#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 5.76 -0.42 1.61 0.01 -1.26 -5.05 113.70 114.36 1x6c s SER 2 Ca 0.00 -1.07 -0.21 0.00 1.31 0.00 0.00 55.95 55.98 1x6c s SER 2 Cb 0.00 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.21 1x6c s SER 2 CO 0.00 -0.42 0.64 -0.55 0.41 0.00 0.00 173.24 173.32 1x6c s SER 3 N 1.66 6.35 0.19 2.44 0.15 -1.26 -5.01 113.70 118.22 1x6c s SER 3 Ca 0.02 -0.22 -0.32 0.00 0.70 0.00 0.00 55.95 56.13 1x6c s SER 3 Cb -0.20 -2.32 -0.15 0.00 -1.71 0.00 0.00 66.02 61.64 1x6c s SER 3 CO 0.06 -0.73 1.27 0.61 1.20 0.00 0.00 173.24 175.66 1x6c n GLY 4 N 4.95 0.37 2.46 9.45 0.00 -1.26 -4.96 105.19 116.20 1x6c n GLY 4 Ca -0.02 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1x6c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6c s SER 5 N 0.15 2.54 -0.35 1.61 0.01 -1.26 -4.97 113.70 111.43 1x6c s SER 5 Ca 0.72 -2.50 -0.15 0.00 1.31 0.00 0.00 55.95 55.33 1x6c s SER 5 Cb -0.78 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1x6c s SER 5 CO 0.51 -0.26 0.39 -1.54 0.41 0.00 0.00 173.24 172.75 1x6c n SER 6 N 3.62 -7.29 -3.12 2.44 3.41 -1.26 -4.97 113.62 106.45 1x6c n SER 6 Ca 0.17 0.60 -0.24 0.00 -0.26 0.00 0.00 58.87 59.15 1x6c n SER 6 Cb 0.40 -4.13 -0.05 0.00 -0.26 0.00 0.00 64.21 60.18 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 0.17 4.49 0.06 5.00 0.00 -1.26 -4.77 105.19 108.88 1x6c n GLY 7 Ca 0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 46.02 43.74 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 0.28 0.00 -1.54 1.61 4.27 -1.26 -4.69 117.44 116.10 1x6c n TRP 8 Ca 0.28 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.50 1x6c n TRP 8 Cb 0.50 -0.70 -0.05 0.00 -1.36 0.00 0.00 31.31 29.71 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 -2.48 1.44 0.16 -2.67 9.36 -1.25 -3.25 117.16 118.47 1x6c n TYR 9 Ca -0.21 0.12 0.05 0.00 3.32 0.00 0.00 57.90 61.17 1x6c n TYR 9 Cb 0.90 -2.62 0.08 0.00 -0.63 0.00 0.00 39.34 37.07 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 17.44 0.00 0.00 2.98 3.86 -1.09 -3.49 115.15 134.85 1x6c h HIS 10 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 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 0.97 0.38 0.00 0.41 0.86 0.00 0.00 177.93 180.55 1x6c n GLY 11 N 1.14 0.92 3.28 2.45 0.00 -1.26 -4.71 105.19 107.01 1x6c n GLY 11 Ca 0.02 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 4.14 -0.00 1.61 3.76 -1.26 0.19 115.29 123.73 1x6c s HIS 12 Ca 0.00 -2.74 0.01 0.00 -0.15 0.00 0.00 55.06 52.18 1x6c s HIS 12 Cb 0.00 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 1x6c s HIS 12 CO 0.00 -0.90 0.04 1.41 -0.85 0.00 0.00 174.74 174.44 1x6c s MET 13 N -1.19 2.90 0.01 1.40 0.00 -1.25 -4.95 119.30 116.22 1x6c s MET 13 Ca 0.29 -0.56 -0.26 0.00 0.00 0.00 0.00 55.69 55.16 1x6c s MET 13 Cb -0.09 -2.75 -0.04 0.00 0.00 0.00 0.00 34.83 31.94 1x6c s MET 13 CO -0.09 0.63 0.82 -1.12 0.00 0.00 0.00 175.02 175.26 1x6c s SER 14 N -1.65 7.21 0.12 1.11 0.01 -1.26 -4.54 113.70 114.71 1x6c s SER 14 Ca 0.21 1.46 -0.28 0.00 1.31 0.00 0.00 55.95 58.65 1x6c s SER 14 Cb -0.12 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 1x6c s SER 14 CO 0.12 -0.10 1.48 1.23 0.41 0.00 0.00 173.24 176.38 1x6c h GLY 15 N 6.24 -1.11 -0.33 3.44 0.00 -1.99 0.49 103.07 109.82 1x6c h GLY 15 Ca -0.42 0.78 0.29 0.00 0.00 0.00 0.00 47.33 47.98 1x6c h GLY 15 CO 0.73 -0.15 0.67 -1.33 0.00 0.00 0.00 176.54 176.46 1x6c h GLY 16 N -0.21 1.44 0.56 4.60 0.00 -2.00 -1.40 103.07 106.06 1x6c h GLY 16 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1x6c h GLY 16 CO -0.64 -0.23 -0.27 -1.61 0.00 0.00 0.00 176.54 173.78 1x6c h GLN 17 N 0.37 -0.73 -0.88 4.80 4.15 -0.46 -2.61 115.11 119.75 1x6c h GLN 17 Ca 0.65 0.05 0.18 0.00 0.77 0.00 0.00 58.65 60.30 1x6c h GLN 17 Cb 1.64 0.17 -0.17 0.00 0.21 0.00 0.00 27.48 29.33 1x6c h GLN 17 CO -0.38 -0.49 -0.21 0.00 -1.93 0.00 0.00 178.83 175.82 1x6c n ALA 18 N -2.42 0.22 -0.10 3.38 0.00 -0.45 0.15 120.51 121.29 1x6c n ALA 18 Ca -0.09 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.24 1x6c n ALA 18 Cb 0.30 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.20 -0.49 0.00 5.08 -1.29 1.49 114.58 119.17 1x6c h GLU 19 Ca 0.43 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.69 1x6c h GLU 19 Cb 0.66 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1x6c h GLU 19 CO -0.90 -0.13 -0.12 1.15 -1.00 0.00 0.00 179.01 178.00 1x6c h THR 20 N -0.21 1.27 0.76 1.13 2.02 0.17 0.19 112.91 118.24 1x6c h THR 20 Ca 0.17 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1x6c h THR 20 Cb 0.48 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1x6c h THR 20 CO -0.47 0.43 -0.37 -0.07 0.37 0.00 0.00 175.52 175.42 1x6c h LEU 21 N 0.82 -0.86 -0.53 2.58 4.07 0.23 1.49 115.31 123.10 1x6c h LEU 21 Ca 0.13 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.19 1x6c h LEU 21 Cb 0.66 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.56 1x6c h LEU 21 CO 0.05 -0.56 0.16 -0.07 -1.08 0.00 0.00 178.44 176.93 1x6c h LEU 22 N -1.11 0.12 0.00 1.67 3.38 0.20 -1.35 115.31 118.22 1x6c h LEU 22 Ca -0.10 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x6c h LEU 22 Cb 0.80 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x6c h LEU 22 CO 0.17 0.09 -0.00 1.56 0.09 0.00 0.00 178.44 180.35 1x6c h GLN 23 N 0.32 -0.00 -1.11 1.13 4.20 -0.79 0.13 115.11 118.99 1x6c h GLN 23 Ca 0.26 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.30 1x6c h GLN 23 Cb 0.33 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.99 1x6c h GLN 23 CO -0.30 0.13 0.70 0.00 -0.67 0.00 0.00 178.83 178.70 1x6c h ALA 24 N 0.86 2.30 0.14 3.87 0.00 0.29 -0.65 119.26 126.06 1x6c h ALA 24 Ca -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x6c h ALA 24 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x6c h ALA 24 CO 0.00 -0.81 -0.07 -0.22 0.00 0.00 0.00 179.25 178.15 1x6c h LYS 25 N 0.30 -0.18 0.00 0.00 1.63 -0.69 -3.48 116.57 114.16 1x6c h LYS 25 Ca 0.69 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.50 1x6c h LYS 25 Cb 1.82 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 1x6c h LYS 25 CO -0.40 -0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.01 1x6c n GLY 26 N 1.23 2.98 3.16 5.01 0.00 0.41 -5.01 105.19 112.97 1x6c n GLY 26 Ca -0.04 -0.10 -0.58 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.00 -2.49 1.61 1.02 -1.26 -4.83 120.64 114.68 1x6c n GLU 27 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1x6c n GLU 27 Cb 0.00 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 4.46 4.60 -0.34 3.49 0.04 -1.26 -3.63 135.00 142.35 1x6c s PRO 28 Ca 1.05 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 63.84 1x6c s PRO 28 Cb -1.38 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 29.91 1x6c s PRO 28 CO 0.66 0.10 0.29 0.91 0.04 0.00 0.00 177.00 179.00 1x6c n TRP 29 N 2.09 -0.65 -4.10 0.56 5.03 0.35 -4.84 117.44 115.88 1x6c n TRP 29 Ca 0.02 0.27 -0.33 0.00 3.03 0.00 0.00 57.50 60.49 1x6c n TRP 29 Cb 0.46 -2.91 -0.16 0.00 -1.03 0.00 0.00 31.31 27.66 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 -3.11 2.03 0.40 -0.99 2.01 -1.09 -1.81 115.64 113.08 1x6c s THR 30 Ca 0.02 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1x6c s THR 30 Cb -0.00 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1x6c s THR 30 CO 0.21 0.43 0.33 0.72 -0.69 0.00 0.00 174.62 175.62 1x6c s PHE 31 N 1.28 2.73 -0.28 4.92 -0.71 -1.07 0.74 117.98 125.59 1x6c s PHE 31 Ca 0.02 -0.47 -0.25 0.00 -1.04 0.00 0.00 56.93 55.20 1x6c s PHE 31 Cb -0.14 -2.06 0.12 0.00 -1.21 0.00 0.00 43.02 39.73 1x6c s PHE 31 CO -0.11 -0.01 1.00 -0.48 -1.34 0.00 0.00 175.22 174.28 1x6c s LEU 32 N -4.06 -0.48 -0.21 -1.99 0.05 -1.05 -0.37 118.68 110.56 1x6c s LEU 32 Ca 0.46 0.92 -0.10 0.00 0.05 0.00 0.00 54.13 55.46 1x6c s LEU 32 Cb -0.03 1.94 -0.05 0.00 -2.05 0.00 0.00 46.19 46.01 1x6c s LEU 32 CO 0.27 -0.16 0.13 -0.69 -0.55 0.00 0.00 176.35 175.34 1x6c s VAL 33 N 0.22 5.31 -0.06 1.48 1.01 -1.20 -2.98 120.40 124.18 1x6c s VAL 33 Ca 0.03 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1x6c s VAL 33 Cb -0.05 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1x6c s VAL 33 CO -0.05 0.42 0.21 0.00 0.00 0.00 0.00 175.10 175.67 1x6c s ARG 34 N 0.55 0.35 0.32 2.72 1.70 -1.12 -0.43 118.95 123.05 1x6c s ARG 34 Ca 0.07 0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 55.14 1x6c s ARG 34 Cb -0.12 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.32 1x6c s ARG 34 CO -0.00 -0.07 1.35 -2.00 -1.08 0.00 0.00 175.30 173.51 1x6c s GLU 35 N -0.37 4.31 -0.30 3.89 2.12 0.49 -1.41 118.70 127.43 1x6c s GLU 35 Ca -0.05 2.27 -0.28 0.00 0.36 0.00 0.00 54.97 57.27 1x6c s GLU 35 Cb -0.03 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.30 1x6c s GLU 35 CO 0.01 -0.27 1.04 0.45 -0.54 0.00 0.00 175.26 175.95 1x6c s SER 36 N -0.27 6.95 -0.03 -1.70 0.15 -1.03 -3.92 113.70 113.84 1x6c s SER 36 Ca 0.51 1.10 -0.26 0.00 0.70 0.00 0.00 55.95 58.00 1x6c s SER 36 Cb -0.41 -2.53 -0.21 0.00 -1.71 0.00 0.00 66.02 61.17 1x6c s SER 36 CO 0.52 -0.80 1.20 -0.07 1.20 0.00 0.00 173.24 175.28 1x6c h LEU 37 N 9.87 -0.02 -1.60 3.45 3.38 -1.91 -3.06 115.31 125.42 1x6c h LEU 37 Ca -0.20 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1x6c h LEU 37 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1x6c h LEU 37 CO 1.01 0.52 -0.19 0.28 0.09 0.00 0.00 178.44 180.15 1x6c h SER 38 N -0.56 0.02 -4.19 -0.43 0.02 -1.96 -3.32 113.55 103.12 1x6c h SER 38 Ca -0.00 -0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1x6c h SER 38 Cb 0.54 -0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.67 1x6c h SER 38 CO 0.00 0.20 -0.64 -1.10 -1.14 0.00 0.00 176.83 174.16 1x6c s GLN 39 N -4.63 1.94 -0.39 3.45 1.11 -1.17 -5.07 119.66 114.91 1x6c s GLN 39 Ca -0.04 -2.61 -0.29 0.00 0.01 0.00 0.00 55.36 52.43 1x6c s GLN 39 Cb 0.16 -3.22 0.01 0.00 -1.01 0.00 0.00 33.01 28.95 1x6c s GLN 39 CO 0.70 -1.13 1.39 -1.25 0.01 0.00 0.00 175.29 175.02 1x6c s PRO 40 N -0.31 3.65 0.00 2.91 0.04 -1.16 -2.67 135.00 137.46 1x6c s PRO 40 Ca 0.18 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1x6c s PRO 40 Cb -0.24 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1x6c s PRO 40 CO -0.01 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1x6c n GLY 41 N 4.91 1.26 3.32 0.56 0.00 -1.26 -5.11 105.19 108.87 1x6c n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.26 -4.11 1.61 9.92 -1.09 -4.84 116.55 121.31 1x6c n ASP 42 Ca 0.00 -3.03 -0.10 0.00 -0.53 0.00 0.00 54.79 51.13 1x6c n ASP 42 Cb 0.00 0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.71 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 -2.68 0.70 0.05 1.24 0.08 -1.25 -2.48 117.98 113.64 1x6c s PHE 43 Ca 0.00 -0.82 0.08 0.00 0.12 0.00 0.00 56.93 56.31 1x6c s PHE 43 Cb 0.00 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1x6c s PHE 43 CO 0.00 -0.19 -0.22 0.08 -0.10 0.00 0.00 175.22 174.79 1x6c s VAL 44 N -2.98 2.51 -0.39 -0.44 1.01 -0.50 -0.58 120.40 119.02 1x6c s VAL 44 Ca 0.03 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1x6c s VAL 44 Cb 0.01 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.47 1x6c s VAL 44 CO -0.04 0.32 0.11 -0.22 0.00 0.00 0.00 175.10 175.27 1x6c s LEU 45 N -1.43 4.61 -0.42 3.92 2.96 -0.59 -2.77 118.68 124.97 1x6c s LEU 45 Ca 0.14 -2.42 -0.20 0.00 -0.22 0.00 0.00 54.13 51.42 1x6c s LEU 45 Cb -0.10 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.98 1x6c s LEU 45 CO 0.04 -0.33 0.63 -0.44 -1.32 0.00 0.00 176.35 174.93 1x6c s SER 46 N 0.54 6.34 -0.13 3.68 0.01 -1.16 0.14 113.70 123.12 1x6c s SER 46 Ca 0.13 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1x6c s SER 46 Cb -0.21 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1x6c s SER 46 CO -0.06 -0.72 -0.11 -0.69 0.41 0.00 0.00 173.24 172.07 1x6c s VAL 47 N 2.75 3.24 -0.12 3.43 1.01 0.49 -2.53 120.40 128.67 1x6c s VAL 47 Ca 0.22 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1x6c s VAL 47 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1x6c s VAL 47 CO 0.18 0.53 0.90 -0.22 0.00 0.00 0.00 175.10 176.48 1x6c s LEU 48 N 0.23 4.23 0.41 3.92 2.96 0.23 -1.99 118.68 128.66 1x6c s LEU 48 Ca -0.07 1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1x6c s LEU 48 Cb -0.15 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1x6c s LEU 48 CO 0.05 -0.38 0.63 -0.94 -1.32 0.00 0.00 176.35 174.39 1x6c s SER 49 N 1.09 6.09 -0.17 3.68 1.04 -1.18 0.13 113.70 124.36 1x6c s SER 49 Ca 0.43 0.44 0.07 0.00 0.48 0.00 0.00 55.95 57.36 1x6c s SER 49 Cb -0.18 -1.84 0.47 0.00 0.10 0.00 0.00 66.02 64.58 1x6c s SER 49 CO 0.16 -0.51 1.32 -0.90 0.98 0.00 0.00 173.24 174.30 1x6c n ASP 50 N -1.97 3.75 -4.25 7.02 5.75 -1.26 -4.55 116.55 121.04 1x6c n ASP 50 Ca -0.01 -2.66 -0.37 0.00 -0.01 0.00 0.00 54.79 51.74 1x6c n ASP 50 Cb 0.57 -0.64 -0.13 0.00 -1.03 0.00 0.00 41.12 39.89 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 -2.04 2.64 1.00 0.11 -1.52 -1.26 -5.07 119.66 113.52 1x6c s GLN 51 Ca 0.33 -1.15 -0.15 0.00 -1.95 0.00 0.00 55.36 52.44 1x6c s GLN 51 Cb 0.26 -3.32 0.19 0.00 -0.22 0.00 0.00 33.01 29.92 1x6c s GLN 51 CO 0.09 -0.60 1.18 -1.25 -0.25 0.00 0.00 175.29 174.46 1x6c s PRO 52 N 1.36 0.37 -0.21 2.91 0.04 -1.26 -2.01 135.00 136.20 1x6c s PRO 52 Ca -0.02 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 60.94 1x6c s PRO 52 Cb -0.19 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 1x6c s PRO 52 CO 0.01 -2.66 0.02 1.63 0.04 0.00 0.00 177.00 176.04 1x6c n LYS 53 N -4.03 0.66 -0.02 4.56 5.02 -1.21 -4.64 118.16 118.49 1x6c n LYS 53 Ca 0.11 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.68 1x6c n LYS 53 Cb 0.59 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 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 -3.41 1.97 0.00 7.82 0.00 -1.26 -5.12 120.51 120.50 1x6c n ALA 54 Ca -0.41 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1x6c n ALA 54 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 2.44 0.34 3.65 0.00 0.00 -1.26 -4.99 105.19 105.37 1x6c n GLY 55 Ca -0.08 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.07 4.11 0.00 1.61 0.04 -1.26 -2.45 135.00 136.98 1x6c s PRO 56 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1x6c s PRO 56 Cb 0.00 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1x6c s PRO 56 CO 0.00 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1x6c n GLY 57 N 3.89 0.61 3.67 0.56 0.00 -1.26 -5.09 105.19 107.58 1x6c n GLY 57 Ca 0.14 0.00 -0.27 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 -1.99 4.84 0.31 1.61 1.04 -1.02 -5.08 113.70 113.40 1x6c s SER 58 Ca 0.00 -0.35 -0.28 0.00 0.48 0.00 0.00 55.95 55.80 1x6c s SER 58 Cb 0.00 -1.06 -0.09 0.00 0.10 0.00 0.00 66.02 64.97 1x6c s SER 58 CO 0.00 0.10 1.07 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.84 4.53 0.02 4.02 0.04 -1.26 -4.73 135.00 134.78 1x6c s PRO 59 Ca 0.27 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1x6c s PRO 59 Cb -0.10 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1x6c s PRO 59 CO 0.19 0.14 1.13 -0.51 0.04 0.00 0.00 177.00 177.98 1x6c s LEU 60 N -1.74 4.35 0.86 -3.56 1.43 -1.26 -3.29 118.68 115.48 1x6c s LEU 60 Ca 0.48 1.87 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 1x6c s LEU 60 Cb -0.29 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.30 1x6c s LEU 60 CO 0.37 -0.42 0.03 0.54 0.23 0.00 0.00 176.35 177.10 1x6c n ARG 61 N 4.11 -0.02 -4.78 1.70 1.74 -0.85 -4.75 116.66 113.81 1x6c n ARG 61 Ca 0.08 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 1x6c n ARG 61 Cb 0.48 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.11 2.49 -0.18 1.55 1.01 -1.26 -3.13 120.40 118.76 1x6c s VAL 62 Ca 0.54 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1x6c s VAL 62 Cb -0.27 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1x6c s VAL 62 CO 0.69 0.36 -0.14 -0.89 0.00 0.00 0.00 175.10 175.12 1x6c s THR 63 N -0.86 1.76 -0.42 3.92 2.01 -0.84 -4.99 115.64 116.23 1x6c s THR 63 Ca 0.13 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1x6c s THR 63 Cb -0.10 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1x6c s THR 63 CO 0.04 0.33 0.38 -1.00 -0.69 0.00 0.00 174.62 173.67 1x6c s HIS 64 N 1.37 3.20 -0.74 4.92 3.76 -1.26 -0.38 115.29 126.17 1x6c s HIS 64 Ca 0.01 -0.46 -0.17 0.00 -0.15 0.00 0.00 55.06 54.29 1x6c s HIS 64 Cb -0.15 -2.77 0.15 0.00 1.11 0.00 0.00 32.58 30.92 1x6c s HIS 64 CO -0.10 -0.66 0.80 0.42 -0.85 0.00 0.00 174.74 174.35 1x6c s ILE 65 N 1.95 5.12 0.34 0.60 1.09 0.37 -4.82 121.20 125.84 1x6c s ILE 65 Ca 0.09 -1.69 -0.29 0.00 -1.10 0.00 0.00 60.65 57.67 1x6c s ILE 65 Cb -0.18 -4.53 -0.12 0.00 -1.06 0.00 0.00 42.46 36.57 1x6c s ILE 65 CO 0.12 -1.15 1.39 0.29 -0.10 0.00 0.00 174.94 175.49 1x6c n LYS 66 N 5.44 2.33 -3.70 2.79 5.02 -1.26 -1.54 118.16 127.23 1x6c n LYS 66 Ca 0.05 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.78 1x6c n LYS 66 Cb 0.45 -2.47 -0.12 0.00 -0.02 0.00 0.00 35.03 32.87 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 -0.89 4.22 -0.31 -0.18 1.01 0.26 -4.47 120.40 120.04 1x6c s VAL 67 Ca 0.57 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1x6c s VAL 67 Cb -0.54 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x6c s VAL 67 CO 0.60 -0.01 1.04 -0.04 0.00 0.00 0.00 175.10 176.69 1x6c s MET 68 N 1.53 4.06 -0.62 2.72 -1.94 0.43 -3.82 119.30 121.66 1x6c s MET 68 Ca 0.02 1.03 -0.08 0.00 -1.71 0.00 0.00 55.69 54.96 1x6c s MET 68 Cb -0.18 -3.73 0.16 0.00 2.01 0.00 0.00 34.83 33.09 1x6c s MET 68 CO 0.04 -0.87 0.48 0.00 -0.01 0.00 0.00 175.02 174.67 1x6c s GLU 70 N 0.52 2.02 -1.09 0.00 2.02 0.08 -4.72 118.70 117.53 1x6c s GLU 70 Ca 0.13 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 1x6c s GLU 70 Cb -0.20 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.26 1x6c s GLU 70 CO -0.04 -0.10 0.51 0.41 0.02 0.00 0.00 175.26 176.07 1x6c n GLY 71 N 4.32 -0.17 2.42 -1.39 0.00 -1.26 -1.83 105.19 107.28 1x6c n GLY 71 Ca -0.18 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.36 1.36 3.21 -0.02 0.00 -1.26 -4.98 105.19 102.15 1x6c n GLY 72 Ca -0.07 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.40 2.66 -0.11 1.61 1.81 -0.76 -4.67 118.95 116.08 1x6c s ARG 73 Ca 0.00 -0.83 -0.10 0.00 -1.72 0.00 0.00 55.73 53.08 1x6c s ARG 73 Cb 0.00 -2.11 -0.05 0.00 -0.45 0.00 0.00 34.95 32.34 1x6c s ARG 73 CO 0.00 0.24 0.21 0.71 -0.68 0.00 0.00 175.30 175.78 1x6c s TYR 74 N 0.16 3.58 -0.11 -0.53 2.02 0.17 -0.74 117.35 121.90 1x6c s TYR 74 Ca -0.12 0.60 -0.22 0.00 -0.37 0.00 0.00 57.07 56.96 1x6c s TYR 74 Cb -0.16 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1x6c s TYR 74 CO 0.06 0.61 0.54 -0.08 -1.57 0.00 0.00 175.55 175.11 1x6c s THR 75 N -0.69 0.01 -2.16 -0.71 -1.32 0.44 -1.25 115.64 109.96 1x6c s THR 75 Ca 0.16 -0.12 0.17 0.00 -1.21 0.00 0.00 61.69 60.69 1x6c s THR 75 Cb -0.13 -0.82 0.41 0.00 -1.51 0.00 0.00 72.50 70.46 1x6c s THR 75 CO 0.05 -0.06 1.42 1.33 -2.21 0.00 0.00 174.62 175.14 1x6c n VAL 76 N 1.77 0.41 0.00 5.08 0.24 -1.26 0.16 118.33 124.73 1x6c n VAL 76 Ca -0.17 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1x6c n VAL 76 Cb 0.56 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.19 1.67 3.83 7.63 0.00 -1.26 -4.90 105.19 113.35 1x6c n GLY 77 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 2.56 0.03 -0.02 0.00 -1.26 -5.05 107.32 101.58 1x6c s GLY 78 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 44.72 43.35 1x6c s GLY 78 CO 0.00 -2.01 1.39 1.41 0.00 0.00 0.00 173.10 173.88 1x6c h LEU 79 N 1.05 0.23 -9.93 0.66 3.38 -2.00 -3.44 115.31 105.25 1x6c h LEU 79 Ca -0.40 -0.41 -0.56 0.00 0.09 0.00 0.00 57.88 56.60 1x6c h LEU 79 Cb 1.30 -0.06 0.14 0.00 0.09 0.00 0.00 40.66 42.12 1x6c h LEU 79 CO 0.64 0.59 0.51 -0.62 0.09 0.00 0.00 178.44 179.65 1x6c n GLU 80 N -4.72 1.72 -2.67 1.13 1.02 -1.26 -5.01 120.64 110.84 1x6c n GLU 80 Ca -0.06 0.62 -0.07 0.00 -0.02 0.00 0.00 57.16 57.63 1x6c n GLU 80 Cb 0.27 -2.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.21 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 -0.76 0.00 -3.50 2.62 -2.24 -1.26 -4.67 114.28 104.47 1x6c n THR 81 Ca 0.09 -0.67 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1x6c n THR 81 Cb 0.43 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.00 -0.56 -0.12 4.78 0.08 -0.38 -4.89 117.98 114.89 1x6c s PHE 82 Ca 0.06 0.69 0.09 0.00 0.12 0.00 0.00 56.93 57.89 1x6c s PHE 82 Cb 0.00 0.44 -0.24 0.00 -0.57 0.00 0.00 43.02 42.66 1x6c s PHE 82 CO 0.04 -0.70 0.37 -0.25 -0.10 0.00 0.00 175.22 174.59 1x6c n ASP 83 N 0.35 1.05 -4.24 1.36 8.00 -1.26 -0.66 116.55 121.16 1x6c n ASP 83 Ca -0.18 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.30 1x6c n ASP 83 Cb 0.60 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 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 -6.20 2.31 0.47 -2.24 0.01 -1.26 -4.89 113.70 101.91 1x6c s SER 84 Ca -0.13 -0.58 0.18 0.00 1.31 0.00 0.00 55.95 56.73 1x6c s SER 84 Cb 0.07 -0.16 1.18 0.00 0.21 0.00 0.00 66.02 67.32 1x6c s SER 84 CO 0.79 0.09 2.00 -0.07 0.41 0.00 0.00 173.24 176.46 1x6c h LEU 85 N 4.56 0.21 0.34 2.44 -0.00 -1.99 -1.39 115.31 119.49 1x6c h LEU 85 Ca -0.43 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 1x6c h LEU 85 Cb 1.17 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1x6c h LEU 85 CO 0.42 0.12 -0.16 0.74 -0.00 0.00 0.00 178.44 179.56 1x6c h THR 86 N 0.23 0.68 -0.01 0.22 2.02 -1.98 0.55 112.91 114.63 1x6c h THR 86 Ca 0.24 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1x6c h THR 86 Cb 0.65 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1x6c h THR 86 CO -0.05 0.05 0.02 0.44 0.37 0.00 0.00 175.52 176.35 1x6c h ASP 87 N -0.58 0.00 0.00 4.18 5.19 -1.70 1.48 116.42 125.00 1x6c h ASP 87 Ca -0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1x6c h ASP 87 Cb 0.42 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1x6c h ASP 87 CO 0.08 0.00 -0.16 0.25 -3.12 0.00 0.00 179.24 176.29 1x6c h LEU 88 N 0.00 0.00 -0.21 1.55 6.46 -0.44 -2.91 115.31 119.76 1x6c h LEU 88 Ca 0.00 -0.93 -0.05 0.00 -0.12 0.00 0.00 57.88 56.78 1x6c h LEU 88 Cb 0.05 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1x6c h LEU 88 CO -0.00 1.06 -0.07 0.58 -0.62 0.00 0.00 178.44 179.39 1x6c h VAL 89 N -1.00 1.29 0.00 1.05 2.07 0.11 -1.95 116.25 117.82 1x6c h VAL 89 Ca -0.04 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1x6c h VAL 89 Cb 1.03 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1x6c h VAL 89 CO -0.03 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.56 1x6c h GLU 90 N 0.14 0.00 0.00 1.57 4.39 0.19 1.12 114.58 121.99 1x6c h GLU 90 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1x6c h GLU 90 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1x6c h GLU 90 CO 0.02 0.00 -0.37 1.25 -1.16 0.00 0.00 179.01 178.76 1x6c h HIS 91 N 0.00 0.00 0.00 4.33 2.76 -1.18 -3.35 115.15 117.71 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 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1x6c h HIS 91 CO 0.00 0.58 0.00 1.19 -1.30 0.00 0.00 177.93 178.40 1x6c n PHE 92 N -4.63 0.00 0.19 5.26 3.72 -0.79 -3.18 117.46 118.03 1x6c n PHE 92 Ca -0.11 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.38 1x6c n PHE 92 Cb 0.33 -0.34 0.44 0.00 -0.94 0.00 0.00 39.48 38.97 1x6c n PHE 92 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1x6c n LYS 93 N -1.34 0.12 0.03 -1.08 5.02 0.38 -0.19 118.16 121.10 1x6c n LYS 93 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1x6c n LYS 93 Cb 0.26 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1x6c n LYS 93 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x6c n LYS 94 N -2.07 0.00 0.20 1.97 2.85 -1.19 -4.46 118.16 115.45 1x6c n LYS 94 Ca -0.00 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.44 1x6c n LYS 94 Cb 0.07 -0.30 0.76 0.00 -0.65 0.00 0.00 35.03 34.91 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 0.21 -1.68 0.58 1.35 -1.63 -3.47 112.91 108.26 1x6c h THR 95 Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.06 1x6c h THR 95 Cb 0.00 0.64 -0.06 0.00 -1.73 0.00 0.00 68.15 67.00 1x6c h THR 95 CO 0.00 0.00 -0.31 0.61 -0.25 0.00 0.00 175.52 175.57 1x6c n GLY 96 N -1.38 -1.75 3.58 5.82 0.00 0.74 -4.93 105.19 107.27 1x6c n GLY 96 Ca 0.03 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.86 3.30 -0.14 -0.61 1.01 0.37 -4.82 121.20 118.45 1x6c s ILE 97 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.13 1x6c s ILE 97 Cb 0.00 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1x6c s ILE 97 CO 0.00 -0.04 -0.09 -0.70 0.00 0.00 0.00 174.94 174.12 1x6c s GLU 98 N -2.63 3.46 0.76 2.79 2.12 -1.26 0.12 118.70 124.06 1x6c s GLU 98 Ca 0.24 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 1x6c s GLU 98 Cb -0.10 -2.75 0.12 0.00 0.26 0.00 0.00 34.13 31.67 1x6c s GLU 98 CO 0.15 0.26 1.06 -1.21 -0.54 0.00 0.00 175.26 174.99 1x6c s GLU 99 N 0.26 1.62 0.19 4.30 2.02 0.82 -4.95 118.70 122.96 1x6c s GLU 99 Ca -0.06 -0.69 0.19 0.00 0.02 0.00 0.00 54.97 54.42 1x6c s GLU 99 Cb -0.15 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1x6c s GLU 99 CO 0.04 -1.58 1.11 0.00 0.02 0.00 0.00 175.26 174.85 1x6c h ALA 100 N -0.78 0.65 0.00 5.21 0.00 -2.00 -3.24 119.26 119.10 1x6c h ALA 100 Ca -0.41 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1x6c h ALA 100 Cb 1.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x6c h ALA 100 CO 0.46 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.61 1x6c n SER 101 N -2.92 0.74 0.00 0.00 7.64 -1.26 -4.86 113.62 112.96 1x6c n SER 101 Ca -0.03 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1x6c n SER 101 Cb 0.70 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.26 2.78 3.82 0.23 0.00 -1.22 -5.08 105.19 105.98 1x6c n GLY 102 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.47 2.92 0.12 4.61 0.00 -1.26 -4.77 121.76 120.92 1x6c s ALA 103 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1x6c s ALA 103 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1x6c s ALA 103 CO 0.00 -0.45 -0.05 -0.06 0.00 0.00 0.00 175.76 175.20 1x6c s PHE 104 N -2.49 2.82 0.14 0.00 0.40 -1.26 -0.13 117.98 117.46 1x6c s PHE 104 Ca 0.62 -0.12 0.11 0.00 -0.60 0.00 0.00 56.93 56.93 1x6c s PHE 104 Cb -0.13 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1x6c s PHE 104 CO 0.32 0.47 -0.25 0.08 0.70 0.00 0.00 175.22 176.53 1x6c s VAL 105 N -1.39 2.21 0.00 -0.44 1.01 0.33 -4.92 120.40 117.20 1x6c s VAL 105 Ca 0.24 -1.80 0.02 0.00 0.00 0.00 0.00 61.98 60.44 1x6c s VAL 105 Cb -0.11 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1x6c s VAL 105 CO 0.16 0.02 -0.08 -0.31 0.00 0.00 0.00 175.10 174.89 1x6c s TYR 106 N -1.23 0.69 -1.16 5.22 2.02 -1.26 0.14 117.35 121.77 1x6c s TYR 106 Ca 0.15 -0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.53 1x6c s TYR 106 Cb -0.09 -0.44 0.18 0.00 -0.40 0.00 0.00 41.96 41.21 1x6c s TYR 106 CO 0.07 -0.02 1.34 -0.51 -1.57 0.00 0.00 175.55 174.87 1x6c s LEU 107 N -0.40 5.28 0.05 -1.29 1.02 -1.26 -4.49 118.68 117.59 1x6c s LEU 107 Ca 0.01 -2.99 -0.26 0.00 0.02 0.00 0.00 54.13 50.91 1x6c s LEU 107 Cb -0.04 -2.37 -0.17 0.00 0.02 0.00 0.00 46.19 43.63 1x6c s LEU 107 CO -0.00 -0.70 1.52 0.03 0.02 0.00 0.00 176.35 177.22 1x6c h ARG 108 N 7.25 -0.30 -3.00 1.70 3.08 -1.66 -3.46 114.38 117.99 1x6c h ARG 108 Ca 0.28 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.22 1x6c h ARG 108 Cb 0.89 0.07 -0.22 0.00 0.08 0.00 0.00 29.97 30.79 1x6c h ARG 108 CO 1.19 -0.09 -0.29 1.14 -1.07 0.00 0.00 179.97 180.84 1x6c s GLN 109 N -5.51 0.57 0.81 0.04 -2.07 -1.00 -5.07 119.66 107.43 1x6c s GLN 109 Ca -0.15 0.05 -0.12 0.00 -1.82 0.00 0.00 55.36 53.32 1x6c s GLN 109 Cb 0.04 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 32.29 1x6c s GLN 109 CO 0.62 -0.13 1.10 -1.25 -1.32 0.00 0.00 175.29 174.31 1x6c s PRO 110 N -0.78 1.99 -0.10 9.60 0.04 -1.26 -2.59 135.00 141.90 1x6c s PRO 110 Ca -0.09 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.56 1x6c s PRO 110 Cb -0.04 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1x6c s PRO 110 CO 0.03 -1.68 -0.12 -0.47 0.04 0.00 0.00 177.00 174.80 1x6c s TYR 111 N -3.17 2.81 0.39 0.56 5.04 0.49 -4.78 117.35 118.70 1x6c s TYR 111 Ca 0.61 -0.40 0.08 0.00 -2.44 0.00 0.00 57.07 54.92 1x6c s TYR 111 Cb -0.14 -1.78 -0.03 0.00 0.35 0.00 0.00 41.96 40.36 1x6c s TYR 111 CO 0.54 -0.02 0.27 0.71 -1.34 0.00 0.00 175.55 175.71 1x6c s TYR 112 N -0.09 2.70 0.00 4.97 1.51 -1.26 -4.70 117.35 120.48 1x6c s TYR 112 Ca -0.01 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1x6c s TYR 112 Cb -0.14 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1x6c s TYR 112 CO 0.03 0.08 0.00 0.45 -1.11 0.00 0.00 175.55 175.00 1x6c n SER 113 N -1.37 0.50 -1.29 2.29 2.88 -1.26 -5.07 113.62 110.30 1x6c n SER 113 Ca 0.01 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1x6c n SER 113 Cb 0.62 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1x6c n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6c n GLY 114 N 2.04 -3.19 3.78 0.46 0.00 -1.26 -4.86 105.19 102.16 1x6c n GLY 114 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1x6c n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6c s PRO 115 N -3.99 0.58 -0.37 1.61 0.04 -1.26 -4.54 135.00 127.07 1x6c s PRO 115 Ca 0.00 0.08 -0.25 0.00 0.04 0.00 0.00 61.00 60.86 1x6c s PRO 115 Cb 0.00 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x6c s PRO 115 CO 0.00 -2.53 0.51 0.43 0.04 0.00 0.00 177.00 175.44 1x6c n SER 116 N -3.96 -6.41 -3.53 6.66 7.64 -1.26 -5.01 113.62 107.74 1x6c n SER 116 Ca 0.10 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1x6c n SER 116 Cb 0.59 -2.77 -0.05 0.00 -1.01 0.00 0.00 64.21 60.97 1x6c n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6c s SER 117 N -1.67 -0.52 0.00 6.43 0.15 -1.26 -5.21 113.70 111.60 1x6c s SER 117 Ca 0.27 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1x6c s SER 117 Cb -0.04 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x6c s SER 117 CO 0.71 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.23