#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 5.84 -0.25 1.61 0.01 -1.26 -5.10 113.70 114.54 1x6c s SER 2 Ca 0.00 -0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 1x6c s SER 2 Cb 0.00 -1.52 0.09 0.00 0.21 0.00 0.00 66.02 64.79 1x6c s SER 2 CO 0.00 -0.11 0.12 -0.44 0.41 0.00 0.00 173.24 173.22 1x6c s SER 3 N -3.93 3.19 0.00 2.44 0.01 -1.26 -4.99 113.70 109.16 1x6c s SER 3 Ca 0.35 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1x6c s SER 3 Cb -0.08 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1x6c s SER 3 CO 0.27 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1x6c n GLY 4 N 5.25 1.13 0.00 3.44 0.00 -1.26 -5.05 105.19 108.71 1x6c n GLY 4 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6c n SER 5 N 0.00 0.00 -3.15 1.61 2.88 -1.26 -5.13 113.62 108.58 1x6c n SER 5 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1x6c n SER 5 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1x6c n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6c n SER 6 N 0.00 -2.46 -3.11 -3.46 7.64 -1.26 -5.00 113.62 105.97 1x6c n SER 6 Ca 0.00 -0.29 -0.21 0.00 1.01 0.00 0.00 58.87 59.38 1x6c n SER 6 Cb 0.00 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 1x6c n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 7 N -1.61 2.34 0.00 0.23 0.00 -1.26 -4.87 105.19 100.02 1x6c n GLY 7 Ca 0.05 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 1.44 0.00 -1.58 1.61 4.27 -1.26 -4.91 117.44 117.02 1x6c n TRP 8 Ca 0.19 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.46 1x6c n TRP 8 Cb 0.55 -0.25 -0.03 0.00 -1.36 0.00 0.00 31.31 30.22 1x6c n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1x6c s TYR 9 N -2.83 1.10 0.27 -2.67 5.04 -1.26 -3.26 117.35 113.75 1x6c s TYR 9 Ca -0.03 1.58 0.17 0.00 -2.44 0.00 0.00 57.07 56.35 1x6c s TYR 9 Cb 0.10 -3.59 0.75 0.00 0.35 0.00 0.00 41.96 39.56 1x6c s TYR 9 CO 0.59 -2.43 1.79 0.45 -1.34 0.00 0.00 175.55 174.61 1x6c h HIS 10 N 18.82 0.00 0.00 4.97 3.86 -1.04 -3.49 115.15 138.27 1x6c h HIS 10 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1x6c h HIS 10 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1x6c h HIS 10 CO 0.98 0.38 0.00 0.41 0.86 0.00 0.00 177.93 180.56 1x6c n GLY 11 N -0.08 0.68 3.53 2.45 0.00 -1.25 -4.83 105.19 105.68 1x6c n GLY 11 Ca -0.01 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 2.66 0.07 1.61 3.76 -1.26 0.72 115.29 122.85 1x6c s HIS 12 Ca 0.00 -0.87 0.06 0.00 -0.15 0.00 0.00 55.06 54.10 1x6c s HIS 12 Cb 0.00 -4.56 -0.04 0.00 1.11 0.00 0.00 32.58 29.09 1x6c s HIS 12 CO 0.00 -1.83 -0.08 1.41 -0.85 0.00 0.00 174.74 173.40 1x6c s MET 13 N 4.44 2.31 -0.15 1.40 0.00 -1.26 -4.96 119.30 121.08 1x6c s MET 13 Ca 0.40 -0.91 -0.24 0.00 0.00 0.00 0.00 55.69 54.94 1x6c s MET 13 Cb -0.03 -2.39 -0.02 0.00 0.00 0.00 0.00 34.83 32.39 1x6c s MET 13 CO -0.06 0.54 0.77 0.45 0.00 0.00 0.00 175.02 176.72 1x6c s SER 14 N -1.98 6.91 0.09 1.11 0.15 -1.26 -4.75 113.70 113.97 1x6c s SER 14 Ca 0.21 1.11 -0.18 0.00 0.70 0.00 0.00 55.95 57.79 1x6c s SER 14 Cb -0.11 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1x6c s SER 14 CO 0.13 -0.32 1.22 0.61 1.20 0.00 0.00 173.24 176.07 1x6c n GLY 15 N 3.46 -2.54 0.38 9.45 0.00 -1.26 0.15 105.19 114.84 1x6c n GLY 15 Ca 0.02 0.89 0.24 0.00 0.00 0.00 0.00 46.02 47.16 1x6c n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x6c h GLY 16 N 0.00 1.61 0.63 -0.02 0.00 -2.00 -1.16 103.07 102.13 1x6c h GLY 16 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1x6c h GLY 16 CO -0.55 -0.29 -0.30 -1.61 0.00 0.00 0.00 176.54 173.79 1x6c h GLN 17 N 0.38 -0.81 -0.93 4.80 4.15 0.96 -2.46 115.11 121.20 1x6c h GLN 17 Ca 0.67 0.06 0.18 0.00 0.77 0.00 0.00 58.65 60.33 1x6c h GLN 17 Cb 1.62 0.18 -0.17 0.00 0.21 0.00 0.00 27.48 29.32 1x6c h GLN 17 CO -0.43 -0.54 -0.25 0.00 -1.93 0.00 0.00 178.83 175.68 1x6c n ALA 18 N -2.49 0.19 -0.18 3.38 0.00 -0.12 0.20 120.51 121.48 1x6c n ALA 18 Ca -0.10 1.01 -0.01 0.00 0.00 0.00 0.00 53.44 54.34 1x6c n ALA 18 Cb 0.33 -0.59 0.09 0.00 0.00 0.00 0.00 19.45 19.28 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 0.18 -0.23 0.00 5.08 -1.27 1.19 114.58 119.54 1x6c h GLU 19 Ca 0.43 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.61 1x6c h GLU 19 Cb 0.66 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1x6c h GLU 19 CO -0.95 0.12 -0.54 1.15 -1.00 0.00 0.00 179.01 177.79 1x6c h THR 20 N 0.19 1.30 0.57 1.13 2.02 0.27 -1.02 112.91 117.37 1x6c h THR 20 Ca 0.28 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 1x6c h THR 20 Cb 0.43 1.70 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1x6c h THR 20 CO -0.41 0.56 -0.27 -0.07 0.37 0.00 0.00 175.52 175.70 1x6c h LEU 21 N 0.53 -0.65 -1.08 2.58 4.07 0.29 1.53 115.31 122.59 1x6c h LEU 21 Ca 0.01 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.04 1x6c h LEU 21 Cb 1.11 0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.95 1x6c h LEU 21 CO 0.11 -0.36 0.62 -0.07 -1.08 0.00 0.00 178.44 177.66 1x6c h LEU 22 N -0.92 0.92 0.09 1.67 3.38 0.13 -1.41 115.31 119.17 1x6c h LEU 22 Ca -0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1x6c h LEU 22 Cb 0.64 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x6c h LEU 22 CO 0.13 0.54 -0.04 1.56 0.09 0.00 0.00 178.44 180.72 1x6c h GLN 23 N 1.01 -0.11 -1.20 1.13 4.20 -0.91 -0.66 115.11 118.58 1x6c h GLN 23 Ca 0.45 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.51 1x6c h GLN 23 Cb 0.36 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 1x6c h GLN 23 CO -0.20 0.32 0.81 0.00 -0.67 0.00 0.00 178.83 179.08 1x6c h ALA 24 N 0.26 2.70 0.16 3.87 0.00 0.28 -0.42 119.26 126.11 1x6c h ALA 24 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x6c h ALA 24 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x6c h ALA 24 CO 0.02 -1.14 -0.08 -0.22 0.00 0.00 0.00 179.25 177.83 1x6c h LYS 25 N 0.19 -0.21 0.00 0.00 1.63 -1.10 -3.48 116.57 113.60 1x6c h LYS 25 Ca 0.65 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.47 1x6c h LYS 25 Cb 2.09 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.77 1x6c h LYS 25 CO -0.22 -0.13 0.00 0.41 -3.45 0.00 0.00 179.45 176.06 1x6c n GLY 26 N 1.21 3.35 3.50 5.01 0.00 -0.17 -5.01 105.19 113.09 1x6c n GLY 26 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.71 0.97 -2.51 1.61 1.02 -1.26 -4.88 120.64 113.89 1x6c n GLU 27 Ca 0.00 0.30 -0.40 0.00 -0.02 0.00 0.00 57.16 57.04 1x6c n GLU 27 Cb 0.00 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.15 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 5.34 4.65 -0.56 3.49 0.04 -1.26 -3.33 135.00 143.37 1x6c s PRO 28 Ca 1.07 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.84 1x6c s PRO 28 Cb -1.01 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1x6c s PRO 28 CO 0.57 0.22 0.49 0.91 0.04 0.00 0.00 177.00 179.22 1x6c n TRP 29 N 1.43 -1.18 -3.83 0.56 5.03 0.55 -4.76 117.44 115.25 1x6c n TRP 29 Ca -0.01 0.42 -0.36 0.00 3.03 0.00 0.00 57.50 60.59 1x6c n TRP 29 Cb 0.45 -2.77 -0.13 0.00 -1.03 0.00 0.00 31.31 27.83 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 -3.14 3.66 0.36 -0.99 2.01 -1.10 0.17 115.64 116.61 1x6c s THR 30 Ca 0.22 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.63 1x6c s THR 30 Cb -0.10 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1x6c s THR 30 CO 0.31 0.20 0.31 0.72 -0.69 0.00 0.00 174.62 175.47 1x6c s PHE 31 N 1.47 2.83 -0.26 4.92 -0.71 -1.02 0.44 117.98 125.65 1x6c s PHE 31 Ca 0.03 -0.37 -0.25 0.00 -1.04 0.00 0.00 56.93 55.30 1x6c s PHE 31 Cb -0.16 -1.91 0.10 0.00 -1.21 0.00 0.00 43.02 39.83 1x6c s PHE 31 CO -0.00 0.09 0.87 -0.48 -1.34 0.00 0.00 175.22 174.37 1x6c s LEU 32 N -4.03 -0.60 -0.14 -1.99 0.05 -0.59 -0.29 118.68 111.09 1x6c s LEU 32 Ca 0.43 1.13 -0.13 0.00 0.05 0.00 0.00 54.13 55.61 1x6c s LEU 32 Cb -0.05 2.18 -0.05 0.00 -2.05 0.00 0.00 46.19 46.23 1x6c s LEU 32 CO 0.27 -0.22 0.27 -0.69 -0.55 0.00 0.00 176.35 175.43 1x6c s VAL 33 N 0.21 5.31 -0.03 1.48 1.01 -1.20 -2.36 120.40 124.82 1x6c s VAL 33 Ca 0.01 0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 1x6c s VAL 33 Cb -0.05 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.02 0.45 0.19 0.00 0.00 0.00 0.00 175.10 175.72 1x6c s ARG 34 N 0.05 0.44 0.29 2.72 1.70 -0.45 -0.35 118.95 123.35 1x6c s ARG 34 Ca 0.16 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.99 1x6c s ARG 34 Cb -0.13 0.19 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 1x6c s ARG 34 CO 0.04 -0.10 1.11 -2.00 -1.08 0.00 0.00 175.30 173.27 1x6c s GLU 35 N -0.90 4.61 0.32 3.89 2.12 0.22 0.97 118.70 129.94 1x6c s GLU 35 Ca -0.10 1.82 -0.27 0.00 0.36 0.00 0.00 54.97 56.79 1x6c s GLU 35 Cb -0.05 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 1x6c s GLU 35 CO 0.02 0.18 1.01 0.45 -0.54 0.00 0.00 175.26 176.38 1x6c s SER 36 N -0.87 7.20 -0.23 -1.70 0.15 -0.23 -4.07 113.70 113.95 1x6c s SER 36 Ca 0.45 2.02 -0.18 0.00 0.70 0.00 0.00 55.95 58.94 1x6c s SER 36 Cb -0.32 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.24 1x6c s SER 36 CO 0.42 -0.17 -0.06 0.18 1.20 0.00 0.00 173.24 174.80 1x6c n LEU 37 N 0.68 1.90 0.26 3.45 4.77 -1.26 -4.23 117.00 122.57 1x6c n LEU 37 Ca 0.01 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1x6c n LEU 37 Cb 0.48 -0.89 0.71 0.00 -2.33 0.00 0.00 43.42 41.39 1x6c n LEU 37 CO 0.48 0.32 0.97 0.28 -1.33 0.00 0.00 177.39 178.11 1x6c h SER 38 N -1.00 0.00 -3.73 -1.43 0.02 -1.98 -3.36 113.55 102.07 1x6c h SER 38 Ca -0.45 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.84 1x6c h SER 38 Cb 1.36 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.51 1x6c h SER 38 CO -0.27 0.12 -0.75 -1.10 -1.14 0.00 0.00 176.83 173.69 1x6c s GLN 39 N -4.21 1.69 -0.44 3.45 -1.52 -1.26 -5.07 119.66 112.30 1x6c s GLN 39 Ca -0.03 -1.68 -0.29 0.00 -1.95 0.00 0.00 55.36 51.41 1x6c s GLN 39 Cb 0.13 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.86 1x6c s GLN 39 CO 0.59 -0.83 1.43 -1.25 -0.25 0.00 0.00 175.29 174.98 1x6c s PRO 40 N 0.99 3.52 0.00 2.91 0.04 -1.26 -2.53 135.00 138.66 1x6c s PRO 40 Ca 0.05 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1x6c s PRO 40 Cb -0.19 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1x6c s PRO 40 CO -0.08 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1x6c n GLY 41 N 5.13 1.35 3.93 0.56 0.00 -1.26 -5.09 105.19 109.80 1x6c n GLY 41 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1x6c n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6c s ASP 42 N -1.15 5.72 0.17 1.61 1.11 -1.05 -4.83 116.67 118.24 1x6c s ASP 42 Ca 0.00 0.61 0.07 0.00 0.18 0.00 0.00 52.55 53.41 1x6c s ASP 42 Cb 0.00 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 1x6c s ASP 42 CO 0.00 -0.92 -0.14 -0.36 1.18 0.00 0.00 175.17 174.93 1x6c s PHE 43 N -2.85 1.59 0.07 4.23 0.40 -1.20 -1.07 117.98 119.16 1x6c s PHE 43 Ca 0.52 -0.57 0.09 0.00 -0.60 0.00 0.00 56.93 56.36 1x6c s PHE 43 Cb -0.10 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1x6c s PHE 43 CO 0.43 0.26 -0.24 0.08 0.70 0.00 0.00 175.22 176.45 1x6c s VAL 44 N -2.64 2.39 -0.31 -0.44 1.01 0.27 0.12 120.40 120.80 1x6c s VAL 44 Ca 0.17 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.72 1x6c s VAL 44 Cb -0.02 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1x6c s VAL 44 CO 0.05 0.27 0.04 -0.22 0.00 0.00 0.00 175.10 175.24 1x6c s LEU 45 N -1.58 3.60 -0.24 3.92 2.96 -0.39 -1.34 118.68 125.62 1x6c s LEU 45 Ca 0.14 -1.82 -0.16 0.00 -0.22 0.00 0.00 54.13 52.07 1x6c s LEU 45 Cb -0.10 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1x6c s LEU 45 CO 0.05 -0.36 0.42 -0.44 -1.32 0.00 0.00 176.35 174.69 1x6c s SER 46 N 1.20 6.37 -0.07 3.68 0.01 -1.00 0.19 113.70 124.09 1x6c s SER 46 Ca 0.07 0.43 0.04 0.00 1.31 0.00 0.00 55.95 57.81 1x6c s SER 46 Cb -0.18 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 1x6c s SER 46 CO -0.13 -0.17 -0.21 -0.69 0.41 0.00 0.00 173.24 172.46 1x6c s VAL 47 N 1.83 1.76 -0.31 3.43 1.01 0.56 -1.54 120.40 127.13 1x6c s VAL 47 Ca 0.18 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1x6c s VAL 47 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1x6c s VAL 47 CO 0.09 0.50 0.78 -0.22 0.00 0.00 0.00 175.10 176.25 1x6c s LEU 48 N 0.17 4.09 0.59 3.92 2.96 0.17 -1.67 118.68 128.91 1x6c s LEU 48 Ca -0.10 0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 1x6c s LEU 48 Cb -0.15 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 1x6c s LEU 48 CO 0.05 -0.62 0.96 -0.94 -1.32 0.00 0.00 176.35 174.48 1x6c s SER 49 N 1.65 6.05 -0.20 3.68 1.04 -1.21 0.21 113.70 124.92 1x6c s SER 49 Ca 0.32 1.16 0.05 0.00 0.48 0.00 0.00 55.95 57.96 1x6c s SER 49 Cb -0.14 -2.24 0.43 0.00 0.10 0.00 0.00 66.02 64.17 1x6c s SER 49 CO 0.13 -0.88 1.38 -0.90 0.98 0.00 0.00 173.24 173.94 1x6c n ASP 50 N -2.63 3.60 -4.19 7.02 5.75 -1.26 -4.56 116.55 120.27 1x6c n ASP 50 Ca 0.04 -2.73 -0.35 0.00 -0.01 0.00 0.00 54.79 51.74 1x6c n ASP 50 Cb 0.55 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.85 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 -1.97 2.59 1.01 0.11 -0.21 -1.26 -5.08 119.66 114.86 1x6c s GLN 51 Ca 0.32 -1.16 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1x6c s GLN 51 Cb 0.26 -3.14 0.20 0.00 1.00 0.00 0.00 33.01 31.33 1x6c s GLN 51 CO 0.08 -0.55 1.19 -1.25 -2.12 0.00 0.00 175.29 172.64 1x6c s PRO 52 N 1.29 0.27 -0.21 2.91 0.04 -1.26 -2.05 135.00 135.99 1x6c s PRO 52 Ca -0.03 -0.03 -0.09 0.00 0.04 0.00 0.00 61.00 60.89 1x6c s PRO 52 Cb -0.19 -1.77 -0.19 0.00 0.04 0.00 0.00 34.50 32.40 1x6c s PRO 52 CO -0.02 -2.72 0.00 1.63 0.04 0.00 0.00 177.00 175.93 1x6c n LYS 53 N -4.07 0.65 -0.02 4.56 5.02 -1.21 -4.65 118.16 118.44 1x6c n LYS 53 Ca 0.11 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.69 1x6c n LYS 53 Cb 0.59 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 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 -3.44 1.97 0.00 7.82 0.00 -1.26 -5.12 120.51 120.48 1x6c n ALA 54 Ca -0.41 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1x6c n ALA 54 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 2.47 0.28 3.58 0.00 0.00 -1.26 -4.97 105.19 105.29 1x6c n GLY 55 Ca -0.07 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.10 3.34 0.00 1.61 0.04 -1.26 -2.28 135.00 136.35 1x6c s PRO 56 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1x6c s PRO 56 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1x6c s PRO 56 CO 0.00 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1x6c n GLY 57 N 5.25 1.15 3.60 0.56 0.00 -1.26 -5.12 105.19 109.36 1x6c n GLY 57 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.86 4.42 0.33 1.61 1.04 -0.97 -5.06 113.70 114.21 1x6c s SER 58 Ca 0.00 -0.49 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 1x6c s SER 58 Cb 0.00 -0.82 -0.09 0.00 0.10 0.00 0.00 66.02 65.20 1x6c s SER 58 CO 0.00 0.11 1.07 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.74 4.44 0.02 4.02 0.04 -1.26 -4.70 135.00 134.81 1x6c s PRO 59 Ca 0.25 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1x6c s PRO 59 Cb -0.09 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1x6c s PRO 59 CO 0.16 0.07 1.18 -0.51 0.04 0.00 0.00 177.00 177.94 1x6c s LEU 60 N -1.97 4.34 1.03 -3.56 1.43 -1.26 -3.35 118.68 115.34 1x6c s LEU 60 Ca 0.50 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 55.30 1x6c s LEU 60 Cb -0.27 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 1x6c s LEU 60 CO 0.35 -0.48 -0.83 0.54 0.23 0.00 0.00 176.35 176.16 1x6c n ARG 61 N 4.31 -0.43 -4.40 1.70 1.74 -0.87 -4.74 116.66 113.95 1x6c n ARG 61 Ca 0.09 -0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1x6c n ARG 61 Cb 0.47 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.10 1.34 -0.16 1.55 1.01 -1.26 -3.29 120.40 117.49 1x6c s VAL 62 Ca 0.44 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1x6c s VAL 62 Cb -0.04 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1x6c s VAL 62 CO 0.70 0.03 -0.11 -0.89 0.00 0.00 0.00 175.10 174.82 1x6c s THR 63 N -0.92 1.44 -0.43 3.92 2.01 -0.67 -4.98 115.64 116.02 1x6c s THR 63 Ca 0.03 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1x6c s THR 63 Cb -0.09 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1x6c s THR 63 CO 0.02 0.34 0.34 -1.00 -0.69 0.00 0.00 174.62 173.63 1x6c s HIS 64 N 1.52 3.23 -0.73 4.92 3.76 -1.26 -0.33 115.29 126.41 1x6c s HIS 64 Ca 0.03 -0.65 -0.18 0.00 -0.15 0.00 0.00 55.06 54.11 1x6c s HIS 64 Cb -0.14 -2.76 0.14 0.00 1.11 0.00 0.00 32.58 30.93 1x6c s HIS 64 CO -0.09 -0.65 0.83 0.42 -0.85 0.00 0.00 174.74 174.40 1x6c s ILE 65 N 1.72 4.96 0.22 0.60 1.09 0.51 -4.83 121.20 125.48 1x6c s ILE 65 Ca 0.05 -1.47 -0.31 0.00 -1.10 0.00 0.00 60.65 57.82 1x6c s ILE 65 Cb -0.20 -4.57 -0.11 0.00 -1.06 0.00 0.00 42.46 36.52 1x6c s ILE 65 CO 0.10 -1.21 1.64 -0.54 -0.10 0.00 0.00 174.94 174.83 1x6c s LYS 66 N 2.15 4.15 -0.22 2.79 1.02 -1.26 -1.26 119.74 127.11 1x6c s LYS 66 Ca 0.19 2.52 -0.08 0.00 0.02 0.00 0.00 55.97 58.62 1x6c s LYS 66 Cb -0.16 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1x6c s LYS 66 CO -0.01 -0.67 0.10 0.08 -0.92 0.00 0.00 175.35 173.92 1x6c s VAL 67 N 0.87 4.81 -0.38 3.17 1.01 0.12 -4.32 120.40 125.68 1x6c s VAL 67 Ca 0.70 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1x6c s VAL 67 Cb -0.47 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1x6c s VAL 67 CO 0.36 0.38 0.36 -0.04 0.00 0.00 0.00 175.10 176.15 1x6c s MET 68 N 1.04 3.29 -0.71 2.72 -1.94 0.41 -3.23 119.30 120.88 1x6c s MET 68 Ca 0.05 -0.68 -0.15 0.00 -1.71 0.00 0.00 55.69 53.21 1x6c s MET 68 Cb -0.14 -3.89 0.18 0.00 2.01 0.00 0.00 34.83 32.99 1x6c s MET 68 CO 0.04 -0.66 0.66 0.00 -0.01 0.00 0.00 175.02 175.04 1x6c s GLU 70 N 0.76 1.33 -1.48 0.00 -1.05 0.88 -4.74 118.70 114.40 1x6c s GLU 70 Ca 0.12 -0.52 -0.06 0.00 -0.15 0.00 0.00 54.97 54.35 1x6c s GLU 70 Cb -0.18 -1.24 0.02 0.00 -0.44 0.00 0.00 34.13 32.29 1x6c s GLU 70 CO -0.04 0.27 0.57 0.41 0.95 0.00 0.00 175.26 177.42 1x6c n GLY 71 N 2.91 -0.51 2.32 -3.83 0.00 -1.26 -0.54 105.19 104.28 1x6c n GLY 71 Ca -0.16 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.42 -0.05 3.00 -0.02 0.00 -1.26 -4.99 105.19 100.44 1x6c n GLY 72 Ca -0.09 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.62 0.72 -0.10 1.61 0.52 0.30 -4.60 118.95 112.78 1x6c s ARG 73 Ca 0.00 -0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1x6c s ARG 73 Cb 0.00 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 1x6c s ARG 73 CO 0.00 0.15 0.09 0.71 0.02 0.00 0.00 175.30 176.27 1x6c s TYR 74 N -0.05 3.44 -0.13 -0.53 2.02 0.54 -0.09 117.35 122.55 1x6c s TYR 74 Ca 0.01 0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.90 1x6c s TYR 74 Cb -0.05 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1x6c s TYR 74 CO -0.00 0.64 0.54 -0.08 -1.57 0.00 0.00 175.55 175.08 1x6c s THR 75 N -1.00 0.01 -2.14 -0.71 -1.32 -0.11 -1.53 115.64 108.83 1x6c s THR 75 Ca 0.15 -0.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.70 1x6c s THR 75 Cb -0.12 -0.81 0.40 0.00 -1.51 0.00 0.00 72.50 70.46 1x6c s THR 75 CO 0.04 -0.05 1.41 1.33 -2.21 0.00 0.00 174.62 175.14 1x6c n VAL 76 N 1.99 0.39 0.00 5.08 0.24 -1.26 0.15 118.33 124.92 1x6c n VAL 76 Ca -0.17 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1x6c n VAL 76 Cb 0.56 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 1.14 1.27 4.02 7.63 0.00 -1.26 -4.81 105.19 113.18 1x6c n GLY 77 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.50 1.83 0.11 -0.02 0.00 -1.26 -5.03 107.32 101.46 1x6c s GLY 78 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 44.72 42.60 1x6c s GLY 78 CO 0.00 -1.67 1.43 1.41 0.00 0.00 0.00 173.10 174.27 1x6c h LEU 79 N 0.34 0.84-10.12 0.66 3.38 -2.00 -3.44 115.31 104.96 1x6c h LEU 79 Ca -0.33 -0.47 -0.55 0.00 0.09 0.00 0.00 57.88 56.62 1x6c h LEU 79 Cb 1.29 -0.24 0.15 0.00 0.09 0.00 0.00 40.66 41.96 1x6c h LEU 79 CO 0.43 1.14 0.49 -1.61 0.09 0.00 0.00 178.44 178.99 1x6c s GLU 80 N -4.35 2.51 0.26 1.13 2.02 -1.26 -5.03 118.70 113.97 1x6c s GLU 80 Ca -0.12 2.00 0.06 0.00 0.02 0.00 0.00 54.97 56.93 1x6c s GLU 80 Cb 0.09 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 1x6c s GLU 80 CO 0.85 -1.62 0.20 0.25 0.02 0.00 0.00 175.26 174.96 1x6c n THR 81 N -2.02 0.00 -3.64 3.63 -2.24 -1.26 -4.67 114.28 104.08 1x6c n THR 81 Ca 0.15 -1.85 -0.10 0.00 -2.27 0.00 0.00 64.05 59.98 1x6c n THR 81 Cb 0.49 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.99 -0.28 -0.22 4.78 0.08 -0.58 -4.89 117.98 113.87 1x6c s PHE 82 Ca 0.29 -0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.37 1x6c s PHE 82 Cb 0.01 0.49 -0.21 0.00 -0.57 0.00 0.00 43.02 42.74 1x6c s PHE 82 CO 0.20 -0.93 -0.05 -0.25 -0.10 0.00 0.00 175.22 174.10 1x6c n ASP 83 N -0.36 1.25 -4.37 1.36 9.92 -1.26 -0.34 116.55 122.75 1x6c n ASP 83 Ca -0.12 -0.04 -0.30 0.00 -0.53 0.00 0.00 54.79 53.80 1x6c n ASP 83 Cb 0.63 0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 41.03 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 -6.18 3.27 0.33 -2.24 1.04 -1.26 -4.83 113.70 103.83 1x6c s SER 84 Ca -0.24 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1x6c s SER 84 Cb 0.08 -0.28 0.61 0.00 0.10 0.00 0.00 66.02 66.53 1x6c s SER 84 CO 0.70 0.22 1.94 -0.07 0.98 0.00 0.00 173.24 177.02 1x6c h LEU 85 N 4.39 0.80 -0.49 2.42 -0.00 -1.99 -1.28 115.31 119.16 1x6c h LEU 85 Ca -0.48 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.42 1x6c h LEU 85 Cb 1.15 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.61 1x6c h LEU 85 CO 0.42 0.53 0.28 0.74 -0.00 0.00 0.00 178.44 180.40 1x6c h THR 86 N 0.91 1.02 0.00 0.22 2.02 -1.98 0.34 112.91 115.44 1x6c h THR 86 Ca 0.34 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1x6c h THR 86 Cb 0.16 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1x6c h THR 86 CO -0.11 0.10 -0.03 -0.78 0.37 0.00 0.00 175.52 175.07 1x6c h ASP 87 N 0.55 0.00 0.04 4.18 3.58 -1.66 1.02 116.42 124.13 1x6c h ASP 87 Ca 0.20 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 1x6c h ASP 87 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1x6c h ASP 87 CO -0.11 0.03 -0.45 0.25 -2.88 0.00 0.00 179.24 176.08 1x6c h LEU 88 N 0.00 0.13 -0.36 2.28 6.46 -0.22 -2.94 115.31 120.65 1x6c h LEU 88 Ca -0.00 -0.92 -0.11 0.00 -0.12 0.00 0.00 57.88 56.74 1x6c h LEU 88 Cb 0.22 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1x6c h LEU 88 CO 0.00 1.20 -0.19 0.58 -0.62 0.00 0.00 178.44 179.42 1x6c h VAL 89 N -0.81 1.28 0.00 1.05 2.07 0.08 -2.02 116.25 117.91 1x6c h VAL 89 Ca -0.10 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1x6c h VAL 89 Cb 1.24 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1x6c h VAL 89 CO 0.01 0.43 0.00 -0.62 0.02 0.00 0.00 177.57 177.41 1x6c n GLU 90 N -4.29 0.10 -0.08 1.57 1.02 0.35 0.61 120.64 119.93 1x6c n GLU 90 Ca -0.02 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1x6c n GLU 90 Cb 0.42 -1.74 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.19 -3.35 115.15 113.04 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 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1x6c h HIS 91 CO 0.00 0.73 0.00 1.19 -1.30 0.00 0.00 177.93 178.55 1x6c n PHE 92 N -4.59 0.00 0.26 5.26 3.72 -0.89 -3.08 117.46 118.13 1x6c n PHE 92 Ca -0.15 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.34 1x6c n PHE 92 Cb 0.40 -0.37 0.42 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.37 0.12 0.02 -1.08 5.02 0.20 -1.53 118.16 119.54 1x6c n LYS 93 Ca 0.11 0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 1x6c n LYS 93 Cb 0.26 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.02 0.03 0.11 1.97 2.85 -1.18 -4.36 118.16 115.56 1x6c n LYS 94 Ca 0.01 0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 1x6c n LYS 94 Cb 0.11 -0.37 -0.08 0.00 -0.65 0.00 0.00 35.03 34.04 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 -0.06 0.00 0.00 0.58 1.35 -1.63 -3.48 112.91 109.66 1x6c h THR 95 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x6c h THR 95 Cb 0.06 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1x6c h THR 95 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1x6c n GLY 96 N -1.38 2.10 3.56 5.82 0.00 -0.59 -4.86 105.19 109.84 1x6c n GLY 96 Ca -0.07 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.13 3.77 0.04 -0.61 1.01 0.61 -4.76 121.20 119.13 1x6c s ILE 97 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.98 1x6c s ILE 97 Cb 0.00 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1x6c s ILE 97 CO 0.00 0.57 0.71 -0.70 0.00 0.00 0.00 174.94 175.51 1x6c s GLU 98 N -0.44 4.44 0.44 2.79 2.12 -1.26 0.19 118.70 126.98 1x6c s GLU 98 Ca 0.07 0.96 0.02 0.00 0.36 0.00 0.00 54.97 56.37 1x6c s GLU 98 Cb -0.12 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.01 1x6c s GLU 98 CO 0.02 0.36 0.60 0.39 -0.54 0.00 0.00 175.26 176.09 1x6c n GLU 99 N 2.60 0.33 0.00 4.30 1.02 0.49 -4.96 120.64 124.42 1x6c n GLU 99 Ca -0.04 -1.82 0.14 0.00 -0.02 0.00 0.00 57.16 55.42 1x6c n GLU 99 Cb 0.50 -0.35 0.66 0.00 -0.02 0.00 0.00 31.44 32.24 1x6c n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6c n ALA 100 N -2.83 2.62 -0.45 0.62 0.00 -1.26 -2.86 120.51 116.36 1x6c n ALA 100 Ca -0.10 -0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1x6c n ALA 100 Cb 0.38 -1.41 0.34 0.00 0.00 0.00 0.00 19.45 18.75 1x6c n ALA 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x6c n SER 101 N -1.21 4.43 -1.12 0.00 7.64 -1.26 -4.89 113.62 117.21 1x6c n SER 101 Ca 0.13 -2.36 -0.14 0.00 1.01 0.00 0.00 58.87 57.51 1x6c n SER 101 Cb 0.27 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 102 N 1.19 1.35 3.62 0.23 0.00 -1.13 -4.99 105.19 105.46 1x6c n GLY 102 Ca 0.24 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.54 3.10 0.30 4.61 0.00 -1.26 -4.88 121.76 121.10 1x6c s ALA 103 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1x6c s ALA 103 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1x6c s ALA 103 CO 0.00 0.66 0.48 -0.06 0.00 0.00 0.00 175.76 176.83 1x6c s PHE 104 N -1.20 3.48 0.07 0.00 0.40 -1.26 0.19 117.98 119.66 1x6c s PHE 104 Ca 0.22 0.23 0.07 0.00 -0.60 0.00 0.00 56.93 56.85 1x6c s PHE 104 Cb -0.11 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1x6c s PHE 104 CO 0.14 0.24 -0.18 0.08 0.70 0.00 0.00 175.22 176.20 1x6c s VAL 105 N -2.17 1.46 0.02 -0.44 1.01 0.52 -4.87 120.40 115.93 1x6c s VAL 105 Ca 0.38 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1x6c s VAL 105 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1x6c s VAL 105 CO 0.33 -0.04 -0.22 -0.31 0.00 0.00 0.00 175.10 174.87 1x6c s TYR 106 N -1.07 1.90 -1.05 5.22 2.02 -1.26 -0.28 117.35 122.82 1x6c s TYR 106 Ca 0.04 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.25 1x6c s TYR 106 Cb -0.09 -1.16 0.25 0.00 -0.40 0.00 0.00 41.96 40.55 1x6c s TYR 106 CO 0.03 0.06 1.07 -0.51 -1.57 0.00 0.00 175.55 174.62 1x6c s LEU 107 N -0.96 6.28 0.04 -1.29 1.02 -1.26 -4.40 118.68 118.10 1x6c s LEU 107 Ca 0.08 -3.30 -0.25 0.00 0.02 0.00 0.00 54.13 50.68 1x6c s LEU 107 Cb -0.09 -2.23 -0.14 0.00 0.02 0.00 0.00 46.19 43.75 1x6c s LEU 107 CO 0.01 -0.42 1.32 0.03 0.02 0.00 0.00 176.35 177.32 1x6c h ARG 108 N 7.02 -0.87 -4.35 1.70 3.08 -0.58 -3.46 114.38 116.92 1x6c h ARG 108 Ca 0.18 0.06 -0.26 0.00 0.07 0.00 0.00 59.98 60.02 1x6c h ARG 108 Cb 0.91 0.20 -0.23 0.00 0.08 0.00 0.00 29.97 30.93 1x6c h ARG 108 CO 0.98 -0.58 -0.73 1.14 -1.07 0.00 0.00 179.97 179.71 1x6c s GLN 109 N -4.89 0.43 0.94 0.04 -2.07 -1.01 -5.05 119.66 108.05 1x6c s GLN 109 Ca -0.13 -0.55 -0.13 0.00 -1.82 0.00 0.00 55.36 52.73 1x6c s GLN 109 Cb 0.01 -0.23 0.16 0.00 -1.09 0.00 0.00 33.01 31.86 1x6c s GLN 109 CO 0.40 0.04 1.15 -1.25 -1.32 0.00 0.00 175.29 174.31 1x6c s PRO 110 N -1.12 0.91 -0.17 9.60 0.04 -1.26 -2.43 135.00 140.56 1x6c s PRO 110 Ca -0.08 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1x6c s PRO 110 Cb -0.07 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1x6c s PRO 110 CO 0.00 -2.34 0.14 -0.47 0.04 0.00 0.00 177.00 174.37 1x6c s TYR 111 N -3.31 3.47 -0.25 0.56 5.04 0.60 -4.75 117.35 118.71 1x6c s TYR 111 Ca 0.65 0.40 0.03 0.00 -2.44 0.00 0.00 57.07 55.71 1x6c s TYR 111 Cb -0.13 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.13 1x6c s TYR 111 CO 0.53 0.43 -0.11 0.71 -1.34 0.00 0.00 175.55 175.77 1x6c s TYR 112 N -0.06 3.16 -0.15 4.97 2.02 -1.26 -4.81 117.35 121.21 1x6c s TYR 112 Ca 0.11 -2.24 -0.12 0.00 -0.37 0.00 0.00 57.07 54.44 1x6c s TYR 112 Cb -0.11 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.48 1x6c s TYR 112 CO 0.00 -0.87 -0.00 0.66 -1.57 0.00 0.00 175.55 173.77 1x6c h SER 113 N 7.80 0.00 0.00 2.29 4.64 -1.97 -3.52 113.55 122.79 1x6c h SER 113 Ca -0.20 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1x6c h SER 113 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1x6c h SER 113 CO 0.46 0.90 0.00 0.61 -0.87 0.00 0.00 176.83 177.93 1x6c n GLY 114 N 1.60 -1.54 3.71 -0.77 0.00 -1.26 -5.12 105.19 101.81 1x6c n GLY 114 Ca -0.12 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1x6c n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6c s PRO 115 N -1.84 4.43 -0.15 1.61 0.04 -1.26 -5.02 135.00 132.80 1x6c s PRO 115 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1x6c s PRO 115 Cb 0.00 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1x6c s PRO 115 CO 0.00 -0.28 -0.12 0.45 0.04 0.00 0.00 177.00 177.09 1x6c s SER 116 N 1.15 2.64 -0.17 6.66 0.15 -1.26 -5.10 113.70 117.77 1x6c s SER 116 Ca 0.58 -0.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 1x6c s SER 116 Cb -0.28 -1.11 0.07 0.00 -1.71 0.00 0.00 66.02 62.99 1x6c s SER 116 CO 0.28 -0.08 0.39 -0.44 1.20 0.00 0.00 173.24 174.59 1x6c s SER 117 N 1.53 -0.31 0.00 5.45 0.01 -1.26 -5.16 113.70 113.96 1x6c s SER 117 Ca 0.04 0.87 0.30 0.00 1.31 0.00 0.00 55.95 58.48 1x6c s SER 117 Cb -0.13 0.95 1.46 0.00 0.21 0.00 0.00 66.02 68.51 1x6c s SER 117 CO -0.10 -0.21 1.98 0.61 0.41 0.00 0.00 173.24 175.92