -0.84 0.00 0.00 61.79 60.35 1x4n h SER 70 Cb 1.04 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1x4n h SER 70 CO 0.07 1.24 -0.14 0.58 -1.14 0.00 0.00 176.83 177.44 1x4n h VAL 71 N 0.30 0.65 -0.20 2.27 2.07 -1.35 0.24 116.25 120.24 1x4n h VAL 71 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1x4n h VAL 71 Cb 1.20 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1x4n h VAL 71 CO 0.12 0.00 0.08 1.56 0.02 0.00 0.00 177.57 179.35 1x4n h GLN 72 N -0.24 0.17 -0.26 1.57 4.20 -1.54 0.78 115.11 119.80 1x4n h GLN 72 Ca 0.05 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1x4n h GLN 72 Cb 0.30 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1x4n h GLN 72 CO -0.13 0.12 -0.12 0.77 -0.67 0.00 0.00 178.83 178.79 1x4n h SER 73 N 0.18 -0.40 -0.42 1.46 0.02 -0.84 0.68 113.55 114.22 1x4n h SER 73 Ca 0.08 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1x4n h SER 73 Cb 0.04 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1x4n h SER 73 CO -0.08 -0.15 0.12 0.00 -1.14 0.00 0.00 176.83 175.58 1x4n h ALA 74 N 1.14 0.56 -0.84 3.77 0.00 -0.14 -1.87 119.26 121.88 1x4n h ALA 74 Ca 0.14 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1x4n h ALA 74 Cb 0.29 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1x4n h ALA 74 CO -0.32 0.22 0.35 0.87 0.00 0.00 0.00 179.25 180.38 1x4n h LYS 75 N 0.54 0.42 0.25 0.00 1.57 0.16 0.37 116.57 119.88 1x4n h LYS 75 Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1x4n h LYS 75 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x4n h LYS 75 CO -0.00 0.28 -0.12 0.00 -0.57 0.00 0.00 179.45 179.03 1x4n h ARG 76 N 0.43 -0.33 -0.75 3.15 2.47 -0.46 0.40 114.38 119.30 1x4n h ARG 76 Ca 0.49 0.02 0.19 0.00 -1.26 0.00 0.00 59.98 59.43 1x4n h ARG 76 Cb 0.85 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.21 1x4n h ARG 76 CO -0.47 -0.06 0.52 -0.07 0.56 0.00 0.00 179.97 180.45 1x4n h LEU 77 N -0.57 0.14 0.04 3.04 3.38 -0.34 0.53 115.31 121.53 1x4n h LEU 77 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x4n h LEU 77 Cb 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1x4n h LEU 77 CO 0.06 0.06 -0.02 -0.07 0.09 0.00 0.00 178.44 178.56 1x4n h LEU 78 N 0.15 -0.04 -1.00 1.67 3.38 0.09 -3.16 115.31 116.41 1x4n h LEU 78 Ca 0.37 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.70 1x4n h LEU 78 Cb 1.23 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 1x4n h LEU 78 CO -0.06 0.06 0.52 -0.78 0.09 0.00 0.00 178.44 178.28 1x4n h ASP 79 N -0.24 0.36 0.05 -0.43 1.82 0.14 0.24 116.42 118.37 1x4n h ASP 79 Ca -0.01 0.23 0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1x4n h ASP 79 Cb 0.04 0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 1x4n h ASP 79 CO 0.01 -0.29 -0.48 1.56 -1.61 0.00 0.00 179.24 178.42 1x4n h GLN 80 N 0.15 -0.62 -0.97 0.28 7.50 -0.04 -1.02 115.11 120.39 1x4n h GLN 80 Ca 0.78 0.04 0.10 0.00 0.50 0.00 0.00 58.65 60.07 1x4n h GLN 80 Cb 1.91 0.14 -0.13 0.00 0.05 0.00 0.00 27.48 29.46 1x4n h GLN 80 CO -0.70 -0.41 -0.55 0.82 -1.50 0.00 0.00 178.83 176.49 1x4n h ILE 81 N -0.64 0.00 -0.45 2.54 2.04 -0.48 1.54 117.51 122.06 1x4n h ILE 81 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1x4n h ILE 81 Cb 0.67 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1x4n h ILE 81 CO -0.30 0.00 -0.52 0.58 0.00 0.00 0.00 178.15 177.91 1x4n h VAL 82 N -0.02 0.00 0.29 1.67 2.07 -1.23 0.27 116.25 119.29 1x4n h VAL 82 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1x4n h VAL 82 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1x4n h VAL 82 CO -0.93 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 176.22 1x4n h GLU 83 N -0.32 -0.68 -1.60 1.57 4.81 0.62 0.37 114.58 119.35 1x4n h GLU 83 Ca 0.08 0.05 0.47 0.00 -0.13 0.00 0.00 59.36 59.82 1x4n h GLU 83 Cb 0.53 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 1x4n h GLU 83 CO -0.59 -0.45 1.15 0.87 -0.73 0.00 0.00 179.01 179.26 1x4n h LYS 84 N -0.70 0.00 -1.32 1.92 1.79 0.30 1.00 116.57 119.56 1x4n h LYS 84 Ca -0.01 -0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.86 1x4n h LYS 84 Cb 0.66 -0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.91 1x4n h LYS 84 CO -0.11 0.00 -0.52 0.41 -1.08 0.00 0.00 179.45 178.16 1x4n n GLY 85 N -1.85 6.08 1.67 3.86 0.00 0.84 -4.99 105.19 110.80 1x4n n GLY 85 Ca 0.36 -2.69 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.57 1.02 0.00 1.61 1.74 0.34 -4.90 116.66 115.90 1x4n n ARG 86 Ca 0.43 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1x4n n ARG 86 Cb 0.71 0.74 0.00 0.00 -1.02 0.00 0.00 32.46 32.89 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 -1.54 0.00 0.00 0.55 7.64 -1.26 -4.62 113.62 114.38 1x4n n SER 87 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1x4n n SER 87 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.00 3.75 0.11 0.23 0.00 -1.26 -5.03 105.19 102.99 1x4n n GLY 88 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1x4n n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n h PRO 89 N 0.00 0.01 0.00 1.61 0.13 -1.98 -3.47 132.00 128.30 1x4n h PRO 89 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1x4n h PRO 89 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4n h PRO 89 CO 0.00 0.76 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 1x4n n SER 90 N -3.65 0.00 -3.88 1.44 7.64 -1.26 -3.97 113.62 109.94 1x4n n SER 90 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 1x4n n SER 90 Cb 0.73 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.78 1x4n n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4n s SER 91 N -4.00 4.40 0.00 6.43 0.01 -1.26 -5.27 113.70 114.01 1x4n s SER 91 Ca 0.00 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1x4n s SER 91 Cb 0.00 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1x4n s SER 91 CO 0.00 -0.40 0.35 0.61 0.41 0.00 0.00 173.24 174.22