#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 -0.77 -0.30 1.61 0.15 -1.26 -5.13 113.70 107.99 1x6c s SER 2 Ca 0.00 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.33 1x6c s SER 2 Cb 0.00 1.13 0.17 0.00 -1.71 0.00 0.00 66.02 65.61 1x6c s SER 2 CO 0.00 -0.10 0.75 -0.55 1.20 0.00 0.00 173.24 174.54 1x6c s SER 3 N 2.21 -1.04 0.00 5.45 0.15 -1.26 -5.16 113.70 114.06 1x6c s SER 3 Ca 0.17 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1x6c s SER 3 Cb -0.01 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.28 1x6c s SER 3 CO -0.16 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1x6c n GLY 4 N 5.38 4.03 3.17 9.45 0.00 -1.26 -5.01 105.19 120.95 1x6c n GLY 4 Ca -0.06 -1.23 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 1x6c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6c n SER 5 N 0.00 5.54 -0.35 1.61 7.64 -1.26 -4.98 113.62 121.82 1x6c n SER 5 Ca 0.00 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.75 1x6c n SER 5 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 1x6c n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6c n SER 6 N 3.48 -3.13 -2.70 6.43 7.64 -1.26 -4.81 113.62 119.28 1x6c n SER 6 Ca 0.32 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.14 1x6c n SER 6 Cb 0.38 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.00 -0.63 0.00 0.23 0.00 -1.26 -4.96 105.19 98.57 1x6c n GLY 7 Ca 0.00 0.50 0.06 0.00 0.00 0.00 0.00 46.02 46.58 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 0.90 0.00 -1.73 1.61 4.27 -1.26 -4.91 117.44 116.32 1x6c n TRP 8 Ca 0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.26 1x6c n TRP 8 Cb 0.70 -0.12 -0.03 0.00 -1.36 0.00 0.00 31.31 30.51 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 -2.48 1.28 0.22 -2.67 5.04 -1.25 -2.85 117.35 114.64 1x6c s TYR 9 Ca 0.01 1.29 0.05 0.00 -2.44 0.00 0.00 57.07 55.99 1x6c s TYR 9 Cb 0.09 -3.76 0.18 0.00 0.35 0.00 0.00 41.96 38.82 1x6c s TYR 9 CO 0.53 -2.45 1.51 0.45 -1.34 0.00 0.00 175.55 174.25 1x6c h HIS 10 N 17.96 0.22 0.00 4.97 3.86 -0.78 -3.49 115.15 137.89 1x6c h HIS 10 Ca -0.25 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1x6c h HIS 10 Cb 1.23 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1x6c h HIS 10 CO 0.99 0.81 0.00 0.41 0.86 0.00 0.00 177.93 181.00 1x6c n GLY 11 N 0.48 0.75 3.57 2.45 0.00 -1.25 -4.83 105.19 106.36 1x6c n GLY 11 Ca -0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 1.96 -0.16 1.61 3.76 -1.26 0.97 115.29 122.17 1x6c s HIS 12 Ca 0.00 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1x6c s HIS 12 Cb 0.00 -4.13 -0.02 0.00 1.11 0.00 0.00 32.58 29.54 1x6c s HIS 12 CO 0.00 -1.64 -0.09 1.41 -0.85 0.00 0.00 174.74 173.57 1x6c s MET 13 N 6.55 3.47 0.34 1.40 0.00 -1.25 -4.93 119.30 124.89 1x6c s MET 13 Ca 0.66 -0.63 -0.28 0.00 0.00 0.00 0.00 55.69 55.45 1x6c s MET 13 Cb -0.04 -2.79 -0.10 0.00 0.00 0.00 0.00 34.83 31.90 1x6c s MET 13 CO 0.02 0.14 1.23 0.45 0.00 0.00 0.00 175.02 176.86 1x6c s SER 14 N 0.59 6.77 0.05 1.11 0.15 -1.26 -4.60 113.70 116.50 1x6c s SER 14 Ca -0.05 2.52 -0.21 0.00 0.70 0.00 0.00 55.95 58.91 1x6c s SER 14 Cb -0.15 -2.64 -0.09 0.00 -1.71 0.00 0.00 66.02 61.43 1x6c s SER 14 CO 0.03 -0.52 1.32 1.23 1.20 0.00 0.00 173.24 176.50 1x6c h GLY 15 N 3.22 -1.09 -0.20 9.45 0.00 -1.99 0.61 103.07 113.08 1x6c h GLY 15 Ca -0.48 0.52 0.26 0.00 0.00 0.00 0.00 47.33 47.62 1x6c h GLY 15 CO 0.65 -0.34 0.85 -1.33 0.00 0.00 0.00 176.54 176.37 1x6c h GLY 16 N -0.53 0.00 0.16 4.60 0.00 -2.00 -0.82 103.07 104.48 1x6c h GLY 16 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1x6c h GLY 16 CO -0.09 0.00 -0.08 -1.61 0.00 0.00 0.00 176.54 174.76 1x6c h GLN 17 N 0.00 -0.21 -0.92 4.80 4.15 -1.50 -3.04 115.11 118.39 1x6c h GLN 17 Ca 0.42 0.01 0.17 0.00 0.77 0.00 0.00 58.65 60.03 1x6c h GLN 17 Cb 2.12 0.05 -0.17 0.00 0.21 0.00 0.00 27.48 29.69 1x6c h GLN 17 CO -0.00 -0.14 -0.27 0.00 -1.93 0.00 0.00 178.83 176.48 1x6c n ALA 18 N -2.47 0.12 -0.17 3.38 0.00 0.05 0.18 120.51 121.59 1x6c n ALA 18 Ca -0.03 0.99 -0.01 0.00 0.00 0.00 0.00 53.44 54.39 1x6c n ALA 18 Cb 0.09 -0.55 0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 0.08 -0.34 0.00 5.08 -1.48 1.04 114.58 118.96 1x6c h GLU 19 Ca 0.41 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1x6c h GLU 19 Cb 0.64 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1x6c h GLU 19 CO -0.94 0.05 -0.38 1.15 -1.00 0.00 0.00 179.01 177.89 1x6c h THR 20 N 0.08 1.28 0.90 1.13 2.02 0.20 -1.39 112.91 117.13 1x6c h THR 20 Ca 0.27 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 1x6c h THR 20 Cb 0.42 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1x6c h THR 20 CO -0.48 0.51 -0.47 -0.07 0.37 0.00 0.00 175.52 175.38 1x6c h LEU 21 N 0.65 -1.15 -0.94 2.58 4.07 0.28 1.57 115.31 122.36 1x6c h LEU 21 Ca 0.05 0.05 0.16 0.00 0.08 0.00 0.00 57.88 58.22 1x6c h LEU 21 Cb 0.97 0.31 -0.10 0.00 1.08 0.00 0.00 40.66 42.92 1x6c h LEU 21 CO 0.09 -0.77 0.55 -0.07 -1.08 0.00 0.00 178.44 177.16 1x6c h LEU 22 N -1.26 0.72 -0.46 1.67 3.38 0.10 0.13 115.31 119.59 1x6c h LEU 22 Ca -0.12 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1x6c h LEU 22 Cb 0.98 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1x6c h LEU 22 CO 0.17 0.31 -0.25 1.56 0.09 0.00 0.00 178.44 180.32 1x6c h GLN 23 N 0.76 0.99 -0.90 1.13 4.20 -0.78 -0.73 115.11 119.79 1x6c h GLN 23 Ca 0.52 -0.45 0.18 0.00 0.06 0.00 0.00 58.65 58.96 1x6c h GLN 23 Cb 0.71 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 1x6c h GLN 23 CO -0.35 1.12 0.59 0.00 -0.67 0.00 0.00 178.83 179.52 1x6c h ALA 24 N 0.85 2.05 0.04 3.87 0.00 0.50 -2.20 119.26 124.36 1x6c h ALA 24 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x6c h ALA 24 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x6c h ALA 24 CO 0.07 -0.33 -0.02 -0.22 0.00 0.00 0.00 179.25 178.76 1x6c h LYS 25 N 0.51 -0.05 0.00 0.00 1.63 -1.03 -3.48 116.57 114.16 1x6c h LYS 25 Ca 0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1x6c h LYS 25 Cb 1.01 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1x6c h LYS 25 CO -0.20 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.50 1x6c n GLY 26 N 1.56 3.25 3.58 5.01 0.00 -0.31 -5.00 105.19 113.28 1x6c n GLY 26 Ca -0.04 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.51 0.89 -2.50 1.61 4.71 -1.26 -4.87 120.64 117.71 1x6c n GLU 27 Ca 0.00 0.30 -0.41 0.00 -0.01 0.00 0.00 57.16 57.04 1x6c n GLU 27 Cb 0.00 -2.07 -0.04 0.00 -1.01 0.00 0.00 31.44 28.31 1x6c n GLU 27 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1x6c s PRO 28 N 4.59 4.62 -0.44 3.49 0.04 -1.26 -3.29 135.00 142.74 1x6c s PRO 28 Ca 1.05 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.82 1x6c s PRO 28 Cb -1.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1x6c s PRO 28 CO 0.63 0.14 0.39 0.91 0.04 0.00 0.00 177.00 179.10 1x6c n TRP 29 N 1.87 -0.94 -3.75 0.56 5.03 0.52 -4.76 117.44 115.97 1x6c n TRP 29 Ca 0.01 0.33 -0.37 0.00 3.03 0.00 0.00 57.50 60.50 1x6c n TRP 29 Cb 0.45 -2.39 -0.12 0.00 -1.03 0.00 0.00 31.31 28.22 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 -3.11 4.12 0.36 -0.99 2.01 -1.06 0.35 115.64 117.33 1x6c s THR 30 Ca 0.18 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1x6c s THR 30 Cb -0.08 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1x6c s THR 30 CO 0.24 0.17 0.30 0.72 -0.69 0.00 0.00 174.62 175.36 1x6c s PHE 31 N 1.55 2.81 -0.23 4.92 -0.71 -1.10 0.88 117.98 126.11 1x6c s PHE 31 Ca 0.04 -0.38 -0.27 0.00 -1.04 0.00 0.00 56.93 55.29 1x6c s PHE 31 Cb -0.16 -1.90 0.11 0.00 -1.21 0.00 0.00 43.02 39.85 1x6c s PHE 31 CO 0.03 0.10 0.94 -0.48 -1.34 0.00 0.00 175.22 174.48 1x6c s LEU 32 N -4.02 -0.49 -0.13 -1.99 0.05 -0.78 -0.23 118.68 111.08 1x6c s LEU 32 Ca 0.43 0.83 -0.13 0.00 0.05 0.00 0.00 54.13 55.31 1x6c s LEU 32 Cb -0.04 2.03 -0.05 0.00 -2.05 0.00 0.00 46.19 46.08 1x6c s LEU 32 CO 0.26 -0.25 0.27 -0.69 -0.55 0.00 0.00 176.35 175.39 1x6c s VAL 33 N -0.20 5.30 0.16 1.48 1.01 -1.13 -2.52 120.40 124.49 1x6c s VAL 33 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 1x6c s VAL 33 Cb -0.03 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1x6c s VAL 33 CO -0.02 0.46 0.20 0.00 0.00 0.00 0.00 175.10 175.75 1x6c s ARG 34 N -0.06 1.10 -0.04 2.72 1.70 -0.21 -0.01 118.95 124.16 1x6c s ARG 34 Ca 0.17 -1.31 -0.12 0.00 -0.47 0.00 0.00 55.73 53.99 1x6c s ARG 34 Cb -0.13 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1x6c s ARG 34 CO 0.05 -0.38 0.32 -1.21 -1.08 0.00 0.00 175.30 173.00 1x6c s GLU 35 N -4.02 3.78 -0.42 3.89 2.02 0.27 0.52 118.70 124.74 1x6c s GLU 35 Ca 0.22 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.15 1x6c s GLU 35 Cb 0.05 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 31.07 1x6c s GLU 35 CO 0.02 0.70 1.37 0.45 0.02 0.00 0.00 175.26 177.83 1x6c s SER 36 N -1.01 6.38 0.15 -0.19 0.15 -1.18 -3.79 113.70 114.21 1x6c s SER 36 Ca 0.21 0.78 -0.14 0.00 0.70 0.00 0.00 55.95 57.50 1x6c s SER 36 Cb -0.15 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1x6c s SER 36 CO 0.10 -1.41 1.67 -0.07 1.20 0.00 0.00 173.24 174.73 1x6c h LEU 37 N 12.07 0.72 -1.02 3.45 3.38 -1.93 -2.37 115.31 129.60 1x6c h LEU 37 Ca -0.27 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 1x6c h LEU 37 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1x6c h LEU 37 CO 1.09 0.74 -0.37 -1.28 0.09 0.00 0.00 178.44 178.72 1x6c h SER 38 N 0.67 0.23 -3.90 -0.43 0.87 -1.97 -3.37 113.55 105.65 1x6c h SER 38 Ca 0.16 -0.09 -0.65 0.00 -1.23 0.00 0.00 61.79 59.98 1x6c h SER 38 Cb 0.28 -0.06 -0.40 0.00 -0.44 0.00 0.00 62.40 61.77 1x6c h SER 38 CO -0.00 0.59 -0.69 -1.10 -0.53 0.00 0.00 176.83 175.09 1x6c s GLN 39 N -4.23 1.60 -0.45 2.24 1.11 -0.90 -5.07 119.66 113.96 1x6c s GLN 39 Ca -0.05 -2.11 -0.28 0.00 0.01 0.00 0.00 55.36 52.93 1x6c s GLN 39 Cb 0.14 -3.13 0.01 0.00 -1.01 0.00 0.00 33.01 29.02 1x6c s GLN 39 CO 0.76 -1.02 1.44 -1.25 0.01 0.00 0.00 175.29 175.23 1x6c s PRO 40 N 0.48 3.48 0.00 2.91 0.04 -1.15 -2.68 135.00 138.08 1x6c s PRO 40 Ca 0.13 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1x6c s PRO 40 Cb -0.22 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1x6c s PRO 40 CO -0.06 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1x6c n GLY 41 N 5.15 1.46 0.48 0.56 0.00 -1.26 -5.10 105.19 106.48 1x6c n GLY 41 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1x6c n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x6c n ASP 42 N 0.00 0.49 -3.83 1.61 2.03 -1.09 -4.86 116.55 110.89 1x6c n ASP 42 Ca 0.00 -1.20 -0.11 0.00 0.52 0.00 0.00 54.79 54.00 1x6c n ASP 42 Cb 0.00 -0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1x6c s PHE 43 N 0.34 0.03 0.07 -0.67 0.08 -1.24 -3.11 117.98 113.48 1x6c s PHE 43 Ca 0.07 -0.23 0.09 0.00 0.12 0.00 0.00 56.93 56.98 1x6c s PHE 43 Cb -0.01 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.40 1x6c s PHE 43 CO 0.04 -0.43 -0.24 0.08 -0.10 0.00 0.00 175.22 174.57 1x6c s VAL 44 N -2.49 2.35 -0.45 -0.44 1.01 0.18 -0.85 120.40 119.72 1x6c s VAL 44 Ca -0.06 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.51 1x6c s VAL 44 Cb -0.01 -1.97 0.12 0.00 0.00 0.00 0.00 36.38 34.52 1x6c s VAL 44 CO -0.03 0.28 0.20 -0.22 0.00 0.00 0.00 175.10 175.33 1x6c s LEU 45 N -1.53 3.88 -0.25 3.92 2.96 -0.56 -1.04 118.68 126.06 1x6c s LEU 45 Ca 0.13 -2.66 -0.24 0.00 -0.22 0.00 0.00 54.13 51.14 1x6c s LEU 45 Cb -0.10 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1x6c s LEU 45 CO 0.04 -0.28 0.80 -0.44 -1.32 0.00 0.00 176.35 175.15 1x6c s SER 46 N 0.22 6.79 -0.12 3.68 0.01 -1.05 0.13 113.70 123.36 1x6c s SER 46 Ca 0.15 0.96 0.03 0.00 1.31 0.00 0.00 55.95 58.41 1x6c s SER 46 Cb -0.24 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1x6c s SER 46 CO -0.03 -0.51 -0.23 -0.69 0.41 0.00 0.00 173.24 172.19 1x6c s VAL 47 N 2.82 2.03 -0.20 3.43 1.01 0.26 -1.87 120.40 127.88 1x6c s VAL 47 Ca 0.34 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1x6c s VAL 47 Cb -0.15 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1x6c s VAL 47 CO 0.08 0.55 1.03 -0.22 0.00 0.00 0.00 175.10 176.54 1x6c s LEU 48 N 0.61 4.13 0.48 3.92 2.96 0.25 -1.19 118.68 129.85 1x6c s LEU 48 Ca -0.12 1.41 -0.05 0.00 -0.22 0.00 0.00 54.13 55.15 1x6c s LEU 48 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1x6c s LEU 48 CO 0.03 -0.62 0.78 -0.94 -1.32 0.00 0.00 176.35 174.27 1x6c s SER 49 N 1.18 6.18 -0.23 3.68 1.04 -1.15 0.19 113.70 124.59 1x6c s SER 49 Ca 0.45 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.77 1x6c s SER 49 Cb -0.16 -2.15 0.45 0.00 0.10 0.00 0.00 66.02 64.26 1x6c s SER 49 CO 0.09 -0.61 1.47 -0.90 0.98 0.00 0.00 173.24 174.26 1x6c n ASP 50 N -2.25 3.63 -4.16 7.02 5.75 -1.26 -4.53 116.55 120.75 1x6c n ASP 50 Ca 0.01 -2.85 -0.34 0.00 -0.01 0.00 0.00 54.79 51.60 1x6c n ASP 50 Cb 0.56 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.82 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 -2.06 2.53 0.92 0.11 -0.21 -1.26 -5.07 119.66 114.63 1x6c s GLN 51 Ca 0.35 -1.18 -0.13 0.00 0.02 0.00 0.00 55.36 54.42 1x6c s GLN 51 Cb 0.28 -3.03 0.15 0.00 1.00 0.00 0.00 33.01 31.41 1x6c s GLN 51 CO 0.08 -0.53 1.14 -1.25 -2.12 0.00 0.00 175.29 172.62 1x6c s PRO 52 N 1.24 1.03 -0.16 2.91 0.04 -1.26 -1.71 135.00 137.09 1x6c s PRO 52 Ca -0.04 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.11 1x6c s PRO 52 Cb -0.19 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.29 1x6c s PRO 52 CO -0.03 -2.26 0.29 1.63 0.04 0.00 0.00 177.00 176.67 1x6c n LYS 53 N -3.80 0.68 -0.02 4.56 5.02 -1.19 -4.61 118.16 118.80 1x6c n LYS 53 Ca 0.07 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1x6c n LYS 53 Cb 0.59 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.19 1.97 0.00 7.82 0.00 -1.26 -5.11 120.51 120.73 1x6c n ALA 54 Ca -0.32 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1x6c n ALA 54 Cb 0.89 0.07 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 2.59 0.27 3.59 0.00 0.00 -1.26 -4.96 105.19 105.42 1x6c n GLY 55 Ca -0.06 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 3.38 0.00 1.61 0.04 -1.26 -2.24 135.00 136.53 1x6c s PRO 56 Ca 0.00 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1x6c s PRO 56 Cb 0.00 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1x6c s PRO 56 CO 0.00 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1x6c n GLY 57 N 5.22 1.07 3.60 0.56 0.00 -1.26 -5.11 105.19 109.27 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 -0.92 4.46 0.36 1.61 1.04 -0.95 -5.06 113.70 114.24 1x6c s SER 58 Ca 0.00 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.70 1x6c s SER 58 Cb 0.00 -0.84 -0.09 0.00 0.10 0.00 0.00 66.02 65.19 1x6c s SER 58 CO 0.00 0.11 1.06 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.74 4.31 -0.09 4.02 0.04 -1.26 -4.71 135.00 134.57 1x6c s PRO 59 Ca 0.25 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1x6c s PRO 59 Cb -0.09 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1x6c s PRO 59 CO 0.16 -0.03 1.24 -0.51 0.04 0.00 0.00 177.00 177.90 1x6c s LEU 60 N -2.26 4.24 1.00 -3.56 1.43 -1.26 -3.16 118.68 115.11 1x6c s LEU 60 Ca 0.54 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 1x6c s LEU 60 Cb -0.25 -3.55 -0.13 0.00 0.03 0.00 0.00 46.19 42.28 1x6c s LEU 60 CO 0.32 -0.66 -0.79 0.54 0.23 0.00 0.00 176.35 175.99 1x6c n ARG 61 N 5.75 -0.07 -4.65 1.70 1.74 -0.70 -4.70 116.66 115.73 1x6c n ARG 61 Ca 0.12 -0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.92 1x6c n ARG 61 Cb 0.46 -1.10 -0.14 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.05 1.79 -0.17 1.55 1.01 -1.26 -2.94 120.40 118.34 1x6c s VAL 62 Ca 0.41 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1x6c s VAL 62 Cb -0.13 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1x6c s VAL 62 CO 0.78 0.21 -0.14 -0.89 0.00 0.00 0.00 175.10 175.06 1x6c s THR 63 N -0.85 1.71 -0.42 3.92 2.01 -0.34 -4.97 115.64 116.70 1x6c s THR 63 Ca 0.09 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1x6c s THR 63 Cb -0.09 -1.65 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1x6c s THR 63 CO 0.02 0.37 0.34 -1.00 -0.69 0.00 0.00 174.62 173.66 1x6c s HIS 64 N 1.41 3.23 -0.79 4.92 3.76 -1.26 0.89 115.29 127.45 1x6c s HIS 64 Ca 0.03 -0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 54.17 1x6c s HIS 64 Cb -0.14 -2.73 0.17 0.00 1.11 0.00 0.00 32.58 30.99 1x6c s HIS 64 CO -0.10 -0.64 0.82 0.42 -0.85 0.00 0.00 174.74 174.38 1x6c s ILE 65 N 1.75 5.24 0.43 0.60 1.09 0.35 -4.84 121.20 125.83 1x6c s ILE 65 Ca 0.06 -1.94 -0.25 0.00 -1.10 0.00 0.00 60.65 57.42 1x6c s ILE 65 Cb -0.19 -4.53 -0.09 0.00 -1.06 0.00 0.00 42.46 36.58 1x6c s ILE 65 CO 0.10 -1.14 1.29 0.29 -0.10 0.00 0.00 174.94 175.37 1x6c n LYS 66 N 5.07 1.94 -4.70 2.79 4.76 -1.26 -1.49 118.16 125.26 1x6c n LYS 66 Ca 0.10 0.69 -0.33 0.00 -2.87 0.00 0.00 58.31 55.90 1x6c n LYS 66 Cb 0.46 -2.41 -0.15 0.00 -1.84 0.00 0.00 35.03 31.08 1x6c n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1x6c s VAL 67 N -1.21 2.66 -0.39 -0.18 1.01 -0.02 -4.27 120.40 118.00 1x6c s VAL 67 Ca 0.62 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1x6c s VAL 67 Cb -0.50 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1x6c s VAL 67 CO 0.57 0.52 0.27 -0.04 0.00 0.00 0.00 175.10 176.43 1x6c s MET 68 N 0.62 3.01 -0.74 2.72 -1.94 0.24 -3.63 119.30 119.59 1x6c s MET 68 Ca -0.09 -0.98 -0.17 0.00 -1.71 0.00 0.00 55.69 52.74 1x6c s MET 68 Cb -0.16 -3.91 0.16 0.00 2.01 0.00 0.00 34.83 32.93 1x6c s MET 68 CO 0.03 -0.70 0.78 0.00 -0.01 0.00 0.00 175.02 175.12 1x6c s GLU 70 N 1.60 1.18 -1.27 0.00 2.02 0.57 -4.74 118.70 118.06 1x6c s GLU 70 Ca 0.17 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 1x6c s GLU 70 Cb -0.16 -1.14 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1x6c s GLU 70 CO -0.03 0.30 0.34 0.41 0.02 0.00 0.00 175.26 176.30 1x6c n GLY 71 N 2.75 -0.50 2.44 -1.39 0.00 -1.26 0.12 105.19 107.35 1x6c n GLY 71 Ca -0.14 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.11 0.84 3.29 -0.02 0.00 -1.26 -4.98 105.19 101.94 1x6c n GLY 72 Ca -0.08 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.21 2.81 -0.11 1.61 0.52 0.31 -4.49 118.95 117.40 1x6c s ARG 73 Ca 0.00 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1x6c s ARG 73 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1x6c s ARG 73 CO 0.00 0.32 0.09 0.71 0.02 0.00 0.00 175.30 176.44 1x6c s TYR 74 N 0.01 3.44 -0.05 -0.53 2.02 0.98 -0.32 117.35 122.90 1x6c s TYR 74 Ca -0.08 0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.79 1x6c s TYR 74 Cb -0.15 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1x6c s TYR 74 CO 0.05 0.64 0.52 -0.08 -1.57 0.00 0.00 175.55 175.11 1x6c s THR 75 N -0.98 0.02 -2.19 -0.71 -1.32 -0.70 -1.28 115.64 108.48 1x6c s THR 75 Ca 0.15 -0.19 0.19 0.00 -1.21 0.00 0.00 61.69 60.63 1x6c s THR 75 Cb -0.12 -0.83 0.46 0.00 -1.51 0.00 0.00 72.50 70.50 1x6c s THR 75 CO 0.04 -0.11 1.43 1.33 -2.21 0.00 0.00 174.62 175.11 1x6c n VAL 76 N 1.19 0.55 0.00 5.08 0.24 -1.26 0.81 118.33 124.94 1x6c n VAL 76 Ca -0.20 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1x6c n VAL 76 Cb 0.57 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.35 1.60 3.87 7.63 0.00 -1.26 -4.81 105.19 113.57 1x6c n GLY 77 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 2.39 0.08 -0.02 0.00 -1.26 -5.04 107.32 101.47 1x6c s GLY 78 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 1x6c s GLY 78 CO 0.00 -1.93 1.42 1.41 0.00 0.00 0.00 173.10 173.99 1x6c h LEU 79 N 0.89 0.57-10.00 0.66 3.38 -2.00 -3.44 115.31 105.36 1x6c h LEU 79 Ca -0.38 -0.44 -0.56 0.00 0.09 0.00 0.00 57.88 56.59 1x6c h LEU 79 Cb 1.29 -0.16 0.14 0.00 0.09 0.00 0.00 40.66 42.03 1x6c h LEU 79 CO 0.60 0.89 0.55 -0.62 0.09 0.00 0.00 178.44 179.94 1x6c n GLU 80 N -4.44 1.62 -3.71 1.13 1.02 -1.26 -5.02 120.64 109.98 1x6c n GLU 80 Ca -0.04 0.60 -0.17 0.00 -0.02 0.00 0.00 57.16 57.52 1x6c n GLU 80 Cb 0.38 -2.52 -0.05 0.00 -0.02 0.00 0.00 31.44 29.23 1x6c n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x6c n THR 81 N -1.07 0.00 -3.57 2.62 -2.24 -1.26 -4.66 114.28 104.10 1x6c n THR 81 Ca 0.11 -1.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.00 1x6c n THR 81 Cb 0.44 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.80 -0.42 -0.11 4.78 0.08 -0.40 -4.88 117.98 114.23 1x6c s PHE 82 Ca 0.21 0.42 0.13 0.00 0.12 0.00 0.00 56.93 57.80 1x6c s PHE 82 Cb 0.01 0.35 -0.24 0.00 -0.57 0.00 0.00 43.02 42.58 1x6c s PHE 82 CO 0.15 -0.66 0.41 -0.25 -0.10 0.00 0.00 175.22 174.77 1x6c n ASP 83 N 0.29 0.71 -4.17 1.36 8.00 -1.26 -0.01 116.55 121.46 1x6c n ASP 83 Ca -0.18 0.24 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 1x6c n ASP 83 Cb 0.61 0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 41.80 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x6c s SER 84 N -5.97 1.87 0.55 -2.24 0.01 -1.26 -4.87 113.70 101.79 1x6c s SER 84 Ca -0.09 -0.49 0.26 0.00 1.31 0.00 0.00 55.95 56.94 1x6c s SER 84 Cb 0.07 -0.13 1.46 0.00 0.21 0.00 0.00 66.02 67.64 1x6c s SER 84 CO 0.81 0.06 2.03 -0.07 0.41 0.00 0.00 173.24 176.48 1x6c h LEU 85 N 4.85 0.00 0.04 2.44 -0.00 -1.98 -0.48 115.31 120.18 1x6c h LEU 85 Ca -0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1x6c h LEU 85 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1x6c h LEU 85 CO 0.43 0.00 -0.02 0.74 -0.00 0.00 0.00 178.44 179.60 1x6c h THR 86 N 0.00 1.17 0.00 0.22 2.02 -1.95 0.44 112.91 114.82 1x6c h THR 86 Ca 0.18 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1x6c h THR 86 Cb 0.78 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1x6c h THR 86 CO -0.00 0.17 0.00 0.44 0.37 0.00 0.00 175.52 176.50 1x6c h ASP 87 N -0.35 0.00 0.05 4.18 3.32 -1.54 0.80 116.42 122.88 1x6c h ASP 87 Ca -0.01 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.80 1x6c h ASP 87 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1x6c h ASP 87 CO 0.01 0.00 -1.30 0.25 -1.72 0.00 0.00 179.24 176.48 1x6c h LEU 88 N 0.00 0.17 -0.30 1.55 6.46 -0.65 -3.23 115.31 119.31 1x6c h LEU 88 Ca 0.00 -0.72 -0.18 0.00 -0.12 0.00 0.00 57.88 56.86 1x6c h LEU 88 Cb 0.21 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1x6c h LEU 88 CO 0.00 1.54 -0.50 0.58 -0.62 0.00 0.00 178.44 179.44 1x6c h VAL 89 N -0.64 1.28 0.00 1.05 2.07 0.40 -2.45 116.25 117.96 1x6c h VAL 89 Ca -0.32 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1x6c h VAL 89 Cb 1.52 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1x6c h VAL 89 CO -0.07 0.55 0.00 -0.62 0.02 0.00 0.00 177.57 177.45 1x6c n GLU 90 N -4.04 0.07 -0.06 1.57 -0.58 0.27 0.30 120.64 118.18 1x6c n GLU 90 Ca -0.04 0.45 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 1x6c n GLU 90 Cb 0.60 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1x6c n GLU 90 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x6c h HIS 91 N 0.00 0.00 0.00 -0.32 2.76 -1.46 -3.35 115.15 112.78 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 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1x6c h HIS 91 CO 0.00 0.08 0.00 1.19 -1.30 0.00 0.00 177.93 177.90 1x6c n PHE 92 N -4.71 0.00 0.29 5.26 3.72 -1.08 -2.83 117.46 118.10 1x6c n PHE 92 Ca -0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1x6c n PHE 92 Cb 0.13 -0.35 0.75 0.00 -0.94 0.00 0.00 39.48 39.07 1x6c n PHE 92 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1x6c h LYS 93 N 0.00 0.00 0.00 -1.08 1.57 -0.28 -0.59 116.57 116.18 1x6c h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x6c h LYS 93 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1x6c h LYS 93 CO 0.00 0.00 -0.14 0.36 -0.57 0.00 0.00 179.45 179.10 1x6c n LYS 94 N -2.62 0.07 0.11 3.15 2.85 -1.13 -4.30 118.16 116.30 1x6c n LYS 94 Ca -0.01 0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 1x6c n LYS 94 Cb 0.14 -0.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.97 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 -0.14 0.25 0.00 0.58 1.35 -1.64 -3.48 112.91 109.84 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 0.14 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 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 -1.44 -3.16 3.35 5.82 0.00 -0.23 -4.92 105.19 104.61 1x6c n GLY 96 Ca -0.07 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.86 2.18 -0.17 -0.61 1.01 0.42 -4.81 121.20 118.36 1x6c s ILE 97 Ca 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.20 1x6c s ILE 97 Cb 0.00 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1x6c s ILE 97 CO 0.00 0.41 0.27 -0.70 0.00 0.00 0.00 174.94 174.92 1x6c s GLU 98 N -1.12 4.24 0.60 2.79 2.12 -1.26 0.18 118.70 126.25 1x6c s GLU 98 Ca 0.12 0.04 -0.07 0.00 0.36 0.00 0.00 54.97 55.42 1x6c s GLU 98 Cb -0.10 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1x6c s GLU 98 CO 0.02 0.22 0.93 -1.21 -0.54 0.00 0.00 175.26 174.67 1x6c s GLU 99 N 0.53 2.97 0.26 4.30 2.02 0.15 -4.95 118.70 123.98 1x6c s GLU 99 Ca 0.15 0.10 0.24 0.00 0.02 0.00 0.00 54.97 55.48 1x6c s GLU 99 Cb -0.13 -2.24 0.97 0.00 0.10 0.00 0.00 34.13 32.84 1x6c s GLU 99 CO 0.03 -0.71 1.73 0.00 0.02 0.00 0.00 175.26 176.33 1x6c n ALA 100 N -2.63 1.74 0.21 5.21 0.00 -1.26 -1.70 120.51 122.09 1x6c n ALA 100 Ca 0.05 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1x6c n ALA 100 Cb 0.57 -1.41 0.13 0.00 0.00 0.00 0.00 19.45 18.74 1x6c n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x6c h SER 101 N 0.00 0.00 0.00 0.00 4.64 -2.03 -3.47 113.55 112.69 1x6c h SER 101 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1x6c h SER 101 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1x6c h SER 101 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1x6c n GLY 102 N 1.14 2.33 3.78 -0.77 0.00 -0.69 -5.08 105.19 105.91 1x6c n GLY 102 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.20 2.75 0.22 4.61 0.00 -1.26 -4.65 121.76 121.24 1x6c s ALA 103 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.77 1x6c s ALA 103 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1x6c s ALA 103 CO 0.00 -0.63 0.32 -0.06 0.00 0.00 0.00 175.76 175.39 1x6c s PHE 104 N -1.82 3.41 0.05 0.00 0.40 -1.26 0.30 117.98 119.05 1x6c s PHE 104 Ca 0.71 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 57.07 1x6c s PHE 104 Cb -0.22 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 1x6c s PHE 104 CO 0.25 0.47 -0.11 0.08 0.70 0.00 0.00 175.22 176.60 1x6c s VAL 105 N -1.95 0.88 0.06 -0.44 1.01 0.49 -4.90 120.40 115.54 1x6c s VAL 105 Ca 0.34 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1x6c s VAL 105 Cb -0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1x6c s VAL 105 CO 0.28 -0.22 -0.08 -0.31 0.00 0.00 0.00 175.10 174.77 1x6c s TYR 106 N -1.18 0.77 -0.52 5.22 2.02 -1.26 0.16 117.35 122.56 1x6c s TYR 106 Ca -0.04 -0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 1x6c s TYR 106 Cb -0.09 -0.45 0.12 0.00 -0.40 0.00 0.00 41.96 41.13 1x6c s TYR 106 CO 0.01 -0.08 0.48 -0.51 -1.57 0.00 0.00 175.55 173.88 1x6c s LEU 107 N -1.86 6.06 -0.12 -1.29 1.02 -1.26 -4.43 118.68 116.81 1x6c s LEU 107 Ca -0.05 -1.70 -0.05 0.00 0.02 0.00 0.00 54.13 52.35 1x6c s LEU 107 Cb -0.07 -2.20 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 1x6c s LEU 107 CO -0.00 -0.81 -0.05 0.03 0.02 0.00 0.00 176.35 175.53 1x6c h ARG 108 N 8.85 0.00 -4.35 1.70 3.08 -0.40 -3.44 114.38 119.82 1x6c h ARG 108 Ca -0.29 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.40 1x6c h ARG 108 Cb 1.10 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.86 1x6c h ARG 108 CO 1.00 0.04 -0.76 1.14 -1.07 0.00 0.00 179.97 180.32 1x6c s GLN 109 N -1.88 0.54 0.63 0.04 0.00 -1.10 -5.05 119.66 112.85 1x6c s GLN 109 Ca -0.07 -0.20 -0.14 0.00 -0.00 0.00 0.00 55.36 54.95 1x6c s GLN 109 Cb 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 33.01 32.46 1x6c s GLN 109 CO 0.12 0.10 1.05 -1.25 0.00 0.00 0.00 175.29 175.31 1x6c s PRO 110 N 0.03 3.22 0.40 9.60 0.04 -1.26 -2.70 135.00 144.32 1x6c s PRO 110 Ca 0.00 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 1x6c s PRO 110 Cb -0.04 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1x6c s PRO 110 CO -0.00 -0.88 0.95 -0.47 0.04 0.00 0.00 177.00 176.63 1x6c s TYR 111 N -2.70 3.41 -0.17 0.56 5.04 0.68 -4.84 117.35 119.32 1x6c s TYR 111 Ca 0.61 1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 56.86 1x6c s TYR 111 Cb -0.15 -2.87 0.05 0.00 0.35 0.00 0.00 41.96 39.35 1x6c s TYR 111 CO 0.44 -0.02 0.04 0.71 -1.34 0.00 0.00 175.55 175.37 1x6c s TYR 112 N -2.03 0.84 -0.05 4.97 1.51 -1.26 -4.80 117.35 116.52 1x6c s TYR 112 Ca 0.59 -0.65 -0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1x6c s TYR 112 Cb -0.11 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1x6c s TYR 112 CO 0.16 -0.54 0.18 -1.12 -1.11 0.00 0.00 175.55 173.12 1x6c s SER 113 N 1.92 6.40 -0.29 2.29 0.01 -1.26 -5.07 113.70 117.70 1x6c s SER 113 Ca 0.01 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 1x6c s SER 113 Cb -0.16 -2.05 0.19 0.00 0.21 0.00 0.00 66.02 64.21 1x6c s SER 113 CO -0.08 0.32 0.84 -0.83 0.41 0.00 0.00 173.24 173.91 1x6c s GLY 114 N -1.52 -1.03 -0.21 3.44 0.00 -1.26 -5.13 107.32 101.60 1x6c s GLY 114 Ca 0.22 1.71 -0.29 0.00 0.00 0.00 0.00 44.72 46.36 1x6c s GLY 114 CO 0.12 3.88 1.30 2.56 0.00 0.00 0.00 173.10 180.97 1x6c s PRO 115 N 2.90 4.09 0.34 2.90 0.04 -1.26 -4.75 135.00 139.26 1x6c s PRO 115 Ca 0.18 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1x6c s PRO 115 Cb -0.06 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1x6c s PRO 115 CO -0.23 -0.89 0.00 0.43 0.04 0.00 0.00 177.00 176.34 1x6c n SER 116 N 7.09 -4.75 -4.35 6.66 7.64 -1.26 -4.96 113.62 119.68 1x6c n SER 116 Ca 0.15 1.04 -0.32 0.00 1.01 0.00 0.00 58.87 60.74 1x6c n SER 116 Cb 0.45 -2.48 -0.15 0.00 -1.01 0.00 0.00 64.21 61.03 1x6c n SER 116 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6c s SER 117 N -4.50 3.60 0.00 6.43 0.01 -1.26 -5.24 113.70 112.73 1x6c s SER 117 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1x6c s SER 117 Cb 0.00 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1x6c s SER 117 CO 0.00 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.51