#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g n LYS 3 N 0.00 1.71 -0.26 0.54 5.02 -1.26 -4.91 118.16 119.00 3f1g n LYS 3 Ca 0.00 -0.94 -0.10 0.00 -2.02 0.00 0.00 58.31 55.25 3f1g n LYS 3 Cb 0.00 -2.02 -0.01 0.00 -0.02 0.00 0.00 35.03 32.98 3f1g n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3f1g n LYS 4 N 2.94 0.00 -3.80 1.97 4.81 -1.26 -2.70 118.16 120.11 3f1g n LYS 4 Ca 0.37 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.49 3f1g n LYS 4 Cb 0.55 -0.24 -0.05 0.00 0.02 0.00 0.00 35.03 35.31 3f1g n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3f1g s VAL 5 N 0.17 5.30 0.27 3.15 1.01 -1.26 -3.19 120.40 125.84 3f1g s VAL 5 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3f1g s VAL 5 Cb -0.22 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3f1g s VAL 5 CO 0.11 0.16 0.05 0.18 0.00 0.00 0.00 175.10 175.60 3f1g n LEU 6 N 0.43 0.00 -3.69 3.92 4.77 -0.95 -4.96 117.00 116.52 3f1g n LEU 6 Ca -0.06 -1.87 -0.12 0.00 -0.03 0.00 0.00 56.01 53.94 3f1g n LEU 6 Cb 0.52 0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 41.93 3f1g n LEU 6 CO 0.48 -0.28 -0.08 0.42 -1.33 0.00 0.00 177.39 176.61 3f1g s THR 7 N -2.30 -0.25 0.29 -5.08 -4.23 -1.26 -2.08 115.64 100.73 3f1g s THR 7 Ca 0.07 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.57 3f1g s THR 7 Cb 0.00 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.40 3f1g s THR 7 CO 0.05 0.08 0.76 -0.83 -0.54 0.00 0.00 174.62 174.14 3f1g s GLY 8 N 1.88 -0.01 -0.11 3.99 0.00 -0.41 -4.64 107.32 108.02 3f1g s GLY 8 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 3f1g s GLY 8 CO -0.10 -0.08 0.29 -1.34 0.00 0.00 0.00 173.10 171.87 3f1g s VAL 9 N -3.53 5.28 0.00 1.40 -7.23 -1.01 -0.67 120.40 114.65 3f1g s VAL 9 Ca 0.12 0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 3f1g s VAL 9 Cb -0.05 -3.60 -0.07 0.00 0.56 0.00 0.00 36.38 33.21 3f1g s VAL 9 CO 0.07 0.49 1.76 -0.69 -0.31 0.00 0.00 175.10 176.43 3f1g s VAL 10 N -0.27 3.27 -0.32 1.32 1.01 -0.43 -2.20 120.40 122.78 3f1g s VAL 10 Ca 0.18 0.42 0.13 0.00 0.00 0.00 0.00 61.98 62.71 3f1g s VAL 10 Cb -0.14 -3.27 -0.17 0.00 0.00 0.00 0.00 36.38 32.80 3f1g s VAL 10 CO 0.06 -0.03 0.42 0.55 0.00 0.00 0.00 175.10 176.11 3f1g n VAL 11 N 5.35 0.00 -3.78 2.92 3.14 -0.28 -2.09 118.33 123.60 3f1g n VAL 11 Ca 0.18 -0.25 -0.13 0.00 -2.96 0.00 0.00 64.34 61.18 3f1g n VAL 11 Cb 0.42 0.60 -0.12 0.00 -1.06 0.00 0.00 33.84 33.68 3f1g n VAL 11 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3f1g s SER 12 N -2.87 -0.23 -0.00 6.55 0.15 -1.22 -4.98 113.70 111.09 3f1g s SER 12 Ca 0.00 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.11 3f1g s SER 12 Cb 0.09 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3f1g s SER 12 CO 0.54 -0.10 0.69 -0.90 1.20 0.00 0.00 173.24 174.67 3f1g n ASP 13 N 3.37 0.24 -1.70 5.45 5.75 -1.26 -1.29 116.55 127.11 3f1g n ASP 13 Ca -0.17 -1.41 -0.03 0.00 -0.01 0.00 0.00 54.79 53.17 3f1g n ASP 13 Cb 0.57 -0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 3f1g n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3f1g n LYS 14 N -0.09 1.16 -3.82 0.11 4.01 -1.26 -4.79 118.16 113.48 3f1g n LYS 14 Ca 0.01 -0.27 -0.12 0.00 -0.51 0.00 0.00 58.31 57.42 3f1g n LYS 14 Cb 0.54 -1.32 -0.09 0.00 -0.51 0.00 0.00 35.03 33.65 3f1g n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3f1g s MET 15 N 0.52 0.64 0.02 1.97 -1.94 -1.26 -5.12 119.30 114.12 3f1g s MET 15 Ca 0.18 -0.41 -0.30 0.00 -1.71 0.00 0.00 55.69 53.44 3f1g s MET 15 Cb 0.09 0.27 -0.06 0.00 2.01 0.00 0.00 34.83 37.14 3f1g s MET 15 CO 0.00 -0.18 1.35 -0.65 -0.01 0.00 0.00 175.02 175.54 3f1g s GLN 16 N -1.83 4.32 -1.44 2.03 -0.21 -1.26 -3.60 119.66 117.66 3f1g s GLN 16 Ca -0.11 1.93 0.00 0.00 0.02 0.00 0.00 55.36 57.20 3f1g s GLN 16 Cb -0.04 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.48 3f1g s GLN 16 CO 0.00 -0.49 0.00 1.63 -2.12 0.00 0.00 175.29 174.31 3f1g n LYS 17 N 4.91 -1.55 -3.99 2.91 5.02 -1.26 -4.88 118.16 119.32 3f1g n LYS 17 Ca 0.12 0.81 -0.08 0.00 -2.02 0.00 0.00 58.31 57.14 3f1g n LYS 17 Cb 0.44 -5.18 -0.09 0.00 -0.02 0.00 0.00 35.03 30.18 3f1g n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3f1g s THR 18 N -2.37 0.17 -0.03 -0.18 2.01 -1.24 -1.66 115.64 112.34 3f1g s THR 18 Ca 0.00 -1.43 -0.15 0.00 0.31 0.00 0.00 61.69 60.43 3f1g s THR 18 Cb 0.00 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.29 3f1g s THR 18 CO 0.00 -0.79 0.32 0.68 -0.69 0.00 0.00 174.62 174.14 3f1g s VAL 19 N -3.43 0.05 -0.17 3.82 -7.23 -0.10 -4.44 120.40 108.89 3f1g s VAL 19 Ca 0.02 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 3f1g s VAL 19 Cb 0.04 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 3f1g s VAL 19 CO -0.08 -0.22 0.24 -0.89 -0.31 0.00 0.00 175.10 173.83 3f1g s THR 20 N -1.14 5.34 -0.11 5.32 2.01 -0.41 0.13 115.64 126.77 3f1g s THR 20 Ca -0.12 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.34 3f1g s THR 20 Cb -0.05 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.90 3f1g s THR 20 CO 0.04 0.42 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 3f1g s VAL 21 N 0.33 1.45 -0.24 3.82 1.01 0.20 -1.12 120.40 125.85 3f1g s VAL 21 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3f1g s VAL 21 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3f1g s VAL 21 CO 0.02 0.43 0.15 -0.22 0.00 0.00 0.00 175.10 175.49 3f1g s LEU 22 N 1.06 4.07 -0.04 3.92 2.96 -0.94 -0.50 118.68 129.22 3f1g s LEU 22 Ca -0.05 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3f1g s LEU 22 Cb -0.15 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.46 3f1g s LEU 22 CO -0.02 0.07 -0.10 0.68 -1.32 0.00 0.00 176.35 175.65 3f1g s VAL 23 N 1.05 0.92 0.36 1.68 -7.23 -0.58 -2.39 120.40 114.20 3f1g s VAL 23 Ca 0.07 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.87 3f1g s VAL 23 Cb -0.14 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 3f1g s VAL 23 CO 0.04 0.29 0.52 -1.61 -0.31 0.00 0.00 175.10 174.03 3f1g s GLU 24 N 0.34 3.18 -0.22 4.82 2.02 -1.26 -1.56 118.70 126.01 3f1g s GLU 24 Ca -0.06 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 3f1g s GLU 24 Cb -0.11 -2.74 0.11 0.00 0.10 0.00 0.00 34.13 31.48 3f1g s GLU 24 CO 0.01 0.02 0.44 -0.98 0.02 0.00 0.00 175.26 174.78 3f1g s ARG 25 N -4.27 0.36 0.73 1.61 1.70 0.11 -4.95 118.95 114.24 3f1g s ARG 25 Ca 0.44 0.98 -0.09 0.00 -0.47 0.00 0.00 55.73 56.59 3f1g s ARG 25 Cb -0.10 0.24 0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3f1g s ARG 25 CO 0.33 -0.34 1.07 1.14 -1.08 0.00 0.00 175.30 176.43 3f1g s GLN 26 N 2.64 2.23 0.00 3.89 -2.07 -1.26 -2.26 119.66 122.83 3f1g s GLN 26 Ca 0.02 -0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3f1g s GLN 26 Cb -0.13 -2.08 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 3f1g s GLN 26 CO -0.14 -1.31 0.00 1.97 -1.32 0.00 0.00 175.29 174.49 3f1g n PHE 27 N -3.05 0.00 -2.12 9.60 1.16 -0.44 -4.96 117.46 117.66 3f1g n PHE 27 Ca 0.08 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.24 3f1g n PHE 27 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 3f1g n PHE 27 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 3f1g s PRO 28 N -2.00 4.31 0.26 3.97 0.02 -1.26 -2.21 135.00 138.09 3f1g s PRO 28 Ca 0.00 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 3f1g s PRO 28 Cb 0.00 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.22 3f1g s PRO 28 CO 0.00 -0.42 1.41 -1.58 -0.33 0.00 0.00 177.00 176.08 3f1g s HIS 29 N 0.71 3.04 -1.33 6.54 2.46 0.02 -4.87 115.29 121.86 3f1g s HIS 29 Ca 0.63 1.11 0.00 0.00 0.47 0.00 0.00 55.06 57.27 3f1g s HIS 29 Cb -0.39 -3.78 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 3f1g s HIS 29 CO 0.34 -2.46 0.78 -0.35 -2.47 0.00 0.00 174.74 170.57 3f1g n PRO 30 N 2.06 0.00 0.00 2.88 -0.04 -1.26 -1.50 135.00 137.15 3f1g n PRO 30 Ca 0.05 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3f1g n PRO 30 Cb 0.41 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3f1g n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3f1g n LEU 31 N -1.28 0.00 -0.03 1.53 7.94 -1.26 -4.89 117.00 119.01 3f1g n LEU 31 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3f1g n LEU 31 Cb 0.01 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.98 3f1g n LEU 31 CO 0.00 0.00 0.45 -1.22 -1.11 0.00 0.00 177.39 175.51 3f1g n TYR 32 N -0.23 0.00 0.00 1.96 0.53 -1.21 -5.03 117.16 113.18 3f1g n TYR 32 Ca 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 57.90 56.43 3f1g n TYR 32 Cb 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.26 3f1g n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3f1g n GLY 33 N -0.51 0.57 2.49 2.72 0.00 -0.56 -4.83 105.19 105.07 3f1g n GLY 33 Ca 0.02 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3f1g n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1g n LYS 34 N 0.00 0.00 -1.46 1.61 4.81 -1.26 -1.49 118.16 120.37 3f1g n LYS 34 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3f1g n LYS 34 Cb 0.00 -0.75 -0.03 0.00 0.02 0.00 0.00 35.03 34.27 3f1g n LYS 34 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3f1g n VAL 35 N -0.49 4.47 -0.77 3.15 0.31 -1.26 -0.80 118.33 122.95 3f1g n VAL 35 Ca 0.10 -2.95 -0.32 0.00 -0.01 0.00 0.00 64.34 61.16 3f1g n VAL 35 Cb 0.26 -2.45 0.14 0.00 -0.91 0.00 0.00 33.84 30.88 3f1g n VAL 35 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3f1g n ILE 36 N 3.06 0.15 -4.42 2.52 -5.35 -0.94 -4.40 119.36 109.98 3f1g n ILE 36 Ca 0.73 -0.11 -0.19 0.00 -0.27 0.00 0.00 62.75 62.91 3f1g n ILE 36 Cb 0.27 -0.83 -0.14 0.00 -1.74 0.00 0.00 39.64 37.19 3f1g n ILE 36 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3f1g s LYS 37 N -4.11 0.86 0.20 6.28 1.02 -1.26 -1.32 119.74 121.40 3f1g s LYS 37 Ca 0.63 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.16 3f1g s LYS 37 Cb -0.23 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 3f1g s LYS 37 CO 0.62 0.22 0.08 1.03 -0.92 0.00 0.00 175.35 176.38 3f1g s ARG 38 N -0.47 1.18 0.20 1.68 3.00 -0.96 -4.96 118.95 118.63 3f1g s ARG 38 Ca 0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 55.73 54.12 3f1g s ARG 38 Cb -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 34.95 34.87 3f1g s ARG 38 CO -0.00 -0.28 0.19 -1.54 0.00 0.00 0.00 175.30 173.66 3f1g s SER 39 N -3.18 0.12 -0.08 0.23 1.04 -1.26 0.07 113.70 110.63 3f1g s SER 39 Ca 0.32 -1.29 -0.24 0.00 0.48 0.00 0.00 55.95 55.22 3f1g s SER 39 Cb 0.07 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.66 3f1g s SER 39 CO 0.09 -0.88 0.57 -0.75 0.98 0.00 0.00 173.24 173.24 3f1g s LYS 40 N -4.13 0.87 -0.22 4.02 2.20 -0.60 -4.98 119.74 116.90 3f1g s LYS 40 Ca 0.35 0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 56.16 3f1g s LYS 40 Cb 0.06 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 3f1g s LYS 40 CO 0.11 -0.23 0.10 0.15 -0.36 0.00 0.00 175.35 175.12 3f1g s LYS 41 N -0.85 3.93 0.01 4.03 1.02 -1.26 -1.53 119.74 125.09 3f1g s LYS 41 Ca -0.09 -0.35 0.04 0.00 0.02 0.00 0.00 55.97 55.59 3f1g s LYS 41 Cb -0.02 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3f1g s LYS 41 CO 0.06 0.07 -0.07 0.71 -0.92 0.00 0.00 175.35 175.20 3f1g s TYR 42 N 0.97 2.87 -0.34 3.18 1.51 0.35 -4.92 117.35 120.96 3f1g s TYR 42 Ca 0.05 -0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.87 3f1g s TYR 42 Cb -0.14 -1.59 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 3f1g s TYR 42 CO 0.03 0.37 0.59 -0.51 -1.11 0.00 0.00 175.55 174.93 3f1g s LEU 43 N -1.47 4.26 -0.11 -1.29 1.02 -1.26 0.59 118.68 120.43 3f1g s LEU 43 Ca 0.17 0.15 -0.09 0.00 0.02 0.00 0.00 54.13 54.38 3f1g s LEU 43 Cb -0.11 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.33 3f1g s LEU 43 CO 0.08 -0.53 0.20 0.00 0.02 0.00 0.00 176.35 176.11 3f1g s ALA 44 N 2.58 3.81 -0.51 4.21 0.00 0.34 -4.04 121.76 128.15 3f1g s ALA 44 Ca 0.23 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 3f1g s ALA 44 Cb -0.15 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.91 3f1g s ALA 44 CO 0.14 0.52 1.07 -1.58 0.00 0.00 0.00 175.76 175.90 3f1g s HIS 45 N -0.81 2.78 -0.60 0.00 2.46 -0.41 -0.93 115.29 117.78 3f1g s HIS 45 Ca 0.16 0.43 -0.06 0.00 0.47 0.00 0.00 55.06 56.06 3f1g s HIS 45 Cb -0.13 -4.28 0.16 0.00 -0.13 0.00 0.00 32.58 28.19 3f1g s HIS 45 CO 0.05 -1.33 0.45 0.34 -2.47 0.00 0.00 174.74 171.78 3f1g s ASP 46 N 2.60 5.59 0.47 9.88 3.68 -0.67 -3.29 116.67 134.94 3f1g s ASP 46 Ca 0.41 -2.53 0.23 0.00 2.13 0.00 0.00 52.55 52.79 3f1g s ASP 46 Cb -0.09 -1.94 1.14 0.00 -1.45 0.00 0.00 42.92 40.58 3f1g s ASP 46 CO 0.27 -0.49 1.95 1.55 0.13 0.00 0.00 175.17 178.58 3f1g h PRO 47 N 7.57 0.00 0.00 4.34 0.13 -1.94 -2.77 132.00 139.34 3f1g h PRO 47 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3f1g h PRO 47 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3f1g h PRO 47 CO 0.75 0.21 -1.39 0.39 -0.23 0.00 0.00 178.00 177.73 3f1g n GLU 48 N -3.66 0.38 -3.67 0.86 1.02 -1.26 -4.92 120.64 109.39 3f1g n GLU 48 Ca -0.01 -0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.82 3f1g n GLU 48 Cb 0.33 -1.56 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3f1g n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f1g n GLU 49 N -2.01 -6.78 0.09 3.49 1.02 -1.04 -4.93 120.64 110.48 3f1g n GLU 49 Ca 0.00 0.75 0.03 0.00 -0.02 0.00 0.00 57.16 57.92 3f1g n GLU 49 Cb 0.47 -5.70 -0.02 0.00 -0.02 0.00 0.00 31.44 26.17 3f1g n GLU 49 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3f1g h LYS 50 N -2.32 0.00 -5.40 3.49 2.10 -1.93 -3.44 116.57 109.06 3f1g h LYS 50 Ca -0.58 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.42 3f1g h LYS 50 Cb 1.37 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.55 3f1g h LYS 50 CO 0.58 0.29 0.10 0.71 -2.00 0.00 0.00 179.45 179.14 3f1g s TYR 51 N -3.03 3.10 0.67 0.07 1.51 -1.26 -5.05 117.35 113.36 3f1g s TYR 51 Ca 0.00 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3f1g s TYR 51 Cb 0.08 -3.23 0.13 0.00 -0.11 0.00 0.00 41.96 38.83 3f1g s TYR 51 CO 0.78 -0.76 0.92 0.36 -1.11 0.00 0.00 175.55 175.73 3f1g n LYS 52 N 6.13 0.09 -1.02 -0.62 0.00 -1.26 -5.00 118.16 116.47 3f1g n LYS 52 Ca -0.02 -2.72 -0.34 0.00 -0.00 0.00 0.00 58.31 55.23 3f1g n LYS 52 Cb 0.48 -0.54 0.11 0.00 -0.00 0.00 0.00 35.03 35.08 3f1g n LYS 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3f1g n LEU 53 N 0.00 1.57 0.00 -5.58 7.94 -1.26 -2.88 117.00 116.79 3f1g n LEU 53 Ca 0.16 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3f1g n LEU 53 Cb 0.57 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.21 3f1g n LEU 53 CO 0.38 -2.86 0.00 0.61 -1.11 0.00 0.00 177.39 174.41 3f1g n GLY 54 N 1.22 2.45 3.69 -3.96 0.00 -0.89 -4.92 105.19 102.79 3f1g n GLY 54 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3f1g n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f1g n ASP 55 N 0.20 4.07 -4.79 1.61 9.92 -1.14 -4.09 116.55 122.33 3f1g n ASP 55 Ca 0.00 1.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.87 3f1g n ASP 55 Cb 0.00 -1.55 -0.06 0.00 -0.64 0.00 0.00 41.12 38.86 3f1g n ASP 55 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3f1g s VAL 56 N 2.53 4.52 -0.07 2.53 1.01 -0.44 -1.32 120.40 129.17 3f1g s VAL 56 Ca 0.81 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 64.10 3f1g s VAL 56 Cb -0.48 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 31.92 3f1g s VAL 56 CO 0.36 0.49 0.40 0.68 0.00 0.00 0.00 175.10 177.03 3f1g s VAL 57 N -1.19 0.03 0.31 2.92 -7.23 0.16 -0.43 120.40 114.97 3f1g s VAL 57 Ca 0.34 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 60.04 3f1g s VAL 57 Cb -0.21 -0.65 -0.09 0.00 0.56 0.00 0.00 36.38 35.98 3f1g s VAL 57 CO 0.23 -0.14 0.86 -1.61 -0.31 0.00 0.00 175.10 174.14 3f1g s GLU 58 N -0.77 4.38 -0.02 4.82 2.02 -1.00 -1.29 118.70 126.84 3f1g s GLU 58 Ca -0.09 1.10 -0.02 0.00 0.02 0.00 0.00 54.97 55.98 3f1g s GLU 58 Cb -0.04 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3f1g s GLU 58 CO 0.04 0.25 0.07 0.96 0.02 0.00 0.00 175.26 176.60 3f1g s ILE 59 N -1.71 0.01 0.02 -1.63 -5.25 -0.88 0.11 121.20 111.86 3f1g s ILE 59 Ca 0.50 -0.05 0.03 0.00 -0.99 0.00 0.00 60.65 60.14 3f1g s ILE 59 Cb -0.16 -0.12 -0.04 0.00 2.95 0.00 0.00 42.46 45.10 3f1g s ILE 59 CO 0.21 -0.03 -0.03 -0.51 -1.79 0.00 0.00 174.94 172.79 3f1g s ILE 60 N -0.06 3.92 0.27 8.37 2.07 0.15 -2.24 121.20 133.67 3f1g s ILE 60 Ca -0.01 -0.74 -0.30 0.00 -1.41 0.00 0.00 60.65 58.19 3f1g s ILE 60 Cb -0.01 -2.75 -0.13 0.00 0.13 0.00 0.00 42.46 39.70 3f1g s ILE 60 CO 0.00 0.34 1.47 1.21 -1.91 0.00 0.00 174.94 176.05 3f1g n GLU 61 N 1.33 2.29 -3.86 3.50 2.13 -1.10 -2.00 120.64 122.94 3f1g n GLU 61 Ca -0.14 0.81 -0.09 0.00 0.66 0.00 0.00 57.16 58.40 3f1g n GLU 61 Cb 0.52 -2.51 -0.04 0.00 0.27 0.00 0.00 31.44 29.68 3f1g n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3f1g s SER 62 N 0.31 -0.20 0.36 4.31 0.01 -1.03 -4.84 113.70 112.62 3f1g s SER 62 Ca 0.65 -0.66 -0.26 0.00 1.31 0.00 0.00 55.95 57.00 3f1g s SER 62 Cb -0.58 0.62 -0.12 0.00 0.21 0.00 0.00 66.02 66.14 3f1g s SER 62 CO 0.50 -1.16 0.94 -1.14 0.41 0.00 0.00 173.24 172.80 3f1g n ARG 63 N -0.38 1.23 -1.70 12.44 0.63 -1.26 -4.58 116.66 123.04 3f1g n ARG 63 Ca -0.06 0.44 -0.44 0.00 -0.92 0.00 0.00 57.85 56.87 3f1g n ARG 63 Cb 0.61 -1.88 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 3f1g n ARG 63 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3f1g n PRO 64 N 0.45 2.45 -0.12 -0.14 -0.02 -1.26 -4.68 135.00 131.68 3f1g n PRO 64 Ca 0.10 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.25 3f1g n PRO 64 Cb 0.36 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.06 3f1g n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3f1g n ILE 65 N 3.31 1.40 -3.50 4.25 2.08 0.45 -5.02 119.36 122.33 3f1g n ILE 65 Ca 0.15 -0.46 -0.01 0.00 0.56 0.00 0.00 62.75 62.99 3f1g n ILE 65 Cb 0.32 -1.55 -0.00 0.00 -0.75 0.00 0.00 39.64 37.66 3f1g n ILE 65 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3f1g n SER 66 N -3.58 -0.05 -0.32 4.38 3.41 -1.09 -4.96 113.62 111.40 3f1g n SER 66 Ca -0.46 -1.07 0.02 0.00 -0.26 0.00 0.00 58.87 57.10 3f1g n SER 66 Cb 0.92 0.10 0.16 0.00 -0.26 0.00 0.00 64.21 65.13 3f1g n SER 66 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3f1g h LYS 67 N 0.00 0.93 0.00 4.33 3.64 -2.03 -3.16 116.57 120.29 3f1g h LYS 67 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3f1g h LYS 67 Cb 0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3f1g h LYS 67 CO 0.01 0.62 -1.03 0.54 -2.27 0.00 0.00 179.45 177.33 3f1g n ARG 68 N -4.63 1.76 -2.61 1.90 1.74 -1.26 -4.91 116.66 108.65 3f1g n ARG 68 Ca 0.14 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 3f1g n ARG 68 Cb 0.21 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3f1g n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3f1g s LYS 69 N -2.32 3.20 -0.15 5.56 1.02 -1.19 -4.29 119.74 121.56 3f1g s LYS 69 Ca -0.01 -0.31 0.20 0.00 0.02 0.00 0.00 55.97 55.87 3f1g s LYS 69 Cb 0.06 -4.17 0.46 0.00 -0.52 0.00 0.00 37.83 33.65 3f1g s LYS 69 CO 0.37 -2.04 1.16 0.54 -0.92 0.00 0.00 175.35 174.47 3f1g n ARG 70 N 8.97 1.27 -3.74 1.68 3.00 -1.26 -0.41 116.66 126.17 3f1g n ARG 70 Ca 0.02 -2.96 -0.12 0.00 -0.01 0.00 0.00 57.85 54.77 3f1g n ARG 70 Cb 0.48 -1.06 -0.11 0.00 0.00 0.00 0.00 32.46 31.77 3f1g n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3f1g s PHE 71 N -2.17 -0.41 0.19 -1.55 0.08 -1.26 -2.47 117.98 110.39 3f1g s PHE 71 Ca 0.35 0.97 0.05 0.00 0.12 0.00 0.00 56.93 58.42 3f1g s PHE 71 Cb 0.37 0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.93 3f1g s PHE 71 CO -0.09 -0.22 0.19 1.03 -0.10 0.00 0.00 175.22 176.03 3f1g s ARG 72 N 0.56 3.02 -0.03 0.44 0.52 -0.85 -1.29 118.95 121.33 3f1g s ARG 72 Ca -0.03 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 3f1g s ARG 72 Cb -0.05 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 3f1g s ARG 72 CO -0.03 0.46 0.92 0.08 0.02 0.00 0.00 175.30 176.76 3f1g s VAL 73 N -1.86 4.90 -0.21 3.52 1.01 -1.21 -0.68 120.40 125.87 3f1g s VAL 73 Ca 0.32 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 64.04 3f1g s VAL 73 Cb -0.10 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.87 3f1g s VAL 73 CO 0.25 0.16 0.08 -0.11 0.00 0.00 0.00 175.10 175.47 3f1g n LEU 74 N 4.03 1.87 -3.58 3.92 -0.00 0.31 -4.88 117.00 118.67 3f1g n LEU 74 Ca 0.05 0.44 -0.05 0.00 -0.00 0.00 0.00 56.01 56.45 3f1g n LEU 74 Cb 0.51 -0.93 -0.02 0.00 -0.00 0.00 0.00 43.42 42.98 3f1g n LEU 74 CO 0.51 0.21 0.93 0.00 -0.00 0.00 0.00 177.39 179.04 3f1g s ARG 75 N -2.38 0.45 0.66 1.96 1.70 -1.17 -4.96 118.95 115.23 3f1g s ARG 75 Ca -0.28 -0.18 -0.13 0.00 -0.47 0.00 0.00 55.73 54.67 3f1g s ARG 75 Cb 0.07 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3f1g s ARG 75 CO 0.53 -0.20 1.07 -1.17 -1.08 0.00 0.00 175.30 174.44 3f1g s LEU 76 N -2.33 3.27 0.00 -1.89 2.96 -1.26 -2.38 118.68 117.05 3f1g s LEU 76 Ca 0.09 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 3f1g s LEU 76 Cb -0.01 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.17 3f1g s LEU 76 CO -0.05 -1.42 0.00 0.52 -1.32 0.00 0.00 176.35 174.07 3f1g n VAL 77 N -2.73 0.00 -3.62 1.68 0.31 0.43 -4.82 118.33 109.59 3f1g n VAL 77 Ca 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 3f1g n VAL 77 Cb 0.53 -0.23 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 3f1g n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3f1g s GLU 78 N -1.34 0.20 0.00 5.55 -1.05 -1.21 -4.95 118.70 115.89 3f1g s GLU 78 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 3f1g s GLU 78 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 3f1g s GLU 78 CO 0.00 -0.08 0.00 0.45 0.95 0.00 0.00 175.26 176.58 3f1g n SER 79 N 0.18 0.00 -4.61 0.83 2.88 -1.26 -1.32 113.62 110.32 3f1g n SER 79 Ca 0.00 0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 3f1g n SER 79 Cb 0.58 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 3f1g n SER 79 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3f1g s GLY 80 N -1.40 0.64 -0.36 0.46 0.00 -1.26 -3.56 107.32 101.84 3f1g s GLY 80 Ca 0.00 0.85 0.12 0.00 0.00 0.00 0.00 44.72 45.69 3f1g s GLY 80 CO 0.00 3.76 1.48 0.54 0.00 0.00 0.00 173.10 178.87 3f1g n ARG 81 N 8.59 1.32 -0.04 2.90 5.12 -1.26 -4.96 116.66 128.34 3f1g n ARG 81 Ca 0.28 -1.45 0.00 0.00 -1.93 0.00 0.00 57.85 54.75 3f1g n ARG 81 Cb 0.44 0.24 0.30 0.00 -1.16 0.00 0.00 32.46 32.28 3f1g n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3f1g h MET 82 N 1.36 0.61 -1.07 5.56 2.86 -1.86 -3.00 114.93 119.39 3f1g h MET 82 Ca -0.39 -0.10 0.37 0.00 -2.06 0.00 0.00 59.70 57.52 3f1g h MET 82 Cb 1.30 -0.11 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 3f1g h MET 82 CO -0.14 0.55 0.63 0.38 1.06 0.00 0.00 176.91 179.39 3f1g h ASP 83 N 0.60 0.41 0.00 1.22 2.03 -1.99 0.58 116.42 119.28 3f1g h ASP 83 Ca 0.14 0.19 -0.03 0.00 -0.73 0.00 0.00 57.03 56.60 3f1g h ASP 83 Cb 0.21 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 3f1g h ASP 83 CO -0.01 -0.21 -0.11 -0.07 -1.03 0.00 0.00 179.24 177.81 3f1g h LEU 84 N 0.20 0.09 -1.54 0.15 3.38 -1.95 -3.03 115.31 112.60 3f1g h LEU 84 Ca 0.78 -0.82 0.20 0.00 0.09 0.00 0.00 57.88 58.12 3f1g h LEU 84 Cb 2.01 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 3f1g h LEU 84 CO -0.59 0.90 0.59 0.58 0.09 0.00 0.00 178.44 180.01 3f1g h VAL 85 N -0.71 0.69 0.49 1.22 2.07 -0.50 -1.51 116.25 117.99 3f1g h VAL 85 Ca -0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3f1g h VAL 85 Cb 0.92 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3f1g h VAL 85 CO 0.02 0.07 -0.24 -0.33 0.02 0.00 0.00 177.57 177.12 3f1g h GLU 86 N 0.39 -0.63 -0.47 1.57 4.39 -0.06 -1.57 114.58 118.19 3f1g h GLU 86 Ca 0.45 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.24 3f1g h GLU 86 Cb 1.15 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 3f1g h GLU 86 CO -0.16 -0.34 -0.28 1.63 -1.16 0.00 0.00 179.01 178.70 3f1g n LYS 87 N -5.29 -0.21 0.19 2.33 4.76 -0.60 0.58 118.16 119.92 3f1g n LYS 87 Ca -0.11 1.12 0.07 0.00 -2.87 0.00 0.00 58.31 56.52 3f1g n LYS 87 Cb 0.31 -1.66 0.58 0.00 -1.84 0.00 0.00 35.03 32.41 3f1g n LYS 87 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3f1g h TYR 88 N 0.00 0.14 0.07 2.13 3.20 -1.52 -0.92 116.97 120.07 3f1g h TYR 88 Ca 0.08 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.71 3f1g h TYR 88 Cb 0.19 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3f1g h TYR 88 CO -0.87 0.09 -1.11 -0.07 -1.64 0.00 0.00 178.16 174.56 3f1g h LEU 89 N 0.15 0.29 -0.58 2.82 3.38 0.58 -2.85 115.31 119.11 3f1g h LEU 89 Ca 0.04 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3f1g h LEU 89 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3f1g h LEU 89 CO -0.01 1.20 -0.36 0.40 0.09 0.00 0.00 178.44 179.76 3f1g h ILE 90 N 0.07 1.28 -0.57 1.22 1.08 0.63 -1.77 117.51 119.45 3f1g h ILE 90 Ca -0.08 -1.52 0.11 0.00 -0.39 0.00 0.00 64.86 62.98 3f1g h ILE 90 Cb 1.83 1.42 -0.09 0.00 -3.07 0.00 0.00 36.82 36.91 3f1g h ILE 90 CO 0.17 0.50 0.05 -0.09 -0.69 0.00 0.00 178.15 178.09 3f1g h ARG 91 N 0.62 0.17 -0.66 2.37 2.43 -1.15 0.69 114.38 118.85 3f1g h ARG 91 Ca 0.06 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3f1g h ARG 91 Cb 0.90 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3f1g h ARG 91 CO 0.08 0.11 0.17 0.00 -1.51 0.00 0.00 179.97 178.82 3f1g h ARG 92 N 0.17 1.03 0.02 0.20 2.47 -1.26 -3.23 114.38 113.79 3f1g h ARG 92 Ca 0.30 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3f1g h ARG 92 Cb 0.46 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3f1g h ARG 92 CO -0.44 0.90 -0.05 1.96 0.56 0.00 0.00 179.97 182.90 3f1g h GLN 93 N 0.98 -0.08 0.00 0.04 1.08 -0.01 -2.52 115.11 114.60 3f1g h GLN 93 Ca 0.21 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3f1g h GLN 93 Cb 0.33 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3f1g h GLN 93 CO -0.00 -0.05 0.24 0.09 -0.95 0.00 0.00 178.83 178.16 3f1g n ASN 94 N -2.71 0.22 -0.09 1.46 3.02 -0.49 -0.15 115.26 116.52 3f1g n ASN 94 Ca -0.01 0.47 -0.03 0.00 -0.03 0.00 0.00 54.58 54.98 3f1g n ASN 94 Cb 0.04 -0.44 0.20 0.00 -0.61 0.00 0.00 39.78 38.97 3f1g n ASN 94 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3f1g h TYR 95 N 0.00 0.77 -0.74 3.10 0.99 -1.46 -2.07 116.97 117.55 3f1g h TYR 95 Ca 0.00 -0.09 0.15 0.00 2.00 0.00 0.00 58.73 60.79 3f1g h TYR 95 Cb 0.48 -0.22 -0.10 0.00 1.00 0.00 0.00 36.73 37.89 3f1g h TYR 95 CO 0.00 0.70 0.24 0.37 -0.00 0.00 0.00 178.16 179.47 3f1g h GLN 96 N 0.69 0.34 -2.18 4.88 -0.00 -0.67 -2.24 115.11 115.95 3f1g h GLN 96 Ca 0.14 -0.02 -0.51 0.00 -0.00 0.00 0.00 58.65 58.26 3f1g h GLN 96 Cb 0.38 -0.08 -0.14 0.00 0.00 0.00 0.00 27.48 27.64 3f1g h GLN 96 CO 0.01 0.23 0.86 -1.13 0.00 0.00 0.00 178.83 178.80 3f1g n SER 97 N -5.08 6.72 0.00 -0.69 3.41 -0.78 -3.84 113.62 113.36 3f1g n SER 97 Ca 0.14 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 3f1g n SER 97 Cb 0.44 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3f1g n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f1g n LEU 98 N 1.44 0.02 -4.34 1.04 4.77 -0.84 -5.02 117.00 114.06 3f1g n LEU 98 Ca 0.52 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.21 3f1g n LEU 98 Cb 0.53 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.89 3f1g n LEU 98 CO 0.40 -0.27 0.33 -1.54 -1.33 0.00 0.00 177.39 174.98 3f1g n SER 99 N -2.08 -2.75 0.00 -1.43 3.41 -1.25 -5.16 113.62 104.36 3f1g n SER 99 Ca 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3f1g n SER 99 Cb 0.01 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 3f1g n SER 99 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17