#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 -0.59 0.12 1.61 0.01 -1.26 -5.18 113.70 108.41 1x6c s SER 2 Ca 0.00 0.51 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 1x6c s SER 2 Cb 0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 1x6c s SER 2 CO 0.00 -0.64 0.12 -0.94 0.41 0.00 0.00 173.24 172.19 1x6c s SER 3 N -1.54 0.24 0.00 2.44 1.04 -1.26 -5.18 113.70 109.44 1x6c s SER 3 Ca -0.07 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1x6c s SER 3 Cb -0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x6c s SER 3 CO 0.04 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x6c n GLY 4 N -0.09 5.57 3.67 7.32 0.00 -1.26 -5.05 105.19 115.36 1x6c n GLY 4 Ca -0.09 -2.01 -0.48 0.00 0.00 0.00 0.00 46.02 43.45 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6c n SER 5 N 0.00 3.13 -0.59 1.61 3.41 -1.26 -4.65 113.62 115.27 1x6c n SER 5 Ca 0.00 1.03 0.02 0.00 -0.26 0.00 0.00 58.87 59.66 1x6c n SER 5 Cb 0.00 -1.37 -0.00 0.00 -0.26 0.00 0.00 64.21 62.58 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 4.97 -3.54 -2.71 4.04 7.64 -1.26 -4.84 113.62 117.91 1x6c n SER 6 Ca 0.20 0.13 -0.06 0.00 1.01 0.00 0.00 58.87 60.15 1x6c n SER 6 Cb 0.28 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.38 -0.61 0.01 0.23 0.00 -1.26 -4.96 105.19 98.21 1x6c n GLY 7 Ca 0.00 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.57 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 1.07 0.00 -1.56 1.61 4.27 -1.26 -4.92 117.44 116.65 1x6c n TRP 8 Ca 0.03 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.25 1x6c n TRP 8 Cb 0.69 -0.37 -0.03 0.00 -1.36 0.00 0.00 31.31 30.24 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 -2.06 1.59 0.09 -2.67 9.36 -1.25 -3.33 117.16 118.88 1x6c n TYR 9 Ca -0.04 0.05 -0.06 0.00 3.32 0.00 0.00 57.90 61.17 1x6c n TYR 9 Cb 0.43 -2.66 0.08 0.00 -0.63 0.00 0.00 39.34 36.57 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 17.67 0.29 0.00 2.98 3.86 -0.79 -3.49 115.15 135.68 1x6c h HIS 10 Ca -0.29 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1x6c h HIS 10 Cb 1.26 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1x6c h HIS 10 CO 0.96 0.84 0.00 0.41 0.86 0.00 0.00 177.93 181.00 1x6c n GLY 11 N 0.46 0.65 3.55 2.45 0.00 -1.26 -4.80 105.19 106.25 1x6c n GLY 11 Ca -0.03 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 2.93 -0.07 1.61 2.46 -1.26 0.14 115.29 121.10 1x6c s HIS 12 Ca 0.00 -1.68 0.01 0.00 0.47 0.00 0.00 55.06 53.86 1x6c s HIS 12 Cb 0.00 -4.65 -0.03 0.00 -0.13 0.00 0.00 32.58 27.77 1x6c s HIS 12 CO 0.00 -1.72 -0.07 1.41 -2.47 0.00 0.00 174.74 171.89 1x6c s MET 13 N 3.67 2.75 -0.14 2.88 0.00 -1.25 -4.95 119.30 122.26 1x6c s MET 13 Ca 0.50 -0.55 -0.26 0.00 0.00 0.00 0.00 55.69 55.39 1x6c s MET 13 Cb 0.02 -2.59 -0.02 0.00 0.00 0.00 0.00 34.83 32.24 1x6c s MET 13 CO 0.05 0.66 0.83 0.45 0.00 0.00 0.00 175.02 177.01 1x6c s SER 14 N -0.81 7.01 0.09 1.11 0.15 -1.26 -4.51 113.70 115.48 1x6c s SER 14 Ca 0.12 1.24 -0.17 0.00 0.70 0.00 0.00 55.95 57.84 1x6c s SER 14 Cb -0.11 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1x6c s SER 14 CO 0.01 -0.35 1.30 0.61 1.20 0.00 0.00 173.24 176.02 1x6c n GLY 15 N 3.34 -2.84 0.56 9.45 0.00 -1.26 0.15 105.19 114.58 1x6c n GLY 15 Ca 0.04 0.92 0.40 0.00 0.00 0.00 0.00 46.02 47.38 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 0.53 0.41 -0.02 0.00 -2.01 0.22 103.07 102.21 1x6c h GLY 16 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1x6c h GLY 16 CO -0.52 -0.14 -0.20 -1.61 0.00 0.00 0.00 176.54 174.07 1x6c h GLN 17 N 0.07 -0.54 -0.91 4.80 4.15 0.10 -2.99 115.11 119.79 1x6c h GLN 17 Ca 0.76 0.04 0.22 0.00 0.77 0.00 0.00 58.65 60.44 1x6c h GLN 17 Cb 2.76 0.12 -0.17 0.00 0.21 0.00 0.00 27.48 30.40 1x6c h GLN 17 CO -0.17 -0.36 -0.11 0.00 -1.93 0.00 0.00 178.83 176.27 1x6c n ALA 18 N -2.49 0.34 -0.11 3.38 0.00 0.01 0.15 120.51 121.77 1x6c n ALA 18 Ca -0.07 0.99 -0.06 0.00 0.00 0.00 0.00 53.44 54.30 1x6c n ALA 18 Cb 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.16 -0.45 0.00 5.08 -1.40 1.53 114.58 119.18 1x6c h GLU 19 Ca 0.49 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.72 1x6c h GLU 19 Cb 0.89 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1x6c h GLU 19 CO -0.90 -0.10 -0.27 1.15 -1.00 0.00 0.00 179.01 177.89 1x6c h THR 20 N -0.16 1.27 0.74 1.13 2.02 0.15 -1.53 112.91 116.53 1x6c h THR 20 Ca 0.19 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 1x6c h THR 20 Cb 0.46 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1x6c h THR 20 CO -0.49 0.49 -0.35 -0.07 0.37 0.00 0.00 175.52 175.47 1x6c h LEU 21 N 0.82 -0.84 -1.21 2.58 4.07 0.19 1.30 115.31 122.23 1x6c h LEU 21 Ca 0.09 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.24 1x6c h LEU 21 Cb 0.85 0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.73 1x6c h LEU 21 CO 0.08 -0.59 0.60 -0.07 -1.08 0.00 0.00 178.44 177.38 1x6c h LEU 22 N -1.01 0.69 -0.21 1.67 3.38 0.21 0.39 115.31 120.44 1x6c h LEU 22 Ca -0.10 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1x6c h LEU 22 Cb 0.77 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1x6c h LEU 22 CO 0.17 0.32 -0.38 1.56 0.09 0.00 0.00 178.44 180.20 1x6c h GLN 23 N 0.72 0.62 -1.00 1.13 4.20 -0.73 -0.62 115.11 119.43 1x6c h GLN 23 Ca 0.49 -0.39 0.24 0.00 0.06 0.00 0.00 58.65 59.05 1x6c h GLN 23 Cb 0.81 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.51 1x6c h GLN 23 CO -0.26 1.01 0.60 0.00 -0.67 0.00 0.00 178.83 179.50 1x6c h ALA 24 N 0.61 1.78 0.06 3.87 0.00 0.38 -1.45 119.26 124.52 1x6c h ALA 24 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x6c h ALA 24 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x6c h ALA 24 CO 0.08 -0.25 -0.03 -0.22 0.00 0.00 0.00 179.25 178.83 1x6c h LYS 25 N 0.60 -0.08 0.00 0.00 1.63 -1.26 -3.48 116.57 113.97 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 1.20 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1x6c h LYS 25 CO -0.47 0.39 0.00 0.41 -3.45 0.00 0.00 179.45 176.33 1x6c n GLY 26 N 1.31 2.94 3.53 5.01 0.00 -0.25 -5.00 105.19 112.73 1x6c n GLY 26 Ca -0.06 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.24 0.08 -2.50 1.61 1.02 -1.26 -4.85 120.64 114.50 1x6c n GLU 27 Ca 0.00 0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1x6c n GLU 27 Cb 0.00 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 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 4.40 4.64 -0.33 3.49 0.04 -1.26 -3.57 135.00 142.41 1x6c s PRO 28 Ca 1.11 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.91 1x6c s PRO 28 Cb -1.46 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1x6c s PRO 28 CO 0.74 0.19 0.28 0.91 0.04 0.00 0.00 177.00 179.16 1x6c n TRP 29 N 1.55 -0.63 -3.97 0.56 5.03 0.39 -4.80 117.44 115.57 1x6c n TRP 29 Ca -0.00 0.26 -0.34 0.00 3.03 0.00 0.00 57.50 60.44 1x6c n TRP 29 Cb 0.45 -2.61 -0.14 0.00 -1.03 0.00 0.00 31.31 27.98 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 -3.09 2.89 0.37 -0.99 2.01 -1.11 -0.88 115.64 114.84 1x6c s THR 30 Ca 0.04 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.21 1x6c s THR 30 Cb -0.02 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1x6c s THR 30 CO 0.19 0.28 0.32 0.72 -0.69 0.00 0.00 174.62 175.44 1x6c s PHE 31 N 1.35 2.81 -0.28 4.92 -0.71 -1.01 0.11 117.98 125.16 1x6c s PHE 31 Ca 0.02 -0.39 -0.24 0.00 -1.04 0.00 0.00 56.93 55.28 1x6c s PHE 31 Cb -0.16 -1.95 0.12 0.00 -1.21 0.00 0.00 43.02 39.82 1x6c s PHE 31 CO -0.05 0.06 0.97 -0.48 -1.34 0.00 0.00 175.22 174.39 1x6c s LEU 32 N -4.04 -0.51 -0.14 -1.99 0.05 -0.85 -0.84 118.68 110.35 1x6c s LEU 32 Ca 0.44 0.97 -0.10 0.00 0.05 0.00 0.00 54.13 55.49 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 0.19 -0.69 -0.55 0.00 0.00 176.35 175.40 1x6c s VAL 33 N 0.38 5.40 0.17 1.48 1.01 -1.21 -2.53 120.40 125.09 1x6c s VAL 33 Ca 0.01 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1x6c s VAL 33 Cb -0.05 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1x6c s VAL 33 CO -0.06 0.52 0.26 0.00 0.00 0.00 0.00 175.10 175.82 1x6c s ARG 34 N -0.31 1.17 -0.03 2.72 1.70 -0.92 -0.01 118.95 123.28 1x6c s ARG 34 Ca 0.14 -1.25 -0.17 0.00 -0.47 0.00 0.00 55.73 53.98 1x6c s ARG 34 Cb -0.12 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1x6c s ARG 34 CO 0.03 -0.42 0.46 -1.21 -1.08 0.00 0.00 175.30 173.07 1x6c s GLU 35 N -4.00 4.12 -0.12 3.89 2.02 0.37 -1.37 118.70 123.61 1x6c s GLU 35 Ca 0.20 0.48 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 1x6c s GLU 35 Cb 0.04 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 1x6c s GLU 35 CO 0.02 0.49 1.12 0.45 0.02 0.00 0.00 175.26 177.37 1x6c s SER 36 N -0.48 7.11 0.01 -0.19 0.15 -1.18 -3.93 113.70 115.17 1x6c s SER 36 Ca 0.25 1.63 -0.20 0.00 0.70 0.00 0.00 55.95 58.33 1x6c s SER 36 Cb -0.17 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 61.38 1x6c s SER 36 CO 0.13 -0.58 1.13 -0.07 1.20 0.00 0.00 173.24 175.05 1x6c h LEU 37 N 8.60 0.49 -1.40 3.45 4.07 -1.93 -3.16 115.31 125.42 1x6c h LEU 37 Ca -0.29 -0.72 -0.06 0.00 0.08 0.00 0.00 57.88 56.89 1x6c h LEU 37 Cb 1.13 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1x6c h LEU 37 CO 0.90 1.14 -0.23 -1.28 -1.08 0.00 0.00 178.44 177.90 1x6c h SER 38 N -0.12 0.11 -3.71 -0.43 0.87 -1.98 -3.36 113.55 104.94 1x6c h SER 38 Ca -0.05 -0.03 -0.63 0.00 -1.23 0.00 0.00 61.79 59.85 1x6c h SER 38 Cb 1.19 -0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.72 1x6c h SER 38 CO 0.10 0.34 -0.71 -1.10 -0.53 0.00 0.00 176.83 174.93 1x6c s GLN 39 N -4.52 1.40 -0.32 2.24 1.11 -1.20 -5.08 119.66 113.29 1x6c s GLN 39 Ca -0.04 -1.90 -0.29 0.00 0.01 0.00 0.00 55.36 53.13 1x6c s GLN 39 Cb 0.15 -2.84 0.00 0.00 -1.01 0.00 0.00 33.01 29.31 1x6c s GLN 39 CO 0.72 -1.02 1.36 -1.25 0.01 0.00 0.00 175.29 175.11 1x6c s PRO 40 N 0.69 3.82 0.00 2.91 0.04 -1.22 -2.64 135.00 138.60 1x6c s PRO 40 Ca 0.13 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1x6c s PRO 40 Cb -0.21 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1x6c s PRO 40 CO -0.08 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1x6c n GLY 41 N 4.54 1.96 2.33 0.56 0.00 -1.26 -5.11 105.19 108.21 1x6c n GLY 41 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1x6c n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6c n ASP 42 N 0.00 1.28 -3.83 1.61 8.00 -1.08 -4.80 116.55 117.73 1x6c n ASP 42 Ca 0.00 -1.92 -0.11 0.00 0.71 0.00 0.00 54.79 53.47 1x6c n ASP 42 Cb 0.00 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x6c s PHE 43 N -1.16 0.02 0.08 1.24 0.08 -1.18 -3.12 117.98 113.95 1x6c s PHE 43 Ca 0.36 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 57.30 1x6c s PHE 43 Cb -0.03 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.38 1x6c s PHE 43 CO 0.23 -0.42 -0.25 0.08 -0.10 0.00 0.00 175.22 174.75 1x6c s VAL 44 N -2.37 2.07 -0.34 -0.44 1.01 -0.47 -0.02 120.40 119.83 1x6c s VAL 44 Ca -0.07 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.43 1x6c s VAL 44 Cb -0.02 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.66 1x6c s VAL 44 CO -0.03 0.19 0.07 -0.22 0.00 0.00 0.00 175.10 175.11 1x6c s LEU 45 N -1.61 4.25 -0.31 3.92 2.96 -0.28 -2.17 118.68 125.44 1x6c s LEU 45 Ca 0.11 -2.09 -0.19 0.00 -0.22 0.00 0.00 54.13 51.74 1x6c s LEU 45 Cb -0.10 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1x6c s LEU 45 CO 0.04 -0.38 0.57 -0.44 -1.32 0.00 0.00 176.35 174.82 1x6c s SER 46 N 0.99 6.43 -0.13 3.68 0.01 -1.05 0.19 113.70 123.82 1x6c s SER 46 Ca 0.11 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1x6c s SER 46 Cb -0.19 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1x6c s SER 46 CO -0.11 -0.44 -0.16 -0.69 0.41 0.00 0.00 173.24 172.25 1x6c s VAL 47 N 2.49 2.71 -0.22 3.43 1.01 0.11 -2.01 120.40 127.92 1x6c s VAL 47 Ca 0.23 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1x6c s VAL 47 Cb -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1x6c s VAL 47 CO 0.12 0.53 1.07 -0.22 0.00 0.00 0.00 175.10 176.60 1x6c s LEU 48 N 0.50 4.10 0.52 3.92 2.96 0.29 -1.49 118.68 129.48 1x6c s LEU 48 Ca -0.11 1.41 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 1x6c s LEU 48 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1x6c s LEU 48 CO 0.05 -0.69 0.82 -0.94 -1.32 0.00 0.00 176.35 174.27 1x6c s SER 49 N 1.32 6.04 -0.15 3.68 1.04 -1.17 0.15 113.70 124.60 1x6c s SER 49 Ca 0.45 0.84 0.09 0.00 0.48 0.00 0.00 55.95 57.82 1x6c s SER 49 Cb -0.16 -2.05 0.53 0.00 0.10 0.00 0.00 66.02 64.44 1x6c s SER 49 CO 0.07 -0.74 1.30 -0.90 0.98 0.00 0.00 173.24 173.96 1x6c n ASP 50 N -2.36 4.02 -4.29 7.02 5.75 -1.26 -4.56 116.55 120.86 1x6c n ASP 50 Ca 0.02 -2.59 -0.38 0.00 -0.01 0.00 0.00 54.79 51.83 1x6c n ASP 50 Cb 0.56 -0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 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 -2.12 2.70 1.04 0.11 -0.21 -1.26 -5.06 119.66 114.86 1x6c s GLN 51 Ca 0.35 -1.13 -0.16 0.00 0.02 0.00 0.00 55.36 54.44 1x6c s GLN 51 Cb 0.27 -3.48 0.22 0.00 1.00 0.00 0.00 33.01 31.01 1x6c s GLN 51 CO 0.10 -0.64 1.20 -1.25 -2.12 0.00 0.00 175.29 172.58 1x6c s PRO 52 N 1.43 0.07 -0.24 2.91 0.04 -1.26 -1.75 135.00 136.20 1x6c s PRO 52 Ca -0.01 -0.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.86 1x6c s PRO 52 Cb -0.19 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 1x6c s PRO 52 CO 0.03 -2.84 -0.14 1.63 0.04 0.00 0.00 177.00 175.72 1x6c n LYS 53 N -4.14 0.64 -0.03 4.56 5.02 -1.13 -4.66 118.16 118.42 1x6c n LYS 53 Ca 0.12 0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1x6c n LYS 53 Cb 0.59 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.54 1.97 0.00 7.82 0.00 -1.26 -5.10 120.51 120.40 1x6c n ALA 54 Ca -0.45 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1x6c n ALA 54 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 2.36 0.25 3.65 0.00 0.00 -1.26 -4.96 105.19 105.23 1x6c n GLY 55 Ca -0.09 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 4.07 0.00 1.61 0.04 -1.26 -2.35 135.00 137.11 1x6c s PRO 56 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1x6c s PRO 56 Cb 0.00 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1x6c s PRO 56 CO 0.00 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1x6c n GLY 57 N 3.98 0.78 3.63 0.56 0.00 -1.26 -5.08 105.19 107.82 1x6c n GLY 57 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.40 4.64 0.31 1.61 1.04 -0.99 -5.05 113.70 112.86 1x6c s SER 58 Ca 0.00 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 1x6c s SER 58 Cb 0.00 -0.95 -0.09 0.00 0.10 0.00 0.00 66.02 65.08 1x6c s SER 58 CO 0.00 0.12 1.07 -2.16 0.98 0.00 0.00 173.24 173.25 1x6c s PRO 59 N -2.71 4.50 -0.10 4.02 0.04 -1.26 -4.73 135.00 134.76 1x6c s PRO 59 Ca 0.26 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1x6c s PRO 59 Cb -0.10 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1x6c s PRO 59 CO 0.17 0.12 1.01 -0.51 0.04 0.00 0.00 177.00 177.83 1x6c s LEU 60 N -1.80 4.25 1.02 -3.56 1.43 -1.26 -2.85 118.68 115.90 1x6c s LEU 60 Ca 0.48 1.54 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 1x6c s LEU 60 Cb -0.29 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 1x6c s LEU 60 CO 0.36 -0.45 -0.66 0.54 0.23 0.00 0.00 176.35 176.37 1x6c n ARG 61 N 4.99 -0.42 -4.59 1.70 1.74 -0.72 -4.73 116.66 114.64 1x6c n ARG 61 Ca 0.09 -0.11 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 1x6c n ARG 61 Cb 0.49 -1.31 -0.14 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 -2.12 1.43 -0.21 1.55 1.01 -1.26 -3.05 120.40 117.75 1x6c s VAL 62 Ca 0.45 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1x6c s VAL 62 Cb -0.08 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x6c s VAL 62 CO 0.71 0.18 -0.17 -0.89 0.00 0.00 0.00 175.10 174.93 1x6c s THR 63 N -0.73 2.08 -0.39 3.92 2.01 -0.55 -4.97 115.64 117.00 1x6c s THR 63 Ca 0.05 -1.16 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 1x6c s THR 63 Cb -0.08 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.46 1x6c s THR 63 CO 0.01 0.35 0.43 -1.00 -0.69 0.00 0.00 174.62 173.72 1x6c s HIS 64 N 1.24 3.18 -0.73 4.92 3.76 -1.26 0.09 115.29 126.49 1x6c s HIS 64 Ca 0.00 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.56 1x6c s HIS 64 Cb -0.15 -2.84 0.19 0.00 1.11 0.00 0.00 32.58 30.89 1x6c s HIS 64 CO -0.10 -0.61 0.67 0.42 -0.85 0.00 0.00 174.74 174.26 1x6c s ILE 65 N 2.14 5.36 0.61 0.60 1.09 0.51 -4.84 121.20 126.68 1x6c s ILE 65 Ca 0.13 -2.24 -0.18 0.00 -1.10 0.00 0.00 60.65 57.26 1x6c s ILE 65 Cb -0.17 -4.36 -0.05 0.00 -1.06 0.00 0.00 42.46 36.83 1x6c s ILE 65 CO 0.13 -0.97 0.89 0.29 -0.10 0.00 0.00 174.94 175.18 1x6c n LYS 66 N 4.29 0.79 -3.86 2.79 5.02 -1.26 -1.12 118.16 124.80 1x6c n LYS 66 Ca 0.06 0.31 -0.30 0.00 -2.02 0.00 0.00 58.31 56.36 1x6c n LYS 66 Cb 0.45 -2.09 -0.16 0.00 -0.02 0.00 0.00 35.03 33.21 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 -1.57 1.27 -0.16 -0.18 1.01 0.97 -4.23 120.40 117.51 1x6c s VAL 67 Ca 0.75 -1.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1x6c s VAL 67 Cb -0.41 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1x6c s VAL 67 CO 0.48 -0.31 0.88 -0.04 0.00 0.00 0.00 175.10 176.10 1x6c s MET 68 N 1.48 4.32 -0.64 2.72 -1.94 0.25 -3.10 119.30 122.38 1x6c s MET 68 Ca 0.01 1.10 -0.09 0.00 -1.71 0.00 0.00 55.69 55.01 1x6c s MET 68 Cb -0.18 -3.57 0.17 0.00 2.01 0.00 0.00 34.83 33.25 1x6c s MET 68 CO -0.11 -0.34 0.52 0.00 -0.01 0.00 0.00 175.02 175.07 1x6c s GLU 70 N 0.47 1.88 -1.44 0.00 2.02 0.04 -4.72 118.70 116.94 1x6c s GLU 70 Ca 0.14 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 54.41 1x6c s GLU 70 Cb -0.19 -1.61 0.02 0.00 0.10 0.00 0.00 34.13 32.45 1x6c s GLU 70 CO -0.04 0.24 0.97 0.41 0.02 0.00 0.00 175.26 176.85 1x6c n GLY 71 N 3.19 -0.53 2.98 -1.39 0.00 -1.26 -1.30 105.19 106.87 1x6c n GLY 71 Ca -0.18 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1x6c n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6c n GLY 72 N -1.79 -0.52 2.93 -0.02 0.00 -1.26 -4.99 105.19 99.54 1x6c n GLY 72 Ca -0.02 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.66 0.32 -0.11 1.61 0.52 -0.42 -4.62 118.95 110.59 1x6c s ARG 73 Ca 0.28 -0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1x6c s ARG 73 Cb -0.13 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 1x6c s ARG 73 CO 0.35 0.07 0.10 0.71 0.02 0.00 0.00 175.30 176.55 1x6c s TYR 74 N -0.02 3.46 -0.04 -0.53 2.02 0.12 -0.78 117.35 121.58 1x6c s TYR 74 Ca 0.01 0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.88 1x6c s TYR 74 Cb -0.02 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1x6c s TYR 74 CO -0.00 0.65 0.54 -0.08 -1.57 0.00 0.00 175.55 175.08 1x6c s THR 75 N -0.97 0.02 -2.26 -0.71 -1.32 -0.39 -1.26 115.64 108.75 1x6c s THR 75 Ca 0.14 -0.18 0.20 0.00 -1.21 0.00 0.00 61.69 60.64 1x6c s THR 75 Cb -0.12 -0.85 0.45 0.00 -1.51 0.00 0.00 72.50 70.48 1x6c s THR 75 CO 0.03 -0.10 1.44 1.33 -2.21 0.00 0.00 174.62 175.12 1x6c n VAL 76 N 1.07 0.50 0.00 5.08 0.24 -1.26 0.84 118.33 124.80 1x6c n VAL 76 Ca -0.20 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1x6c n VAL 76 Cb 0.57 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 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 1.93 3.51 7.63 0.00 -1.26 -4.81 105.19 113.55 1x6c n GLY 77 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 2.28 0.19 -0.02 0.00 -1.26 -5.04 107.32 101.46 1x6c s GLY 78 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 44.72 42.69 1x6c s GLY 78 CO 0.00 -1.90 1.83 1.41 0.00 0.00 0.00 173.10 174.44 1x6c h LEU 79 N 1.96 0.76-10.01 0.66 3.38 -2.01 -3.43 115.31 106.62 1x6c h LEU 79 Ca -0.41 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 56.95 1x6c h LEU 79 Cb 1.25 -0.19 0.17 0.00 0.09 0.00 0.00 40.66 41.99 1x6c h LEU 79 CO 0.71 0.59 0.21 -0.62 0.09 0.00 0.00 178.44 179.41 1x6c n GLU 80 N -4.60 0.58 -3.72 1.13 1.02 -1.26 -5.02 120.64 108.76 1x6c n GLU 80 Ca 0.05 0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 57.31 1x6c n GLU 80 Cb 0.05 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.13 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 -2.49 0.00 -3.51 2.62 -2.24 -1.26 -4.67 114.28 102.72 1x6c n THR 81 Ca 0.14 -1.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.10 1x6c n THR 81 Cb 0.49 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 -3.19 -0.40 -0.13 4.78 0.08 -0.39 -4.88 117.98 113.85 1x6c s PHE 82 Ca 0.28 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.46 1x6c s PHE 82 Cb -0.00 0.43 -0.24 0.00 -0.57 0.00 0.00 43.02 42.63 1x6c s PHE 82 CO 0.20 -0.78 0.31 -3.47 -0.10 0.00 0.00 175.22 171.38 1x6c n ASP 83 N -0.29 1.83 -4.30 1.36 -0.08 -1.26 0.11 116.55 113.93 1x6c n ASP 83 Ca -0.17 0.18 -0.23 0.00 -1.51 0.00 0.00 54.79 53.06 1x6c n ASP 83 Cb 0.64 -0.60 -0.12 0.00 2.34 0.00 0.00 41.12 43.38 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1x6c s SER 84 N -6.76 2.56 0.51 1.67 0.01 -1.26 -4.80 113.70 105.63 1x6c s SER 84 Ca -0.21 -0.75 0.16 0.00 1.31 0.00 0.00 55.95 56.46 1x6c s SER 84 Cb 0.07 -0.14 1.23 0.00 0.21 0.00 0.00 66.02 67.39 1x6c s SER 84 CO 0.75 0.02 2.12 -0.07 0.41 0.00 0.00 173.24 176.48 1x6c h LEU 85 N 3.78 0.06 -0.03 2.44 -0.00 -1.99 -1.80 115.31 117.77 1x6c h LEU 85 Ca -0.45 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1x6c h LEU 85 Cb 1.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1x6c h LEU 85 CO 0.44 0.04 0.01 0.74 -0.00 0.00 0.00 178.44 179.67 1x6c h THR 86 N 0.07 1.07 0.00 0.22 2.02 -1.95 0.78 112.91 115.11 1x6c h THR 86 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1x6c h THR 86 Cb 0.09 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1x6c h THR 86 CO -0.01 0.05 0.00 0.47 0.37 0.00 0.00 175.52 176.41 1x6c n ASP 87 N -5.03 0.49 -0.08 4.18 9.92 -0.71 0.68 116.55 126.00 1x6c n ASP 87 Ca -0.07 0.68 -0.07 0.00 -0.53 0.00 0.00 54.79 54.80 1x6c n ASP 87 Cb 0.06 -0.76 -0.03 0.00 -0.64 0.00 0.00 41.12 39.75 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 -2.11 1.83 -0.27 0.64 0.00 -0.28 -3.18 117.00 113.63 1x6c n LEU 88 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 56.01 56.56 1x6c n LEU 88 Cb 0.10 -0.87 0.08 0.00 0.00 0.00 0.00 43.42 42.73 1x6c n LEU 88 CO 0.12 -0.36 1.17 0.58 0.00 0.00 0.00 177.39 178.90 1x6c h VAL 89 N -1.00 1.13 0.00 1.96 2.07 0.73 0.20 116.25 121.35 1x6c h VAL 89 Ca -0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1x6c h VAL 89 Cb 0.66 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1x6c h VAL 89 CO -0.03 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.41 1x6c h GLU 90 N 0.96 0.00 0.06 1.57 5.08 0.06 0.92 114.58 123.22 1x6c h GLU 90 Ca 0.30 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1x6c h GLU 90 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1x6c h GLU 90 CO -0.10 0.00 -0.89 1.25 -1.00 0.00 0.00 179.01 178.28 1x6c h HIS 91 N 0.00 0.21 -0.00 4.33 2.76 -0.69 -3.34 115.15 118.42 1x6c h HIS 91 Ca 0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1x6c h HIS 91 Cb 0.35 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1x6c h HIS 91 CO 0.00 1.35 -0.19 1.19 -1.30 0.00 0.00 177.93 178.98 1x6c n PHE 92 N -4.28 0.00 0.26 5.26 3.72 0.32 -3.18 117.46 119.56 1x6c n PHE 92 Ca -0.21 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.25 1x6c n PHE 92 Cb 0.71 -0.33 0.30 0.00 -0.94 0.00 0.00 39.48 39.21 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 -1.35 0.06 0.03 -1.08 5.02 0.32 -0.29 118.16 120.86 1x6c n LYS 93 Ca 0.09 0.43 -0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1x6c n LYS 93 Cb 0.32 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.78 0.02 -0.23 1.97 2.85 -1.22 -4.40 118.16 115.37 1x6c n LYS 94 Ca 0.01 0.01 0.15 0.00 -1.05 0.00 0.00 58.31 57.43 1x6c n LYS 94 Cb 0.10 -0.38 0.46 0.00 -0.65 0.00 0.00 35.03 34.56 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 -0.03 0.77 0.00 0.58 1.35 -1.63 -3.48 112.91 110.47 1x6c h THR 95 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1x6c h THR 95 Cb 0.03 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1x6c h THR 95 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1x6c n GLY 96 N -1.48 -2.22 3.23 5.82 0.00 0.60 -4.95 105.19 106.18 1x6c n GLY 96 Ca 0.17 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.39 1.55 -0.25 -0.61 1.01 0.40 -4.83 121.20 118.08 1x6c s ILE 97 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 1x6c s ILE 97 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1x6c s ILE 97 CO 0.00 0.15 0.13 -0.70 0.00 0.00 0.00 174.94 174.51 1x6c s GLU 98 N -1.21 3.86 0.86 2.79 2.12 -1.26 0.18 118.70 126.04 1x6c s GLU 98 Ca 0.06 -0.38 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 1x6c s GLU 98 Cb -0.09 -3.47 0.21 0.00 0.26 0.00 0.00 34.13 31.04 1x6c s GLU 98 CO 0.02 -0.10 0.98 0.39 -0.54 0.00 0.00 175.26 176.00 1x6c n GLU 99 N 4.73 -1.74 0.09 4.30 1.02 0.18 -4.98 120.64 124.24 1x6c n GLU 99 Ca -0.15 -1.53 0.11 0.00 -0.02 0.00 0.00 57.16 55.57 1x6c n GLU 99 Cb 0.52 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -4.02 2.55 1.27 0.62 0.00 -1.26 -3.64 120.51 116.03 1x6c n ALA 100 Ca -0.17 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1x6c n ALA 100 Cb 0.46 -1.06 0.66 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.62 0.00 0.00 0.00 7.64 -1.26 -4.84 113.62 112.54 1x6c n SER 101 Ca -0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1x6c n SER 101 Cb 0.56 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.85 0.66 3.88 0.23 0.00 -1.24 -5.06 105.19 104.52 1x6c n GLY 102 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 3.49 0.17 4.61 0.00 -1.26 -4.85 121.76 121.57 1x6c s ALA 103 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1x6c s ALA 103 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1x6c s ALA 103 CO 0.00 0.30 0.19 -0.06 0.00 0.00 0.00 175.76 176.19 1x6c s PHE 104 N -2.04 3.24 0.06 0.00 0.40 -1.26 0.49 117.98 118.87 1x6c s PHE 104 Ca 0.48 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.86 1x6c s PHE 104 Cb -0.11 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1x6c s PHE 104 CO 0.25 0.52 -0.13 0.08 0.70 0.00 0.00 175.22 176.64 1x6c s VAL 105 N -1.80 0.99 0.05 -0.44 1.01 0.48 -4.89 120.40 115.80 1x6c s VAL 105 Ca 0.32 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1x6c s VAL 105 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1x6c s VAL 105 CO 0.25 -0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 174.73 1x6c s TYR 106 N -1.22 0.83 -0.75 5.22 2.02 -1.26 0.15 117.35 122.35 1x6c s TYR 106 Ca -0.03 -0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 1x6c s TYR 106 Cb -0.10 -0.48 0.17 0.00 -0.40 0.00 0.00 41.96 41.15 1x6c s TYR 106 CO 0.02 -0.04 0.75 -0.51 -1.57 0.00 0.00 175.55 174.20 1x6c s LEU 107 N -1.55 6.24 -0.09 -1.29 1.02 -1.26 -4.45 118.68 117.30 1x6c s LEU 107 Ca -0.07 -2.25 -0.27 0.00 0.02 0.00 0.00 54.13 51.56 1x6c s LEU 107 Cb -0.10 -2.25 -0.23 0.00 0.02 0.00 0.00 46.19 43.64 1x6c s LEU 107 CO 0.01 -0.77 0.96 0.03 0.02 0.00 0.00 176.35 176.60 1x6c h ARG 108 N 8.34 -0.01 -3.02 1.70 3.08 -1.32 -3.45 114.38 119.70 1x6c h ARG 108 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1x6c h ARG 108 Cb 1.06 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.89 1x6c h ARG 108 CO 0.91 0.73 -0.31 1.14 -1.07 0.00 0.00 179.97 181.37 1x6c s GLN 109 N -3.09 0.56 1.00 0.04 -2.07 -1.02 -5.07 119.66 110.01 1x6c s GLN 109 Ca -0.17 0.02 -0.15 0.00 -1.82 0.00 0.00 55.36 53.24 1x6c s GLN 109 Cb -0.01 0.25 0.19 0.00 -1.09 0.00 0.00 33.01 32.36 1x6c s GLN 109 CO 0.66 -0.13 1.18 -1.25 -1.32 0.00 0.00 175.29 174.43 1x6c s PRO 110 N -0.81 0.40 0.01 9.60 0.04 -1.26 -2.41 135.00 140.57 1x6c s PRO 110 Ca -0.09 0.01 0.01 0.00 0.04 0.00 0.00 61.00 60.97 1x6c s PRO 110 Cb -0.04 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1x6c s PRO 110 CO 0.03 -2.64 0.03 -0.47 0.04 0.00 0.00 177.00 173.99 1x6c s TYR 111 N -3.38 3.15 0.08 0.56 5.04 -0.02 -4.75 117.35 118.04 1x6c s TYR 111 Ca 0.68 0.12 0.07 0.00 -2.44 0.00 0.00 57.07 55.50 1x6c s TYR 111 Cb -0.10 -1.68 -0.03 0.00 0.35 0.00 0.00 41.96 40.49 1x6c s TYR 111 CO 0.54 0.50 -0.19 0.71 -1.34 0.00 0.00 175.55 175.76 1x6c s TYR 112 N -1.16 1.65 0.19 4.97 1.51 -1.26 -4.80 117.35 118.46 1x6c s TYR 112 Ca 0.22 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1x6c s TYR 112 Cb -0.12 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1x6c s TYR 112 CO 0.13 0.15 -0.01 -1.54 -1.11 0.00 0.00 175.55 173.17 1x6c s SER 113 N -1.70 4.69 -0.39 2.29 1.04 -1.26 -5.10 113.70 113.27 1x6c s SER 113 Ca 0.05 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1x6c s SER 113 Cb -0.10 -0.96 0.16 0.00 0.10 0.00 0.00 66.02 65.22 1x6c s SER 113 CO 0.03 0.07 0.31 -0.83 0.98 0.00 0.00 173.24 173.80 1x6c s GLY 114 N -3.09 0.78 0.29 7.32 0.00 -1.26 -5.13 107.32 106.23 1x6c s GLY 114 Ca 0.28 -1.93 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 1x6c s GLY 114 CO 0.19 2.26 1.08 2.56 0.00 0.00 0.00 173.10 179.19 1x6c s PRO 115 N 0.69 4.61 -0.08 2.90 0.04 -1.26 -4.99 135.00 136.92 1x6c s PRO 115 Ca 0.25 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 1x6c s PRO 115 Cb -0.10 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1x6c s PRO 115 CO -0.08 0.21 -0.16 0.45 0.04 0.00 0.00 177.00 177.45 1x6c n SER 116 N 1.08 0.97 -4.92 6.66 2.88 -1.26 -5.02 113.62 114.01 1x6c n SER 116 Ca -0.01 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.44 1x6c n SER 116 Cb 0.45 -0.57 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 1x6c n SER 116 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x6c s SER 117 N -5.08 6.32 0.00 -3.46 0.01 -1.26 -5.38 113.70 104.86 1x6c s SER 117 Ca -0.13 0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.83 1x6c s SER 117 Cb 0.02 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 64.15 1x6c s SER 117 CO 0.20 -0.36 0.62 0.61 0.41 0.00 0.00 173.24 174.71