#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 -0.18 0.36 1.61 0.15 -1.26 -5.18 113.70 109.20 1x6c s SER 2 Ca 0.00 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.83 1x6c s SER 2 Cb 0.00 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1x6c s SER 2 CO 0.00 -0.24 0.14 -0.44 1.20 0.00 0.00 173.24 173.90 1x6c s SER 3 N -1.66 4.54 0.93 5.45 0.01 -1.26 -5.10 113.70 116.61 1x6c s SER 3 Ca 0.06 -0.88 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 1x6c s SER 3 Cb -0.01 -0.63 0.03 0.00 0.21 0.00 0.00 66.02 65.62 1x6c s SER 3 CO -0.04 -0.36 0.40 0.61 0.41 0.00 0.00 173.24 174.26 1x6c n GLY 4 N -1.15 -2.01 3.50 3.44 0.00 -1.26 -5.03 105.19 102.68 1x6c n GLY 4 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.28 1x6c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6c s SER 5 N -1.95 -0.35 -0.79 1.61 0.15 -1.26 -5.08 113.70 106.03 1x6c s SER 5 Ca 0.57 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.77 1x6c s SER 5 Cb -0.22 1.27 0.27 0.00 -1.71 0.00 0.00 66.02 65.62 1x6c s SER 5 CO 0.67 -0.08 0.98 -1.54 1.20 0.00 0.00 173.24 174.47 1x6c n SER 6 N 4.05 4.63 -3.32 5.45 3.41 -1.26 -4.90 113.62 121.68 1x6c n SER 6 Ca -0.14 -3.43 -0.27 0.00 -0.26 0.00 0.00 58.87 54.78 1x6c n SER 6 Cb 0.56 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.56 1x6c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 7 N 1.05 4.94 0.07 5.00 0.00 -1.26 -4.73 105.19 110.26 1x6c n GLY 7 Ca 0.28 -2.75 -0.07 0.00 0.00 0.00 0.00 46.02 43.48 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 0.64 0.00 -1.53 1.61 4.27 -1.26 -4.74 117.44 116.43 1x6c n TRP 8 Ca 0.30 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.50 1x6c n TRP 8 Cb 0.41 -0.69 -0.06 0.00 -1.36 0.00 0.00 31.31 29.61 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 -2.54 1.39 0.05 -2.67 9.36 -1.25 -3.42 117.16 118.08 1x6c n TYR 9 Ca -0.23 0.16 -0.14 0.00 3.32 0.00 0.00 57.90 61.00 1x6c n TYR 9 Cb 0.95 -2.59 -0.14 0.00 -0.63 0.00 0.00 39.34 36.94 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 16.40 0.32 0.00 2.98 3.86 -1.05 -3.49 115.15 134.17 1x6c h HIS 10 Ca -0.24 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1x6c h HIS 10 Cb 1.28 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1x6c h HIS 10 CO 0.98 1.26 0.00 0.41 0.86 0.00 0.00 177.93 181.44 1x6c n GLY 11 N 1.59 0.63 3.56 2.45 0.00 -1.25 -4.86 105.19 107.30 1x6c n GLY 11 Ca -0.13 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 1.75 0.17 1.61 5.65 -1.26 0.15 115.29 123.35 1x6c s HIS 12 Ca 0.00 0.72 0.07 0.00 0.25 0.00 0.00 55.06 56.11 1x6c s HIS 12 Cb 0.00 -4.02 -0.04 0.00 -1.18 0.00 0.00 32.58 27.34 1x6c s HIS 12 CO 0.00 -1.85 -0.01 1.41 -0.65 0.00 0.00 174.74 173.63 1x6c s MET 13 N 7.10 2.35 -0.24 2.88 0.00 -1.24 -4.93 119.30 125.23 1x6c s MET 13 Ca 0.71 -1.13 -0.11 0.00 0.00 0.00 0.00 55.69 55.15 1x6c s MET 13 Cb -0.08 -2.33 -0.05 0.00 0.00 0.00 0.00 34.83 32.37 1x6c s MET 13 CO 0.04 0.45 0.20 -1.12 0.00 0.00 0.00 175.02 174.59 1x6c s SER 14 N -2.92 6.16 0.08 1.11 0.01 -1.26 -4.63 113.70 112.24 1x6c s SER 14 Ca 0.27 0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 1x6c s SER 14 Cb -0.09 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1x6c s SER 14 CO 0.18 0.03 1.18 0.61 0.41 0.00 0.00 173.24 175.65 1x6c n GLY 15 N 4.30 -2.56 0.46 3.44 0.00 -1.26 0.18 105.19 109.75 1x6c n GLY 15 Ca -0.14 0.84 0.30 0.00 0.00 0.00 0.00 46.02 47.02 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 0.90 0.32 -0.02 0.00 -2.00 -1.33 103.07 100.95 1x6c h GLY 16 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1x6c h GLY 16 CO -0.48 -0.16 -0.16 -1.61 0.00 0.00 0.00 176.54 174.13 1x6c h GLN 17 N 0.21 -0.42 -0.90 4.80 4.15 0.16 -2.85 115.11 120.26 1x6c h GLN 17 Ca 0.66 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.23 1x6c h GLN 17 Cb 2.04 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 29.69 1x6c h GLN 17 CO -0.25 -0.28 -0.41 0.00 -1.93 0.00 0.00 178.83 175.97 1x6c n ALA 18 N -2.34 -0.26 -0.28 3.38 0.00 -0.08 0.17 120.51 121.10 1x6c n ALA 18 Ca -0.05 0.85 0.06 0.00 0.00 0.00 0.00 53.44 54.30 1x6c n ALA 18 Cb 0.17 -0.31 0.16 0.00 0.00 0.00 0.00 19.45 19.47 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 0.06 -0.17 0.00 5.08 -1.39 1.40 114.58 119.56 1x6c h GLU 19 Ca 0.26 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 1x6c h GLU 19 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1x6c h GLU 19 CO -0.87 0.04 -0.51 1.15 -1.00 0.00 0.00 179.01 177.82 1x6c h THR 20 N 0.06 1.32 0.40 1.13 2.02 0.20 -2.01 112.91 116.03 1x6c h THR 20 Ca 0.44 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 1x6c h THR 20 Cb 0.77 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1x6c h THR 20 CO -0.75 0.55 -0.31 -0.07 0.37 0.00 0.00 175.52 175.30 1x6c h LEU 21 N 0.32 -0.82 -1.14 2.58 4.07 0.43 1.11 115.31 121.87 1x6c h LEU 21 Ca -0.02 0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.13 1x6c h LEU 21 Cb 1.13 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 43.06 1x6c h LEU 21 CO 0.11 -0.47 0.60 -0.07 -1.08 0.00 0.00 178.44 177.53 1x6c h LEU 22 N -0.71 0.81 -0.57 1.67 3.38 0.17 0.85 115.31 120.91 1x6c h LEU 22 Ca -0.04 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1x6c h LEU 22 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1x6c h LEU 22 CO -0.01 0.44 -0.39 1.56 0.09 0.00 0.00 178.44 180.13 1x6c h GLN 23 N 0.88 0.71 -0.94 1.13 4.20 -0.54 -0.64 115.11 119.91 1x6c h GLN 23 Ca 0.46 -0.36 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1x6c h GLN 23 Cb 0.53 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1x6c h GLN 23 CO -0.22 0.98 0.60 0.00 -0.67 0.00 0.00 178.83 179.52 1x6c h ALA 24 N 0.98 1.60 0.11 3.87 0.00 0.37 -2.65 119.26 123.55 1x6c h ALA 24 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x6c h ALA 24 Cb 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x6c h ALA 24 CO 0.08 0.19 -0.05 -0.22 0.00 0.00 0.00 179.25 179.25 1x6c h LYS 25 N 0.93 -0.15 0.00 0.00 1.63 -1.14 -3.48 116.57 114.36 1x6c h LYS 25 Ca 0.45 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1x6c h LYS 25 Cb 0.45 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1x6c h LYS 25 CO -0.21 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 1x6c n GLY 26 N 1.13 1.64 3.67 5.01 0.00 -0.27 -5.00 105.19 111.38 1x6c n GLY 26 Ca -0.06 0.00 -0.47 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 2.33 -2.48 1.61 4.71 -1.26 -4.91 120.64 118.63 1x6c n GLU 27 Ca 0.00 0.85 -0.41 0.00 -0.01 0.00 0.00 57.16 57.59 1x6c n GLU 27 Cb 0.00 -2.76 -0.04 0.00 -1.01 0.00 0.00 31.44 27.64 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 4.31 4.55 -0.40 3.49 0.04 -1.26 -3.24 135.00 142.49 1x6c s PRO 28 Ca 0.92 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.68 1x6c s PRO 28 Cb -0.62 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1x6c s PRO 28 CO 0.49 -0.02 0.34 0.91 0.04 0.00 0.00 177.00 178.76 1x6c n TRP 29 N 2.76 -0.82 -3.72 0.56 5.03 0.21 -4.76 117.44 116.69 1x6c n TRP 29 Ca 0.04 0.30 -0.37 0.00 3.03 0.00 0.00 57.50 60.50 1x6c n TRP 29 Cb 0.46 -2.36 -0.12 0.00 -1.03 0.00 0.00 31.31 28.26 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 4.28 0.37 -0.99 2.01 -1.12 -0.35 115.64 116.75 1x6c s THR 30 Ca 0.14 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.77 1x6c s THR 30 Cb -0.06 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1x6c s THR 30 CO 0.22 0.16 0.32 0.72 -0.69 0.00 0.00 174.62 175.34 1x6c s PHE 31 N 1.57 2.80 -0.28 4.92 -0.71 -1.04 0.12 117.98 125.36 1x6c s PHE 31 Ca 0.04 -0.40 -0.21 0.00 -1.04 0.00 0.00 56.93 55.32 1x6c s PHE 31 Cb -0.16 -1.96 0.12 0.00 -1.21 0.00 0.00 43.02 39.81 1x6c s PHE 31 CO 0.04 0.06 0.94 -0.48 -1.34 0.00 0.00 175.22 174.44 1x6c s LEU 32 N -4.04 -0.56 -0.13 -1.99 0.05 -0.80 -0.59 118.68 110.62 1x6c s LEU 32 Ca 0.44 0.99 -0.12 0.00 0.05 0.00 0.00 54.13 55.50 1x6c s LEU 32 Cb -0.04 1.97 -0.05 0.00 -2.05 0.00 0.00 46.19 46.02 1x6c s LEU 32 CO 0.27 -0.17 0.25 -0.69 -0.55 0.00 0.00 176.35 175.47 1x6c s VAL 33 N 0.72 5.32 0.09 1.48 1.01 -1.22 -2.63 120.40 125.17 1x6c s VAL 33 Ca -0.02 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 1x6c s VAL 33 Cb -0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1x6c s VAL 33 CO -0.09 0.48 0.16 0.00 0.00 0.00 0.00 175.10 175.65 1x6c s ARG 34 N -0.17 0.83 0.02 2.72 1.70 -0.98 -0.35 118.95 122.71 1x6c s ARG 34 Ca 0.16 -1.01 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 1x6c s ARG 34 Cb -0.13 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1x6c s ARG 34 CO 0.05 -0.25 0.95 -1.21 -1.08 0.00 0.00 175.30 173.76 1x6c s GLU 35 N -3.87 4.58 0.27 3.89 2.02 0.39 -1.84 118.70 124.13 1x6c s GLU 35 Ca 0.06 1.38 -0.29 0.00 0.02 0.00 0.00 54.97 56.14 1x6c s GLU 35 Cb 0.05 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.75 1x6c s GLU 35 CO -0.10 0.01 1.17 0.45 0.02 0.00 0.00 175.26 176.81 1x6c s SER 36 N 0.78 7.11 -0.22 -0.19 0.15 -1.06 -3.67 113.70 116.61 1x6c s SER 36 Ca 0.50 2.36 -0.08 0.00 0.70 0.00 0.00 55.95 59.43 1x6c s SER 36 Cb -0.21 -2.63 -0.19 0.00 -1.71 0.00 0.00 66.02 61.28 1x6c s SER 36 CO 0.28 -0.29 -0.03 0.18 1.20 0.00 0.00 173.24 174.58 1x6c n LEU 37 N 1.39 2.47 0.00 3.45 4.77 -1.26 -4.08 117.00 123.75 1x6c n LEU 37 Ca 0.00 0.16 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1x6c n LEU 37 Cb 0.44 -0.96 0.44 0.00 -2.33 0.00 0.00 43.42 41.01 1x6c n LEU 37 CO 0.56 0.73 0.76 -0.24 -1.33 0.00 0.00 177.39 177.86 1x6c n SER 38 N -3.74 0.00 -3.50 -1.43 2.88 -1.26 -4.35 113.62 102.22 1x6c n SER 38 Ca -0.42 0.03 -0.21 0.00 -1.33 0.00 0.00 58.87 56.95 1x6c n SER 38 Cb 0.93 -0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.98 1x6c n SER 38 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x6c s GLN 39 N -2.56 0.20 -0.46 -1.46 -0.21 -1.26 -5.11 119.66 108.79 1x6c s GLN 39 Ca 0.17 0.01 -0.28 0.00 0.02 0.00 0.00 55.36 55.27 1x6c s GLN 39 Cb 0.12 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.94 1x6c s GLN 39 CO 0.27 -0.77 1.44 -1.25 -2.12 0.00 0.00 175.29 172.86 1x6c s PRO 40 N 2.28 3.44 0.00 2.91 0.04 -1.26 -2.96 135.00 139.45 1x6c s PRO 40 Ca 0.07 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1x6c s PRO 40 Cb -0.15 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1x6c s PRO 40 CO -0.18 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1x6c n GLY 41 N 5.18 3.09 3.70 0.56 0.00 -1.26 -5.08 105.19 111.37 1x6c n GLY 41 Ca 0.16 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.62 0.10 1.61 1.11 -1.16 -4.87 116.67 115.08 1x6c s ASP 42 Ca 0.00 0.53 -0.05 0.00 0.18 0.00 0.00 52.55 53.22 1x6c s ASP 42 Cb 0.00 -0.73 -0.02 0.00 1.07 0.00 0.00 42.92 43.24 1x6c s ASP 42 CO 0.00 -3.68 0.11 -0.36 1.18 0.00 0.00 175.17 172.42 1x6c s PHE 43 N -3.27 0.45 0.03 4.23 0.40 -1.25 -2.57 117.98 116.01 1x6c s PHE 43 Ca 0.72 -0.89 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1x6c s PHE 43 Cb -0.08 -0.24 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 1x6c s PHE 43 CO 0.55 -0.52 -0.23 0.08 0.70 0.00 0.00 175.22 175.80 1x6c s VAL 44 N -3.94 1.86 -0.47 -0.44 1.01 -0.77 -0.52 120.40 117.14 1x6c s VAL 44 Ca 0.12 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1x6c s VAL 44 Cb 0.06 -1.59 0.12 0.00 0.00 0.00 0.00 36.38 34.98 1x6c s VAL 44 CO -0.06 0.34 0.21 -0.22 0.00 0.00 0.00 175.10 175.37 1x6c s LEU 45 N -1.03 4.13 -0.29 3.92 2.96 -0.60 -2.32 118.68 125.45 1x6c s LEU 45 Ca 0.09 -2.75 -0.27 0.00 -0.22 0.00 0.00 54.13 50.98 1x6c s LEU 45 Cb -0.09 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1x6c s LEU 45 CO 0.01 -0.27 0.94 -0.44 -1.32 0.00 0.00 176.35 175.28 1x6c s SER 46 N 0.09 6.85 -0.09 3.68 0.01 -1.08 0.30 113.70 123.46 1x6c s SER 46 Ca 0.16 0.96 0.04 0.00 1.31 0.00 0.00 55.95 58.42 1x6c s SER 46 Cb -0.24 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1x6c s SER 46 CO -0.02 -0.72 -0.22 -0.69 0.41 0.00 0.00 173.24 172.00 1x6c s VAL 47 N 3.26 2.31 0.01 3.43 1.01 0.26 -1.91 120.40 128.76 1x6c s VAL 47 Ca 0.40 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 1x6c s VAL 47 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1x6c s VAL 47 CO 0.12 0.56 0.85 -0.22 0.00 0.00 0.00 175.10 176.41 1x6c s LEU 48 N 0.09 4.39 0.29 3.92 2.96 0.32 -0.96 118.68 129.70 1x6c s LEU 48 Ca -0.10 1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1x6c s LEU 48 Cb -0.16 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1x6c s LEU 48 CO 0.06 -0.13 0.50 -0.94 -1.32 0.00 0.00 176.35 174.52 1x6c s SER 49 N 0.57 6.36 -0.07 3.68 1.04 -0.98 0.64 113.70 124.94 1x6c s SER 49 Ca 0.44 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.44 1x6c s SER 49 Cb -0.20 -2.05 0.34 0.00 0.10 0.00 0.00 66.02 64.21 1x6c s SER 49 CO 0.24 -0.20 1.12 -0.90 0.98 0.00 0.00 173.24 174.48 1x6c n ASP 50 N -1.27 2.67 -4.27 7.02 5.75 -1.26 -4.50 116.55 120.69 1x6c n ASP 50 Ca -0.04 -2.28 -0.39 0.00 -0.01 0.00 0.00 54.79 52.08 1x6c n ASP 50 Cb 0.55 -0.46 -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 -1.71 2.58 0.99 0.11 -1.52 -1.26 -5.07 119.66 113.78 1x6c s GLN 51 Ca 0.24 -1.31 -0.15 0.00 -1.95 0.00 0.00 55.36 52.19 1x6c s GLN 51 Cb 0.16 -3.59 0.18 0.00 -0.22 0.00 0.00 33.01 29.55 1x6c s GLN 51 CO 0.10 -0.79 1.17 -1.25 -0.25 0.00 0.00 175.29 174.27 1x6c s PRO 52 N 1.40 0.51 -0.17 2.91 0.04 -1.26 -2.21 135.00 136.23 1x6c s PRO 52 Ca 0.01 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 60.95 1x6c s PRO 52 Cb -0.21 -1.79 -0.22 0.00 0.04 0.00 0.00 34.50 32.32 1x6c s PRO 52 CO 0.02 -2.58 0.29 0.87 0.04 0.00 0.00 177.00 175.64 1x6c h LYS 53 N -1.77 0.12 0.00 4.56 1.57 -1.81 -3.43 116.57 115.81 1x6c h LYS 53 Ca -0.48 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.06 1x6c h LYS 53 Cb 1.30 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1x6c h LYS 53 CO 0.51 1.10 -1.19 0.00 -0.57 0.00 0.00 179.45 179.30 1x6c n ALA 54 N -3.23 1.98 0.00 3.86 0.00 -1.26 -5.10 120.51 116.76 1x6c n ALA 54 Ca -0.32 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1x6c n ALA 54 Cb 0.84 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 2.68 0.34 3.61 0.00 0.00 -1.26 -4.97 105.19 105.59 1x6c n GLY 55 Ca -0.04 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 3.73 0.00 1.61 0.04 -1.26 -2.30 135.00 136.82 1x6c s PRO 56 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 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 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1x6c n GLY 57 N 4.74 0.93 3.56 0.56 0.00 -1.26 -5.10 105.19 108.63 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 -2.12 4.24 0.26 1.61 1.04 -0.97 -5.04 113.70 112.72 1x6c s SER 58 Ca 0.00 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 1x6c s SER 58 Cb 0.00 -0.72 -0.09 0.00 0.10 0.00 0.00 66.02 65.31 1x6c s SER 58 CO 0.00 0.12 1.09 -2.16 0.98 0.00 0.00 173.24 173.26 1x6c s PRO 59 N -2.72 4.65 -0.16 4.02 0.04 -1.26 -4.71 135.00 134.86 1x6c s PRO 59 Ca 0.24 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1x6c s PRO 59 Cb -0.09 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1x6c s PRO 59 CO 0.15 0.22 1.05 -0.51 0.04 0.00 0.00 177.00 177.95 1x6c s LEU 60 N -1.28 4.18 0.53 -3.56 1.43 -1.26 -2.94 118.68 115.79 1x6c s LEU 60 Ca 0.45 1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 54.87 1x6c s LEU 60 Cb -0.31 -3.55 -0.14 0.00 0.03 0.00 0.00 46.19 42.22 1x6c s LEU 60 CO 0.39 -0.57 -0.09 0.54 0.23 0.00 0.00 176.35 176.85 1x6c n ARG 61 N 5.67 0.05 -4.52 1.70 3.00 -0.94 -4.65 116.66 116.97 1x6c n ARG 61 Ca 0.11 0.02 -0.31 0.00 -0.01 0.00 0.00 57.85 57.66 1x6c n ARG 61 Cb 0.47 -1.07 -0.12 0.00 0.00 0.00 0.00 32.46 31.75 1x6c n ARG 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1x6c s VAL 62 N -1.98 3.10 -0.15 1.55 1.01 -1.26 -2.31 120.40 120.37 1x6c s VAL 62 Ca 0.57 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1x6c s VAL 62 Cb -0.48 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1x6c s VAL 62 CO 0.66 0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 175.06 1x6c s THR 63 N -1.00 1.42 -0.39 3.92 2.01 -0.14 -4.97 115.64 116.49 1x6c s THR 63 Ca 0.16 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1x6c s THR 63 Cb -0.11 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1x6c s THR 63 CO 0.07 0.39 0.28 -1.00 -0.69 0.00 0.00 174.62 173.68 1x6c s HIS 64 N 1.54 3.24 -0.80 4.92 3.76 -1.26 0.90 115.29 127.58 1x6c s HIS 64 Ca 0.04 -0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 54.21 1x6c s HIS 64 Cb -0.13 -2.55 0.16 0.00 1.11 0.00 0.00 32.58 31.17 1x6c s HIS 64 CO -0.10 -0.56 0.87 0.42 -0.85 0.00 0.00 174.74 174.52 1x6c s ILE 65 N 1.67 5.12 0.62 0.60 1.09 0.15 -4.85 121.20 125.60 1x6c s ILE 65 Ca 0.05 -1.80 -0.18 0.00 -1.10 0.00 0.00 60.65 57.62 1x6c s ILE 65 Cb -0.19 -4.58 -0.04 0.00 -1.06 0.00 0.00 42.46 36.60 1x6c s ILE 65 CO 0.10 -1.21 0.96 0.29 -0.10 0.00 0.00 174.94 174.97 1x6c n LYS 66 N 5.43 0.83 -5.16 2.79 5.02 -1.26 -1.56 118.16 124.25 1x6c n LYS 66 Ca 0.11 0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 1x6c n LYS 66 Cb 0.46 -2.17 -0.17 0.00 -0.02 0.00 0.00 35.03 33.13 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 -1.55 1.92 -0.37 -0.18 1.01 0.32 -4.54 120.40 117.01 1x6c s VAL 67 Ca 0.76 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1x6c s VAL 67 Cb -0.40 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1x6c s VAL 67 CO 0.47 0.53 0.23 -0.04 0.00 0.00 0.00 175.10 176.29 1x6c s MET 68 N 0.03 3.04 -0.77 2.72 -1.94 0.21 -3.74 119.30 118.83 1x6c s MET 68 Ca -0.08 -0.95 -0.17 0.00 -1.71 0.00 0.00 55.69 52.78 1x6c s MET 68 Cb -0.15 -3.79 0.16 0.00 2.01 0.00 0.00 34.83 33.07 1x6c s MET 68 CO 0.05 -0.64 0.83 0.00 -0.01 0.00 0.00 175.02 175.25 1x6c s GLU 70 N 1.59 2.69 -1.47 0.00 0.41 0.54 -4.70 118.70 117.76 1x6c s GLU 70 Ca 0.19 -0.75 -0.11 0.00 -0.41 0.00 0.00 54.97 53.89 1x6c s GLU 70 Cb -0.14 -2.09 0.07 0.00 -1.78 0.00 0.00 34.13 30.20 1x6c s GLU 70 CO -0.04 0.11 0.80 0.41 -0.49 0.00 0.00 175.26 176.04 1x6c n GLY 71 N 3.69 -0.50 2.40 -1.39 0.00 -1.26 0.48 105.19 108.60 1x6c n GLY 71 Ca -0.20 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.53 1.28 3.21 -0.02 0.00 -1.26 -4.98 105.19 101.88 1x6c n GLY 72 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.38 2.89 -0.09 1.61 1.81 0.18 -4.61 118.95 117.35 1x6c s ARG 73 Ca 0.00 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.04 1x6c s ARG 73 Cb 0.00 -2.22 -0.05 0.00 -0.45 0.00 0.00 34.95 32.23 1x6c s ARG 73 CO 0.00 0.20 0.26 0.71 -0.68 0.00 0.00 175.30 175.79 1x6c s TYR 74 N 0.29 3.60 -0.02 -0.53 2.02 0.32 -0.34 117.35 122.70 1x6c s TYR 74 Ca -0.17 0.69 -0.23 0.00 -0.37 0.00 0.00 57.07 56.99 1x6c s TYR 74 Cb -0.17 -2.16 0.05 0.00 -0.40 0.00 0.00 41.96 39.28 1x6c s TYR 74 CO 0.08 0.57 0.51 -0.08 -1.57 0.00 0.00 175.55 175.06 1x6c s THR 75 N -0.62 0.03 -2.20 -0.71 -1.32 -0.62 -1.32 115.64 108.88 1x6c s THR 75 Ca 0.18 -0.23 0.19 0.00 -1.21 0.00 0.00 61.69 60.62 1x6c s THR 75 Cb -0.14 -0.86 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1x6c s THR 75 CO 0.07 -0.12 1.43 1.33 -2.21 0.00 0.00 174.62 175.12 1x6c n VAL 76 N 0.92 0.52 0.00 5.08 0.24 -1.26 0.64 118.33 124.47 1x6c n VAL 76 Ca -0.20 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1x6c n VAL 76 Cb 0.57 0.52 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 1.33 1.50 3.87 7.63 0.00 -1.26 -4.95 105.19 113.32 1x6c n GLY 77 Ca 0.18 0.00 -0.26 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 2.41 0.02 -0.02 0.00 -1.26 -5.05 107.32 101.41 1x6c s GLY 78 Ca 0.00 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 1x6c s GLY 78 CO 0.00 -1.94 1.34 -2.00 0.00 0.00 0.00 173.10 170.49 1x6c h LEU 79 N 0.89 -0.26 -9.53 0.66 5.85 -2.00 -3.44 115.31 107.48 1x6c h LEU 79 Ca -0.38 -0.20 -0.59 0.00 0.84 0.00 0.00 57.88 57.55 1x6c h LEU 79 Cb 1.30 0.07 0.13 0.00 0.37 0.00 0.00 40.66 42.52 1x6c h LEU 79 CO 0.60 0.07 0.01 -0.62 -0.34 0.00 0.00 178.44 178.16 1x6c n GLU 80 N -5.09 1.13 -3.10 1.25 1.02 -1.26 -4.99 120.64 109.59 1x6c n GLU 80 Ca -0.09 0.40 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1x6c n GLU 80 Cb 0.23 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.47 0.00 -3.62 2.62 -2.24 -1.26 -4.67 114.28 104.63 1x6c n THR 81 Ca 0.10 -1.11 -0.15 0.00 -2.27 0.00 0.00 64.05 60.62 1x6c n THR 81 Cb 0.38 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.34 -0.64 0.09 4.78 0.08 -0.43 -4.90 117.98 114.61 1x6c s PHE 82 Ca 0.12 1.40 0.04 0.00 0.12 0.00 0.00 56.93 58.61 1x6c s PHE 82 Cb 0.01 0.28 -0.23 0.00 -0.57 0.00 0.00 43.02 42.50 1x6c s PHE 82 CO 0.08 -0.43 1.18 0.38 -0.10 0.00 0.00 175.22 176.33 1x6c h ASP 83 N 4.33 0.13 -4.27 1.36 2.03 -1.89 0.92 116.42 119.02 1x6c h ASP 83 Ca -0.28 -0.15 -0.28 0.00 -0.73 0.00 0.00 57.03 55.59 1x6c h ASP 83 Cb 1.16 -0.04 -0.15 0.00 -0.83 0.00 0.00 39.33 39.47 1x6c h ASP 83 CO 0.22 1.12 -0.71 -0.55 -1.03 0.00 0.00 179.24 178.29 1x6c s SER 84 N -6.80 1.48 0.51 4.15 0.15 -1.26 -4.86 113.70 107.07 1x6c s SER 84 Ca -0.01 -1.01 0.25 0.00 0.70 0.00 0.00 55.95 55.88 1x6c s SER 84 Cb 0.09 0.04 1.39 0.00 -1.71 0.00 0.00 66.02 65.83 1x6c s SER 84 CO 0.84 -0.39 2.07 -0.07 1.20 0.00 0.00 173.24 176.89 1x6c h LEU 85 N 2.88 0.00 0.09 3.45 -0.00 -1.99 -2.54 115.31 117.20 1x6c h LEU 85 Ca -0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 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 0.64 0.12 -0.04 0.74 -0.00 0.00 0.00 178.44 179.90 1x6c h THR 86 N 0.00 1.07 0.00 0.22 2.02 -1.98 0.67 112.91 114.90 1x6c h THR 86 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1x6c h THR 86 Cb 0.30 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1x6c h THR 86 CO 0.02 0.14 0.00 0.47 0.37 0.00 0.00 175.52 176.52 1x6c n ASP 87 N -5.02 0.33 -0.11 4.18 9.92 -0.99 0.39 116.55 125.25 1x6c n ASP 87 Ca -0.08 0.61 -0.22 0.00 -0.53 0.00 0.00 54.79 54.57 1x6c n ASP 87 Cb 0.18 -0.67 -0.10 0.00 -0.64 0.00 0.00 41.12 39.89 1x6c n ASP 87 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1x6c n LEU 88 N -1.90 1.87 0.10 0.64 0.00 -0.77 -3.38 117.00 113.57 1x6c n LEU 88 Ca 0.01 0.42 -0.13 0.00 0.00 0.00 0.00 56.01 56.31 1x6c n LEU 88 Cb 0.11 -0.93 -0.08 0.00 0.00 0.00 0.00 43.42 42.51 1x6c n LEU 88 CO 0.11 0.25 0.67 0.58 0.00 0.00 0.00 177.39 179.00 1x6c h VAL 89 N -1.00 0.92 0.00 1.96 2.07 0.76 -0.42 116.25 120.54 1x6c h VAL 89 Ca -0.38 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1x6c h VAL 89 Cb 1.29 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1x6c h VAL 89 CO -0.23 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 176.86 1x6c n GLU 90 N -5.08 0.09 -0.09 1.57 1.02 0.16 0.15 120.64 118.46 1x6c n GLU 90 Ca -0.09 0.56 -0.17 0.00 -0.02 0.00 0.00 57.16 57.43 1x6c n GLU 90 Cb 0.20 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 29.73 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 -1.37 -3.35 115.15 112.87 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 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1x6c h HIS 91 CO 0.00 1.18 -0.12 1.19 -1.30 0.00 0.00 177.93 178.87 1x6c n PHE 92 N -4.52 0.00 0.43 5.26 3.72 -0.24 -3.26 117.46 118.85 1x6c n PHE 92 Ca -0.22 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1x6c n PHE 92 Cb 0.56 -0.26 0.25 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.17 0.05 0.04 -1.08 5.02 0.39 -1.35 118.16 120.06 1x6c n LYS 93 Ca 0.12 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1x6c n LYS 93 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.44 0.00 -0.09 1.97 2.85 -1.21 -4.56 118.16 115.68 1x6c n LYS 94 Ca 0.04 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.23 1x6c n LYS 94 Cb 0.12 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 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 0.00 0.44 0.00 0.58 1.35 -1.64 -3.49 112.91 110.15 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 0.00 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 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 -1.36 0.83 3.44 5.82 0.00 -0.46 -5.03 105.19 108.43 1x6c n GLY 96 Ca 0.01 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.44 2.44 -0.19 -0.61 1.01 0.13 -4.89 121.20 117.65 1x6c s ILE 97 Ca 0.00 -2.03 -0.00 0.00 0.00 0.00 0.00 60.65 58.62 1x6c s ILE 97 Cb 0.00 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1x6c s ILE 97 CO 0.00 -0.14 -0.15 -0.70 0.00 0.00 0.00 174.94 173.95 1x6c s GLU 98 N -2.76 3.12 0.58 2.79 2.12 -1.26 0.18 118.70 123.47 1x6c s GLU 98 Ca 0.22 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 1x6c s GLU 98 Cb -0.08 -2.68 0.14 0.00 0.26 0.00 0.00 34.13 31.77 1x6c s GLU 98 CO 0.11 -0.17 0.56 0.39 -0.54 0.00 0.00 175.26 175.60 1x6c n GLU 99 N 4.58 -1.79 0.03 4.30 1.02 0.46 -4.97 120.64 124.27 1x6c n GLU 99 Ca -0.20 -0.89 0.11 0.00 -0.02 0.00 0.00 57.16 56.16 1x6c n GLU 99 Cb 0.50 -0.78 -0.08 0.00 -0.02 0.00 0.00 31.44 31.07 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 -3.82 3.01 1.62 0.62 0.00 -1.26 -3.87 120.51 116.81 1x6c n ALA 100 Ca -0.10 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.05 1x6c n ALA 100 Cb 0.29 -0.89 0.79 0.00 0.00 0.00 0.00 19.45 19.64 1x6c n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x6c n SER 101 N -2.24 0.00 0.00 0.00 3.41 -1.26 -4.83 113.62 108.70 1x6c n SER 101 Ca -0.01 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1x6c n SER 101 Cb 0.52 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.82 0.72 3.72 5.00 0.00 -1.25 -5.07 105.19 109.14 1x6c n GLY 102 Ca 0.19 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.37 0.05 4.61 0.00 -1.26 -4.93 121.76 121.60 1x6c s ALA 103 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.71 1x6c s ALA 103 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1x6c s ALA 103 CO 0.00 0.50 -0.03 -0.06 0.00 0.00 0.00 175.76 176.17 1x6c s PHE 104 N -1.73 2.95 0.24 0.00 0.40 -1.26 0.18 117.98 118.75 1x6c s PHE 104 Ca 0.29 -0.03 0.10 0.00 -0.60 0.00 0.00 56.93 56.69 1x6c s PHE 104 Cb -0.10 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1x6c s PHE 104 CO 0.21 0.44 -0.18 0.08 0.70 0.00 0.00 175.22 176.47 1x6c s VAL 105 N -1.18 2.17 0.01 -0.44 1.01 0.49 -4.90 120.40 117.56 1x6c s VAL 105 Ca 0.22 -2.28 -0.04 0.00 0.00 0.00 0.00 61.98 59.87 1x6c s VAL 105 Cb -0.11 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1x6c s VAL 105 CO 0.13 -0.44 0.07 -0.31 0.00 0.00 0.00 175.10 174.55 1x6c s TYR 106 N -2.58 0.14 -0.70 5.22 2.02 -1.26 0.22 117.35 120.41 1x6c s TYR 106 Ca 0.26 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 1x6c s TYR 106 Cb -0.04 -0.11 0.18 0.00 -0.40 0.00 0.00 41.96 41.59 1x6c s TYR 106 CO 0.11 -0.26 0.65 -0.51 -1.57 0.00 0.00 175.55 173.97 1x6c s LEU 107 N -1.49 6.49 -0.08 -1.29 1.02 -1.26 -4.49 118.68 117.58 1x6c s LEU 107 Ca -0.14 -2.27 -0.12 0.00 0.02 0.00 0.00 54.13 51.61 1x6c s LEU 107 Cb -0.08 -2.21 -0.09 0.00 0.02 0.00 0.00 46.19 43.83 1x6c s LEU 107 CO 0.00 -0.71 0.44 0.03 0.02 0.00 0.00 176.35 176.14 1x6c h ARG 108 N 8.29 -0.18 -3.75 1.70 3.08 -0.99 -3.45 114.38 119.08 1x6c h ARG 108 Ca -0.08 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 1x6c h ARG 108 Cb 1.07 0.04 -0.25 0.00 0.08 0.00 0.00 29.97 30.91 1x6c h ARG 108 CO 0.89 0.08 -0.68 1.14 -1.07 0.00 0.00 179.97 180.32 1x6c s GLN 109 N -2.50 0.14 0.88 0.04 -2.07 -1.08 -5.06 119.66 110.01 1x6c s GLN 109 Ca -0.07 -0.18 -0.12 0.00 -1.82 0.00 0.00 55.36 53.17 1x6c s GLN 109 Cb -0.00 0.05 0.12 0.00 -1.09 0.00 0.00 33.01 32.09 1x6c s GLN 109 CO 0.25 -0.02 1.13 -1.25 -1.32 0.00 0.00 175.29 174.07 1x6c s PRO 110 N -0.50 1.43 -0.16 9.60 0.04 -1.26 -2.49 135.00 141.66 1x6c s PRO 110 Ca -0.06 0.39 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 1x6c s PRO 110 Cb -0.03 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1x6c s PRO 110 CO -0.00 -2.02 0.25 -0.47 0.04 0.00 0.00 177.00 174.80 1x6c s TYR 111 N -3.24 3.46 -0.24 0.56 5.04 0.24 -4.78 117.35 118.39 1x6c s TYR 111 Ca 0.63 0.54 -0.02 0.00 -2.44 0.00 0.00 57.07 55.78 1x6c s TYR 111 Cb -0.15 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.90 1x6c s TYR 111 CO 0.54 0.28 -0.07 0.71 -1.34 0.00 0.00 175.55 175.67 1x6c s TYR 112 N 0.35 3.02 -0.10 4.97 1.51 -1.26 -4.62 117.35 121.21 1x6c s TYR 112 Ca 0.15 -1.43 -0.12 0.00 -1.01 0.00 0.00 57.07 54.65 1x6c s TYR 112 Cb -0.13 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 1x6c s TYR 112 CO 0.03 -0.70 0.28 0.45 -1.11 0.00 0.00 175.55 174.50 1x6c s SER 113 N 1.36 6.53 -0.39 2.29 0.15 -1.26 -5.00 113.70 117.37 1x6c s SER 113 Ca 0.02 0.62 0.01 0.00 0.70 0.00 0.00 55.95 57.30 1x6c s SER 113 Cb -0.16 -2.17 0.26 0.00 -1.71 0.00 0.00 66.02 62.25 1x6c s SER 113 CO -0.05 0.25 1.12 0.61 1.20 0.00 0.00 173.24 176.37 1x6c n GLY 114 N 2.56 -1.07 0.07 9.45 0.00 -1.26 -5.03 105.19 109.91 1x6c n GLY 114 Ca -0.15 0.68 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1x6c n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6c h PRO 115 N 3.42 0.03 -5.99 1.61 0.13 -2.08 -3.43 132.00 125.69 1x6c h PRO 115 Ca -0.20 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.30 1x6c h PRO 115 Cb 1.14 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x6c h PRO 115 CO 0.01 0.77 1.49 0.45 -0.23 0.00 0.00 178.00 180.48 1x6c n SER 116 N -4.70 3.12 -3.97 1.44 2.88 -1.26 -4.93 113.62 106.19 1x6c n SER 116 Ca -0.09 0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.52 1x6c n SER 116 Cb 0.38 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.18 1x6c n SER 116 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6c s SER 117 N 8.20 0.68 0.00 -3.46 1.04 -1.26 -5.26 113.70 113.64 1x6c s SER 117 Ca 1.02 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1x6c s SER 117 Cb -0.40 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1x6c s SER 117 CO 0.37 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.25