#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6c n SER 2 N 0.00 -3.07 -3.42 1.61 7.64 -1.26 -5.05 113.62 110.07 1x6c n SER 2 Ca 0.00 0.93 -0.23 0.00 1.01 0.00 0.00 58.87 60.58 1x6c n SER 2 Cb 0.00 -3.87 -0.10 0.00 -1.01 0.00 0.00 64.21 59.22 1x6c n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6c s SER 3 N -0.72 2.14 0.00 6.43 0.01 -1.26 -5.02 113.70 115.28 1x6c s SER 3 Ca -0.11 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.39 1x6c s SER 3 Cb 0.01 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x6c s SER 3 CO 0.53 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1x6c n GLY 4 N 4.31 -1.60 0.47 3.44 0.00 -1.26 -5.07 105.19 105.48 1x6c n GLY 4 Ca 0.09 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.73 -1.81 1.61 7.64 -1.26 -5.16 113.62 113.91 1x6c n SER 5 Ca 0.00 0.45 -0.05 0.00 1.01 0.00 0.00 58.87 60.28 1x6c n SER 5 Cb 0.00 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.86 -0.88 -2.82 6.43 7.64 -1.26 -5.11 113.62 114.76 1x6c n SER 6 Ca 0.00 -1.74 -0.11 0.00 1.01 0.00 0.00 58.87 58.03 1x6c n SER 6 Cb 0.00 1.50 0.04 0.00 -1.01 0.00 0.00 64.21 64.73 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 -0.24 0.57 0.00 0.23 0.00 -1.26 -4.93 105.19 99.57 1x6c n GLY 7 Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 1.41 0.00 -1.86 1.61 4.27 -1.26 -4.89 117.44 116.71 1x6c n TRP 8 Ca 0.11 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.34 1x6c n TRP 8 Cb 0.63 -0.11 -0.03 0.00 -1.36 0.00 0.00 31.31 30.44 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 -2.65 1.45 0.21 -2.67 5.04 -1.25 -2.63 117.35 114.85 1x6c s TYR 9 Ca 0.02 1.05 0.13 0.00 -2.44 0.00 0.00 57.07 55.84 1x6c s TYR 9 Cb 0.11 -3.91 0.41 0.00 0.35 0.00 0.00 41.96 38.93 1x6c s TYR 9 CO 0.65 -2.44 1.62 0.45 -1.34 0.00 0.00 175.55 174.49 1x6c h HIS 10 N 16.52 0.00 0.00 4.97 3.86 -0.95 -3.49 115.15 136.06 1x6c h HIS 10 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1x6c h HIS 10 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1x6c h HIS 10 CO 1.01 0.56 0.00 0.41 0.86 0.00 0.00 177.93 180.77 1x6c n GLY 11 N 0.36 0.69 3.56 2.45 0.00 -1.25 -4.80 105.19 106.20 1x6c n GLY 11 Ca -0.01 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 2.74 -0.08 1.61 3.76 -1.26 0.17 115.29 122.24 1x6c s HIS 12 Ca 0.00 -1.34 -0.01 0.00 -0.15 0.00 0.00 55.06 53.57 1x6c s HIS 12 Cb 0.00 -4.68 -0.03 0.00 1.11 0.00 0.00 32.58 28.98 1x6c s HIS 12 CO 0.00 -1.82 -0.03 1.41 -0.85 0.00 0.00 174.74 173.45 1x6c s MET 13 N 4.28 2.92 -0.04 1.40 0.00 -1.26 -4.93 119.30 121.68 1x6c s MET 13 Ca 0.49 -0.48 -0.27 0.00 0.00 0.00 0.00 55.69 55.43 1x6c s MET 13 Cb 0.02 -2.71 -0.03 0.00 0.00 0.00 0.00 34.83 32.11 1x6c s MET 13 CO -0.01 0.66 0.88 -1.54 0.00 0.00 0.00 175.02 175.01 1x6c s SER 14 N -0.77 7.21 0.09 1.11 1.04 -1.26 -4.59 113.70 116.54 1x6c s SER 14 Ca 0.12 1.47 -0.18 0.00 0.48 0.00 0.00 55.95 57.84 1x6c s SER 14 Cb -0.11 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1x6c s SER 14 CO 0.02 -0.23 1.27 0.61 0.98 0.00 0.00 173.24 175.89 1x6c n GLY 15 N 3.01 -2.70 0.46 7.32 0.00 -1.26 0.15 105.19 112.17 1x6c n GLY 15 Ca 0.04 0.91 0.32 0.00 0.00 0.00 0.00 46.02 47.29 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 1.06 0.50 -0.02 0.00 -2.00 -0.49 103.07 102.13 1x6c h GLY 16 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1x6c h GLY 16 CO -0.54 -0.24 -0.24 -1.61 0.00 0.00 0.00 176.54 173.90 1x6c h GLN 17 N 0.18 -0.65 -0.91 4.80 4.15 0.10 -2.78 115.11 120.00 1x6c h GLN 17 Ca 0.72 0.04 0.20 0.00 0.77 0.00 0.00 58.65 60.38 1x6c h GLN 17 Cb 2.21 0.15 -0.17 0.00 0.21 0.00 0.00 27.48 29.88 1x6c h GLN 17 CO -0.31 -0.44 -0.17 0.00 -1.93 0.00 0.00 178.83 175.98 1x6c n ALA 18 N -2.49 0.27 -0.08 3.38 0.00 -0.25 0.14 120.51 121.48 1x6c n ALA 18 Ca -0.08 1.00 -0.08 0.00 0.00 0.00 0.00 53.44 54.28 1x6c n ALA 18 Cb 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.22 -0.59 0.00 5.08 -1.35 1.28 114.58 118.78 1x6c h GLU 19 Ca 0.46 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1x6c h GLU 19 Cb 0.77 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1x6c h GLU 19 CO -0.92 -0.15 -0.05 1.15 -1.00 0.00 0.00 179.01 178.04 1x6c h THR 20 N -0.23 1.27 0.68 1.13 2.02 0.14 -0.95 112.91 116.97 1x6c h THR 20 Ca 0.16 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 1x6c h THR 20 Cb 0.47 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1x6c h THR 20 CO -0.44 0.43 -0.33 -0.07 0.37 0.00 0.00 175.52 175.49 1x6c h LEU 21 N 0.96 -0.77 -1.05 2.58 4.07 0.21 1.22 115.31 122.53 1x6c h LEU 21 Ca 0.16 0.03 0.24 0.00 0.08 0.00 0.00 57.88 58.39 1x6c h LEU 21 Cb 0.61 0.20 -0.12 0.00 1.08 0.00 0.00 40.66 42.44 1x6c h LEU 21 CO 0.04 -0.54 0.61 -0.07 -1.08 0.00 0.00 178.44 177.40 1x6c h LEU 22 N -0.94 0.67 -0.24 1.67 3.38 0.15 0.27 115.31 120.28 1x6c h LEU 22 Ca -0.09 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1x6c h LEU 22 Cb 0.70 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1x6c h LEU 22 CO 0.15 0.13 -0.15 1.56 0.09 0.00 0.00 178.44 180.23 1x6c h GLN 23 N 0.59 0.52 -1.03 1.13 4.20 -0.82 -0.38 115.11 119.33 1x6c h GLN 23 Ca 0.63 -0.24 0.27 0.00 0.06 0.00 0.00 58.65 59.36 1x6c h GLN 23 Cb 1.21 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.86 1x6c h GLN 23 CO -0.44 0.80 0.63 0.00 -0.67 0.00 0.00 178.83 179.16 1x6c h ALA 24 N 0.71 2.00 0.08 3.87 0.00 0.51 -1.23 119.26 125.21 1x6c h ALA 24 Ca 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x6c h ALA 24 Cb 0.66 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x6c h ALA 24 CO 0.04 -0.47 -0.04 -0.22 0.00 0.00 0.00 179.25 178.56 1x6c h LYS 25 N 0.47 -0.11 0.00 0.00 1.63 -1.13 -3.48 116.57 113.96 1x6c h LYS 25 Ca 0.64 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.45 1x6c h LYS 25 Cb 1.42 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1x6c h LYS 25 CO -0.42 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.24 1x6c n GLY 26 N 1.30 3.01 3.61 5.01 0.00 -0.17 -5.00 105.19 112.95 1x6c n GLY 26 Ca -0.05 0.00 -0.56 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 -2.00 1.03 -2.49 1.61 4.71 -1.26 -4.88 120.64 117.36 1x6c n GLU 27 Ca 0.00 0.35 -0.41 0.00 -0.01 0.00 0.00 57.16 57.09 1x6c n GLU 27 Cb 0.00 -2.14 -0.04 0.00 -1.01 0.00 0.00 31.44 28.25 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 4.45 4.59 -0.49 3.49 0.04 -1.26 -3.34 135.00 142.47 1x6c s PRO 28 Ca 1.03 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 1x6c s PRO 28 Cb -1.06 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x6c s PRO 28 CO 0.62 0.07 0.42 0.91 0.04 0.00 0.00 177.00 179.06 1x6c n TRP 29 N 2.22 -0.99 -3.83 0.56 5.03 0.49 -4.77 117.44 116.15 1x6c n TRP 29 Ca 0.02 0.37 -0.36 0.00 3.03 0.00 0.00 57.50 60.57 1x6c n TRP 29 Cb 0.46 -2.80 -0.13 0.00 -1.03 0.00 0.00 31.31 27.81 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 -3.13 3.69 0.39 -0.99 2.01 -1.03 0.16 115.64 116.74 1x6c s THR 30 Ca 0.13 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.62 1x6c s THR 30 Cb -0.06 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1x6c s THR 30 CO 0.28 0.25 0.33 0.72 -0.69 0.00 0.00 174.62 175.50 1x6c s PHE 31 N 1.49 2.76 -0.17 4.92 -0.71 -1.08 0.10 117.98 125.30 1x6c s PHE 31 Ca 0.04 -0.43 -0.29 0.00 -1.04 0.00 0.00 56.93 55.21 1x6c s PHE 31 Cb -0.16 -2.02 0.11 0.00 -1.21 0.00 0.00 43.02 39.75 1x6c s PHE 31 CO -0.00 0.01 0.94 -0.48 -1.34 0.00 0.00 175.22 174.35 1x6c s LEU 32 N -4.06 -0.45 -0.13 -1.99 0.05 -0.91 -0.74 118.68 110.44 1x6c s LEU 32 Ca 0.45 0.58 -0.05 0.00 0.05 0.00 0.00 54.13 55.16 1x6c s LEU 32 Cb -0.04 2.01 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1x6c s LEU 32 CO 0.27 -0.35 0.06 -0.69 -0.55 0.00 0.00 176.35 175.08 1x6c s VAL 33 N -0.82 4.76 0.17 1.48 1.01 -1.08 -2.85 120.40 123.07 1x6c s VAL 33 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1x6c s VAL 33 Cb -0.01 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1x6c s VAL 33 CO 0.02 0.55 0.25 0.00 0.00 0.00 0.00 175.10 175.92 1x6c s ARG 34 N -0.38 1.15 0.20 2.72 1.70 -0.87 -0.23 118.95 123.24 1x6c s ARG 34 Ca 0.09 -1.24 -0.15 0.00 -0.47 0.00 0.00 55.73 53.96 1x6c s ARG 34 Cb -0.12 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.54 1x6c s ARG 34 CO 0.02 -0.41 0.62 -1.21 -1.08 0.00 0.00 175.30 173.23 1x6c s GLU 35 N -3.99 4.03 -0.11 3.89 2.02 0.46 -1.24 118.70 123.76 1x6c s GLU 35 Ca 0.20 0.59 -0.24 0.00 0.02 0.00 0.00 54.97 55.54 1x6c s GLU 35 Cb 0.04 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1x6c s GLU 35 CO 0.01 0.40 0.73 -1.12 0.02 0.00 0.00 175.26 175.30 1x6c s SER 36 N -1.84 6.94 -0.11 -0.19 0.01 -0.62 -3.99 113.70 113.89 1x6c s SER 36 Ca 0.42 1.14 -0.24 0.00 1.31 0.00 0.00 55.95 58.58 1x6c s SER 36 Cb -0.14 -2.42 -0.27 0.00 0.21 0.00 0.00 66.02 63.40 1x6c s SER 36 CO 0.20 -0.22 0.71 -0.07 0.41 0.00 0.00 173.24 174.26 1x6c h LEU 37 N 7.40 0.20 -1.47 2.44 3.38 -1.90 -3.26 115.31 122.10 1x6c h LEU 37 Ca -0.36 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.70 1x6c h LEU 37 Cb 1.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x6c h LEU 37 CO 0.78 1.27 0.00 0.28 0.09 0.00 0.00 178.44 180.86 1x6c h SER 38 N -0.71 0.00 -3.03 -0.43 0.02 -1.98 -3.37 113.55 104.05 1x6c h SER 38 Ca -0.13 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.32 1x6c h SER 38 Cb 1.35 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.48 1x6c h SER 38 CO 0.03 0.00 -0.76 -1.10 -1.14 0.00 0.00 176.83 173.86 1x6c s GLN 39 N -3.61 0.27 -0.45 3.45 -1.52 -1.23 -5.10 119.66 111.47 1x6c s GLN 39 Ca 0.00 -0.36 -0.28 0.00 -1.95 0.00 0.00 55.36 52.77 1x6c s GLN 39 Cb 0.09 -1.71 0.01 0.00 -0.22 0.00 0.00 33.01 31.18 1x6c s GLN 39 CO 0.39 -0.79 1.43 -1.25 -0.25 0.00 0.00 175.29 174.82 1x6c s PRO 40 N 2.03 3.48 0.00 2.91 0.04 -1.25 -2.85 135.00 139.36 1x6c s PRO 40 Ca 0.04 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1x6c s PRO 40 Cb -0.16 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1x6c s PRO 40 CO -0.18 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.59 1x6c n GLY 41 N 5.15 2.64 3.82 0.56 0.00 -1.26 -5.10 105.19 111.00 1x6c n GLY 41 Ca 0.16 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.22 3.91 0.08 1.61 1.11 -1.13 -4.89 116.67 117.14 1x6c s ASP 42 Ca 0.00 0.96 0.02 0.00 0.18 0.00 0.00 52.55 53.71 1x6c s ASP 42 Cb 0.00 -1.54 -0.04 0.00 1.07 0.00 0.00 42.92 42.41 1x6c s ASP 42 CO 0.00 -2.30 -0.07 -0.36 1.18 0.00 0.00 175.17 173.62 1x6c s PHE 43 N -3.34 0.81 0.04 4.23 0.08 -1.21 -1.58 117.98 117.01 1x6c s PHE 43 Ca 0.63 -0.79 0.08 0.00 0.12 0.00 0.00 56.93 56.97 1x6c s PHE 43 Cb -0.14 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 1x6c s PHE 43 CO 0.52 -0.14 -0.22 0.08 -0.10 0.00 0.00 175.22 175.37 1x6c s VAL 44 N -2.93 2.47 -0.47 -0.44 1.01 -0.38 -0.21 120.40 119.45 1x6c s VAL 44 Ca 0.05 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1x6c s VAL 44 Cb 0.01 -2.00 0.13 0.00 0.00 0.00 0.00 36.38 34.51 1x6c s VAL 44 CO -0.03 0.35 0.23 -0.22 0.00 0.00 0.00 175.10 175.42 1x6c s LEU 45 N -1.35 3.83 -0.24 3.92 2.96 0.27 -2.05 118.68 126.01 1x6c s LEU 45 Ca 0.13 -2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 51.03 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 -0.26 0.80 -0.55 -1.32 0.00 0.00 176.35 175.05 1x6c s SER 46 N 0.07 6.79 -0.11 3.68 0.15 -1.13 0.12 113.70 123.26 1x6c s SER 46 Ca 0.16 0.99 0.03 0.00 0.70 0.00 0.00 55.95 57.83 1x6c s SER 46 Cb -0.25 -2.42 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1x6c s SER 46 CO -0.01 -0.49 -0.22 -0.69 1.20 0.00 0.00 173.24 173.03 1x6c s VAL 47 N 2.78 2.23 -0.12 4.45 1.01 0.41 -2.15 120.40 129.01 1x6c s VAL 47 Ca 0.34 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1x6c s VAL 47 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1x6c s VAL 47 CO 0.07 0.55 0.98 -0.22 0.00 0.00 0.00 175.10 176.48 1x6c s LEU 48 N 0.45 4.23 0.41 3.92 2.96 0.28 -1.96 118.68 128.98 1x6c s LEU 48 Ca -0.15 1.47 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1x6c s LEU 48 Cb -0.17 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1x6c s LEU 48 CO 0.06 -0.44 0.66 -0.94 -1.32 0.00 0.00 176.35 174.37 1x6c s SER 49 N 1.10 6.20 -0.13 3.68 1.04 -1.16 0.19 113.70 124.62 1x6c s SER 49 Ca 0.47 0.61 0.08 0.00 0.48 0.00 0.00 55.95 57.58 1x6c s SER 49 Cb -0.18 -2.03 0.45 0.00 0.10 0.00 0.00 66.02 64.36 1x6c s SER 49 CO 0.17 -0.47 1.20 -0.90 0.98 0.00 0.00 173.24 174.21 1x6c n ASP 50 N -2.02 3.58 -4.28 7.02 5.75 -1.26 -4.53 116.55 120.81 1x6c n ASP 50 Ca -0.02 -2.50 -0.37 0.00 -0.01 0.00 0.00 54.79 51.90 1x6c n ASP 50 Cb 0.56 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.96 2.81 1.04 0.11 -1.52 -1.26 -5.07 119.66 113.81 1x6c s GLN 51 Ca 0.30 -1.04 -0.16 0.00 -1.95 0.00 0.00 55.36 52.51 1x6c s GLN 51 Cb 0.23 -3.34 0.22 0.00 -0.22 0.00 0.00 33.01 29.89 1x6c s GLN 51 CO 0.09 -0.54 1.20 -1.25 -0.25 0.00 0.00 175.29 174.54 1x6c s PRO 52 N 1.41 0.09 -0.22 2.91 0.04 -1.26 -2.00 135.00 135.98 1x6c s PRO 52 Ca -0.00 -0.10 -0.09 0.00 0.04 0.00 0.00 61.00 60.84 1x6c s PRO 52 Cb -0.18 -1.75 -0.19 0.00 0.04 0.00 0.00 34.50 32.42 1x6c s PRO 52 CO 0.01 -2.83 -0.01 1.63 0.04 0.00 0.00 177.00 175.84 1x6c n LYS 53 N -4.13 0.65 -0.02 4.56 5.02 -1.21 -4.66 118.16 118.37 1x6c n LYS 53 Ca 0.12 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.70 1x6c n LYS 53 Cb 0.59 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.46 1.99 0.00 7.82 0.00 -1.26 -5.11 120.51 120.48 1x6c n ALA 54 Ca -0.42 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1x6c n ALA 54 Cb 0.92 0.02 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 2.49 0.28 3.59 0.00 0.00 -1.26 -4.97 105.19 105.33 1x6c n GLY 55 Ca -0.06 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 3.50 0.00 1.61 0.04 -1.26 -2.28 135.00 136.61 1x6c s PRO 56 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1x6c s PRO 56 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x6c s PRO 56 CO 0.00 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1x6c n GLY 57 N 5.14 1.05 3.66 0.56 0.00 -1.26 -5.11 105.19 109.22 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 -1.13 4.75 0.29 1.61 1.04 -0.97 -5.06 113.70 114.24 1x6c s SER 58 Ca 0.00 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 1x6c s SER 58 Cb 0.00 -1.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.02 1x6c s SER 58 CO 0.00 0.10 1.08 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.83 4.61 -0.05 4.02 0.04 -1.26 -4.71 135.00 134.81 1x6c s PRO 59 Ca 0.27 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1x6c s PRO 59 Cb -0.10 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1x6c s PRO 59 CO 0.18 0.20 1.31 -0.51 0.04 0.00 0.00 177.00 178.22 1x6c s LEU 60 N -1.56 4.28 0.99 -3.56 1.43 -1.26 -3.31 118.68 115.69 1x6c s LEU 60 Ca 0.46 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 1x6c s LEU 60 Cb -0.30 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 1x6c s LEU 60 CO 0.39 -0.68 -0.42 0.54 0.23 0.00 0.00 176.35 176.41 1x6c n ARG 61 N 5.55 -0.12 -4.39 1.70 1.74 -0.84 -4.72 116.66 115.57 1x6c n ARG 61 Ca 0.12 -0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.94 1x6c n ARG 61 Cb 0.45 -1.29 -0.11 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 -2.13 2.15 -0.19 1.55 1.01 -1.26 -2.99 120.40 118.53 1x6c s VAL 62 Ca 0.46 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 1x6c s VAL 62 Cb -0.18 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.24 1x6c s VAL 62 CO 0.77 -0.21 0.01 -0.89 0.00 0.00 0.00 175.10 174.79 1x6c s THR 63 N -1.85 0.72 -0.45 3.92 2.01 -0.83 -4.97 115.64 114.19 1x6c s THR 63 Ca 0.19 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 1x6c s THR 63 Cb -0.07 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.31 1x6c s THR 63 CO 0.09 -0.15 0.75 -1.00 -0.69 0.00 0.00 174.62 173.62 1x6c s HIS 64 N 1.77 3.01 -0.53 4.92 3.76 -1.26 -0.44 115.29 126.52 1x6c s HIS 64 Ca -0.01 0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.85 1x6c s HIS 64 Cb -0.17 -3.59 0.12 0.00 1.11 0.00 0.00 32.58 30.05 1x6c s HIS 64 CO -0.07 -0.96 0.48 0.42 -0.85 0.00 0.00 174.74 173.76 1x6c s ILE 65 N 3.18 5.21 0.80 0.60 1.09 0.32 -4.83 121.20 127.56 1x6c s ILE 65 Ca 0.28 -1.44 -0.13 0.00 -1.10 0.00 0.00 60.65 58.27 1x6c s ILE 65 Cb -0.13 -4.30 0.08 0.00 -1.06 0.00 0.00 42.46 37.05 1x6c s ILE 65 CO 0.22 -0.83 1.16 -0.54 -0.10 0.00 0.00 174.94 174.85 1x6c s LYS 66 N 1.60 1.80 -0.15 2.79 1.02 -1.26 0.93 119.74 126.48 1x6c s LYS 66 Ca 0.03 1.58 -0.01 0.00 0.02 0.00 0.00 55.97 57.59 1x6c s LYS 66 Cb -0.29 -1.81 0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1x6c s LYS 66 CO 0.04 -2.05 -0.04 0.08 -0.92 0.00 0.00 175.35 172.46 1x6c s VAL 67 N -2.37 0.95 -0.30 3.17 1.01 0.71 -4.33 120.40 119.24 1x6c s VAL 67 Ca 0.69 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 1x6c s VAL 67 Cb -0.25 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1x6c s VAL 67 CO 0.51 0.12 0.81 -0.04 0.00 0.00 0.00 175.10 176.51 1x6c s MET 68 N 1.70 3.99 -0.65 2.72 -1.94 0.37 -3.34 119.30 122.16 1x6c s MET 68 Ca 0.01 0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 54.54 1x6c s MET 68 Cb -0.15 -3.72 0.17 0.00 2.01 0.00 0.00 34.83 33.14 1x6c s MET 68 CO -0.07 -0.68 0.55 0.00 -0.01 0.00 0.00 175.02 174.81 1x6c s GLU 70 N 0.63 1.71 -1.03 0.00 4.04 0.34 -4.77 118.70 119.62 1x6c s GLU 70 Ca 0.12 -0.37 -0.04 0.00 0.04 0.00 0.00 54.97 54.73 1x6c s GLU 70 Cb -0.19 -1.57 0.00 0.00 0.02 0.00 0.00 34.13 32.39 1x6c s GLU 70 CO -0.04 -0.13 0.88 0.41 -1.84 0.00 0.00 175.26 174.55 1x6c n GLY 71 N 4.40 -0.22 2.51 -3.83 0.00 -1.26 -1.83 105.19 104.95 1x6c n GLY 71 Ca -0.18 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.45 1.68 3.29 -0.02 0.00 -1.26 -4.95 105.19 102.49 1x6c n GLY 72 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.79 2.45 -0.09 1.61 1.81 -0.76 -4.51 118.95 115.67 1x6c s ARG 73 Ca 0.00 -0.90 -0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1x6c s ARG 73 Cb 0.00 -2.15 -0.03 0.00 -0.45 0.00 0.00 34.95 32.32 1x6c s ARG 73 CO 0.00 0.44 -0.06 0.71 -0.68 0.00 0.00 175.30 175.71 1x6c s TYR 74 N -0.30 2.98 0.03 -0.53 2.02 0.36 -0.50 117.35 121.40 1x6c s TYR 74 Ca 0.01 -0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 56.46 1x6c s TYR 74 Cb -0.13 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.72 1x6c s TYR 74 CO 0.02 0.27 0.51 -0.08 -1.57 0.00 0.00 175.55 174.71 1x6c s THR 75 N -0.59 0.03 -2.26 -0.71 -1.32 -0.54 -1.42 115.64 108.82 1x6c s THR 75 Ca 0.09 -0.26 0.21 0.00 -1.21 0.00 0.00 61.69 60.52 1x6c s THR 75 Cb -0.12 -0.95 0.47 0.00 -1.51 0.00 0.00 72.50 70.39 1x6c s THR 75 CO 0.02 -0.14 1.44 1.33 -2.21 0.00 0.00 174.62 175.06 1x6c n VAL 76 N 0.54 0.54 0.00 5.08 0.24 -1.26 0.14 118.33 123.62 1x6c n VAL 76 Ca -0.19 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1x6c n VAL 76 Cb 0.59 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 1.40 1.77 3.46 7.63 0.00 -1.26 -4.84 105.19 113.35 1x6c n GLY 77 Ca 0.19 0.00 -0.24 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 -2.00 2.46 0.07 -0.02 0.00 -1.26 -5.06 107.32 101.51 1x6c s GLY 78 Ca 0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1x6c s GLY 78 CO 0.00 -1.75 1.46 1.41 0.00 0.00 0.00 173.10 174.21 1x6c h LEU 79 N 1.91 0.39 -9.85 0.66 3.38 -2.00 -3.44 115.31 106.36 1x6c h LEU 79 Ca -0.34 -0.37 -0.55 0.00 0.09 0.00 0.00 57.88 56.71 1x6c h LEU 79 Cb 1.26 -0.11 0.11 0.00 0.09 0.00 0.00 40.66 42.01 1x6c h LEU 79 CO 0.55 0.67 0.69 -0.62 0.09 0.00 0.00 178.44 179.81 1x6c n GLU 80 N -4.62 2.47 -3.28 1.13 1.02 -1.26 -5.00 120.64 111.10 1x6c n GLU 80 Ca -0.05 0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1x6c n GLU 80 Cb 0.28 -2.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.11 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 0.57 0.00 -3.48 2.62 -2.24 -1.26 -4.65 114.28 105.85 1x6c n THR 81 Ca 0.03 -1.31 -0.13 0.00 -2.27 0.00 0.00 64.05 60.38 1x6c n THR 81 Cb 0.37 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.50 -0.49 -0.16 4.78 0.08 -0.51 -4.88 117.98 114.30 1x6c s PHE 82 Ca 0.15 0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.67 1x6c s PHE 82 Cb 0.01 0.47 -0.23 0.00 -0.57 0.00 0.00 43.02 42.70 1x6c s PHE 82 CO 0.10 -0.77 0.21 -0.25 -0.10 0.00 0.00 175.22 174.41 1x6c n ASP 83 N -0.08 1.07 -4.25 1.36 8.00 -1.26 -0.49 116.55 120.90 1x6c n ASP 83 Ca -0.17 0.11 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 1x6c n ASP 83 Cb 0.63 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.63 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 -6.17 2.80 0.55 -2.24 0.01 -1.26 -4.89 113.70 102.51 1x6c s SER 84 Ca -0.17 -0.45 0.33 0.00 1.31 0.00 0.00 55.95 56.97 1x6c s SER 84 Cb 0.07 -0.57 1.48 0.00 0.21 0.00 0.00 66.02 67.22 1x6c s SER 84 CO 0.76 0.25 1.83 -0.07 0.41 0.00 0.00 173.24 176.43 1x6c h LEU 85 N 5.87 0.00 0.37 2.44 -0.00 -1.99 0.12 115.31 122.12 1x6c h LEU 85 Ca -0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.50 1x6c h LEU 85 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1x6c h LEU 85 CO 0.47 0.00 -0.18 0.74 -0.00 0.00 0.00 178.44 179.47 1x6c h THR 86 N 0.00 0.60 0.00 0.22 2.02 -1.98 0.53 112.91 114.31 1x6c h THR 86 Ca 0.44 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1x6c h THR 86 Cb 1.88 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1x6c h THR 86 CO -0.00 0.08 0.04 -0.78 0.37 0.00 0.00 175.52 175.23 1x6c h ASP 87 N -0.78 0.00 0.00 4.18 1.82 -1.21 1.56 116.42 121.99 1x6c h ASP 87 Ca -0.05 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.45 1x6c h ASP 87 Cb 0.52 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 1x6c h ASP 87 CO 0.08 0.00 -0.82 0.25 -1.61 0.00 0.00 179.24 177.14 1x6c h LEU 88 N 0.00 0.00 -0.64 2.28 6.46 -0.73 -3.17 115.31 119.51 1x6c h LEU 88 Ca 0.00 -0.50 -0.11 0.00 -0.12 0.00 0.00 57.88 57.16 1x6c h LEU 88 Cb 0.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1x6c h LEU 88 CO 0.00 1.22 -0.10 0.58 -0.62 0.00 0.00 178.44 179.52 1x6c h VAL 89 N -1.00 1.27 0.00 1.05 2.07 0.10 -1.53 116.25 118.21 1x6c h VAL 89 Ca -0.21 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1x6c h VAL 89 Cb 1.05 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1x6c h VAL 89 CO -0.13 0.43 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 1x6c n GLU 90 N -4.15 0.15 -0.08 1.57 1.02 0.52 0.45 120.64 120.13 1x6c n GLU 90 Ca 0.02 0.47 -0.14 0.00 -0.02 0.00 0.00 57.16 57.48 1x6c n GLU 90 Cb 0.39 -1.84 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.27 -3.35 115.15 112.98 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 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1x6c h HIS 91 CO 0.00 0.93 0.00 1.19 -1.30 0.00 0.00 177.93 178.75 1x6c n PHE 92 N -4.56 0.00 0.31 5.26 3.72 -0.86 -3.04 117.46 118.29 1x6c n PHE 92 Ca -0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.37 1x6c n PHE 92 Cb 0.47 -0.35 0.63 0.00 -0.94 0.00 0.00 39.48 39.28 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 -0.13 -0.07 116.57 116.85 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1x6c h LYS 93 CO 0.00 0.00 -0.27 0.36 -0.57 0.00 0.00 179.45 178.97 1x6c n LYS 94 N -2.49 0.14 0.00 3.15 2.85 -1.17 -4.40 118.16 116.24 1x6c n LYS 94 Ca 0.00 0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.22 1x6c n LYS 94 Cb 0.18 -0.66 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.27 0.42 0.00 0.58 1.35 -1.64 -3.49 112.91 109.87 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 0.27 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 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 -1.37 -2.73 3.33 5.82 0.00 -0.04 -4.97 105.19 105.23 1x6c n GLY 96 Ca -0.03 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 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 1.92 -0.20 -0.61 1.01 0.26 -4.83 121.20 118.18 1x6c s ILE 97 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 60.65 58.97 1x6c s ILE 97 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1x6c s ILE 97 CO 0.00 -0.00 0.00 -0.70 0.00 0.00 0.00 174.94 174.24 1x6c s GLU 98 N -1.96 3.65 0.77 2.79 2.12 -1.26 0.19 118.70 125.00 1x6c s GLU 98 Ca 0.09 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.78 1x6c s GLU 98 Cb -0.10 -3.08 0.19 0.00 0.26 0.00 0.00 34.13 31.40 1x6c s GLU 98 CO 0.05 0.05 0.84 0.39 -0.54 0.00 0.00 175.26 176.04 1x6c n GLU 99 N 4.14 -1.76 0.01 4.30 1.02 0.36 -4.97 120.64 123.74 1x6c n GLU 99 Ca -0.17 -1.31 0.11 0.00 -0.02 0.00 0.00 57.16 55.77 1x6c n GLU 99 Cb 0.52 -1.05 0.05 0.00 -0.02 0.00 0.00 31.44 30.94 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 -3.98 3.91 1.25 0.62 0.00 -1.26 -3.75 120.51 117.31 1x6c n ALA 100 Ca -0.15 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 52.97 1x6c n ALA 100 Cb 0.41 -0.95 0.42 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.65 0.84 0.00 0.00 7.64 -1.26 -4.90 113.62 114.30 1x6c n SER 101 Ca 0.04 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1x6c n SER 101 Cb 0.37 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.34 0.41 3.87 0.23 0.00 -1.25 -5.07 105.19 104.73 1x6c n GLY 102 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.07 3.42 0.27 4.61 0.00 -1.26 -4.84 121.76 121.88 1x6c s ALA 103 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1x6c s ALA 103 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1x6c s ALA 103 CO 0.00 0.16 0.20 -0.06 0.00 0.00 0.00 175.76 176.06 1x6c s PHE 104 N -2.18 3.05 0.06 0.00 0.40 -1.26 0.14 117.98 118.18 1x6c s PHE 104 Ca 0.50 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1x6c s PHE 104 Cb -0.10 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1x6c s PHE 104 CO 0.27 0.48 -0.05 0.08 0.70 0.00 0.00 175.22 176.70 1x6c s VAL 105 N -2.18 0.38 0.01 -0.44 1.01 0.50 -4.87 120.40 114.82 1x6c s VAL 105 Ca 0.34 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1x6c s VAL 105 Cb -0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1x6c s VAL 105 CO 0.25 -0.79 0.05 -0.31 0.00 0.00 0.00 175.10 174.30 1x6c s TYR 106 N -3.05 0.13 -0.60 5.22 2.02 -1.26 0.93 117.35 120.74 1x6c s TYR 106 Ca 0.02 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.26 1x6c s TYR 106 Cb 0.02 -0.11 0.12 0.00 -0.40 0.00 0.00 41.96 41.59 1x6c s TYR 106 CO -0.05 -0.21 0.66 -0.51 -1.57 0.00 0.00 175.55 173.87 1x6c s LEU 107 N -1.24 5.70 -0.09 -1.29 1.02 -1.26 -4.46 118.68 117.05 1x6c s LEU 107 Ca -0.13 -1.63 -0.02 0.00 0.02 0.00 0.00 54.13 52.37 1x6c s LEU 107 Cb -0.08 -2.27 -0.01 0.00 0.02 0.00 0.00 46.19 43.85 1x6c s LEU 107 CO 0.00 -1.01 -0.04 0.03 0.02 0.00 0.00 176.35 175.36 1x6c h ARG 108 N 9.01 0.00 -4.27 1.70 3.08 -0.58 -3.45 114.38 119.87 1x6c h ARG 108 Ca -0.26 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.48 1x6c h ARG 108 Cb 1.09 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.86 1x6c h ARG 108 CO 1.06 0.00 -0.75 1.14 -1.07 0.00 0.00 179.97 180.36 1x6c s GLN 109 N -1.61 0.39 0.62 0.04 -2.07 -1.03 -5.04 119.66 110.95 1x6c s GLN 109 Ca -0.03 -0.24 -0.14 0.00 -1.82 0.00 0.00 55.36 53.13 1x6c s GLN 109 Cb 0.00 -0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 31.55 1x6c s GLN 109 CO 0.04 0.09 1.05 -1.25 -1.32 0.00 0.00 175.29 173.91 1x6c s PRO 110 N -0.29 3.25 0.06 9.60 0.04 -1.26 -2.64 135.00 143.76 1x6c s PRO 110 Ca 0.00 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1x6c s PRO 110 Cb -0.03 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1x6c s PRO 110 CO -0.00 -0.85 0.24 -0.47 0.04 0.00 0.00 177.00 175.95 1x6c s TYR 111 N -2.66 3.52 0.14 0.56 5.04 0.08 -4.85 117.35 119.19 1x6c s TYR 111 Ca 0.61 0.33 0.06 0.00 -2.44 0.00 0.00 57.07 55.64 1x6c s TYR 111 Cb -0.15 -1.82 -0.04 0.00 0.35 0.00 0.00 41.96 40.30 1x6c s TYR 111 CO 0.42 0.57 -0.14 0.71 -1.34 0.00 0.00 175.55 175.77 1x6c s TYR 112 N -1.50 1.49 -0.01 4.97 1.51 -1.26 -4.79 117.35 117.75 1x6c s TYR 112 Ca 0.35 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1x6c s TYR 112 Cb -0.13 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1x6c s TYR 112 CO 0.26 0.19 -0.05 0.45 -1.11 0.00 0.00 175.55 175.29 1x6c s SER 113 N -2.66 0.71 0.00 2.29 0.15 -1.26 -5.08 113.70 107.85 1x6c s SER 113 Ca 0.12 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x6c s SER 113 Cb -0.04 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1x6c s SER 113 CO 0.04 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1x6c n GLY 114 N 3.17 -0.03 3.80 9.45 0.00 -1.26 -5.07 105.19 115.26 1x6c n GLY 114 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 1.00 1.96 0.59 1.61 0.04 -1.26 -5.01 135.00 133.93 1x6c s PRO 115 Ca 0.00 0.59 -0.18 0.00 0.04 0.00 0.00 61.00 61.45 1x6c s PRO 115 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1x6c s PRO 115 CO 0.00 -1.69 1.15 -1.12 0.04 0.00 0.00 177.00 175.38 1x6c s SER 116 N -3.93 5.33 -0.12 6.66 0.01 -1.26 -5.04 113.70 115.36 1x6c s SER 116 Ca 0.61 2.21 -0.01 0.00 1.31 0.00 0.00 55.95 60.08 1x6c s SER 116 Cb -0.14 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.54 1x6c s SER 116 CO 0.54 -1.49 -0.04 -0.55 0.41 0.00 0.00 173.24 172.11 1x6c s SER 117 N -1.91 2.17 0.00 2.44 0.15 -1.26 -5.28 113.70 110.02 1x6c s SER 117 Ca 0.73 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x6c s SER 117 Cb -0.25 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1x6c s SER 117 CO 0.33 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.22