#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 -0.27 -0.13 1.61 0.15 -1.26 -5.06 113.70 108.74 1x6c s SER 2 Ca 0.00 0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 1x6c s SER 2 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1x6c s SER 2 CO 0.00 -0.05 0.11 -0.24 1.20 0.00 0.00 173.24 174.26 1x6c n SER 3 N 5.33 -4.21 -3.67 5.45 2.88 -1.26 -5.09 113.62 113.05 1x6c n SER 3 Ca -0.01 0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 57.80 1x6c n SER 3 Cb 0.56 -2.61 -0.09 0.00 -0.75 0.00 0.00 64.21 61.32 1x6c n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6c s GLY 4 N -1.08 -0.48 -0.74 0.46 0.00 -1.26 -4.99 107.32 99.23 1x6c s GLY 4 Ca 0.04 1.92 0.03 0.00 0.00 0.00 0.00 44.72 46.71 1x6c s GLY 4 CO 0.29 1.89 1.03 -1.14 0.00 0.00 0.00 173.10 175.16 1x6c n SER 5 N 3.85 4.75 0.00 1.64 3.41 -1.26 -5.00 113.62 121.01 1x6c n SER 5 Ca -0.19 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1x6c n SER 5 Cb 0.57 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1x6c n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x6c n SER 6 N 0.58 0.00 -2.74 4.04 7.64 -1.26 -5.10 113.62 116.78 1x6c n SER 6 Ca 0.31 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.11 1x6c n SER 6 Cb 0.38 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.22 0.13 0.01 0.23 0.00 -1.26 -4.94 105.19 99.14 1x6c n GLY 7 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 1.20 0.00 -1.59 1.61 4.27 -1.26 -4.81 117.44 116.85 1x6c n TRP 8 Ca 0.07 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.30 1x6c n TRP 8 Cb 0.66 -0.31 -0.03 0.00 -1.36 0.00 0.00 31.31 30.27 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 -3.03 1.13 -1.74 -2.67 5.04 -1.26 -3.28 117.35 111.55 1x6c s TYR 9 Ca -0.04 1.17 0.28 0.00 -2.44 0.00 0.00 57.07 56.04 1x6c s TYR 9 Cb 0.11 -3.72 1.53 0.00 0.35 0.00 0.00 41.96 40.23 1x6c s TYR 9 CO 0.69 -3.09 1.97 0.72 -1.34 0.00 0.00 175.55 174.50 1x6c n HIS 10 N 14.27 0.00 0.00 4.97 8.25 0.44 -4.98 115.22 138.17 1x6c n HIS 10 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1x6c n HIS 10 Cb 0.51 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1x6c n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x6c n GLY 11 N 0.87 1.32 3.12 -1.41 0.00 -1.26 -4.61 105.19 103.21 1x6c n GLY 11 Ca 0.17 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1x6c n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x6c s HIS 12 N 0.00 3.48 0.23 1.61 2.46 -1.26 0.98 115.29 122.79 1x6c s HIS 12 Ca 0.00 -2.68 0.06 0.00 0.47 0.00 0.00 55.06 52.91 1x6c s HIS 12 Cb 0.00 -3.27 -0.03 0.00 -0.13 0.00 0.00 32.58 29.15 1x6c s HIS 12 CO 0.00 -0.84 0.26 1.41 -2.47 0.00 0.00 174.74 173.10 1x6c s MET 13 N -0.19 3.16 -0.20 2.88 0.00 -1.23 -4.87 119.30 118.84 1x6c s MET 13 Ca 0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 55.69 54.87 1x6c s MET 13 Cb -0.18 -2.72 -0.05 0.00 0.00 0.00 0.00 34.83 31.88 1x6c s MET 13 CO -0.05 0.43 0.15 0.45 0.00 0.00 0.00 175.02 176.00 1x6c s SER 14 N -3.80 6.21 0.09 1.11 0.15 -1.26 -4.54 113.70 111.66 1x6c s SER 14 Ca 0.33 0.23 -0.17 0.00 0.70 0.00 0.00 55.95 57.05 1x6c s SER 14 Cb -0.09 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1x6c s SER 14 CO 0.27 0.15 1.17 0.61 1.20 0.00 0.00 173.24 176.64 1x6c n GLY 15 N 3.64 -2.48 0.33 9.45 0.00 -1.26 0.13 105.19 115.01 1x6c n GLY 15 Ca -0.15 0.84 0.22 0.00 0.00 0.00 0.00 46.02 46.93 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 1.94 0.53 -0.02 0.00 -2.00 -0.77 103.07 102.75 1x6c h GLY 16 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1x6c h GLY 16 CO -0.50 -0.50 -0.25 -1.61 0.00 0.00 0.00 176.54 173.67 1x6c h GLN 17 N 0.27 -0.69 -0.93 4.80 4.15 0.69 -2.80 115.11 120.60 1x6c h GLN 17 Ca 0.71 0.05 0.15 0.00 0.77 0.00 0.00 58.65 60.32 1x6c h GLN 17 Cb 1.61 0.16 -0.15 0.00 0.21 0.00 0.00 27.48 29.30 1x6c h GLN 17 CO -0.64 -0.46 -0.35 0.00 -1.93 0.00 0.00 178.83 175.45 1x6c n ALA 18 N -2.43 -0.09 -0.26 3.38 0.00 -0.06 0.14 120.51 121.19 1x6c n ALA 18 Ca -0.09 0.93 0.02 0.00 0.00 0.00 0.00 53.44 54.30 1x6c n ALA 18 Cb 0.28 -0.43 0.09 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 -0.22 0.00 5.08 -1.17 1.54 114.58 119.82 1x6c h GLU 19 Ca 0.33 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.56 1x6c h GLU 19 Cb 0.57 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x6c h GLU 19 CO -0.93 0.00 -0.40 1.15 -1.00 0.00 0.00 179.01 177.84 1x6c h THR 20 N 0.00 1.32 -0.09 1.13 2.02 0.15 -1.04 112.91 116.40 1x6c h THR 20 Ca 0.36 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1x6c h THR 20 Cb 0.56 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1x6c h THR 20 CO -0.77 0.51 -0.07 -0.07 0.37 0.00 0.00 175.52 175.48 1x6c h LEU 21 N 0.35 -0.22 -0.78 2.58 4.07 0.34 1.47 115.31 123.13 1x6c h LEU 21 Ca 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1x6c h LEU 21 Cb 1.00 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 1x6c h LEU 21 CO 0.09 -0.10 0.46 -0.07 -1.08 0.00 0.00 178.44 177.74 1x6c h LEU 22 N -0.08 0.95 -0.45 1.67 3.38 0.21 -2.17 115.31 118.81 1x6c h LEU 22 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1x6c h LEU 22 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1x6c h LEU 22 CO -0.14 0.74 0.05 1.56 0.09 0.00 0.00 178.44 180.74 1x6c h GLN 23 N 1.07 0.76 -0.90 1.13 4.20 -0.29 0.83 115.11 121.91 1x6c h GLN 23 Ca 0.28 -0.22 0.17 0.00 0.06 0.00 0.00 58.65 58.94 1x6c h GLN 23 Cb -0.02 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 1x6c h GLN 23 CO -0.05 0.80 0.58 0.00 -0.67 0.00 0.00 178.83 179.49 1x6c h ALA 24 N 0.93 1.96 0.10 3.87 0.00 0.26 -2.13 119.26 124.25 1x6c h ALA 24 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x6c h ALA 24 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x6c h ALA 24 CO 0.01 -0.23 -0.05 -0.22 0.00 0.00 0.00 179.25 178.77 1x6c h LYS 25 N 0.58 -0.12 0.00 0.00 1.63 -0.93 -3.48 116.57 114.26 1x6c h LYS 25 Ca 0.46 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1x6c h LYS 25 Cb 0.90 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1x6c h LYS 25 CO -0.21 0.26 0.00 0.41 -3.45 0.00 0.00 179.45 176.46 1x6c n GLY 26 N 1.22 1.46 3.63 5.01 0.00 0.24 -5.00 105.19 111.75 1x6c n GLY 26 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 2.14 -2.47 1.61 1.02 -1.26 -4.91 120.64 114.77 1x6c n GLU 27 Ca 0.00 0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 57.46 1x6c n GLU 27 Cb 0.00 -2.81 -0.03 0.00 -0.02 0.00 0.00 31.44 28.58 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 4.87 4.49 -0.40 3.49 0.04 -1.26 -3.16 135.00 143.07 1x6c s PRO 28 Ca 0.96 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 1x6c s PRO 28 Cb -0.59 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1x6c s PRO 28 CO 0.46 -0.13 0.34 0.91 0.04 0.00 0.00 177.00 178.63 1x6c n TRP 29 N 3.38 -0.82 -3.78 0.56 5.03 0.42 -4.80 117.44 117.43 1x6c n TRP 29 Ca 0.07 0.30 -0.36 0.00 3.03 0.00 0.00 57.50 60.53 1x6c n TRP 29 Cb 0.47 -2.36 -0.13 0.00 -1.03 0.00 0.00 31.31 28.25 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 -3.10 4.09 0.35 -0.99 2.01 -1.06 -1.47 115.64 115.46 1x6c s THR 30 Ca 0.14 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1x6c s THR 30 Cb -0.06 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1x6c s THR 30 CO 0.22 0.30 0.27 0.72 -0.69 0.00 0.00 174.62 175.44 1x6c s PHE 31 N 1.57 2.84 -0.25 4.92 -0.71 -0.88 0.13 117.98 125.59 1x6c s PHE 31 Ca 0.06 -0.34 -0.26 0.00 -1.04 0.00 0.00 56.93 55.35 1x6c s PHE 31 Cb -0.15 -1.81 0.10 0.00 -1.21 0.00 0.00 43.02 39.94 1x6c s PHE 31 CO 0.02 0.18 0.87 -0.48 -1.34 0.00 0.00 175.22 174.47 1x6c s LEU 32 N -3.98 -0.59 -0.16 -1.99 0.05 -0.78 0.14 118.68 111.38 1x6c s LEU 32 Ca 0.41 1.06 -0.13 0.00 0.05 0.00 0.00 54.13 55.52 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 0.26 -0.24 0.27 -0.69 -0.55 0.00 0.00 176.35 175.40 1x6c s VAL 33 N 0.08 5.31 -0.07 1.48 1.01 -1.20 -2.63 120.40 124.38 1x6c s VAL 33 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1x6c s VAL 33 Cb -0.04 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.01 0.41 0.19 0.00 0.00 0.00 0.00 175.10 175.69 1x6c s ARG 34 N 0.32 0.26 0.43 2.72 1.70 -0.72 -0.42 118.95 123.23 1x6c s ARG 34 Ca 0.16 0.20 -0.23 0.00 -0.47 0.00 0.00 55.73 55.39 1x6c s ARG 34 Cb -0.13 0.12 -0.09 0.00 -0.57 0.00 0.00 34.95 34.29 1x6c s ARG 34 CO 0.04 -0.04 1.04 -1.21 -1.08 0.00 0.00 175.30 174.05 1x6c s GLU 35 N -0.06 4.03 0.13 3.89 2.02 0.27 0.10 118.70 129.08 1x6c s GLU 35 Ca -0.02 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.15 1x6c s GLU 35 Cb -0.02 -2.37 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 1x6c s GLU 35 CO 0.00 -0.25 0.87 0.45 0.02 0.00 0.00 175.26 176.36 1x6c s SER 36 N -1.73 7.43 -0.16 -0.19 0.15 -0.63 -3.58 113.70 115.00 1x6c s SER 36 Ca 0.61 1.71 -0.22 0.00 0.70 0.00 0.00 55.95 58.76 1x6c s SER 36 Cb -0.20 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.38 1x6c s SER 36 CO 0.24 0.06 0.40 -0.07 1.20 0.00 0.00 173.24 175.07 1x6c h LEU 37 N 5.06 0.00 -2.18 3.45 3.38 -1.91 -3.33 115.31 119.79 1x6c h LEU 37 Ca -0.44 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 56.89 1x6c h LEU 37 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1x6c h LEU 37 CO 0.70 1.12 -0.05 0.77 0.09 0.00 0.00 178.44 181.06 1x6c h SER 38 N -1.00 0.00 -3.47 -0.43 4.64 -1.97 -3.35 113.55 107.97 1x6c h SER 38 Ca -0.14 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.56 1x6c h SER 38 Cb 0.98 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.67 1x6c h SER 38 CO -0.08 0.05 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.10 1x6c s GLN 39 N -4.11 1.15 -0.52 4.77 -1.52 -1.25 -5.08 119.66 113.09 1x6c s GLN 39 Ca -0.03 -1.57 -0.28 0.00 -1.95 0.00 0.00 55.36 51.53 1x6c s GLN 39 Cb 0.12 -2.59 0.01 0.00 -0.22 0.00 0.00 33.01 30.33 1x6c s GLN 39 CO 0.52 -0.99 1.48 -1.25 -0.25 0.00 0.00 175.29 174.80 1x6c s PRO 40 N 1.11 3.30 0.00 2.91 0.04 -1.25 -2.60 135.00 138.50 1x6c s PRO 40 Ca 0.11 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1x6c s PRO 40 Cb -0.19 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x6c s PRO 40 CO -0.15 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1x6c n GLY 41 N 5.28 1.00 3.95 0.56 0.00 -1.26 -5.11 105.19 109.60 1x6c n GLY 41 Ca 0.15 0.00 -0.25 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 -0.66 4.70 0.05 1.61 1.11 -1.07 -4.82 116.67 117.59 1x6c s ASP 42 Ca 0.00 0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.94 1x6c s ASP 42 Cb 0.00 -0.81 -0.03 0.00 1.07 0.00 0.00 42.92 43.15 1x6c s ASP 42 CO 0.00 -1.64 -0.04 -0.36 1.18 0.00 0.00 175.17 174.31 1x6c s PHE 43 N -3.18 0.57 0.05 4.23 0.40 -1.20 -1.61 117.98 117.25 1x6c s PHE 43 Ca 0.62 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 56.19 1x6c s PHE 43 Cb -0.09 -0.38 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 1x6c s PHE 43 CO 0.44 -0.25 -0.26 0.08 0.70 0.00 0.00 175.22 175.93 1x6c s VAL 44 N -3.03 2.09 -0.34 -0.44 1.01 0.28 0.62 120.40 120.59 1x6c s VAL 44 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1x6c s VAL 44 Cb 0.01 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1x6c s VAL 44 CO -0.06 0.33 0.05 -0.22 0.00 0.00 0.00 175.10 175.20 1x6c s LEU 45 N -1.28 4.74 -0.32 3.92 2.96 0.15 -1.76 118.68 127.09 1x6c s LEU 45 Ca 0.11 -2.15 -0.17 0.00 -0.22 0.00 0.00 54.13 51.70 1x6c s LEU 45 Cb -0.10 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1x6c s LEU 45 CO 0.02 -0.38 0.47 -0.44 -1.32 0.00 0.00 176.35 174.70 1x6c s SER 46 N 0.91 6.31 -0.11 3.68 0.01 -1.08 0.19 113.70 123.61 1x6c s SER 46 Ca 0.11 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1x6c s SER 46 Cb -0.19 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1x6c s SER 46 CO -0.08 -0.37 -0.19 -0.69 0.41 0.00 0.00 173.24 172.32 1x6c s VAL 47 N 2.28 2.49 -0.03 3.43 1.01 0.18 -1.86 120.40 127.89 1x6c s VAL 47 Ca 0.18 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1x6c s VAL 47 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1x6c s VAL 47 CO 0.12 0.55 0.90 -0.22 0.00 0.00 0.00 175.10 176.44 1x6c s LEU 48 N 0.29 4.34 0.33 3.92 2.96 0.34 -1.31 118.68 129.55 1x6c s LEU 48 Ca -0.14 1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1x6c s LEU 48 Cb -0.17 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1x6c s LEU 48 CO 0.07 -0.24 0.55 -0.94 -1.32 0.00 0.00 176.35 174.48 1x6c s SER 49 N 0.96 6.33 -0.14 3.68 1.04 -1.03 0.16 113.70 124.70 1x6c s SER 49 Ca 0.47 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.51 1x6c s SER 49 Cb -0.20 -2.07 0.44 0.00 0.10 0.00 0.00 66.02 64.29 1x6c s SER 49 CO 0.24 -0.27 1.22 -0.90 0.98 0.00 0.00 173.24 174.50 1x6c n ASP 50 N -1.55 3.57 -4.20 7.02 5.75 -1.26 -4.51 116.55 121.37 1x6c n ASP 50 Ca -0.04 -2.55 -0.36 0.00 -0.01 0.00 0.00 54.79 51.84 1x6c n ASP 50 Cb 0.55 -0.61 -0.13 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.94 2.48 0.95 0.11 -0.21 -1.26 -5.08 119.66 114.71 1x6c s GLN 51 Ca 0.30 -1.25 -0.14 0.00 0.02 0.00 0.00 55.36 54.29 1x6c s GLN 51 Cb 0.23 -3.27 0.16 0.00 1.00 0.00 0.00 33.01 31.14 1x6c s GLN 51 CO 0.08 -0.64 1.16 -1.25 -2.12 0.00 0.00 175.29 172.52 1x6c s PRO 52 N 1.29 0.82 -0.17 2.91 0.04 -1.26 -2.24 135.00 136.38 1x6c s PRO 52 Ca -0.04 0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 1x6c s PRO 52 Cb -0.20 -1.81 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 1x6c s PRO 52 CO -0.00 -2.39 0.24 1.63 0.04 0.00 0.00 177.00 176.52 1x6c n LYS 53 N -3.88 0.67 -0.02 4.56 5.02 -1.15 -4.62 118.16 118.74 1x6c n LYS 53 Ca 0.08 0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1x6c n LYS 53 Cb 0.59 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.25 1.97 0.00 7.82 0.00 -1.26 -5.11 120.51 120.68 1x6c n ALA 54 Ca -0.34 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1x6c n ALA 54 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 0.27 3.60 0.00 0.00 -1.26 -4.96 105.19 105.40 1x6c n GLY 55 Ca -0.06 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 3.60 0.00 1.61 0.04 -1.26 -2.25 135.00 136.74 1x6c s PRO 56 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1x6c s PRO 56 Cb 0.00 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1x6c s PRO 56 CO 0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1x6c n GLY 57 N 5.01 0.78 3.63 0.56 0.00 -1.26 -5.10 105.19 108.81 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 -1.44 4.63 0.40 1.61 1.04 -0.95 -5.06 113.70 113.93 1x6c s SER 58 Ca 0.00 -0.42 -0.24 0.00 0.48 0.00 0.00 55.95 55.77 1x6c s SER 58 Cb 0.00 -0.94 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 1x6c s SER 58 CO 0.00 0.11 1.06 -2.16 0.98 0.00 0.00 173.24 173.22 1x6c s PRO 59 N -2.81 4.14 -0.10 4.02 0.04 -1.26 -4.72 135.00 134.32 1x6c s PRO 59 Ca 0.26 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1x6c s PRO 59 Cb -0.09 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1x6c s PRO 59 CO 0.17 -0.16 0.92 -0.51 0.04 0.00 0.00 177.00 177.46 1x6c s LEU 60 N -2.66 4.26 0.55 -3.56 1.43 -1.26 -2.94 118.68 114.49 1x6c s LEU 60 Ca 0.58 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.92 1x6c s LEU 60 Cb -0.22 -3.41 -0.12 0.00 0.03 0.00 0.00 46.19 42.47 1x6c s LEU 60 CO 0.28 -0.36 0.19 0.54 0.23 0.00 0.00 176.35 177.23 1x6c n ARG 61 N 4.73 0.25 -4.24 1.70 1.74 -0.95 -4.70 116.66 115.19 1x6c n ARG 61 Ca 0.06 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.94 1x6c n ARG 61 Cb 0.49 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.86 3.30 -0.19 1.55 1.01 -1.26 -2.46 120.40 120.48 1x6c s VAL 62 Ca 0.63 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1x6c s VAL 62 Cb -0.46 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1x6c s VAL 62 CO 0.60 0.09 -0.03 -0.89 0.00 0.00 0.00 175.10 174.88 1x6c s THR 63 N -1.24 1.10 -0.29 3.92 2.01 -0.43 -4.97 115.64 115.73 1x6c s THR 63 Ca 0.21 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1x6c s THR 63 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1x6c s THR 63 CO 0.13 -0.03 0.27 -1.00 -0.69 0.00 0.00 174.62 173.31 1x6c s HIS 64 N 1.61 3.23 -0.49 4.92 3.76 -1.25 0.47 115.29 127.54 1x6c s HIS 64 Ca -0.02 0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.97 1x6c s HIS 64 Cb -0.17 -2.49 0.13 0.00 1.11 0.00 0.00 32.58 31.16 1x6c s HIS 64 CO -0.07 -0.24 0.35 0.42 -0.85 0.00 0.00 174.74 174.35 1x6c s ILE 65 N 1.89 4.10 0.54 0.60 1.09 0.50 -4.85 121.20 125.06 1x6c s ILE 65 Ca 0.10 -1.96 -0.22 0.00 -1.10 0.00 0.00 60.65 57.47 1x6c s ILE 65 Cb -0.16 -3.70 -0.05 0.00 -1.06 0.00 0.00 42.46 37.48 1x6c s ILE 65 CO 0.11 -0.79 1.34 0.29 -0.10 0.00 0.00 174.94 175.79 1x6c n LYS 66 N 4.70 1.70 -4.37 2.79 4.01 -1.26 -0.68 118.16 125.05 1x6c n LYS 66 Ca -0.05 0.62 -0.33 0.00 -0.51 0.00 0.00 58.31 58.04 1x6c n LYS 66 Cb 0.41 -2.54 -0.16 0.00 -0.51 0.00 0.00 35.03 32.23 1x6c n LYS 66 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1x6c s VAL 67 N -1.29 2.39 -0.26 -0.18 1.01 0.20 -4.40 120.40 117.88 1x6c s VAL 67 Ca 0.70 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1x6c s VAL 67 Cb -0.43 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1x6c s VAL 67 CO 0.50 0.52 0.46 -0.04 0.00 0.00 0.00 175.10 176.54 1x6c s MET 68 N 1.04 4.06 -0.64 2.72 -1.94 0.23 -3.22 119.30 121.55 1x6c s MET 68 Ca -0.01 0.22 -0.09 0.00 -1.71 0.00 0.00 55.69 54.10 1x6c s MET 68 Cb -0.14 -3.64 0.17 0.00 2.01 0.00 0.00 34.83 33.22 1x6c s MET 68 CO -0.05 -0.29 0.53 0.00 -0.01 0.00 0.00 175.02 175.19 1x6c s GLU 70 N 0.53 2.16 -1.11 0.00 -1.05 -0.01 -4.72 118.70 114.50 1x6c s GLU 70 Ca 0.13 -0.53 -0.05 0.00 -0.15 0.00 0.00 54.97 54.37 1x6c s GLU 70 Cb -0.19 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.60 1x6c s GLU 70 CO -0.04 -0.12 0.68 0.41 0.95 0.00 0.00 175.26 177.14 1x6c n GLY 71 N 4.41 -0.21 2.36 -3.83 0.00 -1.26 -1.98 105.19 104.67 1x6c n GLY 71 Ca -0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.50 0.06 3.10 -0.02 0.00 -1.26 -4.99 105.19 100.58 1x6c n GLY 72 Ca -0.04 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.58 1.50 -0.12 1.61 0.52 -0.84 -4.59 118.95 112.45 1x6c s ARG 73 Ca 0.00 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1x6c s ARG 73 Cb 0.00 -1.34 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1x6c s ARG 73 CO 0.00 0.23 0.08 0.71 0.02 0.00 0.00 175.30 176.34 1x6c s TYR 74 N 0.01 3.41 -0.05 -0.53 2.02 0.86 -0.83 117.35 122.24 1x6c s TYR 74 Ca -0.02 0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.80 1x6c s TYR 74 Cb -0.10 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1x6c s TYR 74 CO 0.01 0.57 0.53 -0.08 -1.57 0.00 0.00 175.55 175.02 1x6c s THR 75 N -0.80 0.02 -2.21 -0.71 -1.32 -0.47 -1.20 115.64 108.96 1x6c s THR 75 Ca 0.13 -0.18 0.19 0.00 -1.21 0.00 0.00 61.69 60.62 1x6c s THR 75 Cb -0.12 -0.83 0.45 0.00 -1.51 0.00 0.00 72.50 70.49 1x6c s THR 75 CO 0.03 -0.10 1.44 1.33 -2.21 0.00 0.00 174.62 175.10 1x6c n VAL 76 N 1.23 0.52 0.00 5.08 0.24 -1.26 0.76 118.33 124.89 1x6c n VAL 76 Ca -0.19 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1x6c n VAL 76 Cb 0.57 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.33 1.80 3.77 7.63 0.00 -1.26 -4.87 105.19 113.59 1x6c n GLY 77 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 2.82 0.17 -0.02 0.00 -1.26 -5.04 107.32 101.99 1x6c s GLY 78 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1x6c s GLY 78 CO 0.00 -2.13 1.51 1.41 0.00 0.00 0.00 173.10 173.89 1x6c h LEU 79 N 1.30 0.86-10.03 0.66 3.38 -2.00 -3.44 115.31 106.04 1x6c h LEU 79 Ca -0.43 -0.40 -0.53 0.00 0.09 0.00 0.00 57.88 56.62 1x6c h LEU 79 Cb 1.30 -0.24 0.10 0.00 0.09 0.00 0.00 40.66 41.91 1x6c h LEU 79 CO 0.72 1.15 0.54 -1.61 0.09 0.00 0.00 178.44 179.34 1x6c s GLU 80 N -4.33 3.44 0.33 1.13 2.02 -1.26 -5.03 118.70 115.00 1x6c s GLU 80 Ca -0.10 1.99 0.06 0.00 0.02 0.00 0.00 54.97 56.95 1x6c s GLU 80 Cb 0.12 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1x6c s GLU 80 CO 0.86 -0.88 0.21 0.25 0.02 0.00 0.00 175.26 175.73 1x6c n THR 81 N -0.79 0.00 -3.61 3.63 -2.24 -1.26 -4.65 114.28 105.36 1x6c n THR 81 Ca 0.09 -2.23 -0.12 0.00 -2.27 0.00 0.00 64.05 59.52 1x6c n THR 81 Cb 0.47 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 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 -3.14 -0.31 -0.17 4.78 0.08 -0.34 -4.89 117.98 113.99 1x6c s PHE 82 Ca 0.30 0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.61 1x6c s PHE 82 Cb 0.01 0.29 -0.22 0.00 -0.57 0.00 0.00 43.02 42.53 1x6c s PHE 82 CO 0.21 -0.65 0.17 -0.25 -0.10 0.00 0.00 175.22 174.61 1x6c n ASP 83 N 0.22 1.41 -4.26 1.36 8.00 -1.26 -0.10 116.55 121.92 1x6c n ASP 83 Ca -0.18 0.10 -0.29 0.00 0.71 0.00 0.00 54.79 55.13 1x6c n ASP 83 Cb 0.61 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 41.37 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1x6c s SER 84 N -6.38 2.73 0.59 -2.24 1.04 -1.26 -4.86 113.70 103.32 1x6c s SER 84 Ca -0.20 -0.42 0.29 0.00 0.48 0.00 0.00 55.95 56.09 1x6c s SER 84 Cb 0.07 -0.35 1.51 0.00 0.10 0.00 0.00 66.02 67.36 1x6c s SER 84 CO 0.74 0.28 1.94 -0.07 0.98 0.00 0.00 173.24 177.11 1x6c h LEU 85 N 5.62 0.00 -0.23 2.42 -0.00 -1.96 0.21 115.31 121.37 1x6c h LEU 85 Ca -0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.42 1x6c h LEU 85 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1x6c h LEU 85 CO 0.47 0.00 -0.09 0.74 -0.00 0.00 0.00 178.44 179.57 1x6c h THR 86 N 0.00 1.30 0.00 0.22 2.02 -1.94 0.24 112.91 114.75 1x6c h THR 86 Ca 0.19 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1x6c h THR 86 Cb 1.02 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1x6c h THR 86 CO -0.00 0.35 0.00 -0.67 0.37 0.00 0.00 175.52 175.56 1x6c n ASP 87 N -4.55 0.29 -0.10 4.18 -0.08 0.69 0.37 116.55 117.36 1x6c n ASP 87 Ca -0.04 0.59 -0.17 0.00 -1.51 0.00 0.00 54.79 53.66 1x6c n ASP 87 Cb 0.32 -0.65 -0.08 0.00 2.34 0.00 0.00 41.12 43.05 1x6c n ASP 87 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1x6c n LEU 88 N -1.84 1.87 -0.17 -2.67 0.00 -0.83 -3.39 117.00 109.96 1x6c n LEU 88 Ca 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 56.01 56.46 1x6c n LEU 88 Cb 0.13 -0.89 0.19 0.00 0.00 0.00 0.00 43.42 42.85 1x6c n LEU 88 CO 0.12 0.07 1.04 0.58 0.00 0.00 0.00 177.39 179.20 1x6c h VAL 89 N -1.00 1.22 0.00 1.96 2.07 -0.30 0.74 116.25 120.95 1x6c h VAL 89 Ca -0.29 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1x6c h VAL 89 Cb 1.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1x6c h VAL 89 CO -0.17 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1x6c n GLU 90 N -4.31 0.26 -0.12 1.57 1.02 0.16 -0.60 120.64 118.63 1x6c n GLU 90 Ca 0.05 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 1x6c n GLU 90 Cb 0.18 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 1x6c n GLU 90 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1x6c n HIS 91 N -1.33 0.58 1.25 -0.32 -0.00 0.09 -4.26 115.22 111.24 1x6c n HIS 91 Ca 0.10 0.25 0.14 0.00 0.46 0.00 0.00 57.72 58.67 1x6c n HIS 91 Cb 0.20 -1.03 0.67 0.00 -0.12 0.00 0.00 29.99 29.70 1x6c n HIS 91 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1x6c n PHE 92 N -4.37 0.00 0.22 1.57 3.72 -0.26 -3.23 117.46 115.12 1x6c n PHE 92 Ca -0.40 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.09 1x6c n PHE 92 Cb 0.75 -0.35 0.43 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.34 0.11 0.03 -1.08 5.02 0.23 -0.26 118.16 120.87 1x6c n LYS 93 Ca 0.11 0.52 -0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1x6c n LYS 93 Cb 0.29 -1.81 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.04 0.01 -0.01 1.97 2.85 -1.20 -4.36 118.16 115.38 1x6c n LYS 94 Ca 0.00 0.01 0.23 0.00 -1.05 0.00 0.00 58.31 57.50 1x6c n LYS 94 Cb 0.09 -0.33 0.72 0.00 -0.65 0.00 0.00 35.03 34.86 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 0.45 -0.97 0.58 1.35 -1.63 -3.47 112.91 109.20 1x6c h THR 95 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 1x6c h THR 95 Cb 0.02 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 1x6c h THR 95 CO 0.00 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 175.80 1x6c n GLY 96 N -1.58 -1.83 3.23 5.82 0.00 0.65 -4.94 105.19 106.53 1x6c n GLY 96 Ca 0.12 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.58 1.44 -0.20 -0.61 1.01 -0.14 -4.83 121.20 117.29 1x6c s ILE 97 Ca 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 1x6c s ILE 97 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1x6c s ILE 97 CO 0.00 -0.13 0.01 -0.70 0.00 0.00 0.00 174.94 174.11 1x6c s GLU 98 N -1.83 3.64 0.97 2.79 2.12 -1.26 0.19 118.70 125.32 1x6c s GLU 98 Ca 0.03 -0.51 -0.15 0.00 0.36 0.00 0.00 54.97 54.69 1x6c s GLU 98 Cb -0.10 -3.10 0.19 0.00 0.26 0.00 0.00 34.13 31.38 1x6c s GLU 98 CO 0.03 0.02 1.24 -1.21 -0.54 0.00 0.00 175.26 174.79 1x6c s GLU 99 N 1.00 0.58 0.36 4.30 2.02 0.41 -4.97 118.70 122.41 1x6c s GLU 99 Ca 0.02 -0.16 0.22 0.00 0.02 0.00 0.00 54.97 55.07 1x6c s GLU 99 Cb -0.14 -1.82 0.23 0.00 0.10 0.00 0.00 34.13 32.50 1x6c s GLU 99 CO 0.02 -2.49 1.45 0.00 0.02 0.00 0.00 175.26 174.25 1x6c h ALA 100 N -1.70 0.85 0.00 5.21 0.00 -1.99 -3.13 119.26 118.49 1x6c h ALA 100 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1x6c h ALA 100 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x6c h ALA 100 CO 0.45 0.07 0.00 1.03 0.00 0.00 0.00 179.25 180.80 1x6c h SER 101 N 0.00 0.00 0.00 0.00 0.87 -2.04 -3.46 113.55 108.92 1x6c h SER 101 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x6c h SER 101 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x6c h SER 101 CO 0.01 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1x6c n GLY 102 N 0.45 2.58 3.79 5.77 0.00 -1.18 -5.08 105.19 111.51 1x6c n GLY 102 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.36 3.11 0.39 4.61 0.00 -1.26 -4.75 121.76 121.49 1x6c s ALA 103 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1x6c s ALA 103 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1x6c s ALA 103 CO 0.00 -0.05 0.58 -0.06 0.00 0.00 0.00 175.76 176.23 1x6c s PHE 104 N -1.72 3.29 0.20 0.00 0.40 -1.26 -0.44 117.98 118.44 1x6c s PHE 104 Ca 0.56 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 57.08 1x6c s PHE 104 Cb -0.19 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1x6c s PHE 104 CO 0.24 -0.12 0.01 0.08 0.70 0.00 0.00 175.22 176.13 1x6c s VAL 105 N -2.39 0.78 -0.03 -0.44 1.01 0.50 -4.87 120.40 114.96 1x6c s VAL 105 Ca 0.45 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 1x6c s VAL 105 Cb -0.10 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1x6c s VAL 105 CO 0.36 -0.40 0.36 -0.31 0.00 0.00 0.00 175.10 175.11 1x6c s TYR 106 N -3.59 -0.27 -0.65 5.22 2.02 -1.26 -0.96 117.35 117.86 1x6c s TYR 106 Ca 0.26 0.46 -0.15 0.00 -0.37 0.00 0.00 57.07 57.28 1x6c s TYR 106 Cb 0.06 0.14 0.17 0.00 -0.40 0.00 0.00 41.96 41.93 1x6c s TYR 106 CO 0.06 -0.40 0.60 -0.51 -1.57 0.00 0.00 175.55 173.73 1x6c s LEU 107 N -1.14 6.37 0.06 -1.29 1.02 -1.26 -4.51 118.68 117.94 1x6c s LEU 107 Ca -0.12 -2.18 0.01 0.00 0.02 0.00 0.00 54.13 51.86 1x6c s LEU 107 Cb -0.04 -2.19 -0.25 0.00 0.02 0.00 0.00 46.19 43.72 1x6c s LEU 107 CO 0.05 -0.73 1.07 0.03 0.02 0.00 0.00 176.35 176.79 1x6c h ARG 108 N 8.38 0.15 -1.75 1.70 3.08 -1.57 -3.45 114.38 120.92 1x6c h ARG 108 Ca -0.13 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.70 1x6c h ARG 108 Cb 1.07 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 31.00 1x6c h ARG 108 CO 0.91 1.05 0.41 1.14 -1.07 0.00 0.00 179.97 182.40 1x6c s GLN 109 N -2.66 0.78 0.62 0.04 -2.07 -1.14 -5.08 119.66 110.15 1x6c s GLN 109 Ca -0.04 0.18 -0.14 0.00 -1.82 0.00 0.00 55.36 53.54 1x6c s GLN 109 Cb 0.08 0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 1x6c s GLN 109 CO 0.85 -0.25 1.05 -1.25 -1.32 0.00 0.00 175.29 174.38 1x6c s PRO 110 N -1.19 3.26 0.25 9.60 0.04 -1.26 -2.08 135.00 143.62 1x6c s PRO 110 Ca -0.05 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 1x6c s PRO 110 Cb -0.00 -2.03 0.29 0.00 0.04 0.00 0.00 34.50 32.80 1x6c s PRO 110 CO 0.05 -0.85 1.90 -0.92 0.04 0.00 0.00 177.00 177.22 1x6c h TYR 111 N 0.12 1.17 -5.30 0.56 3.20 0.87 -3.44 116.97 114.15 1x6c h TYR 111 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1x6c h TYR 111 Cb 1.21 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1x6c h TYR 111 CO 0.60 0.69 -0.73 0.66 -1.64 0.00 0.00 178.16 177.74 1x6c n TYR 112 N -4.47 -2.27 -0.07 -3.82 4.01 -1.26 -4.96 117.16 104.32 1x6c n TYR 112 Ca 0.12 1.33 -0.22 0.00 -0.16 0.00 0.00 57.90 58.97 1x6c n TYR 112 Cb 0.07 -2.44 -0.12 0.00 -0.31 0.00 0.00 39.34 36.54 1x6c n TYR 112 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x6c n SER 113 N 2.09 2.01 0.00 7.72 2.88 -1.26 -5.08 113.62 121.98 1x6c n SER 113 Ca -0.16 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x6c n SER 113 Cb 0.25 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1x6c n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6c n GLY 114 N 1.79 4.13 3.77 0.46 0.00 -1.26 -5.13 105.19 108.95 1x6c n GLY 114 Ca -0.38 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.24 4.41 0.26 1.61 0.04 -1.26 -4.72 135.00 132.10 1x6c s PRO 115 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1x6c s PRO 115 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1x6c s PRO 115 CO 0.00 0.05 0.00 0.43 0.04 0.00 0.00 177.00 177.52 1x6c n SER 116 N 0.58 -8.37 0.02 6.66 7.64 -1.26 -5.04 113.62 113.85 1x6c n SER 116 Ca 0.02 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1x6c n SER 116 Cb 0.47 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1x6c n SER 116 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x6c n SER 117 N 1.08 -0.30 0.00 6.43 3.41 -1.26 -5.22 113.62 117.76 1x6c n SER 117 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1x6c n SER 117 Cb 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49