#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 0.00 -4.44 1.61 7.64 -1.26 -4.85 113.62 112.32 1x6c n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1x6c n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x6c n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x6c n SER 3 N 1.54 -1.01 0.00 6.43 3.41 -1.26 -4.70 113.62 118.02 1x6c n SER 3 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1x6c n SER 3 Cb 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1x6c n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 4 N 1.84 -0.75 0.22 5.00 0.00 -1.26 -4.96 105.19 105.27 1x6c n GLY 4 Ca 0.12 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1x6c n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x6c h SER 5 N 0.00 -0.46 0.00 1.61 0.87 -2.04 -3.48 113.55 110.05 1x6c h SER 5 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x6c h SER 5 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1x6c h SER 5 CO 0.00 -0.27 0.00 -1.54 -0.53 0.00 0.00 176.83 174.49 1x6c n SER 6 N -5.30 0.00 0.00 6.23 3.41 -1.26 -5.00 113.62 111.70 1x6c n SER 6 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1x6c n SER 6 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.09 0.00 0.04 5.00 0.00 -1.26 -4.90 105.19 103.97 1x6c n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -1.53 1.61 4.27 -1.26 -4.92 117.44 115.60 1x6c n TRP 8 Ca 0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 1x6c n TRP 8 Cb 0.00 -0.49 -0.06 0.00 -1.36 0.00 0.00 31.31 29.40 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 -2.25 1.31 0.20 -2.67 9.36 -1.25 -3.54 117.16 118.32 1x6c n TYR 9 Ca -0.12 0.17 0.08 0.00 3.32 0.00 0.00 57.90 61.34 1x6c n TYR 9 Cb 0.66 -2.58 0.31 0.00 -0.63 0.00 0.00 39.34 37.10 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 17.10 0.00 0.00 2.98 3.86 -0.91 -3.49 115.15 134.69 1x6c h HIS 10 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1x6c h HIS 10 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1x6c h HIS 10 CO 0.98 0.30 0.00 0.41 0.86 0.00 0.00 177.93 180.49 1x6c n GLY 11 N 0.50 0.66 3.47 2.45 0.00 -1.25 -4.77 105.19 106.25 1x6c n GLY 11 Ca 0.01 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 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 3.44 0.07 1.61 3.76 -1.26 0.19 115.29 123.10 1x6c s HIS 12 Ca 0.00 -2.09 0.01 0.00 -0.15 0.00 0.00 55.06 52.83 1x6c s HIS 12 Cb 0.00 -4.35 -0.04 0.00 1.11 0.00 0.00 32.58 29.30 1x6c s HIS 12 CO 0.00 -1.43 0.17 1.41 -0.85 0.00 0.00 174.74 174.04 1x6c s MET 13 N 1.80 3.28 -0.14 1.40 0.00 -1.25 -4.89 119.30 119.49 1x6c s MET 13 Ca 0.44 -0.52 -0.22 0.00 0.00 0.00 0.00 55.69 55.39 1x6c s MET 13 Cb -0.02 -2.95 -0.03 0.00 0.00 0.00 0.00 34.83 31.83 1x6c s MET 13 CO 0.01 0.59 0.65 0.45 0.00 0.00 0.00 175.02 176.73 1x6c s SER 14 N -2.50 6.81 0.09 1.11 0.15 -1.26 -4.47 113.70 113.64 1x6c s SER 14 Ca 0.33 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.79 1x6c s SER 14 Cb -0.13 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1x6c s SER 14 CO 0.26 -0.20 1.28 0.61 1.20 0.00 0.00 173.24 176.40 1x6c n GLY 15 N 3.46 -2.73 0.46 9.45 0.00 -1.26 0.14 105.19 114.70 1x6c n GLY 15 Ca -0.01 0.92 0.35 0.00 0.00 0.00 0.00 46.02 47.27 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 1.28 0.47 -0.02 0.00 -2.00 0.06 103.07 102.85 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 -0.55 -0.35 -0.22 -1.61 0.00 0.00 0.00 176.54 173.81 1x6c h GLN 17 N 0.13 -0.61 -0.93 4.80 4.15 0.80 -2.84 115.11 120.62 1x6c h GLN 17 Ca 0.78 0.04 0.18 0.00 0.77 0.00 0.00 58.65 60.42 1x6c h GLN 17 Cb 2.40 0.14 -0.17 0.00 0.21 0.00 0.00 27.48 30.05 1x6c h GLN 17 CO -0.40 -0.40 -0.26 0.00 -1.93 0.00 0.00 178.83 175.84 1x6c n ALA 18 N -2.44 0.15 -0.16 3.38 0.00 -0.07 0.12 120.51 121.48 1x6c n ALA 18 Ca -0.08 1.00 -0.05 0.00 0.00 0.00 0.00 53.44 54.31 1x6c n ALA 18 Cb 0.25 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.15 -0.42 0.00 5.08 -1.32 1.51 114.58 119.27 1x6c h GLU 19 Ca 0.42 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1x6c h GLU 19 Cb 0.65 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1x6c h GLU 19 CO -0.95 -0.10 -0.18 1.15 -1.00 0.00 0.00 179.01 177.93 1x6c h THR 20 N -0.16 1.28 0.55 1.13 2.02 0.12 -1.13 112.91 116.71 1x6c h THR 20 Ca 0.22 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1x6c h THR 20 Cb 0.51 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1x6c h THR 20 CO -0.60 0.44 -0.35 -0.07 0.37 0.00 0.00 175.52 175.31 1x6c h LEU 21 N 0.69 -0.89 -0.70 2.58 4.07 0.25 1.43 115.31 122.74 1x6c h LEU 21 Ca 0.10 0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.22 1x6c h LEU 21 Cb 0.73 0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.66 1x6c h LEU 21 CO 0.06 -0.54 0.31 -0.07 -1.08 0.00 0.00 178.44 177.12 1x6c h LEU 22 N -0.86 0.37 -0.04 1.67 3.38 0.20 -1.50 115.31 118.53 1x6c h LEU 22 Ca -0.06 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x6c h LEU 22 Cb 0.70 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1x6c h LEU 22 CO 0.06 0.20 0.01 1.56 0.09 0.00 0.00 178.44 180.35 1x6c h GLN 23 N 0.52 0.06 -1.04 1.13 4.20 -0.70 0.44 115.11 119.72 1x6c h GLN 23 Ca 0.36 -0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.41 1x6c h GLN 23 Cb 0.44 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.05 1x6c h GLN 23 CO -0.31 0.24 0.60 0.00 -0.67 0.00 0.00 178.83 178.69 1x6c h ALA 24 N 0.82 2.11 0.04 3.87 0.00 0.30 0.21 119.26 126.60 1x6c h ALA 24 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x6c h ALA 24 Cb 0.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x6c h ALA 24 CO -0.00 -0.75 -0.02 -0.22 0.00 0.00 0.00 179.25 178.25 1x6c h LYS 25 N 0.23 -0.06 0.00 0.00 1.63 -0.98 -3.48 116.57 113.92 1x6c h LYS 25 Ca 0.77 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.57 1x6c h LYS 25 Cb 1.91 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.55 1x6c h LYS 25 CO -0.61 0.56 0.00 0.41 -3.45 0.00 0.00 179.45 176.36 1x6c n GLY 26 N 1.26 1.68 3.61 5.01 0.00 0.73 -4.99 105.19 112.49 1x6c n GLY 26 Ca -0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.48 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 1.99 -2.45 1.61 1.02 -1.26 -4.90 120.64 114.64 1x6c n GLU 27 Ca 0.00 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 1x6c n GLU 27 Cb 0.00 -2.80 -0.03 0.00 -0.02 0.00 0.00 31.44 28.59 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 5.14 4.41 -0.02 3.49 0.04 -1.26 -3.38 135.00 143.43 1x6c s PRO 28 Ca 0.98 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.73 1x6c s PRO 28 Cb -0.60 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1x6c s PRO 28 CO 0.46 -0.31 0.01 0.91 0.04 0.00 0.00 177.00 178.12 1x6c n TRP 29 N 4.37 -0.03 -4.03 0.56 5.03 0.27 -4.79 117.44 118.82 1x6c n TRP 29 Ca 0.09 0.01 -0.34 0.00 3.03 0.00 0.00 57.50 60.30 1x6c n TRP 29 Cb 0.47 -1.90 -0.15 0.00 -1.03 0.00 0.00 31.31 28.70 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 -3.00 2.51 0.38 -0.99 2.01 -1.11 -0.77 115.64 114.66 1x6c s THR 30 Ca 0.00 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1x6c s THR 30 Cb -0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1x6c s THR 30 CO 0.01 0.34 0.34 0.72 -0.69 0.00 0.00 174.62 175.34 1x6c s PHE 31 N 1.30 2.81 -0.28 4.92 -0.71 -1.02 0.83 117.98 125.83 1x6c s PHE 31 Ca 0.02 -0.40 -0.25 0.00 -1.04 0.00 0.00 56.93 55.26 1x6c s PHE 31 Cb -0.15 -1.99 0.11 0.00 -1.21 0.00 0.00 43.02 39.77 1x6c s PHE 31 CO -0.08 0.02 0.93 -0.48 -1.34 0.00 0.00 175.22 174.27 1x6c s LEU 32 N -4.07 -0.55 -0.15 -1.99 0.05 -0.81 -1.02 118.68 110.14 1x6c s LEU 32 Ca 0.45 1.05 -0.12 0.00 0.05 0.00 0.00 54.13 55.56 1x6c s LEU 32 Cb -0.05 2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 46.12 1x6c s LEU 32 CO 0.27 -0.19 0.24 -0.69 -0.55 0.00 0.00 176.35 175.44 1x6c s VAL 33 N 0.25 5.33 0.15 1.48 1.01 -1.23 -2.56 120.40 124.84 1x6c s VAL 33 Ca 0.02 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 1x6c s VAL 33 Cb -0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.04 0.45 0.24 0.00 0.00 0.00 0.00 175.10 175.76 1x6c s ARG 34 N 0.07 1.10 0.07 2.72 1.70 -0.67 -0.17 118.95 123.78 1x6c s ARG 34 Ca 0.15 -1.20 -0.20 0.00 -0.47 0.00 0.00 55.73 54.02 1x6c s ARG 34 Cb -0.13 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 1x6c s ARG 34 CO 0.03 -0.39 0.58 -2.00 -1.08 0.00 0.00 175.30 172.45 1x6c s GLU 35 N -3.97 4.23 -0.05 3.89 2.12 0.52 -0.05 118.70 125.39 1x6c s GLU 35 Ca 0.17 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 1x6c s GLU 35 Cb 0.04 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 1x6c s GLU 35 CO -0.01 0.62 1.02 0.45 -0.54 0.00 0.00 175.26 176.81 1x6c s SER 36 N -1.06 7.27 0.01 -1.70 0.15 -1.20 -3.89 113.70 113.28 1x6c s SER 36 Ca 0.29 1.64 -0.18 0.00 0.70 0.00 0.00 55.95 58.40 1x6c s SER 36 Cb -0.20 -2.56 -0.32 0.00 -1.71 0.00 0.00 66.02 61.23 1x6c s SER 36 CO 0.19 -0.38 0.99 -0.07 1.20 0.00 0.00 173.24 175.18 1x6c h LEU 37 N 7.44 0.71 -1.12 3.45 4.07 -1.94 -3.24 115.31 124.68 1x6c h LEU 37 Ca -0.36 -0.90 -0.07 0.00 0.08 0.00 0.00 57.88 56.63 1x6c h LEU 37 Cb 1.18 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1x6c h LEU 37 CO 0.81 1.55 -0.34 -1.28 -1.08 0.00 0.00 178.44 178.11 1x6c h SER 38 N -0.02 0.00 -3.56 -0.43 0.87 -1.97 -3.37 113.55 105.07 1x6c h SER 38 Ca -0.19 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.75 1x6c h SER 38 Cb 1.88 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 63.44 1x6c h SER 38 CO 0.22 0.34 -0.72 -1.10 -0.53 0.00 0.00 176.83 175.03 1x6c s GLN 39 N -3.77 1.25 -0.38 2.24 1.11 -1.22 -5.08 119.66 113.81 1x6c s GLN 39 Ca -0.01 -1.79 -0.29 0.00 0.01 0.00 0.00 55.36 53.29 1x6c s GLN 39 Cb 0.12 -2.56 0.01 0.00 -1.01 0.00 0.00 33.01 29.57 1x6c s GLN 39 CO 0.68 -1.05 1.39 -1.25 0.01 0.00 0.00 175.29 175.06 1x6c s PRO 40 N 0.76 3.67 0.00 2.91 0.04 -1.23 -2.72 135.00 138.42 1x6c s PRO 40 Ca 0.14 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1x6c s PRO 40 Cb -0.21 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1x6c s PRO 40 CO -0.09 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1x6c n GLY 41 N 4.87 1.28 0.54 0.56 0.00 -1.26 -5.11 105.19 106.06 1x6c n GLY 41 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1x6c n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x6c n ASP 42 N 0.00 0.24 -3.91 1.61 2.03 -1.10 -4.90 116.55 110.52 1x6c n ASP 42 Ca 0.00 -1.19 -0.10 0.00 0.52 0.00 0.00 54.79 54.03 1x6c n ASP 42 Cb 0.00 -0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 40.23 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1x6c s PHE 43 N 0.16 0.16 0.05 -0.67 0.08 -1.22 -3.27 117.98 113.27 1x6c s PHE 43 Ca 0.09 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.78 1x6c s PHE 43 Cb -0.01 -0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1x6c s PHE 43 CO 0.06 -0.37 -0.21 0.08 -0.10 0.00 0.00 175.22 174.68 1x6c s VAL 44 N -2.49 2.57 -0.35 -0.44 1.01 0.92 -0.53 120.40 121.09 1x6c s VAL 44 Ca -0.06 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1x6c s VAL 44 Cb -0.02 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1x6c s VAL 44 CO -0.04 0.32 0.08 -0.22 0.00 0.00 0.00 175.10 175.25 1x6c s LEU 45 N -1.44 4.14 -0.29 3.92 2.96 -0.59 -1.67 118.68 125.71 1x6c s LEU 45 Ca 0.14 -2.14 -0.18 0.00 -0.22 0.00 0.00 54.13 51.72 1x6c s LEU 45 Cb -0.10 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1x6c s LEU 45 CO 0.04 -0.37 0.53 -0.44 -1.32 0.00 0.00 176.35 174.80 1x6c s SER 46 N 0.93 6.41 -0.08 3.68 0.01 -1.06 0.19 113.70 123.78 1x6c s SER 46 Ca 0.11 0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.76 1x6c s SER 46 Cb -0.19 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1x6c s SER 46 CO -0.11 -0.38 -0.19 -0.69 0.41 0.00 0.00 173.24 172.28 1x6c s VAL 47 N 2.39 2.53 -0.03 3.43 1.01 0.12 -1.92 120.40 127.93 1x6c s VAL 47 Ca 0.21 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1x6c s VAL 47 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1x6c s VAL 47 CO 0.11 0.56 0.75 -0.22 0.00 0.00 0.00 175.10 176.30 1x6c s LEU 48 N -0.06 4.36 0.25 3.92 2.96 0.24 -1.58 118.68 128.78 1x6c s LEU 48 Ca -0.05 1.31 0.05 0.00 -0.22 0.00 0.00 54.13 55.23 1x6c s LEU 48 Cb -0.14 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1x6c s LEU 48 CO 0.04 -0.09 0.35 -0.94 -1.32 0.00 0.00 176.35 174.39 1x6c s SER 49 N 0.58 6.16 -0.15 3.68 1.04 -1.21 0.96 113.70 124.76 1x6c s SER 49 Ca 0.39 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.89 1x6c s SER 49 Cb -0.19 -1.71 0.45 0.00 0.10 0.00 0.00 66.02 64.67 1x6c s SER 49 CO 0.21 -0.12 1.24 -0.90 0.98 0.00 0.00 173.24 174.65 1x6c n ASP 50 N -1.41 3.64 -4.27 7.02 5.75 -1.26 -4.59 116.55 121.44 1x6c n ASP 50 Ca -0.08 -2.57 -0.38 0.00 -0.01 0.00 0.00 54.79 51.75 1x6c n ASP 50 Cb 0.57 -0.62 -0.12 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 -1.98 2.60 0.99 0.11 -0.21 -1.26 -5.07 119.66 114.84 1x6c s GLN 51 Ca 0.31 -1.24 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 1x6c s GLN 51 Cb 0.24 -3.52 0.19 0.00 1.00 0.00 0.00 33.01 30.91 1x6c s GLN 51 CO 0.09 -0.73 1.17 -1.25 -2.12 0.00 0.00 175.29 172.46 1x6c s PRO 52 N 1.40 0.48 -0.21 2.91 0.04 -1.26 -2.13 135.00 136.22 1x6c s PRO 52 Ca -0.00 0.04 -0.09 0.00 0.04 0.00 0.00 61.00 60.99 1x6c s PRO 52 Cb -0.20 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 1x6c s PRO 52 CO 0.03 -2.60 0.02 1.63 0.04 0.00 0.00 177.00 176.11 1x6c n LYS 53 N -4.00 0.65 -0.02 4.56 5.02 -1.19 -4.64 118.16 118.54 1x6c n LYS 53 Ca 0.10 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.68 1x6c n LYS 53 Cb 0.59 -1.62 -0.06 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 -3.42 1.97 0.00 7.82 0.00 -1.26 -5.11 120.51 120.50 1x6c n ALA 54 Ca -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1x6c n ALA 54 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 2.42 0.23 3.60 0.00 0.00 -1.26 -4.96 105.19 105.23 1x6c n GLY 55 Ca -0.08 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 3.61 0.00 1.61 0.04 -1.26 -2.25 135.00 136.75 1x6c s PRO 56 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1x6c s PRO 56 Cb 0.00 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1x6c s PRO 56 CO 0.00 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1x6c n GLY 57 N 5.00 0.84 3.57 0.56 0.00 -1.26 -5.10 105.19 108.79 1x6c n GLY 57 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.74 4.31 0.32 1.61 1.04 -0.96 -5.05 113.70 113.23 1x6c s SER 58 Ca 0.00 -0.47 -0.28 0.00 0.48 0.00 0.00 55.95 55.68 1x6c s SER 58 Cb 0.00 -0.78 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1x6c s SER 58 CO 0.00 0.15 1.07 -2.16 0.98 0.00 0.00 173.24 173.28 1x6c s PRO 59 N -2.45 4.49 -0.03 4.02 0.04 -1.26 -4.71 135.00 135.10 1x6c s PRO 59 Ca 0.22 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1x6c s PRO 59 Cb -0.10 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1x6c s PRO 59 CO 0.14 0.11 1.14 -0.51 0.04 0.00 0.00 177.00 177.92 1x6c s LEU 60 N -1.85 4.31 1.03 -3.56 1.43 -1.26 -3.19 118.68 115.58 1x6c s LEU 60 Ca 0.49 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.19 1x6c s LEU 60 Cb -0.28 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 1x6c s LEU 60 CO 0.36 -0.49 -0.57 0.54 0.23 0.00 0.00 176.35 176.42 1x6c n ARG 61 N 4.67 -0.52 -4.32 1.70 1.74 -0.91 -4.76 116.66 114.27 1x6c n ARG 61 Ca 0.09 -0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 1x6c n ARG 61 Cb 0.47 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.14 1.58 -0.15 1.55 1.01 -1.26 -3.36 120.40 117.63 1x6c s VAL 62 Ca 0.47 -1.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1x6c s VAL 62 Cb -0.08 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1x6c s VAL 62 CO 0.70 -0.05 -0.09 -0.89 0.00 0.00 0.00 175.10 174.77 1x6c s THR 63 N -1.11 1.30 -0.36 3.92 2.01 -0.62 -4.98 115.64 115.80 1x6c s THR 63 Ca 0.05 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 1x6c s THR 63 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1x6c s THR 63 CO 0.03 0.31 0.31 -1.00 -0.69 0.00 0.00 174.62 173.58 1x6c s HIS 64 N 1.58 3.22 -0.72 4.92 3.76 -1.26 0.14 115.29 126.93 1x6c s HIS 64 Ca 0.03 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 1x6c s HIS 64 Cb -0.14 -2.60 0.19 0.00 1.11 0.00 0.00 32.58 31.14 1x6c s HIS 64 CO -0.09 -0.45 0.64 0.42 -0.85 0.00 0.00 174.74 174.42 1x6c s ILE 65 N 1.85 5.23 0.42 0.60 1.09 0.52 -4.85 121.20 126.06 1x6c s ILE 65 Ca 0.08 -2.25 -0.26 0.00 -1.10 0.00 0.00 60.65 57.13 1x6c s ILE 65 Cb -0.17 -4.29 -0.10 0.00 -1.06 0.00 0.00 42.46 36.84 1x6c s ILE 65 CO 0.11 -0.96 1.31 0.29 -0.10 0.00 0.00 174.94 175.59 1x6c n LYS 66 N 4.29 2.03 -3.97 2.79 5.02 -1.26 -1.54 118.16 125.52 1x6c n LYS 66 Ca 0.05 0.72 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 1x6c n LYS 66 Cb 0.44 -2.43 -0.14 0.00 -0.02 0.00 0.00 35.03 32.88 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 -1.19 2.61 -0.10 -0.18 1.01 0.31 -4.23 120.40 118.64 1x6c s VAL 67 Ca 0.60 -1.67 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1x6c s VAL 67 Cb -0.50 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1x6c s VAL 67 CO 0.59 -0.20 0.95 -0.04 0.00 0.00 0.00 175.10 176.40 1x6c s MET 68 N 1.14 4.42 -0.59 2.72 -1.94 0.42 -3.37 119.30 122.09 1x6c s MET 68 Ca -0.03 1.30 -0.05 0.00 -1.71 0.00 0.00 55.69 55.19 1x6c s MET 68 Cb -0.20 -3.53 0.15 0.00 2.01 0.00 0.00 34.83 33.26 1x6c s MET 68 CO -0.04 -0.25 0.43 0.00 -0.01 0.00 0.00 175.02 175.15 1x6c s GLU 70 N 0.40 1.53 -1.32 0.00 -1.05 0.05 -4.73 118.70 113.58 1x6c s GLU 70 Ca 0.14 -0.45 -0.02 0.00 -0.15 0.00 0.00 54.97 54.48 1x6c s GLU 70 Cb -0.20 -1.32 0.00 0.00 -0.44 0.00 0.00 34.13 32.17 1x6c s GLU 70 CO -0.04 0.13 0.30 0.41 0.95 0.00 0.00 175.26 177.01 1x6c n GLY 71 N 3.44 -0.29 2.38 -3.83 0.00 -1.26 -1.60 105.19 104.02 1x6c n GLY 71 Ca -0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.24 0.73 3.17 -0.02 0.00 -1.26 -4.99 105.19 101.58 1x6c n GLY 72 Ca -0.13 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.98 1.19 -0.09 1.61 0.52 -0.63 -4.69 118.95 112.88 1x6c s ARG 73 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1x6c s ARG 73 Cb 0.00 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 1x6c s ARG 73 CO 0.00 0.31 0.05 0.71 0.02 0.00 0.00 175.30 176.39 1x6c s TYR 74 N -0.63 3.30 -0.01 -0.53 2.02 0.86 -0.77 117.35 121.60 1x6c s TYR 74 Ca 0.05 0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.81 1x6c s TYR 74 Cb -0.07 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1x6c s TYR 74 CO 0.01 0.56 0.52 -0.08 -1.57 0.00 0.00 175.55 174.98 1x6c s THR 75 N -0.94 0.03 -2.20 -0.71 -1.32 0.04 -0.74 115.64 109.80 1x6c s THR 75 Ca 0.14 -0.22 0.19 0.00 -1.21 0.00 0.00 61.69 60.59 1x6c s THR 75 Cb -0.12 -0.88 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1x6c s THR 75 CO 0.03 -0.12 1.43 1.33 -2.21 0.00 0.00 174.62 175.08 1x6c n VAL 76 N 0.86 0.50 0.00 5.08 0.24 -1.26 0.16 118.33 123.91 1x6c n VAL 76 Ca -0.20 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1x6c n VAL 76 Cb 0.58 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.31 1.20 3.95 7.63 0.00 -1.26 -4.80 105.19 113.22 1x6c n GLY 77 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.27 2.06 0.07 -0.02 0.00 -1.26 -5.04 107.32 101.86 1x6c s GLY 78 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 44.72 42.74 1x6c s GLY 78 CO 0.00 -1.73 1.58 1.41 0.00 0.00 0.00 173.10 174.36 1x6c h LEU 79 N 0.66 0.19 -9.70 0.66 -0.00 -2.01 -3.43 115.31 101.68 1x6c h LEU 79 Ca -0.37 -0.20 -0.57 0.00 -0.00 0.00 0.00 57.88 56.74 1x6c h LEU 79 Cb 1.28 -0.05 0.11 0.00 -0.00 0.00 0.00 40.66 42.00 1x6c h LEU 79 CO 0.51 0.34 0.47 -0.62 -0.00 0.00 0.00 178.44 179.14 1x6c n GLU 80 N -4.87 2.03 -3.56 1.13 1.02 -1.26 -5.00 120.64 110.13 1x6c n GLU 80 Ca -0.05 0.71 -0.16 0.00 -0.02 0.00 0.00 57.16 57.63 1x6c n GLU 80 Cb 0.14 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.24 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 0.50 0.00 -3.71 2.62 -2.24 -1.26 -4.66 114.28 105.52 1x6c n THR 81 Ca 0.06 -1.54 -0.10 0.00 -2.27 0.00 0.00 64.05 60.20 1x6c n THR 81 Cb 0.35 0.55 -0.04 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 -2.54 -0.16 -0.22 4.78 0.08 0.08 -4.89 117.98 115.11 1x6c s PHE 82 Ca 0.13 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.08 1x6c s PHE 82 Cb 0.01 0.40 -0.18 0.00 -0.57 0.00 0.00 43.02 42.68 1x6c s PHE 82 CO 0.09 -0.91 -0.11 -0.25 -0.10 0.00 0.00 175.22 173.95 1x6c n ASP 83 N -0.34 1.51 -4.25 1.36 9.92 -1.26 -0.10 116.55 123.39 1x6c n ASP 83 Ca -0.11 -0.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.79 1x6c n ASP 83 Cb 0.63 0.13 -0.15 0.00 -0.64 0.00 0.00 41.12 41.08 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1x6c s SER 84 N -5.91 2.60 0.44 -2.24 1.04 -1.26 -4.83 113.70 103.53 1x6c s SER 84 Ca -0.23 -0.43 0.20 0.00 0.48 0.00 0.00 55.95 55.96 1x6c s SER 84 Cb 0.07 -0.28 1.15 0.00 0.10 0.00 0.00 66.02 67.06 1x6c s SER 84 CO 0.63 0.25 1.87 -0.07 0.98 0.00 0.00 173.24 176.90 1x6c h LEU 85 N 5.43 0.34 -0.25 2.42 -0.00 -1.99 0.14 115.31 121.40 1x6c h LEU 85 Ca -0.41 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.52 1x6c h LEU 85 Cb 1.14 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 1x6c h LEU 85 CO 0.47 0.14 0.14 0.74 -0.00 0.00 0.00 178.44 179.92 1x6c h THR 86 N 0.34 1.02 0.00 0.22 2.02 -1.94 0.51 112.91 115.07 1x6c h THR 86 Ca 0.45 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1x6c h THR 86 Cb 1.23 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1x6c h THR 86 CO -0.15 0.05 0.00 0.44 0.37 0.00 0.00 175.52 176.24 1x6c h ASP 87 N 0.29 0.00 0.06 4.18 5.19 -1.15 1.09 116.42 126.08 1x6c h ASP 87 Ca 0.10 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.32 1x6c h ASP 87 Cb 0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1x6c h ASP 87 CO -0.05 0.00 -0.99 0.25 -3.12 0.00 0.00 179.24 175.32 1x6c h LEU 88 N 0.00 0.19 -0.19 1.55 6.46 -0.22 -3.01 115.31 120.09 1x6c h LEU 88 Ca 0.00 -0.80 -0.13 0.00 -0.12 0.00 0.00 57.88 56.83 1x6c h LEU 88 Cb 0.23 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1x6c h LEU 88 CO 0.00 1.42 -0.40 0.58 -0.62 0.00 0.00 178.44 179.42 1x6c h VAL 89 N -0.67 1.33 0.00 1.05 2.07 0.45 -2.50 116.25 117.98 1x6c h VAL 89 Ca -0.23 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1x6c h VAL 89 Cb 1.44 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1x6c h VAL 89 CO -0.03 0.51 0.00 -0.62 0.02 0.00 0.00 177.57 177.45 1x6c n GLU 90 N -4.25 0.16 -0.08 1.57 1.02 0.37 -0.08 120.64 119.36 1x6c n GLU 90 Ca -0.06 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1x6c n GLU 90 Cb 0.54 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.31 -3.37 115.15 112.91 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 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1x6c h HIS 91 CO 0.00 0.54 0.00 1.19 -1.30 0.00 0.00 177.93 178.36 1x6c n PHE 92 N -4.57 0.00 0.20 5.26 3.72 -0.98 -3.20 117.46 117.89 1x6c n PHE 92 Ca -0.15 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.35 1x6c n PHE 92 Cb 0.39 -0.37 0.52 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.37 0.14 0.02 -1.08 5.02 0.89 -0.02 118.16 121.76 1x6c n LYS 93 Ca 0.11 0.58 -0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1x6c n LYS 93 Cb 0.27 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 -2.18 0.02 -0.25 1.97 2.85 -1.19 -4.36 118.16 115.02 1x6c n LYS 94 Ca -0.01 0.01 0.16 0.00 -1.05 0.00 0.00 58.31 57.42 1x6c n LYS 94 Cb 0.07 -0.33 0.45 0.00 -0.65 0.00 0.00 35.03 34.58 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 0.75 0.00 0.58 1.35 -1.62 -3.48 112.91 110.45 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 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1x6c h THR 95 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1x6c n GLY 96 N -1.48 -1.57 3.63 5.82 0.00 0.97 -4.97 105.19 107.60 1x6c n GLY 96 Ca 0.18 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.67 3.67 -0.16 -0.61 1.01 0.39 -4.84 121.20 118.99 1x6c s ILE 97 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.42 1x6c s ILE 97 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1x6c s ILE 97 CO 0.00 0.08 -0.01 -0.70 0.00 0.00 0.00 174.94 174.31 1x6c s GLU 98 N -2.36 3.69 0.88 2.79 2.12 -1.26 0.19 118.70 124.74 1x6c s GLU 98 Ca 0.24 -0.46 -0.14 0.00 0.36 0.00 0.00 54.97 54.97 1x6c s GLU 98 Cb -0.11 -2.99 0.20 0.00 0.26 0.00 0.00 34.13 31.49 1x6c s GLU 98 CO 0.16 0.30 1.19 0.39 -0.54 0.00 0.00 175.26 176.76 1x6c n GLU 99 N 3.39 -1.12 0.00 4.30 1.02 0.24 -4.96 120.64 123.51 1x6c n GLU 99 Ca -0.17 -1.90 0.13 0.00 -0.02 0.00 0.00 57.16 55.19 1x6c n GLU 99 Cb 0.52 -1.21 0.35 0.00 -0.02 0.00 0.00 31.44 31.08 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 -3.73 2.84 1.01 0.62 0.00 -1.26 -3.57 120.51 116.42 1x6c n ALA 100 Ca -0.19 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 52.86 1x6c n ALA 100 Cb 0.53 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 0.06 1.87 0.00 0.00 7.64 -1.26 -4.94 113.62 116.99 1x6c n SER 101 Ca 0.15 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1x6c n SER 101 Cb 0.40 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.42 2.79 3.81 0.23 0.00 -1.23 -5.06 105.19 107.15 1x6c n GLY 102 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.72 2.83 0.28 4.61 0.00 -1.26 -4.75 121.76 120.75 1x6c s ALA 103 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.42 1x6c s ALA 103 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1x6c s ALA 103 CO 0.00 -0.61 0.08 -0.06 0.00 0.00 0.00 175.76 175.17 1x6c s PHE 104 N -2.43 2.80 0.03 0.00 0.40 -1.26 0.83 117.98 118.35 1x6c s PHE 104 Ca 0.63 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1x6c s PHE 104 Cb -0.15 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1x6c s PHE 104 CO 0.33 0.53 -0.09 0.08 0.70 0.00 0.00 175.22 176.78 1x6c s VAL 105 N -2.30 0.67 0.09 -0.44 1.01 0.49 -4.89 120.40 115.03 1x6c s VAL 105 Ca 0.33 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1x6c s VAL 105 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1x6c s VAL 105 CO 0.22 -0.19 -0.13 -0.31 0.00 0.00 0.00 175.10 174.69 1x6c s TYR 106 N -1.01 1.18 -0.54 5.22 2.02 -1.26 0.15 117.35 123.10 1x6c s TYR 106 Ca -0.05 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.97 1x6c s TYR 106 Cb -0.08 -0.65 0.13 0.00 -0.40 0.00 0.00 41.96 40.97 1x6c s TYR 106 CO 0.01 0.05 0.48 -0.51 -1.57 0.00 0.00 175.55 174.01 1x6c s LEU 107 N -2.08 6.11 0.01 -1.29 1.02 -1.26 -4.43 118.68 116.76 1x6c s LEU 107 Ca 0.02 -1.88 -0.10 0.00 0.02 0.00 0.00 54.13 52.19 1x6c s LEU 107 Cb -0.07 -2.16 -0.32 0.00 0.02 0.00 0.00 46.19 43.66 1x6c s LEU 107 CO 0.02 -0.80 0.91 0.03 0.02 0.00 0.00 176.35 176.52 1x6c h ARG 108 N 8.71 0.40 -1.90 1.70 3.08 -1.26 -3.45 114.38 121.66 1x6c h ARG 108 Ca -0.25 -0.68 -0.02 0.00 0.07 0.00 0.00 59.98 59.09 1x6c h ARG 108 Cb 1.09 0.25 -0.21 0.00 0.08 0.00 0.00 29.97 31.19 1x6c h ARG 108 CO 0.98 1.31 0.26 1.14 -1.07 0.00 0.00 179.97 182.58 1x6c s GLN 109 N -2.61 0.90 1.06 0.04 -2.07 -1.06 -5.07 119.66 110.86 1x6c s GLN 109 Ca -0.10 0.40 -0.17 0.00 -1.82 0.00 0.00 55.36 53.67 1x6c s GLN 109 Cb 0.05 0.43 0.23 0.00 -1.09 0.00 0.00 33.01 32.63 1x6c s GLN 109 CO 0.89 -0.24 1.21 -1.25 -1.32 0.00 0.00 175.29 174.58 1x6c s PRO 110 N -0.79 -0.10 0.10 9.60 0.04 -1.26 -2.44 135.00 140.15 1x6c s PRO 110 Ca -0.06 -0.18 0.07 0.00 0.04 0.00 0.00 61.00 60.87 1x6c s PRO 110 Cb -0.01 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1x6c s PRO 110 CO 0.06 -2.94 -0.12 -0.47 0.04 0.00 0.00 177.00 173.57 1x6c s TYR 111 N -3.44 2.70 0.32 0.56 5.04 -0.19 -4.73 117.35 117.62 1x6c s TYR 111 Ca 0.71 -0.17 0.09 0.00 -2.44 0.00 0.00 57.07 55.26 1x6c s TYR 111 Cb -0.08 -1.43 -0.06 0.00 0.35 0.00 0.00 41.96 40.74 1x6c s TYR 111 CO 0.54 0.41 -0.09 0.71 -1.34 0.00 0.00 175.55 175.78 1x6c s TYR 112 N -1.18 2.27 -0.11 4.97 2.02 -1.26 -4.80 117.35 119.27 1x6c s TYR 112 Ca 0.20 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1x6c s TYR 112 Cb -0.11 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.22 1x6c s TYR 112 CO 0.12 0.51 0.21 0.45 -1.57 0.00 0.00 175.55 175.27 1x6c s SER 113 N -3.56 0.52 0.06 2.29 0.15 -1.26 -5.08 113.70 106.83 1x6c s SER 113 Ca 0.31 0.46 -0.16 0.00 0.70 0.00 0.00 55.95 57.27 1x6c s SER 113 Cb 0.02 0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 64.75 1x6c s SER 113 CO 0.15 -0.24 0.49 -0.83 1.20 0.00 0.00 173.24 174.01 1x6c s GLY 114 N 2.31 2.53 0.24 9.45 0.00 -1.26 -5.06 107.32 115.53 1x6c s GLY 114 Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1x6c s GLY 114 CO -0.07 0.23 1.09 2.56 0.00 0.00 0.00 173.10 176.91 1x6c s PRO 115 N -1.34 4.63 -0.28 2.90 0.04 -1.26 -5.03 135.00 134.66 1x6c s PRO 115 Ca 0.29 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 1x6c s PRO 115 Cb -0.17 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.17 1x6c s PRO 115 CO 0.17 0.18 0.02 -1.12 0.04 0.00 0.00 177.00 176.29 1x6c s SER 116 N -0.63 4.83 0.00 6.66 0.01 -1.26 -5.05 113.70 118.26 1x6c s SER 116 Ca 0.46 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1x6c s SER 116 Cb -0.31 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1x6c s SER 116 CO 0.38 -0.19 0.00 -1.54 0.41 0.00 0.00 173.24 172.30 1x6c n SER 117 N 4.76 0.00 0.00 2.44 3.41 -1.26 -5.36 113.62 117.60 1x6c n SER 117 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1x6c n SER 117 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49