#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c s ILE 4 N 0.00 4.20 -0.37 -0.18 -4.36 -1.26 -5.02 121.20 114.21 3e1c s ILE 4 Ca 0.00 1.15 0.23 0.00 -0.26 0.00 0.00 60.65 61.77 3e1c s ILE 4 Cb 0.00 -3.57 -0.01 0.00 1.25 0.00 0.00 42.46 40.13 3e1c s ILE 4 CO 0.00 -0.51 1.09 0.54 0.24 0.00 0.00 174.94 176.30 3e1c n ARG 5 N -1.45 0.50 -3.23 0.37 1.74 -1.26 -5.04 116.66 108.28 3e1c n ARG 5 Ca 0.08 0.09 -0.26 0.00 -0.77 0.00 0.00 57.85 56.99 3e1c n ARG 5 Cb 0.53 -1.76 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3e1c n ARG 5 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3e1c n THR 6 N -2.46 -3.03 -2.42 0.55 -2.24 -1.23 -5.00 114.28 98.45 3e1c n THR 6 Ca 0.01 0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.67 3e1c n THR 6 Cb 0.51 -3.11 -0.02 0.00 -2.10 0.00 0.00 70.33 65.61 3e1c n THR 6 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3e1c s LEU 7 N -1.86 3.59 -0.81 3.22 2.01 -1.11 -4.82 118.68 118.90 3e1c s LEU 7 Ca 0.25 1.36 -0.04 0.00 0.01 0.00 0.00 54.13 55.71 3e1c s LEU 7 Cb -0.03 -4.31 0.11 0.00 0.01 0.00 0.00 46.19 41.97 3e1c s LEU 7 CO 0.56 -0.60 2.55 0.00 1.01 0.00 0.00 176.35 179.88 3e1c n GLN 8 N -1.83 3.36 -2.32 1.70 6.02 -1.26 -2.89 117.38 120.15 3e1c n GLN 8 Ca 0.05 -2.92 -0.41 0.00 -0.01 0.00 0.00 57.00 53.71 3e1c n GLN 8 Cb 0.54 -2.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 3e1c n GLN 8 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3e1c s GLY 9 N 0.21 0.73 -0.06 1.08 0.00 -0.23 -4.75 107.32 104.30 3e1c s GLY 9 Ca 0.56 -0.74 -0.34 0.00 0.00 0.00 0.00 44.72 44.20 3e1c s GLY 9 CO -0.18 2.94 1.84 0.54 0.00 0.00 0.00 173.10 178.23 3e1c n ARG 10 N 8.88 2.18 -2.13 2.90 5.12 -1.23 -1.17 116.66 131.21 3e1c n ARG 10 Ca 0.13 0.80 -0.32 0.00 -1.93 0.00 0.00 57.85 56.53 3e1c n ARG 10 Cb 0.50 -2.63 -0.04 0.00 -1.16 0.00 0.00 32.46 29.12 3e1c n ARG 10 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3e1c s VAL 11 N 3.66 3.50 -0.04 1.55 1.01 -1.08 -3.98 120.40 125.02 3e1c s VAL 11 Ca 0.91 -0.25 0.15 0.00 0.00 0.00 0.00 61.98 62.79 3e1c s VAL 11 Cb -0.69 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.30 3e1c s VAL 11 CO 0.50 -1.10 0.30 1.33 0.00 0.00 0.00 175.10 176.12 3e1c n VAL 12 N 7.53 0.17 -3.76 2.92 0.24 -1.16 -4.56 118.33 119.71 3e1c n VAL 12 Ca 0.33 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 3e1c n VAL 12 Cb 0.49 0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.76 3e1c n VAL 12 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3e1c s SER 13 N -3.98 -0.32 -0.00 -1.34 0.01 -0.91 -5.05 113.70 102.12 3e1c s SER 13 Ca -0.06 0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.81 3e1c s SER 13 Cb 0.09 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.94 3e1c s SER 13 CO 0.65 -0.14 -0.06 -0.62 0.41 0.00 0.00 173.24 173.47 3e1c s ASP 14 N 0.02 0.76 0.16 2.44 3.68 -1.26 -1.87 116.67 120.60 3e1c s ASP 14 Ca -0.01 -0.13 0.00 0.00 2.13 0.00 0.00 52.55 54.53 3e1c s ASP 14 Cb -0.03 -0.08 0.00 0.00 -1.45 0.00 0.00 42.92 41.37 3e1c s ASP 14 CO 0.01 0.07 0.00 1.17 0.13 0.00 0.00 175.17 176.55 3e1c n LYS 15 N 2.86 0.00 -3.18 4.34 4.81 -1.26 -5.10 118.16 120.63 3e1c n LYS 15 Ca -0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.07 3e1c n LYS 15 Cb 0.58 -0.06 -0.00 0.00 0.02 0.00 0.00 35.03 35.57 3e1c n LYS 15 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3e1c s MET 16 N -2.00 3.31 0.08 1.64 1.00 -1.26 -5.05 119.30 117.02 3e1c s MET 16 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 55.69 55.12 3e1c s MET 16 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 34.83 32.13 3e1c s MET 16 CO 0.00 -0.05 1.48 0.93 0.00 0.00 0.00 175.02 177.39 3e1c h GLU 17 N 0.58 0.45 -0.78 2.03 5.08 -2.01 -3.35 114.58 116.57 3e1c h GLU 17 Ca -0.48 -0.16 -0.49 0.00 -1.00 0.00 0.00 59.36 57.22 3e1c h GLU 17 Cb 1.23 -0.03 -0.42 0.00 0.50 0.00 0.00 28.75 30.03 3e1c h GLU 17 CO 0.59 0.66 -0.88 1.63 -1.00 0.00 0.00 179.01 180.02 3e1c n LYS 18 N -4.59 3.19 -3.50 2.33 5.02 -1.26 -4.87 118.16 114.47 3e1c n LYS 18 Ca -0.04 -4.06 -0.16 0.00 -2.02 0.00 0.00 58.31 52.03 3e1c n LYS 18 Cb 0.28 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.11 3e1c n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3e1c s SER 19 N -3.62 -0.62 0.29 4.39 0.01 -1.25 -4.21 113.70 108.70 3e1c s SER 19 Ca 0.46 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 58.19 3e1c s SER 19 Cb 0.39 0.54 -0.00 0.00 0.21 0.00 0.00 66.02 67.16 3e1c s SER 19 CO 0.00 -0.68 0.44 0.27 0.41 0.00 0.00 173.24 173.69 3e1c s ILE 20 N -1.77 0.00 -0.09 1.44 -4.36 -0.46 -4.27 121.20 111.68 3e1c s ILE 20 Ca -0.08 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3e1c s ILE 20 Cb -0.00 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3e1c s ILE 20 CO 0.04 0.00 -0.16 -0.69 0.24 0.00 0.00 174.94 174.37 3e1c s VAL 21 N -3.52 1.52 -0.19 8.37 1.01 -0.78 -1.34 120.40 125.47 3e1c s VAL 21 Ca 0.28 -0.68 0.12 0.00 0.00 0.00 0.00 61.98 61.71 3e1c s VAL 21 Cb 0.00 -1.37 0.42 0.00 0.00 0.00 0.00 36.38 35.44 3e1c s VAL 21 CO 0.15 0.44 1.21 1.33 0.00 0.00 0.00 175.10 178.23 3e1c n VAL 22 N 3.94 2.00 -1.44 2.92 0.24 -0.70 -2.13 118.33 123.16 3e1c n VAL 22 Ca -0.20 -3.08 -0.55 0.00 -2.04 0.00 0.00 64.34 58.47 3e1c n VAL 22 Cb 0.52 -0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 3e1c n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3e1c n ALA 23 N -0.92 0.57 -4.27 2.33 0.00 -1.26 -3.54 120.51 113.44 3e1c n ALA 23 Ca 0.19 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3e1c n ALA 23 Cb 0.76 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3e1c n ALA 23 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3e1c n ILE 24 N 6.48 0.00 -2.65 0.00 -6.64 -1.26 -4.81 119.36 110.49 3e1c n ILE 24 Ca 0.42 -0.93 -0.42 0.00 -1.77 0.00 0.00 62.75 60.06 3e1c n ILE 24 Cb 0.13 0.19 -0.04 0.00 -1.44 0.00 0.00 39.64 38.49 3e1c n ILE 24 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3e1c s GLU 25 N -2.70 4.59 -0.52 6.28 1.03 -1.26 -1.64 118.70 124.48 3e1c s GLU 25 Ca 0.00 1.51 -0.26 0.00 0.03 0.00 0.00 54.97 56.26 3e1c s GLU 25 Cb 0.00 -3.40 -0.06 0.00 -0.80 0.00 0.00 34.13 29.87 3e1c s GLU 25 CO 0.00 0.02 2.31 0.50 -1.33 0.00 0.00 175.26 176.77 3e1c s ARG 26 N 0.53 2.18 0.22 -4.83 3.00 -0.17 -4.88 118.95 114.98 3e1c s ARG 26 Ca 0.51 1.24 0.23 0.00 -1.00 0.00 0.00 55.73 56.71 3e1c s ARG 26 Cb -0.24 -4.56 0.92 0.00 0.00 0.00 0.00 34.95 31.08 3e1c s ARG 26 CO 0.30 -3.22 1.70 0.34 0.00 0.00 0.00 175.30 174.42 3e1c n PHE 27 N 15.44 0.72 -2.04 5.12 7.35 -1.26 -4.49 117.46 138.29 3e1c n PHE 27 Ca 0.34 0.27 -0.36 0.00 -0.76 0.00 0.00 57.45 56.94 3e1c n PHE 27 Cb 0.54 -0.94 -0.03 0.00 0.35 0.00 0.00 39.48 39.40 3e1c n PHE 27 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3e1c s VAL 28 N -3.24 3.37 0.96 -2.13 1.01 -1.26 -5.00 120.40 114.11 3e1c s VAL 28 Ca 0.06 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 3e1c s VAL 28 Cb 0.10 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.69 3e1c s VAL 28 CO 0.41 -0.92 1.09 -0.54 0.00 0.00 0.00 175.10 175.14 3e1c s LYS 29 N 7.03 0.71 0.32 2.72 3.01 -1.26 -5.10 119.74 127.18 3e1c s LYS 29 Ca 0.68 0.82 0.04 0.00 -1.01 0.00 0.00 55.97 56.50 3e1c s LYS 29 Cb -0.11 -1.75 -0.06 0.00 -1.01 0.00 0.00 37.83 34.90 3e1c s LYS 29 CO 0.17 -2.62 0.04 -3.38 0.51 0.00 0.00 175.35 170.07 3e1c s HIS 30 N -2.84 2.00 -0.86 3.18 -3.43 -1.26 -5.11 115.29 106.97 3e1c s HIS 30 Ca 0.65 -0.90 -0.25 0.00 -0.80 0.00 0.00 55.06 53.76 3e1c s HIS 30 Cb -0.20 -1.30 -0.06 0.00 -1.43 0.00 0.00 32.58 29.59 3e1c s HIS 30 CO 0.58 0.08 2.03 -1.25 -2.00 0.00 0.00 174.74 174.18 3e1c s PRO 31 N -3.86 2.39 0.00 -0.38 0.04 -1.26 -4.92 135.00 127.02 3e1c s PRO 31 Ca 0.35 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.30 3e1c s PRO 31 Cb 0.08 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.64 3e1c s PRO 31 CO 0.15 -3.53 0.00 1.51 0.04 0.00 0.00 177.00 175.17 3e1c n ILE 32 N 8.00 0.00 0.25 0.56 3.06 -1.26 -5.12 119.36 124.85 3e1c n ILE 32 Ca 0.40 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.49 3e1c n ILE 32 Cb 0.47 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.55 3e1c n ILE 32 CO 0.00 0.00 0.00 0.22 -2.50 0.00 0.00 176.55 174.27 3e1c h TYR 33 N 0.15 -1.32 0.00 9.51 3.20 -2.00 -3.47 116.97 123.04 3e1c h TYR 33 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3e1c h TYR 33 Cb 0.00 0.52 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3e1c h TYR 33 CO 0.00 -0.61 0.00 0.41 -1.64 0.00 0.00 178.16 176.32 3e1c n GLY 34 N -1.51 -0.44 3.86 1.82 0.00 -1.26 -5.17 105.19 102.49 3e1c n GLY 34 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3e1c n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1c s LYS 35 N 0.00 2.24 0.82 1.61 -0.14 -1.26 -5.14 119.74 117.87 3e1c s LYS 35 Ca 0.00 -2.13 -0.12 0.00 -1.36 0.00 0.00 55.97 52.36 3e1c s LYS 35 Cb 0.00 -1.93 0.09 0.00 -1.68 0.00 0.00 37.83 34.31 3e1c s LYS 35 CO 0.00 -0.54 1.14 0.12 -0.76 0.00 0.00 175.35 175.31 3e1c s PHE 36 N -2.80 2.03 -1.29 3.18 5.36 -1.26 -4.93 117.98 118.26 3e1c s PHE 36 Ca 0.25 1.67 -0.15 0.00 -0.96 0.00 0.00 56.93 57.75 3e1c s PHE 36 Cb -0.01 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.36 3e1c s PHE 36 CO 0.16 -2.44 2.21 1.51 -1.46 0.00 0.00 175.22 175.20 3e1c n ILE 37 N -3.59 3.08 -3.05 3.12 0.13 -1.26 -4.92 119.36 112.87 3e1c n ILE 37 Ca 0.11 -2.57 -0.45 0.00 -1.10 0.00 0.00 62.75 58.74 3e1c n ILE 37 Cb 0.52 -2.52 -0.02 0.00 -0.84 0.00 0.00 39.64 36.78 3e1c n ILE 37 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3e1c s LYS 38 N 3.57 3.73 -0.28 9.51 -0.14 -1.26 -4.34 119.74 130.53 3e1c s LYS 38 Ca 0.51 -2.18 -0.18 0.00 -1.36 0.00 0.00 55.97 52.76 3e1c s LYS 38 Cb 0.14 -4.81 0.11 0.00 -1.68 0.00 0.00 37.83 31.59 3e1c s LYS 38 CO -0.03 -1.62 0.84 0.50 -0.76 0.00 0.00 175.35 174.28 3e1c s ARG 39 N 1.62 0.58 0.76 1.68 3.52 -1.26 -5.09 118.95 120.77 3e1c s ARG 39 Ca 0.31 0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 56.71 3e1c s ARG 39 Cb -0.06 0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.54 3e1c s ARG 39 CO -0.08 -0.11 1.09 0.95 -0.81 0.00 0.00 175.30 176.35 3e1c s THR 40 N 1.20 3.26 -0.05 4.11 -4.23 -1.26 -1.00 115.64 117.66 3e1c s THR 40 Ca -0.07 0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 3e1c s THR 40 Cb -0.04 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.59 3e1c s THR 40 CO -0.14 -0.53 0.21 0.28 -0.54 0.00 0.00 174.62 173.89 3e1c s THR 41 N -3.20 0.03 -1.54 3.99 -1.32 -0.65 -4.61 115.64 108.33 3e1c s THR 41 Ca 0.60 -0.24 -0.09 0.00 -1.21 0.00 0.00 61.69 60.75 3e1c s THR 41 Cb -0.13 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 3e1c s THR 41 CO 0.54 -0.13 2.76 1.17 -2.21 0.00 0.00 174.62 176.75 3e1c n LYS 42 N 2.38 3.82 -2.23 7.08 4.81 -1.26 -3.98 118.16 128.77 3e1c n LYS 42 Ca -0.16 -2.52 -0.33 0.00 -0.87 0.00 0.00 58.31 54.42 3e1c n LYS 42 Cb 0.57 -2.81 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 3e1c n LYS 42 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3e1c s LEU 43 N -0.14 3.30 -0.06 3.14 1.43 -1.26 -4.94 118.68 120.16 3e1c s LEU 43 Ca 0.64 -1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.50 3e1c s LEU 43 Cb 0.18 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3e1c s LEU 43 CO -0.07 -2.47 1.19 -1.00 0.23 0.00 0.00 176.35 174.23 3e1c s HIS 44 N 8.84 3.20 -0.10 0.29 3.76 -1.26 -1.71 115.29 128.31 3e1c s HIS 44 Ca 0.64 1.23 0.02 0.00 -0.15 0.00 0.00 55.06 56.80 3e1c s HIS 44 Cb 0.01 -3.41 0.01 0.00 1.11 0.00 0.00 32.58 30.30 3e1c s HIS 44 CO 0.12 -1.26 -0.15 0.08 -0.85 0.00 0.00 174.74 172.68 3e1c s VAL 45 N 2.23 1.45 -0.82 -0.90 1.01 -0.45 -3.46 120.40 119.46 3e1c s VAL 45 Ca 0.55 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 3e1c s VAL 45 Cb -0.24 -1.33 -0.15 0.00 0.00 0.00 0.00 36.38 34.66 3e1c s VAL 45 CO 0.21 0.43 1.94 1.57 0.00 0.00 0.00 175.10 179.25 3e1c n HIS 46 N 4.17 1.99 -1.00 5.22 -0.00 0.51 -1.35 115.22 124.75 3e1c n HIS 46 Ca -0.19 -1.83 -0.32 0.00 0.46 0.00 0.00 57.72 55.84 3e1c n HIS 46 Cb 0.51 -1.79 0.00 0.00 -0.12 0.00 0.00 29.99 28.59 3e1c n HIS 46 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 3e1c n ASP 47 N 7.85 -2.61 0.00 0.26 4.64 -1.26 -4.72 116.55 120.71 3e1c n ASP 47 Ca 0.49 0.57 0.00 0.00 -1.38 0.00 0.00 54.79 54.47 3e1c n ASP 47 Cb 0.41 -0.68 0.00 0.00 -1.04 0.00 0.00 41.12 39.81 3e1c n ASP 47 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3e1c n GLU 48 N 1.13 3.43 0.00 -0.67 2.13 -1.26 -3.75 120.64 121.64 3e1c n GLU 48 Ca 0.07 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.91 3e1c n GLU 48 Cb 0.35 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.52 3e1c n GLU 48 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3e1c n ASN 49 N -0.31 0.89 0.00 4.31 4.13 -1.26 -4.99 115.26 118.03 3e1c n ASN 49 Ca 0.00 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.31 3e1c n ASN 49 Cb 0.01 0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3e1c n ASN 49 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3e1c n ASN 50 N -0.28 -0.30 0.25 6.41 4.05 -1.26 -4.80 115.26 119.34 3e1c n ASN 50 Ca 0.02 0.00 0.16 0.00 0.45 0.00 0.00 54.58 55.21 3e1c n ASN 50 Cb 0.09 -0.85 0.88 0.00 1.23 0.00 0.00 39.78 41.13 3e1c n ASN 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 3e1c h GLU 51 N 0.00 0.00 0.00 1.20 4.11 -2.04 0.35 114.58 118.20 3e1c h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3e1c h GLU 51 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3e1c h GLU 51 CO 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 179.01 178.79 3e1c n GLY 53 N 1.31 0.45 0.00 0.00 0.00 0.11 -3.82 105.19 103.24 3e1c n GLY 53 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3e1c n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3e1c n ILE 54 N 0.00 0.00 0.71 -0.61 3.06 -1.26 -4.91 119.36 116.34 3e1c n ILE 54 Ca 0.00 0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.32 3e1c n ILE 54 Cb 0.00 -0.24 -0.09 0.00 0.54 0.00 0.00 39.64 39.85 3e1c n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3e1c n GLY 55 N 1.80 -0.46 3.84 4.50 0.00 -1.25 -4.70 105.19 108.91 3e1c n GLY 55 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3e1c n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3e1c s ASP 56 N -2.49 4.00 -0.22 1.61 1.11 -1.25 -1.99 116.67 117.46 3e1c s ASP 56 Ca 0.06 0.89 0.02 0.00 0.18 0.00 0.00 52.55 53.69 3e1c s ASP 56 Cb 0.12 -1.43 0.04 0.00 1.07 0.00 0.00 42.92 42.72 3e1c s ASP 56 CO 0.63 -2.23 -0.13 -0.69 1.18 0.00 0.00 175.17 173.93 3e1c s VAL 57 N -3.42 1.93 0.50 -1.27 1.01 -0.24 -2.62 120.40 116.30 3e1c s VAL 57 Ca 0.63 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3e1c s VAL 57 Cb -0.13 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3e1c s VAL 57 CO 0.51 0.19 0.80 0.68 0.00 0.00 0.00 175.10 177.28 3e1c s VAL 58 N 1.27 4.46 -0.16 2.92 -7.23 -0.32 -0.32 120.40 121.02 3e1c s VAL 58 Ca -0.02 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 3e1c s VAL 58 Cb -0.17 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 3e1c s VAL 58 CO -0.08 -0.68 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.32 3e1c s GLU 59 N -4.78 3.72 0.12 4.82 2.12 -0.06 -1.06 118.70 123.57 3e1c s GLU 59 Ca 0.49 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 55.46 3e1c s GLU 59 Cb -0.10 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 3e1c s GLU 59 CO 0.44 0.27 -0.27 0.96 -0.54 0.00 0.00 175.26 176.12 3e1c s ILE 60 N 0.30 2.25 0.07 -3.70 -4.36 -1.14 -1.85 121.20 112.76 3e1c s ILE 60 Ca -0.02 -1.70 0.08 0.00 -0.26 0.00 0.00 60.65 58.75 3e1c s ILE 60 Cb -0.14 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 3e1c s ILE 60 CO 0.02 0.13 -0.21 0.00 0.24 0.00 0.00 174.94 175.13 3e1c s ARG 61 N -1.93 1.27 -0.44 0.37 1.70 0.49 -2.76 118.95 117.65 3e1c s ARG 61 Ca 0.14 -1.03 -0.41 0.00 -0.47 0.00 0.00 55.73 53.95 3e1c s ARG 61 Cb -0.10 -1.45 -0.17 0.00 -0.57 0.00 0.00 34.95 32.66 3e1c s ARG 61 CO 0.05 0.36 2.08 0.39 -1.08 0.00 0.00 175.30 177.10 3e1c n GLU 62 N 1.53 0.41 -4.19 3.89 4.71 -1.26 -1.26 120.64 124.47 3e1c n GLU 62 Ca -0.18 0.12 -0.15 0.00 -0.01 0.00 0.00 57.16 56.94 3e1c n GLU 62 Cb 0.53 -1.84 -0.08 0.00 -1.01 0.00 0.00 31.44 29.05 3e1c n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3e1c n ARG 64 N -0.48 1.66 -2.10 0.00 0.63 -1.26 -4.59 116.66 110.53 3e1c n ARG 64 Ca 0.04 0.61 -0.30 0.00 -0.92 0.00 0.00 57.85 57.27 3e1c n ARG 64 Cb 0.63 -2.37 -0.05 0.00 0.45 0.00 0.00 32.46 31.11 3e1c n ARG 64 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3e1c n PRO 65 N 6.04 1.78 0.22 -0.14 -0.04 -1.26 -4.58 135.00 137.02 3e1c n PRO 65 Ca 0.25 -2.55 0.14 0.00 -0.04 0.00 0.00 63.50 61.31 3e1c n PRO 65 Cb 0.21 -3.69 0.77 0.00 -0.04 0.00 0.00 33.50 30.75 3e1c n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3e1c h LEU 66 N 17.08 0.00 -8.24 1.53 3.38 -1.93 -3.44 115.31 123.69 3e1c h LEU 66 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3e1c h LEU 66 Cb 0.92 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 3e1c h LEU 66 CO 1.27 0.00 -0.17 -0.94 0.09 0.00 0.00 178.44 178.69 3e1c s SER 67 N -4.33 -0.07 -0.46 -0.43 1.04 -1.26 -5.11 113.70 103.08 3e1c s SER 67 Ca -0.03 -0.95 -0.41 0.00 0.48 0.00 0.00 55.95 55.03 3e1c s SER 67 Cb 0.08 0.56 -0.18 0.00 0.10 0.00 0.00 66.02 66.58 3e1c s SER 67 CO 0.26 -1.09 1.77 1.17 0.98 0.00 0.00 173.24 176.33 3e1c n LYS 68 N -0.36 0.00 -0.34 4.02 4.81 -1.26 -2.33 118.16 122.69 3e1c n LYS 68 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3e1c n LYS 68 Cb 0.62 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 34.30 3e1c n LYS 68 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 3e1c n THR 69 N 5.08 0.00 -2.34 3.15 5.66 -1.26 -4.89 114.28 119.68 3e1c n THR 69 Ca 0.42 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.99 3e1c n THR 69 Cb -0.04 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 3e1c n THR 69 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3e1c n LYS 70 N -0.13 3.60 0.06 1.09 4.81 -0.99 -4.60 118.16 122.01 3e1c n LYS 70 Ca 0.00 -3.52 -0.21 0.00 -0.87 0.00 0.00 58.31 53.72 3e1c n LYS 70 Cb 0.09 -2.93 -0.12 0.00 0.02 0.00 0.00 35.03 32.09 3e1c n LYS 70 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3e1c h SER 71 N 5.78 0.76 -4.21 3.14 0.02 -1.81 -3.37 113.55 113.86 3e1c h SER 71 Ca 0.40 -0.81 -0.48 0.00 -0.84 0.00 0.00 61.79 60.06 3e1c h SER 71 Cb 0.63 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.96 3e1c h SER 71 CO 1.62 1.49 0.38 0.26 -1.14 0.00 0.00 176.83 179.44 3e1c s TRP 72 N -3.02 3.45 0.16 3.45 0.52 -1.22 -3.36 118.94 118.92 3e1c s TRP 72 Ca -0.11 1.46 0.09 0.00 0.02 0.00 0.00 56.10 57.56 3e1c s TRP 72 Cb 0.05 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 3e1c s TRP 72 CO 0.89 -0.42 -0.21 0.95 0.02 0.00 0.00 176.95 178.19 3e1c s THR 73 N -2.66 1.97 0.77 2.01 -4.23 -0.39 -0.37 115.64 112.75 3e1c s THR 73 Ca 0.59 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3e1c s THR 73 Cb -0.10 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.90 3e1c s THR 73 CO 0.33 -0.21 1.13 -0.76 -0.54 0.00 0.00 174.62 174.58 3e1c s LEU 74 N -2.54 2.66 0.00 4.79 1.43 -1.26 -0.38 118.68 123.38 3e1c s LEU 74 Ca 0.16 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 3e1c s LEU 74 Cb -0.07 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3e1c s LEU 74 CO 0.07 -1.69 0.00 0.52 0.23 0.00 0.00 176.35 175.48 3e1c n VAL 75 N -3.21 0.01 -3.70 -1.59 0.31 -0.77 -4.76 118.33 104.61 3e1c n VAL 75 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 3e1c n VAL 75 Cb 0.59 -0.53 0.02 0.00 -0.91 0.00 0.00 33.84 33.01 3e1c n VAL 75 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3e1c n ARG 76 N -2.51 0.91 -3.16 5.55 -4.01 -1.25 -5.01 116.66 107.17 3e1c n ARG 76 Ca 0.00 -1.92 -0.43 0.00 -1.04 0.00 0.00 57.85 54.46 3e1c n ARG 76 Cb 0.00 2.32 -0.07 0.00 -3.04 0.00 0.00 32.46 31.67 3e1c n ARG 76 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3e1c s VAL 77 N -2.31 4.88 0.07 8.89 1.01 -1.26 -0.88 120.40 130.80 3e1c s VAL 77 Ca 0.14 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3e1c s VAL 77 Cb -0.04 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 3e1c s VAL 77 CO 0.11 -0.70 1.26 0.58 0.00 0.00 0.00 175.10 176.35 3e1c h VAL 78 N 5.85 1.31 -3.31 2.92 2.07 -0.94 -3.45 116.25 120.70 3e1c h VAL 78 Ca -0.27 -1.94 -0.40 0.00 0.82 0.00 0.00 66.70 64.92 3e1c h VAL 78 Cb 1.10 2.11 -0.38 0.00 -1.52 0.00 0.00 31.29 32.60 3e1c h VAL 78 CO 0.92 0.60 -0.75 -0.70 0.02 0.00 0.00 177.57 177.66 3e1c s GLU 79 N -3.68 0.30 -0.80 1.57 2.12 -0.98 -4.99 118.70 112.25 3e1c s GLU 79 Ca -0.11 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.17 3e1c s GLU 79 Cb 0.07 -0.72 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 3e1c s GLU 79 CO 0.88 -0.29 1.74 0.15 -0.54 0.00 0.00 175.26 177.19 3e1c s LYS 80 N 1.91 2.84 0.00 4.30 1.02 -1.26 -1.08 119.74 127.47 3e1c s LYS 80 Ca 0.03 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3e1c s LYS 80 Cb -0.12 -4.74 0.00 0.00 -0.52 0.00 0.00 37.83 32.44 3e1c s LYS 80 CO -0.04 -2.78 0.00 0.00 -0.92 0.00 0.00 175.35 171.61 3e1c n ALA 81 N 12.04 0.00 -1.84 5.17 0.00 -1.26 -4.91 120.51 129.71 3e1c n ALA 81 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3e1c n ALA 81 Cb 0.50 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3e1c n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05