#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 0.70 -0.03 1.61 2.88 -1.26 -4.94 113.62 112.58 1x6c n SER 2 Ca 0.00 0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1x6c n SER 2 Cb 0.00 -0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 1x6c n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6c n SER 3 N -2.95 0.57 -4.49 -3.46 2.88 -1.26 -5.07 113.62 99.85 1x6c n SER 3 Ca -0.01 0.09 -0.27 0.00 -1.33 0.00 0.00 58.87 57.35 1x6c n SER 3 Cb 0.51 -0.23 0.14 0.00 -0.75 0.00 0.00 64.21 63.88 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 -5.03 1.75 0.05 0.46 0.00 -1.26 -4.97 107.32 98.32 1x6c s GLY 4 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1x6c s GLY 4 CO 0.12 -0.67 0.00 -1.26 0.00 0.00 0.00 173.10 171.29 1x6c n SER 5 N -3.29 -0.45 -4.83 1.64 2.88 -1.26 -4.59 113.62 103.73 1x6c n SER 5 Ca 0.13 0.44 -0.32 0.00 -1.33 0.00 0.00 58.87 57.80 1x6c n SER 5 Cb 0.60 0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 64.82 1x6c n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6c s SER 6 N -1.80 6.29 -0.08 -3.46 1.04 -1.26 -4.97 113.70 109.47 1x6c s SER 6 Ca 0.00 1.67 0.03 0.00 0.48 0.00 0.00 55.95 58.13 1x6c s SER 6 Cb 0.00 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.69 1x6c s SER 6 CO 0.00 -0.81 0.78 0.61 0.98 0.00 0.00 173.24 174.80 1x6c n GLY 7 N -1.34 0.34 0.04 7.32 0.00 -1.26 -4.94 105.19 105.35 1x6c n GLY 7 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.35 0.00 -1.54 1.61 4.27 -1.26 -4.92 117.44 115.25 1x6c n TRP 8 Ca -0.14 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.04 1x6c n TRP 8 Cb 0.59 -0.55 -0.05 0.00 -1.36 0.00 0.00 31.31 29.95 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 -2.31 1.64 0.06 -2.67 9.36 -1.25 -3.48 117.16 118.51 1x6c n TYR 9 Ca -0.15 0.08 -0.07 0.00 3.32 0.00 0.00 57.90 61.08 1x6c n TYR 9 Cb 0.72 -2.63 -0.11 0.00 -0.63 0.00 0.00 39.34 36.69 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 15.49 0.02 0.00 2.98 3.86 -1.10 -3.49 115.15 132.93 1x6c h HIS 10 Ca -0.31 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1x6c h HIS 10 Cb 1.27 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1x6c h HIS 10 CO 0.96 1.00 0.00 0.41 0.86 0.00 0.00 177.93 181.16 1x6c n GLY 11 N 1.33 0.64 3.45 2.45 0.00 -1.26 -4.83 105.19 106.98 1x6c n GLY 11 Ca -0.00 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 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 3.08 -0.05 1.61 2.46 -1.26 0.15 115.29 121.27 1x6c s HIS 12 Ca 0.00 -1.33 0.03 0.00 0.47 0.00 0.00 55.06 54.23 1x6c s HIS 12 Cb 0.00 -4.29 -0.03 0.00 -0.13 0.00 0.00 32.58 28.13 1x6c s HIS 12 CO 0.00 -1.51 -0.12 1.41 -2.47 0.00 0.00 174.74 172.05 1x6c s MET 13 N 2.83 2.55 -0.12 2.88 0.00 -1.26 -4.98 119.30 121.20 1x6c s MET 13 Ca 0.32 -0.67 -0.26 0.00 0.00 0.00 0.00 55.69 55.09 1x6c s MET 13 Cb -0.05 -2.43 -0.02 0.00 0.00 0.00 0.00 34.83 32.33 1x6c s MET 13 CO -0.08 0.63 0.85 -1.12 0.00 0.00 0.00 175.02 175.30 1x6c s SER 14 N -0.77 7.05 0.09 1.11 0.01 -1.26 -4.73 113.70 115.19 1x6c s SER 14 Ca 0.12 1.28 -0.17 0.00 1.31 0.00 0.00 55.95 58.49 1x6c s SER 14 Cb -0.11 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1x6c s SER 14 CO 0.01 -0.33 1.23 0.61 0.41 0.00 0.00 173.24 175.17 1x6c n GLY 15 N 3.27 -2.63 0.52 3.44 0.00 -1.26 0.19 105.19 108.73 1x6c n GLY 15 Ca 0.04 0.88 0.36 0.00 0.00 0.00 0.00 46.02 47.30 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 0.48 0.27 -0.02 0.00 -2.00 -1.03 103.07 100.77 1x6c h GLY 16 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1x6c h GLY 16 CO -0.52 -0.10 -0.13 -1.61 0.00 0.00 0.00 176.54 174.18 1x6c h GLN 17 N 0.10 -0.35 -0.89 4.80 4.15 0.18 -2.94 115.11 120.15 1x6c h GLN 17 Ca 0.68 0.02 0.16 0.00 0.77 0.00 0.00 58.65 60.28 1x6c h GLN 17 Cb 2.41 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 30.02 1x6c h GLN 17 CO -0.14 -0.23 -0.29 0.00 -1.93 0.00 0.00 178.83 176.24 1x6c n ALA 18 N -2.36 0.05 -0.21 3.38 0.00 -0.25 0.18 120.51 121.29 1x6c n ALA 18 Ca -0.05 0.94 -0.00 0.00 0.00 0.00 0.00 53.44 54.33 1x6c n ALA 18 Cb 0.14 -0.49 0.07 0.00 0.00 0.00 0.00 19.45 19.17 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 0.02 -0.26 0.00 5.08 -1.39 1.28 114.58 119.31 1x6c h GLU 19 Ca 0.37 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1x6c h GLU 19 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1x6c h GLU 19 CO -0.90 0.01 -0.47 1.15 -1.00 0.00 0.00 179.01 177.80 1x6c h THR 20 N 0.02 1.29 0.59 1.13 2.02 0.20 -2.25 112.91 115.92 1x6c h THR 20 Ca 0.31 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1x6c h THR 20 Cb 0.48 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1x6c h THR 20 CO -0.62 0.54 -0.38 -0.07 0.37 0.00 0.00 175.52 175.35 1x6c h LEU 21 N 0.52 -0.98 -1.08 2.58 4.07 0.29 1.56 115.31 122.28 1x6c h LEU 21 Ca 0.01 0.06 0.18 0.00 0.08 0.00 0.00 57.88 58.22 1x6c h LEU 21 Cb 1.08 0.29 -0.10 0.00 1.08 0.00 0.00 40.66 43.01 1x6c h LEU 21 CO 0.11 -0.59 0.61 -0.07 -1.08 0.00 0.00 178.44 177.42 1x6c h LEU 22 N -0.93 0.75 -0.09 1.67 3.38 0.15 -0.20 115.31 120.04 1x6c h LEU 22 Ca -0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1x6c h LEU 22 Cb 0.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1x6c h LEU 22 CO 0.06 0.29 -0.11 1.56 0.09 0.00 0.00 178.44 180.32 1x6c h GLN 23 N 0.75 0.23 -1.08 1.13 4.20 -0.72 -0.98 115.11 118.64 1x6c h GLN 23 Ca 0.56 -0.13 0.33 0.00 0.06 0.00 0.00 58.65 59.47 1x6c h GLN 23 Cb 0.89 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.55 1x6c h GLN 23 CO -0.34 0.69 0.65 0.00 -0.67 0.00 0.00 178.83 179.16 1x6c h ALA 24 N 0.54 2.17 0.07 3.87 0.00 0.40 0.52 119.26 126.83 1x6c h ALA 24 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x6c h ALA 24 Cb 0.66 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x6c h ALA 24 CO 0.03 -0.73 -0.03 -0.22 0.00 0.00 0.00 179.25 178.29 1x6c h LYS 25 N 0.30 -0.09 0.00 0.00 1.63 -1.21 -3.48 116.57 113.72 1x6c h LYS 25 Ca 0.72 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.53 1x6c h LYS 25 Cb 1.81 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.46 1x6c h LYS 25 CO -0.50 0.38 0.00 0.41 -3.45 0.00 0.00 179.45 176.29 1x6c n GLY 26 N 1.25 1.27 3.63 5.01 0.00 0.17 -5.00 105.19 111.52 1x6c n GLY 26 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 2.29 -2.47 1.61 1.02 -1.26 -4.92 120.64 114.91 1x6c n GLU 27 Ca 0.00 0.78 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 1x6c n GLU 27 Cb 0.00 -2.91 -0.03 0.00 -0.02 0.00 0.00 31.44 28.48 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 4.96 4.50 -0.35 3.49 0.04 -1.26 -3.10 135.00 143.28 1x6c s PRO 28 Ca 0.95 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.70 1x6c s PRO 28 Cb -0.53 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1x6c s PRO 28 CO 0.44 -0.12 0.29 0.91 0.04 0.00 0.00 177.00 178.56 1x6c n TRP 29 N 3.34 -0.72 -3.69 0.56 5.03 0.38 -4.80 117.44 117.54 1x6c n TRP 29 Ca 0.06 0.25 -0.38 0.00 3.03 0.00 0.00 57.50 60.47 1x6c n TRP 29 Cb 0.47 -2.02 -0.12 0.00 -1.03 0.00 0.00 31.31 28.61 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 -3.06 4.49 0.40 -0.99 2.01 -1.10 -1.06 115.64 116.33 1x6c s THR 30 Ca 0.15 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1x6c s THR 30 Cb -0.06 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1x6c s THR 30 CO 0.18 0.15 0.34 0.72 -0.69 0.00 0.00 174.62 175.31 1x6c s PHE 31 N 1.61 2.74 -0.28 4.92 -0.71 -0.97 0.10 117.98 125.39 1x6c s PHE 31 Ca 0.05 -0.45 -0.25 0.00 -1.04 0.00 0.00 56.93 55.24 1x6c s PHE 31 Cb -0.17 -2.06 0.11 0.00 -1.21 0.00 0.00 43.02 39.70 1x6c s PHE 31 CO 0.05 -0.02 0.98 -0.48 -1.34 0.00 0.00 175.22 174.41 1x6c s LEU 32 N -4.08 -0.51 -0.13 -1.99 0.05 -0.72 -0.44 118.68 110.87 1x6c s LEU 32 Ca 0.46 0.97 -0.13 0.00 0.05 0.00 0.00 54.13 55.47 1x6c s LEU 32 Cb -0.03 1.97 -0.05 0.00 -2.05 0.00 0.00 46.19 46.03 1x6c s LEU 32 CO 0.27 -0.17 0.30 -0.69 -0.55 0.00 0.00 176.35 175.51 1x6c s VAL 33 N 0.31 5.28 -0.01 1.48 1.01 -1.23 -2.56 120.40 124.70 1x6c s VAL 33 Ca 0.02 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1x6c s VAL 33 Cb -0.05 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1x6c s VAL 33 CO -0.06 0.45 0.16 0.00 0.00 0.00 0.00 175.10 175.65 1x6c s ARG 34 N 0.05 0.47 0.23 2.72 1.70 -0.49 -0.41 118.95 123.21 1x6c s ARG 34 Ca 0.18 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 1x6c s ARG 34 Cb -0.13 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.36 1x6c s ARG 34 CO 0.05 -0.11 1.14 -2.00 -1.08 0.00 0.00 175.30 173.30 1x6c s GLU 35 N -1.19 4.57 -0.03 3.89 2.12 0.39 0.61 118.70 129.06 1x6c s GLU 35 Ca -0.13 1.83 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 1x6c s GLU 35 Cb -0.07 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1x6c s GLU 35 CO 0.02 0.07 1.17 0.45 -0.54 0.00 0.00 175.26 176.43 1x6c s SER 36 N -0.37 7.09 -0.02 -1.70 0.15 -1.10 -4.19 113.70 113.56 1x6c s SER 36 Ca 0.48 1.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.89 1x6c s SER 36 Cb -0.32 -2.56 -0.29 0.00 -1.71 0.00 0.00 66.02 61.13 1x6c s SER 36 CO 0.39 -0.53 0.78 -0.07 1.20 0.00 0.00 173.24 175.01 1x6c h LEU 37 N 7.76 0.51 -0.57 3.45 4.07 -1.92 -3.28 115.31 125.35 1x6c h LEU 37 Ca -0.36 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 56.87 1x6c h LEU 37 Cb 1.18 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1x6c h LEU 37 CO 0.85 1.61 0.00 0.28 -1.08 0.00 0.00 178.44 180.10 1x6c h SER 38 N 0.09 0.00 -3.20 -0.43 0.02 -1.98 -3.40 113.55 104.65 1x6c h SER 38 Ca -0.29 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.12 1x6c h SER 38 Cb 2.06 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.20 1x6c h SER 38 CO 0.18 0.00 -0.76 -1.10 -1.14 0.00 0.00 176.83 174.00 1x6c s GLN 39 N -3.34 0.67 -0.32 3.45 1.11 -1.24 -5.10 119.66 114.89 1x6c s GLN 39 Ca 0.05 -0.66 -0.29 0.00 0.01 0.00 0.00 55.36 54.47 1x6c s GLN 39 Cb 0.08 -2.00 0.00 0.00 -1.01 0.00 0.00 33.01 30.08 1x6c s GLN 39 CO 0.57 -0.78 1.36 -1.25 0.01 0.00 0.00 175.29 175.20 1x6c s PRO 40 N 1.79 3.82 0.00 2.91 0.04 -1.26 -2.93 135.00 139.37 1x6c s PRO 40 Ca 0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1x6c s PRO 40 Cb -0.17 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1x6c s PRO 40 CO -0.16 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1x6c n GLY 41 N 4.54 2.57 2.32 0.56 0.00 -1.26 -5.08 105.19 108.84 1x6c n GLY 41 Ca 0.16 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 0.08 -0.08 -3.90 1.61 9.92 -1.15 -4.90 116.55 118.13 1x6c n ASP 42 Ca 0.00 -1.26 -0.09 0.00 -0.53 0.00 0.00 54.79 52.91 1x6c n ASP 42 Cb 0.00 -0.62 -0.07 0.00 -0.64 0.00 0.00 41.12 39.79 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1x6c s PHE 43 N -2.72 0.24 0.08 1.24 0.40 -1.23 -2.72 117.98 113.28 1x6c s PHE 43 Ca 0.45 -0.66 0.10 0.00 -0.60 0.00 0.00 56.93 56.23 1x6c s PHE 43 Cb -0.01 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.41 1x6c s PHE 43 CO 0.32 -0.59 -0.27 0.08 0.70 0.00 0.00 175.22 175.47 1x6c s VAL 44 N -3.90 2.20 -0.37 -0.44 1.01 0.20 -1.12 120.40 117.99 1x6c s VAL 44 Ca 0.09 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.55 1x6c s VAL 44 Cb 0.05 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.63 1x6c s VAL 44 CO -0.08 0.26 0.13 -0.22 0.00 0.00 0.00 175.10 175.19 1x6c s LEU 45 N -1.57 3.17 -0.22 3.92 2.96 -0.95 -1.39 118.68 124.61 1x6c s LEU 45 Ca 0.13 -2.12 -0.20 0.00 -0.22 0.00 0.00 54.13 51.72 1x6c s LEU 45 Cb -0.10 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 1x6c s LEU 45 CO 0.04 -0.36 0.60 -0.44 -1.32 0.00 0.00 176.35 174.87 1x6c s SER 46 N 0.98 6.61 -0.05 3.68 0.01 -1.06 0.20 113.70 124.06 1x6c s SER 46 Ca 0.13 0.74 0.06 0.00 1.31 0.00 0.00 55.95 58.18 1x6c s SER 46 Cb -0.20 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1x6c s SER 46 CO -0.13 -0.28 -0.24 -0.69 0.41 0.00 0.00 173.24 172.31 1x6c s VAL 47 N 2.06 1.99 -0.06 3.43 1.01 0.38 -1.76 120.40 127.46 1x6c s VAL 47 Ca 0.26 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1x6c s VAL 47 Cb -0.16 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1x6c s VAL 47 CO 0.10 0.56 0.67 -0.22 0.00 0.00 0.00 175.10 176.20 1x6c s LEU 48 N -0.19 4.33 0.42 3.92 2.96 0.29 -0.92 118.68 129.48 1x6c s LEU 48 Ca -0.02 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1x6c s LEU 48 Cb -0.13 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1x6c s LEU 48 CO 0.03 -0.07 0.63 -0.94 -1.32 0.00 0.00 176.35 174.68 1x6c s SER 49 N 0.61 5.98 -0.24 3.68 1.04 -1.08 0.14 113.70 123.83 1x6c s SER 49 Ca 0.36 0.33 0.09 0.00 0.48 0.00 0.00 55.95 57.20 1x6c s SER 49 Cb -0.18 -1.67 0.64 0.00 0.10 0.00 0.00 66.02 64.91 1x6c s SER 49 CO 0.18 -0.57 1.59 -0.90 0.98 0.00 0.00 173.24 174.51 1x6c n ASP 50 N -1.98 4.54 -4.15 7.02 5.75 -1.26 -4.48 116.55 121.98 1x6c n ASP 50 Ca -0.00 -2.92 -0.34 0.00 -0.01 0.00 0.00 54.79 51.52 1x6c n ASP 50 Cb 0.57 -0.69 -0.15 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.52 2.60 0.88 0.11 -0.21 -1.26 -5.08 119.66 114.18 1x6c s GLN 51 Ca 0.45 -1.13 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 1x6c s GLN 51 Cb 0.36 -2.96 0.12 0.00 1.00 0.00 0.00 33.01 31.52 1x6c s GLN 51 CO 0.12 -0.47 1.13 -1.25 -2.12 0.00 0.00 175.29 172.69 1x6c s PRO 52 N 1.24 1.43 -0.22 2.91 0.04 -1.26 -2.18 135.00 136.96 1x6c s PRO 52 Ca -0.03 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 1x6c s PRO 52 Cb -0.18 -1.86 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 1x6c s PRO 52 CO -0.05 -2.02 -0.05 1.63 0.04 0.00 0.00 177.00 176.55 1x6c n LYS 53 N -3.66 0.68 -1.38 4.56 5.02 -1.17 -4.48 118.16 117.72 1x6c n LYS 53 Ca 0.07 0.19 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 1x6c n LYS 53 Cb 0.58 -1.58 0.11 0.00 -0.02 0.00 0.00 35.03 34.12 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 -3.22 3.91 -0.70 7.82 0.00 -1.26 -5.09 120.51 121.97 1x6c n ALA 54 Ca -0.42 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1x6c n ALA 54 Cb 1.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.76 2.42 3.74 0.00 0.00 -1.26 -4.48 105.19 104.84 1x6c n GLY 55 Ca 0.25 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 4.59 0.00 1.61 0.04 -1.26 -2.92 135.00 137.06 1x6c s PRO 56 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1x6c s PRO 56 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x6c s PRO 56 CO 0.00 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1x6c n GLY 57 N 1.94 0.65 3.66 0.56 0.00 -1.26 -5.05 105.19 105.68 1x6c n GLY 57 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.53 4.78 0.51 1.61 1.04 -1.15 -5.05 113.70 112.91 1x6c s SER 58 Ca 0.00 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.88 1x6c s SER 58 Cb 0.00 -1.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.02 1x6c s SER 58 CO 0.00 0.11 1.04 -2.16 0.98 0.00 0.00 173.24 173.21 1x6c s PRO 59 N -2.79 3.70 -0.00 4.02 0.04 -1.26 -4.72 135.00 133.99 1x6c s PRO 59 Ca 0.27 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 1x6c s PRO 59 Cb -0.10 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1x6c s PRO 59 CO 0.18 -0.51 0.90 -0.51 0.04 0.00 0.00 177.00 177.10 1x6c s LEU 60 N -3.74 4.38 0.72 -3.56 1.43 -1.26 -3.03 118.68 113.61 1x6c s LEU 60 Ca 0.66 1.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.14 1x6c s LEU 60 Cb -0.16 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1x6c s LEU 60 CO 0.24 -0.19 0.09 0.54 0.23 0.00 0.00 176.35 177.26 1x6c n ARG 61 N 3.68 0.14 -4.27 1.70 1.74 -0.92 -4.69 116.66 114.03 1x6c n ARG 61 Ca 0.03 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 1x6c n ARG 61 Cb 0.51 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.97 3.20 -0.10 1.55 1.01 -1.26 -2.62 120.40 120.21 1x6c s VAL 62 Ca 0.58 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1x6c s VAL 62 Cb -0.36 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1x6c s VAL 62 CO 0.65 0.12 -0.05 -0.89 0.00 0.00 0.00 175.10 174.93 1x6c s THR 63 N -1.18 0.84 -0.28 3.92 2.01 -0.10 -4.98 115.64 115.87 1x6c s THR 63 Ca 0.20 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 1x6c s THR 63 Cb -0.11 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1x6c s THR 63 CO 0.12 0.34 0.15 -1.00 -0.69 0.00 0.00 174.62 173.54 1x6c s HIS 64 N 1.76 3.17 -0.77 4.92 3.76 -1.26 0.14 115.29 127.02 1x6c s HIS 64 Ca 0.05 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1x6c s HIS 64 Cb -0.12 -2.34 0.19 0.00 1.11 0.00 0.00 32.58 31.42 1x6c s HIS 64 CO -0.07 -0.31 0.72 0.42 -0.85 0.00 0.00 174.74 174.65 1x6c s ILE 65 N 1.68 5.48 0.48 0.60 1.09 0.52 -4.86 121.20 126.19 1x6c s ILE 65 Ca 0.06 -2.20 -0.23 0.00 -1.10 0.00 0.00 60.65 57.19 1x6c s ILE 65 Cb -0.16 -4.45 -0.09 0.00 -1.06 0.00 0.00 42.46 36.70 1x6c s ILE 65 CO 0.08 -1.02 1.04 0.29 -0.10 0.00 0.00 174.94 175.23 1x6c n LYS 66 N 4.39 1.31 -4.22 2.79 4.01 -1.26 -2.23 118.16 122.95 1x6c n LYS 66 Ca 0.08 0.48 -0.33 0.00 -0.51 0.00 0.00 58.31 58.03 1x6c n LYS 66 Cb 0.45 -2.14 -0.16 0.00 -0.51 0.00 0.00 35.03 32.67 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 -1.34 2.17 -0.27 -0.18 1.01 -0.27 -4.28 120.40 117.24 1x6c s VAL 67 Ca 0.67 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1x6c s VAL 67 Cb -0.50 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1x6c s VAL 67 CO 0.54 0.53 0.45 -0.04 0.00 0.00 0.00 175.10 176.58 1x6c s MET 68 N 1.20 4.02 -0.66 2.72 -1.94 0.39 -3.54 119.30 121.50 1x6c s MET 68 Ca 0.03 0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 54.01 1x6c s MET 68 Cb -0.14 -3.66 0.14 0.00 2.01 0.00 0.00 34.83 33.18 1x6c s MET 68 CO -0.10 -0.33 0.70 0.00 -0.01 0.00 0.00 175.02 175.29 1x6c s GLU 70 N 1.91 2.31 -1.34 0.00 2.02 0.14 -4.71 118.70 119.01 1x6c s GLU 70 Ca 0.13 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.46 1x6c s GLU 70 Cb -0.21 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 31.99 1x6c s GLU 70 CO 0.01 -0.16 1.01 0.41 0.02 0.00 0.00 175.26 176.56 1x6c n GLY 71 N 4.51 -0.48 2.56 -1.39 0.00 -1.26 -0.93 105.19 108.20 1x6c n GLY 71 Ca -0.18 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.85 0.62 3.42 -0.02 0.00 -1.26 -4.97 105.19 101.12 1x6c n GLY 72 Ca -0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.95 2.51 -0.07 1.61 0.52 -0.11 -4.69 118.95 116.78 1x6c s ARG 73 Ca 0.00 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.39 1x6c s ARG 73 Cb 0.00 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1x6c s ARG 73 CO 0.00 0.55 0.19 0.71 0.02 0.00 0.00 175.30 176.77 1x6c s TYR 74 N -0.56 3.59 -0.13 -0.53 2.02 -0.21 0.24 117.35 121.78 1x6c s TYR 74 Ca 0.08 0.52 -0.21 0.00 -0.37 0.00 0.00 57.07 57.09 1x6c s TYR 74 Cb -0.11 -1.94 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1x6c s TYR 74 CO 0.01 0.69 0.54 -0.08 -1.57 0.00 0.00 175.55 175.14 1x6c s THR 75 N -1.15 0.01 -2.13 -0.71 -1.32 -0.20 -1.65 115.64 108.49 1x6c s THR 75 Ca 0.21 -0.10 0.16 0.00 -1.21 0.00 0.00 61.69 60.74 1x6c s THR 75 Cb -0.13 -0.80 0.38 0.00 -1.51 0.00 0.00 72.50 70.45 1x6c s THR 75 CO 0.10 -0.05 1.42 1.33 -2.21 0.00 0.00 174.62 175.21 1x6c n VAL 76 N 1.98 0.28 0.00 5.08 0.24 -1.26 0.15 118.33 124.80 1x6c n VAL 76 Ca -0.17 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1x6c n VAL 76 Cb 0.56 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 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 1.04 1.17 4.03 7.63 0.00 -1.26 -4.85 105.19 112.95 1x6c n GLY 77 Ca 0.13 0.00 -0.19 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 -1.18 1.79 0.17 -0.02 0.00 -1.26 -5.02 107.32 101.81 1x6c s GLY 78 Ca 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 44.72 42.63 1x6c s GLY 78 CO 0.00 -1.63 1.54 1.41 0.00 0.00 0.00 173.10 174.42 1x6c h LEU 79 N 0.31 0.90-10.10 0.66 3.38 -2.01 -3.44 115.31 105.01 1x6c h LEU 79 Ca -0.33 -0.38 -0.54 0.00 0.09 0.00 0.00 57.88 56.72 1x6c h LEU 79 Cb 1.29 -0.25 0.13 0.00 0.09 0.00 0.00 40.66 41.92 1x6c h LEU 79 CO 0.42 1.14 0.49 -1.61 0.09 0.00 0.00 178.44 178.97 1x6c s GLU 80 N -4.47 2.77 0.17 1.13 8.01 -1.26 -5.03 118.70 120.01 1x6c s GLU 80 Ca -0.10 1.93 0.03 0.00 0.01 0.00 0.00 54.97 56.84 1x6c s GLU 80 Cb 0.12 -1.89 -0.01 0.00 -4.31 0.00 0.00 34.13 28.04 1x6c s GLU 80 CO 0.86 -1.40 0.11 0.25 0.01 0.00 0.00 175.26 175.10 1x6c n THR 81 N -1.75 0.00 -3.52 3.63 -2.24 -1.26 -4.67 114.28 104.47 1x6c n THR 81 Ca 0.15 -1.15 -0.15 0.00 -2.27 0.00 0.00 64.05 60.63 1x6c n THR 81 Cb 0.49 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.53 -0.52 -0.07 4.78 0.08 -0.66 -4.91 117.98 114.14 1x6c s PHE 82 Ca 0.16 0.62 0.05 0.00 0.12 0.00 0.00 56.93 57.88 1x6c s PHE 82 Cb 0.01 0.42 -0.24 0.00 -0.57 0.00 0.00 43.02 42.63 1x6c s PHE 82 CO 0.11 -0.69 0.55 -0.25 -0.10 0.00 0.00 175.22 174.84 1x6c n ASP 83 N 0.33 1.35 -4.16 1.36 8.00 -1.26 -1.04 116.55 121.13 1x6c n ASP 83 Ca -0.18 0.34 -0.18 0.00 0.71 0.00 0.00 54.79 55.48 1x6c n ASP 83 Cb 0.61 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 -6.45 1.59 0.51 -2.24 0.01 -1.26 -4.86 113.70 101.00 1x6c s SER 84 Ca -0.11 -0.60 0.20 0.00 1.31 0.00 0.00 55.95 56.74 1x6c s SER 84 Cb 0.07 -0.04 1.28 0.00 0.21 0.00 0.00 66.02 67.54 1x6c s SER 84 CO 0.80 -0.09 2.05 -0.07 0.41 0.00 0.00 173.24 176.35 1x6c h LEU 85 N 4.33 0.07 -0.12 2.44 -0.00 -1.99 -0.95 115.31 119.09 1x6c h LEU 85 Ca -0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1x6c h LEU 85 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1x6c h LEU 85 CO 0.40 0.04 0.07 0.74 -0.00 0.00 0.00 178.44 179.69 1x6c h THR 86 N 0.08 1.07 0.00 0.22 2.02 -1.98 0.86 112.91 115.19 1x6c h THR 86 Ca 0.16 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1x6c h THR 86 Cb 0.54 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1x6c h THR 86 CO -0.01 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.41 1x6c n ASP 87 N -4.97 0.49 -0.10 4.18 8.00 -0.42 0.19 116.55 123.92 1x6c n ASP 87 Ca -0.05 0.64 -0.20 0.00 0.71 0.00 0.00 54.79 55.89 1x6c n ASP 87 Cb 0.06 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 1x6c n ASP 87 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1x6c h LEU 88 N 0.00 0.00 -0.79 0.64 6.46 -0.46 -3.17 115.31 117.99 1x6c h LEU 88 Ca 0.00 -0.46 -0.08 0.00 -0.12 0.00 0.00 57.88 57.22 1x6c h LEU 88 Cb 0.26 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1x6c h LEU 88 CO 0.00 1.43 0.06 0.58 -0.62 0.00 0.00 178.44 179.89 1x6c h VAL 89 N -1.00 1.25 0.00 1.05 2.07 0.94 -0.75 116.25 119.82 1x6c h VAL 89 Ca -0.32 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1x6c h VAL 89 Cb 1.23 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1x6c h VAL 89 CO -0.19 0.38 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 1x6c n GLU 90 N -4.21 0.05 -0.09 1.57 -0.58 0.13 -0.29 120.64 117.21 1x6c n GLU 90 Ca 0.04 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.79 1x6c n GLU 90 Cb 0.30 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.58 1x6c n GLU 90 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x6c h HIS 91 N 0.00 0.00 -0.00 -0.32 2.76 -1.13 -3.36 115.15 113.09 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 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1x6c h HIS 91 CO 0.00 1.02 -0.05 1.19 -1.30 0.00 0.00 177.93 178.79 1x6c n PHE 92 N -4.52 0.00 0.26 5.26 3.72 -0.75 -3.13 117.46 118.31 1x6c n PHE 92 Ca -0.22 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1x6c n PHE 92 Cb 0.52 -0.33 0.65 0.00 -0.94 0.00 0.00 39.48 39.38 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 0.09 0.00 0.00 -1.08 1.57 -0.80 0.19 116.57 116.54 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1x6c h LYS 93 CO 0.00 0.00 -0.06 0.36 -0.57 0.00 0.00 179.45 179.18 1x6c n LYS 94 N -2.41 0.03 -0.27 3.15 2.85 -1.20 -4.34 118.16 115.97 1x6c n LYS 94 Ca -0.00 0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.41 1x6c n LYS 94 Cb 0.11 -0.38 0.42 0.00 -0.65 0.00 0.00 35.03 34.53 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 -0.06 0.77 0.00 0.58 1.35 -1.64 -3.48 112.91 110.43 1x6c h THR 95 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1x6c h THR 95 Cb 0.06 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 1x6c h THR 95 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1x6c n GLY 96 N -1.45 -2.17 3.26 5.82 0.00 0.66 -4.97 105.19 106.34 1x6c n GLY 96 Ca 0.19 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.27 1.47 -0.19 -0.61 1.01 0.13 -4.79 121.20 117.95 1x6c s ILE 97 Ca 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 60.65 58.97 1x6c s ILE 97 Cb 0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1x6c s ILE 97 CO 0.00 -0.28 -0.04 -0.70 0.00 0.00 0.00 174.94 173.92 1x6c s GLU 98 N -2.35 3.49 0.95 2.79 2.12 -1.26 0.19 118.70 124.63 1x6c s GLU 98 Ca 0.08 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.68 1x6c s GLU 98 Cb -0.07 -2.97 0.16 0.00 0.26 0.00 0.00 34.13 31.51 1x6c s GLU 98 CO 0.04 -0.02 1.17 -1.21 -0.54 0.00 0.00 175.26 174.70 1x6c s GLU 99 N 1.03 0.80 0.36 4.30 2.02 0.26 -4.95 118.70 122.53 1x6c s GLU 99 Ca 0.01 0.10 0.25 0.00 0.02 0.00 0.00 54.97 55.34 1x6c s GLU 99 Cb -0.15 -1.82 0.57 0.00 0.10 0.00 0.00 34.13 32.84 1x6c s GLU 99 CO 0.00 -2.39 1.69 0.00 0.02 0.00 0.00 175.26 174.58 1x6c h ALA 100 N -1.63 1.00 0.00 5.21 0.00 -2.00 -2.91 119.26 118.93 1x6c h ALA 100 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x6c h ALA 100 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x6c h ALA 100 CO 0.54 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.22 1x6c n SER 101 N -2.78 0.81 0.00 0.00 7.64 -1.26 -4.88 113.62 113.15 1x6c n SER 101 Ca 0.04 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1x6c n SER 101 Cb 0.48 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 1.04 0.42 3.83 0.23 0.00 -1.10 -5.08 105.19 104.53 1x6c n GLY 102 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 3.27 0.30 4.61 0.00 -1.26 -4.79 121.76 121.90 1x6c s ALA 103 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1x6c s ALA 103 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1x6c s ALA 103 CO 0.00 0.27 0.45 -0.06 0.00 0.00 0.00 175.76 176.42 1x6c s PHE 104 N -1.89 3.32 0.06 0.00 0.40 -1.26 0.93 117.98 119.54 1x6c s PHE 104 Ca 0.53 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 1x6c s PHE 104 Cb -0.12 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1x6c s PHE 104 CO 0.18 0.18 -0.05 0.08 0.70 0.00 0.00 175.22 176.31 1x6c s VAL 105 N -2.14 0.42 0.01 -0.44 1.01 0.50 -4.87 120.40 114.89 1x6c s VAL 105 Ca 0.40 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 1x6c s VAL 105 Cb -0.09 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1x6c s VAL 105 CO 0.31 -0.79 0.04 -0.31 0.00 0.00 0.00 175.10 174.36 1x6c s TYR 106 N -3.06 0.14 -0.86 5.22 2.02 -1.26 0.22 117.35 119.78 1x6c s TYR 106 Ca 0.03 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1x6c s TYR 106 Cb 0.02 -0.11 0.22 0.00 -0.40 0.00 0.00 41.96 41.69 1x6c s TYR 106 CO -0.05 -0.20 0.80 -0.51 -1.57 0.00 0.00 175.55 174.01 1x6c s LEU 107 N -1.24 6.63 -0.04 -1.29 1.02 -1.26 -4.46 118.68 118.04 1x6c s LEU 107 Ca -0.13 -2.83 -0.20 0.00 0.02 0.00 0.00 54.13 50.98 1x6c s LEU 107 Cb -0.08 -2.19 -0.14 0.00 0.02 0.00 0.00 46.19 43.80 1x6c s LEU 107 CO 0.00 -0.52 0.88 0.03 0.02 0.00 0.00 176.35 176.76 1x6c h ARG 108 N 7.57 -0.31 -3.85 1.70 3.08 -1.39 -3.44 114.38 117.74 1x6c h ARG 108 Ca 0.11 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 1x6c h ARG 108 Cb 1.01 0.07 -0.23 0.00 0.08 0.00 0.00 29.97 30.91 1x6c h ARG 108 CO 0.78 0.04 -0.68 1.14 -1.07 0.00 0.00 179.97 180.19 1x6c s GLN 109 N -3.60 0.26 1.03 0.04 -2.07 -1.11 -5.07 119.66 109.14 1x6c s GLN 109 Ca -0.12 -0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 52.83 1x6c s GLN 109 Cb 0.01 0.10 0.21 0.00 -1.09 0.00 0.00 33.01 32.24 1x6c s GLN 109 CO 0.43 -0.05 1.20 -1.25 -1.32 0.00 0.00 175.29 174.31 1x6c s PRO 110 N -1.09 0.11 -0.24 9.60 0.04 -1.26 -2.29 135.00 139.86 1x6c s PRO 110 Ca -0.12 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 60.72 1x6c s PRO 110 Cb -0.07 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1x6c s PRO 110 CO -0.00 -2.82 0.15 -0.47 0.04 0.00 0.00 177.00 173.89 1x6c s TYR 111 N -3.41 3.26 -0.45 0.56 5.04 0.41 -4.70 117.35 118.06 1x6c s TYR 111 Ca 0.70 0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 1x6c s TYR 111 Cb -0.09 -2.27 0.12 0.00 0.35 0.00 0.00 41.96 40.07 1x6c s TYR 111 CO 0.54 -0.02 0.25 0.71 -1.34 0.00 0.00 175.55 175.69 1x6c s TYR 112 N 1.20 3.55 0.53 4.97 1.51 -1.26 -4.81 117.35 123.04 1x6c s TYR 112 Ca 0.07 -2.45 -0.02 0.00 -1.01 0.00 0.00 57.07 53.66 1x6c s TYR 112 Cb -0.14 -3.23 0.01 0.00 -0.11 0.00 0.00 41.96 38.49 1x6c s TYR 112 CO 0.05 -0.95 0.78 0.45 -1.11 0.00 0.00 175.55 174.77 1x6c s SER 113 N 1.66 5.59 0.52 2.29 0.15 -1.26 -5.12 113.70 117.52 1x6c s SER 113 Ca 0.10 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1x6c s SER 113 Cb -0.23 -1.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 1x6c s SER 113 CO -0.04 -0.95 0.05 0.61 1.20 0.00 0.00 173.24 174.11 1x6c n GLY 114 N -2.33 3.47 0.08 9.45 0.00 -1.26 -5.07 105.19 109.53 1x6c n GLY 114 Ca 0.04 -2.37 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 0.11 -5.68 1.61 0.13 -2.08 -3.45 132.00 122.63 1x6c h PRO 115 Ca -0.42 -0.11 -0.54 0.00 -0.87 0.00 0.00 66.00 64.07 1x6c h PRO 115 Cb 1.29 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.17 1x6c h PRO 115 CO 0.69 0.83 -0.83 0.45 -0.23 0.00 0.00 178.00 178.91 1x6c s SER 116 N -6.15 2.06 -0.30 1.44 0.15 -1.26 -5.13 113.70 104.52 1x6c s SER 116 Ca -0.16 -0.37 -0.22 0.00 0.70 0.00 0.00 55.95 55.90 1x6c s SER 116 Cb 0.00 -0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.30 1x6c s SER 116 CO 0.72 0.18 1.35 -0.55 1.20 0.00 0.00 173.24 176.14 1x6c s SER 117 N -0.63 -0.09 0.00 5.45 0.15 -1.26 -5.22 113.70 112.10 1x6c s SER 117 Ca 0.06 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1x6c s SER 117 Cb -0.07 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x6c s SER 117 CO -0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02