#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6c s SER 2 N 0.00 6.40 0.06 1.61 0.01 -1.26 -4.78 113.70 115.74 1x6c s SER 2 Ca 0.00 -2.19 -0.36 0.00 1.31 0.00 0.00 55.95 54.71 1x6c s SER 2 Cb 0.00 -2.58 -0.19 0.00 0.21 0.00 0.00 66.02 63.46 1x6c s SER 2 CO 0.00 -1.63 1.54 0.77 0.41 0.00 0.00 173.24 174.33 1x6c h SER 3 N 8.23 -1.13 -4.57 2.44 4.64 -2.13 -3.47 113.55 117.56 1x6c h SER 3 Ca 0.38 0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.86 1x6c h SER 3 Cb 0.90 0.31 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 1x6c h SER 3 CO 1.40 -0.76 0.52 -0.83 -0.87 0.00 0.00 176.83 176.29 1x6c s GLY 4 N -1.96 -0.44 -0.30 -0.77 0.00 -1.26 -5.16 107.32 97.44 1x6c s GLY 4 Ca -0.19 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.56 1x6c s GLY 4 CO 0.57 0.42 0.88 -0.56 0.00 0.00 0.00 173.10 174.41 1x6c s SER 5 N -2.33 -0.77 1.00 1.64 0.01 -1.26 -5.16 113.70 106.83 1x6c s SER 5 Ca 0.05 0.90 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1x6c s SER 5 Cb -0.01 1.81 0.19 0.00 0.21 0.00 0.00 66.02 68.23 1x6c s SER 5 CO -0.08 -0.15 1.10 -0.94 0.41 0.00 0.00 173.24 173.59 1x6c s SER 6 N 2.65 2.24 0.00 2.44 1.04 -1.26 -5.02 113.70 115.79 1x6c s SER 6 Ca -0.00 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1x6c s SER 6 Cb -0.09 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1x6c s SER 6 CO -0.17 -3.49 0.00 0.61 0.98 0.00 0.00 173.24 171.17 1x6c n GLY 7 N 0.38 0.22 0.39 7.32 0.00 -1.26 -5.07 105.19 107.17 1x6c n GLY 7 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1x6c n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1x6c n TRP 8 N 0.00 -0.49 -1.52 1.61 4.27 -1.26 -4.53 117.44 115.52 1x6c n TRP 8 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1x6c n TRP 8 Cb 0.00 0.10 -0.08 0.00 -1.36 0.00 0.00 31.31 29.97 1x6c n TRP 8 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 1x6c n TYR 9 N -1.49 1.13 0.13 -2.67 9.36 -1.25 -3.68 117.16 118.69 1x6c n TYR 9 Ca 0.00 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.46 1x6c n TYR 9 Cb 0.00 -2.53 0.06 0.00 -0.63 0.00 0.00 39.34 36.24 1x6c n TYR 9 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1x6c h HIS 10 N 15.71 0.00 0.00 2.98 3.86 -1.17 -3.48 115.15 133.04 1x6c h HIS 10 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1x6c h HIS 10 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1x6c h HIS 10 CO 1.01 0.62 0.00 0.41 0.86 0.00 0.00 177.93 180.83 1x6c n GLY 11 N 0.98 0.85 3.40 2.45 0.00 -1.25 -4.77 105.19 106.86 1x6c n GLY 11 Ca 0.01 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 1x6c n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x6c s HIS 12 N 0.00 3.81 0.02 1.61 0.09 -1.26 0.20 115.29 119.75 1x6c s HIS 12 Ca 0.00 -2.28 0.04 0.00 -0.00 0.00 0.00 55.06 52.82 1x6c s HIS 12 Cb 0.00 -4.07 -0.03 0.00 -0.00 0.00 0.00 32.58 28.48 1x6c s HIS 12 CO 0.00 -1.18 -0.08 1.41 -0.00 0.00 0.00 174.74 174.88 1x6c s MET 13 N 0.38 2.46 -0.04 1.40 0.00 -1.26 -4.95 119.30 117.30 1x6c s MET 13 Ca 0.34 -0.78 -0.27 0.00 0.00 0.00 0.00 55.69 54.99 1x6c s MET 13 Cb -0.07 -2.45 -0.03 0.00 0.00 0.00 0.00 34.83 32.28 1x6c s MET 13 CO -0.05 0.59 0.85 0.45 0.00 0.00 0.00 175.02 176.86 1x6c s SER 14 N -1.47 7.19 0.08 1.11 0.15 -1.26 -4.57 113.70 114.93 1x6c s SER 14 Ca 0.17 1.44 -0.19 0.00 0.70 0.00 0.00 55.95 58.06 1x6c s SER 14 Cb -0.11 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.64 1x6c s SER 14 CO 0.08 -0.20 1.33 1.23 1.20 0.00 0.00 173.24 176.87 1x6c h GLY 15 N 6.84 -1.44 -0.69 9.45 0.00 -1.99 0.28 103.07 115.54 1x6c h GLY 15 Ca -0.41 0.81 0.36 0.00 0.00 0.00 0.00 47.33 48.09 1x6c h GLY 15 CO 0.76 -0.38 0.65 -1.33 0.00 0.00 0.00 176.54 176.25 1x6c h GLY 16 N -0.19 1.79 0.70 4.60 0.00 -2.01 -0.19 103.07 107.77 1x6c h GLY 16 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1x6c h GLY 16 CO -0.40 -0.46 -0.34 -1.61 0.00 0.00 0.00 176.54 173.73 1x6c h GLN 17 N 0.23 -0.90 -0.89 4.80 4.15 -0.87 -2.75 115.11 118.88 1x6c h GLN 17 Ca 0.75 0.06 0.13 0.00 0.77 0.00 0.00 58.65 60.36 1x6c h GLN 17 Cb 1.96 0.21 -0.14 0.00 0.21 0.00 0.00 27.48 29.72 1x6c h GLN 17 CO -0.54 -0.60 -0.38 0.00 -1.93 0.00 0.00 178.83 175.38 1x6c n ALA 18 N -2.47 -0.19 -0.28 3.38 0.00 -0.12 0.16 120.51 120.99 1x6c n ALA 18 Ca -0.12 0.87 0.04 0.00 0.00 0.00 0.00 53.44 54.23 1x6c n ALA 18 Cb 0.37 -0.35 0.13 0.00 0.00 0.00 0.00 19.45 19.60 1x6c n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x6c h GLU 19 N 0.00 0.02 -0.18 0.00 5.08 -1.31 1.61 114.58 119.80 1x6c h GLU 19 Ca 0.28 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1x6c h GLU 19 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x6c h GLU 19 CO -0.88 0.02 -0.29 1.15 -1.00 0.00 0.00 179.01 178.01 1x6c h THR 20 N 0.03 1.34 0.05 1.13 2.02 0.19 -0.65 112.91 117.02 1x6c h THR 20 Ca 0.41 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1x6c h THR 20 Cb 0.68 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1x6c h THR 20 CO -0.79 0.46 -0.16 -0.07 0.37 0.00 0.00 175.52 175.32 1x6c h LEU 21 N 0.17 -0.47 -0.53 2.58 4.07 0.34 1.51 115.31 122.98 1x6c h LEU 21 Ca 0.01 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1x6c h LEU 21 Cb 0.87 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 1x6c h LEU 21 CO 0.07 -0.23 0.33 -0.07 -1.08 0.00 0.00 178.44 177.45 1x6c h LEU 22 N -0.30 0.54 -0.30 1.67 3.38 0.22 -2.13 115.31 118.38 1x6c h LEU 22 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1x6c h LEU 22 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1x6c h LEU 22 CO -0.12 0.38 0.15 1.56 0.09 0.00 0.00 178.44 180.49 1x6c h GLN 23 N 0.65 0.44 -1.01 1.13 4.20 -0.41 0.34 115.11 120.44 1x6c h GLN 23 Ca 0.21 -0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.09 1x6c h GLN 23 Cb -0.01 -0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.58 1x6c h GLN 23 CO -0.08 0.41 0.62 0.00 -0.67 0.00 0.00 178.83 179.11 1x6c h ALA 24 N 1.00 1.88 0.04 3.87 0.00 0.26 -1.17 119.26 125.16 1x6c h ALA 24 Ca 0.10 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x6c h ALA 24 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x6c h ALA 24 CO -0.01 -0.32 -0.02 -0.22 0.00 0.00 0.00 179.25 178.67 1x6c h LYS 25 N 0.57 -0.05 0.00 0.00 1.63 -0.77 -3.48 116.57 114.47 1x6c h LYS 25 Ca 0.62 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 1x6c h LYS 25 Cb 1.24 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1x6c h LYS 25 CO -0.41 0.55 0.00 0.41 -3.45 0.00 0.00 179.45 176.55 1x6c n GLY 26 N 1.31 3.10 3.54 5.01 0.00 0.11 -4.98 105.19 113.28 1x6c n GLY 26 Ca -0.07 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.32 1x6c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6c n GLU 27 N -1.28 0.18 -2.47 1.61 1.02 -1.26 -4.84 120.64 113.61 1x6c n GLU 27 Ca 0.00 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1x6c n GLU 27 Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1x6c n GLU 27 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x6c s PRO 28 N 4.39 4.47 -0.05 3.49 0.04 -1.26 -3.62 135.00 142.46 1x6c s PRO 28 Ca 1.10 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.87 1x6c s PRO 28 Cb -1.42 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 29.77 1x6c s PRO 28 CO 0.72 -0.18 0.04 0.91 0.04 0.00 0.00 177.00 178.53 1x6c n TRP 29 N 3.68 -0.10 -4.06 0.56 5.03 0.31 -4.83 117.44 118.04 1x6c n TRP 29 Ca 0.08 0.04 -0.32 0.00 3.03 0.00 0.00 57.50 60.33 1x6c n TRP 29 Cb 0.47 -2.31 -0.16 0.00 -1.03 0.00 0.00 31.31 28.28 1x6c n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1x6c s THR 30 N -3.02 1.86 0.39 -0.99 2.01 -1.13 -2.30 115.64 112.47 1x6c s THR 30 Ca 0.01 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1x6c s THR 30 Cb -0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1x6c s THR 30 CO 0.03 0.33 0.32 0.72 -0.69 0.00 0.00 174.62 175.33 1x6c s PHE 31 N 1.33 2.75 -0.28 4.92 -0.71 -1.13 0.92 117.98 125.77 1x6c s PHE 31 Ca 0.01 -0.44 -0.22 0.00 -1.04 0.00 0.00 56.93 55.24 1x6c s PHE 31 Cb -0.15 -2.03 0.12 0.00 -1.21 0.00 0.00 43.02 39.75 1x6c s PHE 31 CO -0.10 0.01 0.94 -0.48 -1.34 0.00 0.00 175.22 174.26 1x6c s LEU 32 N -4.06 -0.55 -0.14 -1.99 0.05 -1.07 -1.43 118.68 109.48 1x6c s LEU 32 Ca 0.45 0.99 -0.13 0.00 0.05 0.00 0.00 54.13 55.49 1x6c s LEU 32 Cb -0.03 1.97 -0.05 0.00 -2.05 0.00 0.00 46.19 46.03 1x6c s LEU 32 CO 0.27 -0.17 0.27 -0.69 -0.55 0.00 0.00 176.35 175.49 1x6c s VAL 33 N 0.70 5.31 -0.05 1.48 1.01 -1.24 -2.92 120.40 124.67 1x6c s VAL 33 Ca -0.02 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1x6c s VAL 33 Cb -0.05 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.09 0.45 0.21 0.00 0.00 0.00 0.00 175.10 175.66 1x6c s ARG 34 N 0.08 0.36 0.28 2.72 1.70 -1.05 -0.52 118.95 122.52 1x6c s ARG 34 Ca 0.16 0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 55.20 1x6c s ARG 34 Cb -0.13 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.32 1x6c s ARG 34 CO 0.04 -0.07 1.22 -2.00 -1.08 0.00 0.00 175.30 173.42 1x6c s GLU 35 N -0.43 4.47 -0.40 3.89 2.12 0.52 -1.07 118.70 127.80 1x6c s GLU 35 Ca -0.05 2.02 -0.29 0.00 0.36 0.00 0.00 54.97 57.00 1x6c s GLU 35 Cb -0.04 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.22 1x6c s GLU 35 CO 0.01 -0.04 1.28 -1.12 -0.54 0.00 0.00 175.26 174.84 1x6c s SER 36 N -0.45 6.55 0.02 -1.70 0.01 -0.97 -4.10 113.70 113.05 1x6c s SER 36 Ca 0.49 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 58.31 1x6c s SER 36 Cb -0.36 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.15 1x6c s SER 36 CO 0.45 -1.26 1.40 -0.07 0.41 0.00 0.00 173.24 174.17 1x6c h LEU 37 N 11.45 -0.10 -1.61 2.44 3.38 -1.91 -2.77 115.31 126.18 1x6c h LEU 37 Ca -0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1x6c h LEU 37 Cb 1.09 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1x6c h LEU 37 CO 1.08 0.22 -0.19 0.28 0.09 0.00 0.00 178.44 179.92 1x6c h SER 38 N -0.42 0.00 -4.03 -0.43 0.02 -1.97 -3.34 113.55 103.38 1x6c h SER 38 Ca -0.01 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.30 1x6c h SER 38 Cb 0.36 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.49 1x6c h SER 38 CO 0.02 0.19 -0.67 -1.10 -1.14 0.00 0.00 176.83 174.13 1x6c s GLN 39 N -4.60 1.70 -0.37 3.45 1.11 -1.06 -5.07 119.66 114.81 1x6c s GLN 39 Ca -0.04 -2.28 -0.29 0.00 0.01 0.00 0.00 55.36 52.76 1x6c s GLN 39 Cb 0.16 -3.10 0.01 0.00 -1.01 0.00 0.00 33.01 29.06 1x6c s GLN 39 CO 0.70 -1.07 1.39 -1.25 0.01 0.00 0.00 175.29 175.07 1x6c s PRO 40 N 0.18 3.68 0.00 2.91 0.04 -1.13 -2.61 135.00 138.07 1x6c s PRO 40 Ca 0.15 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1x6c s PRO 40 Cb -0.24 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1x6c s PRO 40 CO -0.03 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1x6c n GLY 41 N 4.84 1.35 3.10 0.56 0.00 -1.26 -5.10 105.19 108.67 1x6c n GLY 41 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1x6c n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6c n ASP 42 N 0.00 2.80 -3.92 1.61 8.00 -1.07 -4.82 116.55 119.14 1x6c n ASP 42 Ca 0.00 -2.71 -0.09 0.00 0.71 0.00 0.00 54.79 52.70 1x6c n ASP 42 Cb 0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x6c s PHE 43 N -2.39 0.20 0.04 1.24 0.08 -1.25 -2.29 117.98 113.62 1x6c s PHE 43 Ca 0.14 -0.52 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1x6c s PHE 43 Cb -0.01 -0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 1x6c s PHE 43 CO 0.09 -0.39 -0.26 0.08 -0.10 0.00 0.00 175.22 174.63 1x6c s VAL 44 N -2.80 2.13 -0.29 -0.44 1.01 -0.24 -0.94 120.40 118.83 1x6c s VAL 44 Ca -0.03 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1x6c s VAL 44 Cb -0.00 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1x6c s VAL 44 CO -0.05 0.37 -0.05 -0.22 0.00 0.00 0.00 175.10 175.14 1x6c s LEU 45 N -1.23 3.85 -0.41 3.92 2.96 -0.94 -2.54 118.68 124.30 1x6c s LEU 45 Ca 0.12 -1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 52.24 1x6c s LEU 45 Cb -0.10 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.06 1x6c s LEU 45 CO 0.02 -0.26 0.28 -0.44 -1.32 0.00 0.00 176.35 174.64 1x6c s SER 46 N 1.05 6.02 -0.12 3.68 0.01 -1.15 0.14 113.70 123.34 1x6c s SER 46 Ca -0.02 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.26 1x6c s SER 46 Cb -0.20 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1x6c s SER 46 CO -0.06 -0.45 -0.04 -0.69 0.41 0.00 0.00 173.24 172.41 1x6c s VAL 47 N 1.65 3.95 -0.12 3.43 1.01 0.15 -2.61 120.40 127.84 1x6c s VAL 47 Ca 0.04 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1x6c s VAL 47 Cb -0.19 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1x6c s VAL 47 CO 0.09 0.54 0.82 -0.22 0.00 0.00 0.00 175.10 176.33 1x6c s LEU 48 N -0.17 4.23 0.32 3.92 2.96 0.26 -1.75 118.68 128.46 1x6c s LEU 48 Ca 0.03 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1x6c s LEU 48 Cb -0.13 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1x6c s LEU 48 CO 0.02 -0.32 0.54 -0.94 -1.32 0.00 0.00 176.35 174.33 1x6c s SER 49 N 1.05 6.33 -0.08 3.68 1.04 -1.15 0.12 113.70 124.69 1x6c s SER 49 Ca 0.40 0.50 0.08 0.00 0.48 0.00 0.00 55.95 57.41 1x6c s SER 49 Cb -0.17 -2.05 0.37 0.00 0.10 0.00 0.00 66.02 64.26 1x6c s SER 49 CO 0.16 -0.26 1.15 -0.90 0.98 0.00 0.00 173.24 174.37 1x6c n ASP 50 N -1.53 2.83 -4.32 7.02 5.75 -1.26 -4.55 116.55 120.49 1x6c n ASP 50 Ca -0.04 -2.30 -0.40 0.00 -0.01 0.00 0.00 54.79 52.04 1x6c n ASP 50 Cb 0.55 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 40.06 1x6c n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1x6c s GLN 51 N -1.74 2.71 1.01 0.11 -0.21 -1.26 -5.06 119.66 115.21 1x6c s GLN 51 Ca 0.25 -1.19 -0.15 0.00 0.02 0.00 0.00 55.36 54.29 1x6c s GLN 51 Cb 0.18 -3.65 0.20 0.00 1.00 0.00 0.00 33.01 30.73 1x6c s GLN 51 CO 0.10 -0.74 1.19 -1.25 -2.12 0.00 0.00 175.29 172.47 1x6c s PRO 52 N 1.48 0.29 -0.20 2.91 0.04 -1.26 -2.19 135.00 136.07 1x6c s PRO 52 Ca 0.01 -0.03 -0.10 0.00 0.04 0.00 0.00 61.00 60.92 1x6c s PRO 52 Cb -0.20 -1.77 -0.20 0.00 0.04 0.00 0.00 34.50 32.37 1x6c s PRO 52 CO 0.04 -2.71 0.08 1.63 0.04 0.00 0.00 177.00 176.08 1x6c n LYS 53 N -4.06 0.66 -0.02 4.56 5.02 -1.19 -4.65 118.16 118.48 1x6c n LYS 53 Ca 0.11 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1x6c n LYS 53 Cb 0.59 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1x6c n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6c n ALA 54 N -3.37 1.98 0.00 7.82 0.00 -1.26 -5.11 120.51 120.56 1x6c n ALA 54 Ca -0.39 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1x6c n ALA 54 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1x6c n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6c n GLY 55 N 2.56 0.30 3.61 0.00 0.00 -1.26 -4.97 105.19 105.43 1x6c n GLY 55 Ca -0.05 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1x6c n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6c s PRO 56 N 0.00 3.71 0.00 1.61 0.04 -1.26 -2.31 135.00 136.80 1x6c s PRO 56 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1x6c s PRO 56 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1x6c s PRO 56 CO 0.00 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1x6c n GLY 57 N 4.78 0.79 3.60 0.56 0.00 -1.26 -5.10 105.19 108.56 1x6c n GLY 57 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1x6c n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6c s SER 58 N -1.59 4.43 0.28 1.61 1.04 -0.98 -5.06 113.70 113.44 1x6c s SER 58 Ca 0.00 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 1x6c s SER 58 Cb 0.00 -0.83 -0.09 0.00 0.10 0.00 0.00 66.02 65.20 1x6c s SER 58 CO 0.00 0.11 1.08 -2.16 0.98 0.00 0.00 173.24 173.25 1x6c s PRO 59 N -2.80 4.63 -0.05 4.02 0.04 -1.26 -4.73 135.00 134.85 1x6c s PRO 59 Ca 0.25 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1x6c s PRO 59 Cb -0.09 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1x6c s PRO 59 CO 0.16 0.22 1.13 -0.51 0.04 0.00 0.00 177.00 178.04 1x6c s LEU 60 N -1.51 4.29 0.98 -3.56 1.43 -1.26 -3.20 118.68 115.85 1x6c s LEU 60 Ca 0.45 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 1x6c s LEU 60 Cb -0.31 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1x6c s LEU 60 CO 0.39 -0.51 -0.23 0.54 0.23 0.00 0.00 176.35 176.77 1x6c n ARG 61 N 4.89 -0.20 -4.37 1.70 1.74 -0.93 -4.73 116.66 114.77 1x6c n ARG 61 Ca 0.10 -0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 1x6c n ARG 61 Cb 0.47 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 1x6c n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1x6c s VAL 62 N -2.20 1.71 -0.16 1.55 1.01 -1.26 -2.94 120.40 118.11 1x6c s VAL 62 Ca 0.48 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1x6c s VAL 62 Cb -0.18 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1x6c s VAL 62 CO 0.75 0.00 -0.13 -0.89 0.00 0.00 0.00 175.10 174.83 1x6c s THR 63 N -1.07 1.57 -0.37 3.92 2.01 -0.72 -4.98 115.64 116.00 1x6c s THR 63 Ca 0.07 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1x6c s THR 63 Cb -0.10 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1x6c s THR 63 CO 0.04 0.40 0.27 -1.00 -0.69 0.00 0.00 174.62 173.64 1x6c s HIS 64 N 1.48 3.23 -0.75 4.92 3.76 -1.25 -0.68 115.29 126.00 1x6c s HIS 64 Ca 0.04 -0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 54.46 1x6c s HIS 64 Cb -0.13 -2.54 0.19 0.00 1.11 0.00 0.00 32.58 31.21 1x6c s HIS 64 CO -0.10 -0.45 0.70 0.42 -0.85 0.00 0.00 174.74 174.46 1x6c s ILE 65 N 1.73 5.50 0.02 0.60 1.09 0.38 -4.85 121.20 125.67 1x6c s ILE 65 Ca 0.06 -2.21 -0.31 0.00 -1.10 0.00 0.00 60.65 57.09 1x6c s ILE 65 Cb -0.18 -4.44 -0.10 0.00 -1.06 0.00 0.00 42.46 36.68 1x6c s ILE 65 CO 0.10 -0.99 1.94 0.29 -0.10 0.00 0.00 174.94 176.19 1x6c n LYS 66 N 4.34 2.72 -3.09 2.79 5.02 -1.26 -2.22 118.16 126.45 1x6c n LYS 66 Ca 0.07 1.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.95 1x6c n LYS 66 Cb 0.45 -2.92 -0.05 0.00 -0.02 0.00 0.00 35.03 32.48 1x6c n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x6c s VAL 67 N 4.23 5.02 -0.38 -0.18 1.01 -0.12 -4.53 120.40 125.46 1x6c s VAL 67 Ca 0.89 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 1x6c s VAL 67 Cb -0.49 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 31.91 1x6c s VAL 67 CO 0.44 0.15 0.54 -0.04 0.00 0.00 0.00 175.10 176.19 1x6c s MET 68 N 1.58 3.48 -0.69 2.72 -1.94 0.46 -3.92 119.30 120.98 1x6c s MET 68 Ca 0.32 -0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 53.90 1x6c s MET 68 Cb -0.16 -3.86 0.18 0.00 2.01 0.00 0.00 34.83 32.99 1x6c s MET 68 CO 0.12 -0.76 0.61 0.00 -0.01 0.00 0.00 175.02 174.98 1x6c s GLU 70 N 0.62 1.73 -1.42 0.00 2.02 0.13 -4.73 118.70 117.05 1x6c s GLU 70 Ca 0.13 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 1x6c s GLU 70 Cb -0.18 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.63 1x6c s GLU 70 CO -0.04 0.04 0.26 0.41 0.02 0.00 0.00 175.26 175.94 1x6c n GLY 71 N 3.77 -0.35 2.32 -1.39 0.00 -1.26 -1.42 105.19 106.85 1x6c n GLY 71 Ca -0.23 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1x6c n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6c n GLY 72 N -1.21 0.71 3.17 -0.02 0.00 -1.26 -5.00 105.19 101.57 1x6c n GLY 72 Ca -0.15 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1x6c n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6c s ARG 73 N -3.77 1.61 -0.13 1.61 0.52 -0.51 -4.62 118.95 113.66 1x6c s ARG 73 Ca 0.00 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 1x6c s ARG 73 Cb 0.00 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 1x6c s ARG 73 CO 0.00 0.34 0.09 0.71 0.02 0.00 0.00 175.30 176.46 1x6c s TYR 74 N -0.26 3.41 -0.08 -0.53 2.02 0.03 -0.69 117.35 121.25 1x6c s TYR 74 Ca 0.03 0.34 -0.23 0.00 -0.37 0.00 0.00 57.07 56.84 1x6c s TYR 74 Cb -0.09 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1x6c s TYR 74 CO 0.00 0.51 0.53 -0.08 -1.57 0.00 0.00 175.55 174.94 1x6c s THR 75 N -0.55 0.02 -2.19 -0.71 -1.32 -0.16 -1.55 115.64 109.17 1x6c s THR 75 Ca 0.11 -0.15 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 1x6c s THR 75 Cb -0.12 -0.82 0.43 0.00 -1.51 0.00 0.00 72.50 70.48 1x6c s THR 75 CO 0.02 -0.08 1.43 1.33 -2.21 0.00 0.00 174.62 175.11 1x6c n VAL 76 N 1.52 0.45 0.00 5.08 0.24 -1.26 0.17 118.33 124.53 1x6c n VAL 76 Ca -0.18 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1x6c n VAL 76 Cb 0.56 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1x6c n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x6c n GLY 77 N 1.25 1.58 3.88 7.63 0.00 -1.26 -4.88 105.19 113.39 1x6c n GLY 77 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1x6c n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x6c s GLY 78 N -2.00 2.32 0.18 -0.02 0.00 -1.26 -5.03 107.32 101.51 1x6c s GLY 78 Ca 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 44.72 43.20 1x6c s GLY 78 CO 0.00 -1.90 1.53 1.41 0.00 0.00 0.00 173.10 174.14 1x6c h LEU 79 N 0.86 0.80 -9.98 0.66 4.07 -2.00 -3.44 115.31 106.27 1x6c h LEU 79 Ca -0.38 -0.37 -0.53 0.00 0.08 0.00 0.00 57.88 56.68 1x6c h LEU 79 Cb 1.29 -0.23 0.09 0.00 1.08 0.00 0.00 40.66 42.90 1x6c h LEU 79 CO 0.58 1.11 0.60 -1.61 -1.08 0.00 0.00 178.44 178.04 1x6c s GLU 80 N -4.30 3.74 0.27 1.13 2.02 -1.26 -5.03 118.70 115.28 1x6c s GLU 80 Ca -0.09 2.12 0.05 0.00 0.02 0.00 0.00 54.97 57.07 1x6c s GLU 80 Cb 0.12 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 1x6c s GLU 80 CO 0.85 -0.67 0.17 0.25 0.02 0.00 0.00 175.26 175.89 1x6c n THR 81 N -0.24 0.00 -3.71 3.63 -2.24 -1.26 -4.65 114.28 105.81 1x6c n THR 81 Ca 0.06 -1.79 -0.10 0.00 -2.27 0.00 0.00 64.05 59.95 1x6c n THR 81 Cb 0.45 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1x6c n THR 81 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x6c s PHE 82 N -2.88 -0.16 -0.20 4.78 0.08 -0.60 -4.89 117.98 114.11 1x6c s PHE 82 Ca 0.24 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.14 1x6c s PHE 82 Cb 0.01 0.41 -0.21 0.00 -0.57 0.00 0.00 43.02 42.66 1x6c s PHE 82 CO 0.17 -0.91 0.02 -0.25 -0.10 0.00 0.00 175.22 174.15 1x6c n ASP 83 N -0.34 1.67 -4.26 1.36 9.92 -1.26 -0.79 116.55 122.84 1x6c n ASP 83 Ca -0.11 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.91 1x6c n ASP 83 Cb 0.63 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.67 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1x6c s SER 84 N -6.48 2.48 0.57 -2.24 1.04 -1.26 -4.83 113.70 102.97 1x6c s SER 84 Ca -0.26 -0.58 0.27 0.00 0.48 0.00 0.00 55.95 55.85 1x6c s SER 84 Cb 0.08 -0.18 1.53 0.00 0.10 0.00 0.00 66.02 67.55 1x6c s SER 84 CO 0.69 0.12 2.04 -0.07 0.98 0.00 0.00 173.24 176.99 1x6c h LEU 85 N 4.56 0.00 -0.07 2.42 -0.00 -1.98 -0.15 115.31 120.09 1x6c h LEU 85 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1x6c h LEU 85 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1x6c h LEU 85 CO 0.42 0.00 0.02 0.74 -0.00 0.00 0.00 178.44 179.62 1x6c h THR 86 N 0.00 1.18 0.00 0.22 2.02 -1.98 0.56 112.91 114.91 1x6c h THR 86 Ca 0.15 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1x6c h THR 86 Cb 0.73 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1x6c h THR 86 CO -0.00 0.15 0.00 -0.78 0.37 0.00 0.00 175.52 175.26 1x6c h ASP 87 N -0.08 0.00 0.00 4.18 3.58 -1.46 0.55 116.42 123.19 1x6c h ASP 87 Ca 0.02 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1x6c h ASP 87 Cb 0.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1x6c h ASP 87 CO -0.00 0.00 -0.56 0.25 -2.88 0.00 0.00 179.24 176.05 1x6c h LEU 88 N 0.00 0.00 -0.64 2.28 6.46 -0.51 -3.12 115.31 119.77 1x6c h LEU 88 Ca 0.00 -0.57 -0.11 0.00 -0.12 0.00 0.00 57.88 57.08 1x6c h LEU 88 Cb 0.33 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1x6c h LEU 88 CO 0.00 1.11 -0.12 0.58 -0.62 0.00 0.00 178.44 179.39 1x6c h VAL 89 N -1.00 1.27 0.00 1.05 2.07 0.29 -1.42 116.25 118.50 1x6c h VAL 89 Ca -0.14 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1x6c h VAL 89 Cb 0.95 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1x6c h VAL 89 CO -0.08 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.32 1x6c n GLU 90 N -4.15 0.01 -0.08 1.57 1.02 0.19 0.10 120.64 119.31 1x6c n GLU 90 Ca 0.01 0.32 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1x6c n GLU 90 Cb 0.40 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1x6c n GLU 90 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x6c h HIS 91 N 0.00 0.00 0.00 -0.32 2.76 -1.22 -3.37 115.15 113.01 1x6c h HIS 91 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1x6c h HIS 91 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1x6c h HIS 91 CO 0.00 0.39 0.00 1.19 -1.30 0.00 0.00 177.93 178.21 1x6c n PHE 92 N -4.58 0.00 0.24 5.26 3.72 -0.86 -2.83 117.46 118.41 1x6c n PHE 92 Ca -0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1x6c n PHE 92 Cb 0.36 -0.36 0.55 0.00 -0.94 0.00 0.00 39.48 39.08 1x6c n PHE 92 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1x6c n LYS 93 N -1.36 0.15 0.03 -1.08 5.02 0.11 -0.49 118.16 120.55 1x6c n LYS 93 Ca 0.09 0.57 -0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1x6c n LYS 93 Cb 0.21 -1.92 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1x6c n LYS 93 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x6c n LYS 94 N -2.24 0.01 -0.30 1.97 2.85 -1.13 -4.44 118.16 114.88 1x6c n LYS 94 Ca -0.00 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.34 1x6c n LYS 94 Cb 0.10 -0.35 0.23 0.00 -0.65 0.00 0.00 35.03 34.36 1x6c n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1x6c h THR 95 N -0.02 0.73 0.00 0.58 1.35 -1.63 -3.48 112.91 110.45 1x6c h THR 95 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1x6c h THR 95 Cb 0.02 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1x6c h THR 95 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1x6c n GLY 96 N -1.33 -2.57 3.40 5.82 0.00 0.35 -4.99 105.19 105.88 1x6c n GLY 96 Ca 0.18 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1x6c n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6c s ILE 97 N -0.63 2.19 -0.12 -0.61 1.01 0.31 -4.82 121.20 118.54 1x6c s ILE 97 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1x6c s ILE 97 Cb 0.00 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1x6c s ILE 97 CO 0.00 -0.21 -0.12 -0.70 0.00 0.00 0.00 174.94 173.91 1x6c s GLU 98 N -2.80 3.23 0.93 2.79 2.12 -1.26 0.18 118.70 123.89 1x6c s GLU 98 Ca 0.20 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.74 1x6c s GLU 98 Cb -0.07 -2.62 0.19 0.00 0.26 0.00 0.00 34.13 31.89 1x6c s GLU 98 CO 0.09 0.32 1.27 -1.21 -0.54 0.00 0.00 175.26 175.19 1x6c s GLU 99 N 0.09 0.77 0.12 4.30 2.02 0.20 -4.95 118.70 121.26 1x6c s GLU 99 Ca -0.05 -0.55 0.24 0.00 0.02 0.00 0.00 54.97 54.63 1x6c s GLU 99 Cb -0.14 -1.93 0.29 0.00 0.10 0.00 0.00 34.13 32.45 1x6c s GLU 99 CO 0.04 -2.28 1.27 0.00 0.02 0.00 0.00 175.26 174.32 1x6c h ALA 100 N -1.47 0.55 0.00 5.21 0.00 -2.00 -3.25 119.26 118.30 1x6c h ALA 100 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x6c h ALA 100 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x6c h ALA 100 CO 0.37 0.00 -0.10 -1.13 0.00 0.00 0.00 179.25 178.40 1x6c n SER 101 N -2.16 0.59 0.00 0.00 3.41 -1.26 -4.90 113.62 109.30 1x6c n SER 101 Ca 0.03 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1x6c n SER 101 Cb 0.45 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 102 N 1.37 2.80 3.81 5.00 0.00 -1.23 -5.08 105.19 111.86 1x6c n GLY 102 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1x6c n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6c s ALA 103 N -2.47 2.86 0.17 4.61 0.00 -1.26 -4.75 121.76 120.91 1x6c s ALA 103 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1x6c s ALA 103 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1x6c s ALA 103 CO 0.00 -0.51 0.00 -0.06 0.00 0.00 0.00 175.76 175.19 1x6c s PHE 104 N -2.35 2.85 0.11 0.00 0.40 -1.26 0.63 117.98 118.35 1x6c s PHE 104 Ca 0.64 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.91 1x6c s PHE 104 Cb -0.15 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1x6c s PHE 104 CO 0.30 0.52 -0.19 0.08 0.70 0.00 0.00 175.22 176.63 1x6c s VAL 105 N -1.73 1.62 0.04 -0.44 1.01 0.49 -4.90 120.40 116.48 1x6c s VAL 105 Ca 0.27 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1x6c s VAL 105 Cb -0.09 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1x6c s VAL 105 CO 0.19 -0.14 -0.08 -0.31 0.00 0.00 0.00 175.10 174.76 1x6c s TYR 106 N -1.34 0.66 -0.94 5.22 2.02 -1.26 0.11 117.35 121.82 1x6c s TYR 106 Ca 0.06 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 1x6c s TYR 106 Cb -0.09 -0.40 0.24 0.00 -0.40 0.00 0.00 41.96 41.31 1x6c s TYR 106 CO 0.04 -0.07 0.91 -0.51 -1.57 0.00 0.00 175.55 174.34 1x6c s LEU 107 N -1.44 6.60 0.06 -1.29 1.02 -1.26 -4.48 118.68 117.89 1x6c s LEU 107 Ca -0.09 -3.06 -0.18 0.00 0.02 0.00 0.00 54.13 50.83 1x6c s LEU 107 Cb -0.09 -2.21 -0.12 0.00 0.02 0.00 0.00 46.19 43.79 1x6c s LEU 107 CO 0.00 -0.46 1.37 0.03 0.02 0.00 0.00 176.35 177.31 1x6c h ARG 108 N 7.33 0.50 -2.88 1.70 3.08 -1.74 -3.45 114.38 118.92 1x6c h ARG 108 Ca 0.14 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1x6c h ARG 108 Cb 0.97 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 30.82 1x6c h ARG 108 CO 0.86 0.85 -0.24 1.14 -1.07 0.00 0.00 179.97 181.51 1x6c s GLN 109 N -4.29 0.63 0.63 0.04 -2.07 -1.05 -5.09 119.66 108.45 1x6c s GLN 109 Ca -0.13 0.08 -0.11 0.00 -1.82 0.00 0.00 55.36 53.38 1x6c s GLN 109 Cb 0.07 0.29 0.15 0.00 -1.09 0.00 0.00 33.01 32.42 1x6c s GLN 109 CO 0.79 -0.15 0.69 -0.35 -1.32 0.00 0.00 175.29 174.95 1x6c n PRO 110 N 1.77 -1.46 -5.18 9.60 -0.04 -1.26 -2.85 135.00 135.57 1x6c n PRO 110 Ca -0.19 -1.09 -0.29 0.00 -0.04 0.00 0.00 63.50 61.89 1x6c n PRO 110 Cb 0.56 -0.85 -0.16 0.00 -0.04 0.00 0.00 33.50 33.01 1x6c n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1x6c s TYR 111 N -2.40 2.12 0.19 0.54 5.04 -0.52 -4.67 117.35 117.65 1x6c s TYR 111 Ca 0.42 -0.41 0.11 0.00 -2.44 0.00 0.00 57.07 54.75 1x6c s TYR 111 Cb -0.02 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.88 1x6c s TYR 111 CO 0.31 -0.04 -0.24 0.71 -1.34 0.00 0.00 175.55 174.95 1x6c s TYR 112 N -0.54 2.25 -0.04 4.97 1.51 -1.26 -4.56 117.35 119.68 1x6c s TYR 112 Ca 0.09 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1x6c s TYR 112 Cb -0.09 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1x6c s TYR 112 CO -0.01 0.48 -0.25 -1.54 -1.11 0.00 0.00 175.55 173.12 1x6c s SER 113 N -2.65 3.11 0.02 2.29 1.04 -1.26 -5.12 113.70 111.13 1x6c s SER 113 Ca 0.20 -0.48 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 1x6c s SER 113 Cb -0.08 -0.59 0.09 0.00 0.10 0.00 0.00 66.02 65.54 1x6c s SER 113 CO 0.09 0.29 0.77 -0.83 0.98 0.00 0.00 173.24 174.54 1x6c s GLY 114 N -0.41 -0.51 -0.06 7.32 0.00 -1.26 -5.08 107.32 107.32 1x6c s GLY 114 Ca 0.04 1.05 -0.10 0.00 0.00 0.00 0.00 44.72 45.70 1x6c s GLY 114 CO 0.01 0.49 0.41 -0.56 0.00 0.00 0.00 173.10 173.46 1x6c h PRO 115 N 2.26 -0.33 0.00 2.90 0.13 -2.08 -3.45 132.00 131.43 1x6c h PRO 115 Ca -0.26 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1x6c h PRO 115 Cb 1.23 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x6c h PRO 115 CO 0.35 -0.20 -0.37 0.45 -0.23 0.00 0.00 178.00 178.00 1x6c n SER 116 N -5.00 0.66 -1.75 1.44 2.88 -1.26 -5.14 113.62 105.45 1x6c n SER 116 Ca -0.04 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x6c n SER 116 Cb 0.14 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1x6c n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6c n SER 117 N -3.30 -6.73 0.00 -3.46 7.64 -1.26 -5.25 113.62 101.26 1x6c n SER 117 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1x6c n SER 117 Cb 0.18 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64