#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6c h SER 2 N 0.00 -1.65 -1.66 1.61 0.87 -2.13 -3.42 113.55 107.17 1x6c h SER 2 Ca 0.00 0.23 -0.60 0.00 -1.23 0.00 0.00 61.79 60.19 1x6c h SER 2 Cb 0.00 0.70 -0.11 0.00 -0.44 0.00 0.00 62.40 62.55 1x6c h SER 2 CO 0.00 -0.39 -0.56 -0.94 -0.53 0.00 0.00 176.83 174.41 1x6c s SER 3 N -5.06 4.11 0.00 6.23 1.04 -1.26 -5.15 113.70 113.61 1x6c s SER 3 Ca -0.15 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1x6c s SER 3 Cb 0.10 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1x6c s SER 3 CO 0.63 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1x6c n GLY 4 N -1.07 0.61 3.05 7.32 0.00 -1.26 -5.10 105.19 108.73 1x6c n GLY 4 Ca -0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.00 -1.17 -0.09 1.61 0.01 -1.26 -5.04 113.70 106.76 1x6c s SER 5 Ca 0.00 -1.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 1x6c s SER 5 Cb 0.00 1.76 0.00 0.00 0.21 0.00 0.00 66.02 67.99 1x6c s SER 5 CO 0.00 -0.15 0.01 -1.20 0.41 0.00 0.00 173.24 172.31 1x6c n SER 6 N 4.05 -6.78 -2.90 2.44 7.64 -1.26 -4.95 113.62 111.85 1x6c n SER 6 Ca 0.13 0.78 -0.19 0.00 1.01 0.00 0.00 58.87 60.61 1x6c n SER 6 Cb 0.55 -2.76 -0.01 0.00 -1.01 0.00 0.00 64.21 60.98 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 1.28 3.78 0.07 0.23 0.00 -1.26 -4.78 105.19 104.51 1x6c n GLY 7 Ca -0.02 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.02 0.00 -1.52 1.61 4.27 -1.26 -4.57 117.44 115.95 1x6c n TRP 8 Ca 0.24 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.41 1x6c n TRP 8 Cb 0.65 -0.65 -0.06 0.00 -1.36 0.00 0.00 31.31 29.89 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 -2.58 1.55 0.27 -2.67 9.36 -1.26 -3.34 117.16 118.49 1x6c n TYR 9 Ca -0.23 0.13 0.05 0.00 3.32 0.00 0.00 57.90 61.17 1x6c n TYR 9 Cb 0.91 -2.60 0.21 0.00 -0.63 0.00 0.00 39.34 37.23 1x6c n TYR 9 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1x6c n HIS 10 N 12.17 0.90 0.00 2.98 8.25 -0.57 -4.98 115.22 133.98 1x6c n HIS 10 Ca 0.39 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1x6c n HIS 10 Cb 0.36 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1x6c n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x6c n GLY 11 N 0.68 2.02 2.46 -1.41 0.00 -1.26 -4.26 105.19 103.42 1x6c n GLY 11 Ca 0.15 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1x6c n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x6c s HIS 12 N 0.00 1.23 0.39 1.61 -3.43 -1.26 -2.89 115.29 110.94 1x6c s HIS 12 Ca 0.00 -2.24 -0.04 0.00 -0.80 0.00 0.00 55.06 51.98 1x6c s HIS 12 Cb 0.00 -1.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.01 1x6c s HIS 12 CO 0.00 -0.81 0.67 1.41 -2.00 0.00 0.00 174.74 174.01 1x6c s MET 13 N 0.21 3.57 -0.18 -0.38 0.00 -1.26 -4.83 119.30 116.43 1x6c s MET 13 Ca 0.28 0.03 -0.12 0.00 0.00 0.00 0.00 55.69 55.88 1x6c s MET 13 Cb -0.05 -2.52 -0.05 0.00 0.00 0.00 0.00 34.83 32.22 1x6c s MET 13 CO -0.14 0.00 0.23 -1.12 0.00 0.00 0.00 175.02 174.00 1x6c s SER 14 N -3.78 6.35 0.09 1.11 0.01 -1.26 -4.39 113.70 111.82 1x6c s SER 14 Ca 0.45 0.40 -0.18 0.00 1.31 0.00 0.00 55.95 57.93 1x6c s SER 14 Cb -0.10 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1x6c s SER 14 CO 0.38 0.13 1.24 0.61 0.41 0.00 0.00 173.24 176.01 1x6c n GLY 15 N 3.43 -2.62 0.32 3.44 0.00 -1.26 0.81 105.19 109.31 1x6c n GLY 15 Ca -0.13 0.89 0.14 0.00 0.00 0.00 0.00 46.02 46.92 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 1.61 0.71 -0.02 0.00 -2.00 -1.77 103.07 101.59 1x6c h GLY 16 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1x6c h GLY 16 CO -0.54 -0.25 -0.34 -1.61 0.00 0.00 0.00 176.54 173.80 1x6c h GLN 17 N 0.45 -0.92 -0.89 4.80 4.15 0.01 -2.70 115.11 120.02 1x6c h GLN 17 Ca 0.57 0.06 0.15 0.00 0.77 0.00 0.00 58.65 60.21 1x6c h GLN 17 Cb 1.07 0.21 -0.15 0.00 0.21 0.00 0.00 27.48 28.82 1x6c h GLN 17 CO -0.51 -0.61 -0.31 0.00 -1.93 0.00 0.00 178.83 175.47 1x6c n ALA 18 N -2.48 -0.00 -0.23 3.38 0.00 0.62 0.17 120.51 121.98 1x6c n ALA 18 Ca -0.12 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1x6c n ALA 18 Cb 0.37 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 -0.26 0.00 5.08 -1.20 1.56 114.58 119.76 1x6c h GLU 19 Ca 0.35 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1x6c h GLU 19 Cb 0.57 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1x6c h GLU 19 CO -0.90 0.00 -0.23 1.15 -1.00 0.00 0.00 179.01 178.04 1x6c h THR 20 N 0.00 1.31 0.45 1.13 2.02 0.20 -0.52 112.91 117.51 1x6c h THR 20 Ca 0.32 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1x6c h THR 20 Cb 0.49 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1x6c h THR 20 CO -0.68 0.43 -0.32 -0.07 0.37 0.00 0.00 175.52 175.25 1x6c h LEU 21 N 0.33 -0.82 -0.70 2.58 4.07 0.26 1.47 115.31 122.50 1x6c h LEU 21 Ca 0.05 0.06 0.08 0.00 0.08 0.00 0.00 57.88 58.14 1x6c h LEU 21 Cb 0.78 0.26 -0.06 0.00 1.08 0.00 0.00 40.66 42.71 1x6c h LEU 21 CO 0.06 -0.48 0.37 -0.07 -1.08 0.00 0.00 178.44 177.24 1x6c h LEU 22 N -0.75 0.52 -0.47 1.67 3.38 0.21 -1.21 115.31 118.66 1x6c h LEU 22 Ca -0.05 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1x6c h LEU 22 Cb 0.63 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1x6c h LEU 22 CO 0.02 0.32 0.14 1.56 0.09 0.00 0.00 178.44 180.57 1x6c h GLN 23 N 0.66 0.73 -1.00 1.13 4.20 -0.54 0.19 115.11 120.47 1x6c h GLN 23 Ca 0.33 -0.16 0.20 0.00 0.06 0.00 0.00 58.65 59.08 1x6c h GLN 23 Cb 0.28 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 27.85 1x6c h GLN 23 CO -0.23 0.70 0.61 0.00 -0.67 0.00 0.00 178.83 179.25 1x6c h ALA 24 N 1.00 1.75 0.03 3.87 0.00 0.32 -1.52 119.26 124.72 1x6c h ALA 24 Ca 0.15 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x6c h ALA 24 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1x6c h ALA 24 CO -0.00 -0.13 -0.02 -0.22 0.00 0.00 0.00 179.25 178.88 1x6c h LYS 25 N 0.70 -0.04 0.00 0.00 1.63 -0.84 -3.48 116.57 114.55 1x6c h LYS 25 Ca 0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1x6c h LYS 25 Cb 0.98 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1x6c h LYS 25 CO -0.37 0.64 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 1x6c n GLY 26 N 1.21 2.24 3.56 5.01 0.00 0.61 -4.98 105.19 112.84 1x6c n GLY 26 Ca -0.08 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.41 1x6c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6c n GLU 27 N -2.00 1.23 -2.47 1.61 1.02 -1.26 -4.88 120.64 113.89 1x6c n GLU 27 Ca 0.00 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 1x6c n GLU 27 Cb 0.00 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 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 5.07 4.51 -0.30 3.49 0.04 -1.26 -3.54 135.00 143.01 1x6c s PRO 28 Ca 1.04 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.81 1x6c s PRO 28 Cb -0.92 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 30.30 1x6c s PRO 28 CO 0.55 -0.09 0.26 0.91 0.04 0.00 0.00 177.00 178.67 1x6c n TRP 29 N 3.15 -0.59 -4.07 0.56 5.03 0.31 -4.82 117.44 117.01 1x6c n TRP 29 Ca 0.06 0.24 -0.32 0.00 3.03 0.00 0.00 57.50 60.51 1x6c n TRP 29 Cb 0.46 -2.83 -0.16 0.00 -1.03 0.00 0.00 31.31 27.75 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 -3.10 1.86 0.37 -0.99 2.01 -1.09 -1.38 115.64 113.33 1x6c s THR 30 Ca 0.03 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.24 1x6c s THR 30 Cb -0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1x6c s THR 30 CO 0.19 0.46 0.30 0.72 -0.69 0.00 0.00 174.62 175.61 1x6c s PHE 31 N 1.36 2.79 -0.25 4.92 -0.71 -1.05 0.99 117.98 126.03 1x6c s PHE 31 Ca 0.04 -0.40 -0.26 0.00 -1.04 0.00 0.00 56.93 55.27 1x6c s PHE 31 Cb -0.13 -1.94 0.11 0.00 -1.21 0.00 0.00 43.02 39.85 1x6c s PHE 31 CO -0.12 0.08 0.94 -0.48 -1.34 0.00 0.00 175.22 174.30 1x6c s LEU 32 N -4.03 -0.52 -0.14 -1.99 0.05 -0.81 -0.31 118.68 110.93 1x6c s LEU 32 Ca 0.43 0.95 -0.13 0.00 0.05 0.00 0.00 54.13 55.44 1x6c s LEU 32 Cb -0.04 2.05 -0.05 0.00 -2.05 0.00 0.00 46.19 46.11 1x6c s LEU 32 CO 0.26 -0.22 0.27 -0.69 -0.55 0.00 0.00 176.35 175.43 1x6c s VAL 33 N 0.06 5.31 -0.09 1.48 1.01 -1.21 -2.73 120.40 124.22 1x6c s VAL 33 Ca 0.01 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1x6c s VAL 33 Cb -0.04 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1x6c s VAL 33 CO -0.03 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.74 1x6c s ARG 34 N 0.13 0.23 0.22 2.72 1.70 -0.99 -1.51 118.95 121.45 1x6c s ARG 34 Ca 0.16 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.55 1x6c s ARG 34 Cb -0.13 -0.01 -0.10 0.00 -0.57 0.00 0.00 34.95 34.14 1x6c s ARG 34 CO 0.04 -0.11 1.43 -1.21 -1.08 0.00 0.00 175.30 174.38 1x6c s GLU 35 N 0.76 4.28 -0.48 3.89 2.02 -1.14 -1.40 118.70 126.62 1x6c s GLU 35 Ca -0.05 2.25 -0.28 0.00 0.02 0.00 0.00 54.97 56.90 1x6c s GLU 35 Cb -0.07 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 31.03 1x6c s GLU 35 CO -0.05 -0.42 1.47 0.45 0.02 0.00 0.00 175.26 176.74 1x6c s SER 36 N 0.54 6.14 0.26 -0.19 0.15 -1.21 -4.08 113.70 115.30 1x6c s SER 36 Ca 0.61 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 1x6c s SER 36 Cb -0.41 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 61.67 1x6c s SER 36 CO 0.39 -1.64 1.81 -0.07 1.20 0.00 0.00 173.24 174.94 1x6c h LEU 37 N 12.99 0.91 -0.46 3.45 4.07 -1.92 -2.11 115.31 132.24 1x6c h LEU 37 Ca -0.28 -0.15 -0.17 0.00 0.08 0.00 0.00 57.88 57.37 1x6c h LEU 37 Cb 1.11 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 1x6c h LEU 37 CO 1.13 0.84 -0.76 -1.28 -1.08 0.00 0.00 178.44 177.30 1x6c h SER 38 N 0.96 0.16 -3.84 -0.43 0.87 -1.97 -3.39 113.55 105.91 1x6c h SER 38 Ca 0.22 -0.12 -0.68 0.00 -1.23 0.00 0.00 61.79 59.98 1x6c h SER 38 Cb 0.25 -0.05 -0.37 0.00 -0.44 0.00 0.00 62.40 61.79 1x6c h SER 38 CO -0.01 0.86 -0.56 -1.10 -0.53 0.00 0.00 176.83 175.49 1x6c s GLN 39 N -3.39 2.02 -0.20 2.24 -0.21 -0.80 -5.07 119.66 114.25 1x6c s GLN 39 Ca -0.02 -2.15 -0.29 0.00 0.02 0.00 0.00 55.36 52.92 1x6c s GLN 39 Cb 0.11 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.62 1x6c s GLN 39 CO 0.80 -1.07 1.30 -1.25 -2.12 0.00 0.00 175.29 172.94 1x6c s PRO 40 N 0.54 4.13 0.00 2.91 0.04 -1.21 -2.84 135.00 138.57 1x6c s PRO 40 Ca 0.12 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1x6c s PRO 40 Cb -0.22 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1x6c s PRO 40 CO -0.04 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1x6c n GLY 41 N 3.86 1.30 1.39 0.56 0.00 -1.26 -5.07 105.19 105.96 1x6c n GLY 41 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.03 0.61 -3.86 1.61 9.92 -1.13 -4.82 116.55 118.92 1x6c n ASP 42 Ca 0.00 -1.48 -0.09 0.00 -0.53 0.00 0.00 54.79 52.69 1x6c n ASP 42 Cb 0.00 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.23 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 -0.63 0.19 0.02 1.24 0.08 -1.22 -3.32 117.98 114.35 1x6c s PHE 43 Ca 0.23 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1x6c s PHE 43 Cb -0.02 0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.49 1x6c s PHE 43 CO 0.15 -0.74 -0.19 0.08 -0.10 0.00 0.00 175.22 174.42 1x6c s VAL 44 N -3.92 1.50 -0.35 -0.44 1.01 -0.49 0.18 120.40 117.89 1x6c s VAL 44 Ca 0.12 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1x6c s VAL 44 Cb 0.02 -1.29 0.10 0.00 0.00 0.00 0.00 36.38 35.22 1x6c s VAL 44 CO -0.03 0.25 0.06 -0.22 0.00 0.00 0.00 175.10 175.16 1x6c s LEU 45 N -0.90 4.79 -0.24 3.92 2.96 0.57 -2.35 118.68 127.43 1x6c s LEU 45 Ca 0.06 -2.16 -0.19 0.00 -0.22 0.00 0.00 54.13 51.62 1x6c s LEU 45 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1x6c s LEU 45 CO 0.01 -0.39 0.56 -0.55 -1.32 0.00 0.00 176.35 174.66 1x6c s SER 46 N 0.94 6.53 -0.07 3.68 0.15 -1.11 0.19 113.70 124.01 1x6c s SER 46 Ca 0.11 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.45 1x6c s SER 46 Cb -0.19 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1x6c s SER 46 CO -0.08 -0.29 -0.23 -0.69 1.20 0.00 0.00 173.24 173.14 1x6c s VAL 47 N 2.22 2.19 -0.12 4.45 1.01 0.26 -1.92 120.40 128.49 1x6c s VAL 47 Ca 0.24 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 1x6c s VAL 47 Cb -0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1x6c s VAL 47 CO 0.09 0.57 0.81 -0.22 0.00 0.00 0.00 175.10 176.35 1x6c s LEU 48 N -0.10 4.23 0.33 3.92 2.96 0.28 -1.84 118.68 128.47 1x6c s LEU 48 Ca -0.05 1.22 -0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1x6c s LEU 48 Cb -0.14 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1x6c s LEU 48 CO 0.04 -0.30 0.54 -0.94 -1.32 0.00 0.00 176.35 174.37 1x6c s SER 49 N 1.05 6.32 -0.17 3.68 1.04 -1.21 0.12 113.70 124.52 1x6c s SER 49 Ca 0.39 0.50 0.06 0.00 0.48 0.00 0.00 55.95 57.38 1x6c s SER 49 Cb -0.17 -2.05 0.45 0.00 0.10 0.00 0.00 66.02 64.34 1x6c s SER 49 CO 0.16 -0.27 1.32 -0.90 0.98 0.00 0.00 173.24 174.52 1x6c n ASP 50 N -1.60 3.65 -4.23 7.02 5.75 -1.26 -4.57 116.55 121.30 1x6c n ASP 50 Ca -0.04 -2.66 -0.37 0.00 -0.01 0.00 0.00 54.79 51.72 1x6c n ASP 50 Cb 0.56 -0.64 -0.13 0.00 -1.03 0.00 0.00 41.12 39.88 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 2.55 0.98 0.11 -0.21 -1.26 -5.07 119.66 114.77 1x6c s GLN 51 Ca 0.32 -1.21 -0.14 0.00 0.02 0.00 0.00 55.36 54.34 1x6c s GLN 51 Cb 0.25 -3.35 0.18 0.00 1.00 0.00 0.00 33.01 31.09 1x6c s GLN 51 CO 0.08 -0.65 1.17 -1.25 -2.12 0.00 0.00 175.29 172.53 1x6c s PRO 52 N 1.34 0.58 -0.19 2.91 0.04 -1.26 -2.09 135.00 136.33 1x6c s PRO 52 Ca -0.03 0.08 -0.10 0.00 0.04 0.00 0.00 61.00 60.99 1x6c s PRO 52 Cb -0.20 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.35 1x6c s PRO 52 CO 0.01 -2.54 0.10 1.63 0.04 0.00 0.00 177.00 176.25 1x6c n LYS 53 N -3.96 0.66 -0.02 4.56 5.02 -1.18 -4.64 118.16 118.60 1x6c n LYS 53 Ca 0.10 0.33 -0.01 0.00 -2.02 0.00 0.00 58.31 56.70 1x6c n LYS 53 Cb 0.59 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.35 1.98 0.00 7.82 0.00 -1.26 -5.11 120.51 120.58 1x6c n ALA 54 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x6c n ALA 54 Cb 0.91 0.02 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 2.49 0.30 3.63 0.00 0.00 -1.26 -4.97 105.19 105.38 1x6c n GLY 55 Ca -0.07 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 3.94 0.00 1.61 0.04 -1.26 -2.34 135.00 136.99 1x6c s PRO 56 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1x6c s PRO 56 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1x6c s PRO 56 CO 0.00 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1x6c n GLY 57 N 4.27 0.61 3.69 0.56 0.00 -1.26 -5.09 105.19 107.97 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 -2.09 4.95 0.34 1.61 1.04 -0.99 -5.07 113.70 113.49 1x6c s SER 58 Ca 0.00 -0.28 -0.27 0.00 0.48 0.00 0.00 55.95 55.88 1x6c s SER 58 Cb 0.00 -1.13 -0.09 0.00 0.10 0.00 0.00 66.02 64.90 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 -2.73 4.42 -0.06 4.02 0.04 -1.26 -4.72 135.00 134.70 1x6c s PRO 59 Ca 0.27 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1x6c s PRO 59 Cb -0.10 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 1x6c s PRO 59 CO 0.19 0.05 1.05 -0.51 0.04 0.00 0.00 177.00 177.83 1x6c s LEU 60 N -2.01 4.29 1.03 -3.56 1.43 -1.26 -3.12 118.68 115.48 1x6c s LEU 60 Ca 0.51 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 55.04 1x6c s LEU 60 Cb -0.27 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1x6c s LEU 60 CO 0.34 -0.44 -0.76 0.54 0.23 0.00 0.00 176.35 176.27 1x6c n ARG 61 N 4.75 -0.53 -4.27 1.70 1.74 -0.89 -4.75 116.66 114.42 1x6c n ARG 61 Ca 0.09 -0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 56.83 1x6c n ARG 61 Cb 0.49 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.14 -0.17 1.55 1.01 -1.26 -3.28 120.40 117.28 1x6c s VAL 62 Ca 0.45 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1x6c s VAL 62 Cb -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1x6c s VAL 62 CO 0.69 -0.10 -0.12 -0.89 0.00 0.00 0.00 175.10 174.68 1x6c s THR 63 N -1.05 1.56 -0.44 3.92 2.01 -0.76 -4.99 115.64 115.89 1x6c s THR 63 Ca 0.00 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.04 1x6c s THR 63 Cb -0.09 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1x6c s THR 63 CO 0.02 0.32 0.54 -1.00 -0.69 0.00 0.00 174.62 173.81 1x6c s HIS 64 N 1.46 3.11 -0.79 4.92 3.76 -1.26 -0.58 115.29 125.92 1x6c s HIS 64 Ca 0.02 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1x6c s HIS 64 Cb -0.14 -3.17 0.16 0.00 1.11 0.00 0.00 32.58 30.54 1x6c s HIS 64 CO -0.09 -0.82 0.84 0.42 -0.85 0.00 0.00 174.74 174.23 1x6c s ILE 65 N 2.47 5.17 0.68 0.60 1.09 0.50 -4.84 121.20 126.87 1x6c s ILE 65 Ca 0.17 -1.84 -0.17 0.00 -1.10 0.00 0.00 60.65 57.70 1x6c s ILE 65 Cb -0.16 -4.55 -0.01 0.00 -1.06 0.00 0.00 42.46 36.67 1x6c s ILE 65 CO 0.15 -1.17 0.96 0.29 -0.10 0.00 0.00 174.94 175.07 1x6c n LYS 66 N 5.27 0.65 -4.07 2.79 5.02 -1.26 -0.31 118.16 126.25 1x6c n LYS 66 Ca 0.10 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 1x6c n LYS 66 Cb 0.46 -2.20 -0.16 0.00 -0.02 0.00 0.00 35.03 33.11 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 -1.70 1.99 -0.59 -0.18 1.01 0.13 -4.47 120.40 116.59 1x6c s VAL 67 Ca 0.75 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 1x6c s VAL 67 Cb -0.37 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.07 1x6c s VAL 67 CO 0.49 0.21 0.94 -0.04 0.00 0.00 0.00 175.10 176.70 1x6c s MET 68 N 1.24 3.25 -0.83 2.72 -1.94 0.22 -3.41 119.30 120.56 1x6c s MET 68 Ca -0.02 -0.46 -0.21 0.00 -1.71 0.00 0.00 55.69 53.29 1x6c s MET 68 Cb -0.17 -4.11 0.10 0.00 2.01 0.00 0.00 34.83 32.66 1x6c s MET 68 CO -0.08 -1.59 1.09 0.00 -0.01 0.00 0.00 175.02 174.43 1x6c s GLU 70 N 3.45 1.32 -1.36 0.00 4.04 0.18 -4.78 118.70 121.55 1x6c s GLU 70 Ca 0.30 -0.60 -0.04 0.00 0.04 0.00 0.00 54.97 54.67 1x6c s GLU 70 Cb -0.09 -1.28 0.02 0.00 0.02 0.00 0.00 34.13 32.80 1x6c s GLU 70 CO -0.02 0.35 0.78 0.41 -1.84 0.00 0.00 175.26 174.95 1x6c n GLY 71 N 2.64 -0.35 2.24 -3.83 0.00 -1.26 -0.33 105.19 104.31 1x6c n GLY 71 Ca -0.15 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.61 0.50 3.15 -0.02 0.00 -1.26 -4.92 105.19 101.02 1x6c n GLY 72 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.04 0.77 -0.01 1.61 0.52 0.56 -4.68 118.95 113.67 1x6c s ARG 73 Ca 0.00 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1x6c s ARG 73 Cb 0.00 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.76 1x6c s ARG 73 CO 0.00 0.14 -0.01 0.71 0.02 0.00 0.00 175.30 176.16 1x6c s TYR 74 N -1.49 3.06 -0.07 -0.53 2.02 0.38 0.51 117.35 121.23 1x6c s TYR 74 Ca -0.02 0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 1x6c s TYR 74 Cb -0.09 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1x6c s TYR 74 CO 0.02 0.45 0.54 -0.08 -1.57 0.00 0.00 175.55 174.90 1x6c s THR 75 N -1.04 0.02 -2.18 -0.71 -1.32 -0.69 -1.57 115.64 108.14 1x6c s THR 75 Ca 0.18 -0.15 0.18 0.00 -1.21 0.00 0.00 61.69 60.69 1x6c s THR 75 Cb -0.11 -0.83 0.43 0.00 -1.51 0.00 0.00 72.50 70.47 1x6c s THR 75 CO 0.09 -0.08 1.43 1.33 -2.21 0.00 0.00 174.62 175.17 1x6c n VAL 76 N 1.40 0.46 0.00 5.08 0.24 -1.26 0.73 118.33 124.98 1x6c n VAL 76 Ca -0.19 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1x6c n VAL 76 Cb 0.56 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.25 0.91 3.99 7.63 0.00 -1.26 -4.90 105.19 112.80 1x6c n GLY 77 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.19 1.77 0.27 -0.02 0.00 -1.26 -5.00 107.32 102.89 1x6c s GLY 78 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 44.72 43.18 1x6c s GLY 78 CO 0.00 -1.13 1.60 -2.00 0.00 0.00 0.00 173.10 171.57 1x6c h LEU 79 N -0.41 0.00 -9.95 0.66 6.46 -2.01 -3.44 115.31 106.62 1x6c h LEU 79 Ca -0.37 0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 56.89 1x6c h LEU 79 Cb 1.27 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 41.24 1x6c h LEU 79 CO 0.43 0.62 0.46 -1.61 -0.62 0.00 0.00 178.44 177.72 1x6c s GLU 80 N -3.57 4.11 0.20 1.25 2.02 -1.26 -5.05 118.70 116.41 1x6c s GLU 80 Ca -0.01 1.68 0.03 0.00 0.02 0.00 0.00 54.97 56.69 1x6c s GLU 80 Cb 0.12 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 1x6c s GLU 80 CO 0.76 -0.23 0.09 0.25 0.02 0.00 0.00 175.26 176.15 1x6c n THR 81 N 0.02 0.00 -3.64 3.63 -2.24 -1.26 -4.66 114.28 106.13 1x6c n THR 81 Ca 0.05 -1.25 -0.09 0.00 -2.27 0.00 0.00 64.05 60.49 1x6c n THR 81 Cb 0.48 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.43 -0.35 -0.21 4.78 0.40 -0.61 -4.91 117.98 114.66 1x6c s PHE 82 Ca 0.13 0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1x6c s PHE 82 Cb 0.01 0.63 -0.20 0.00 0.51 0.00 0.00 43.02 43.96 1x6c s PHE 82 CO 0.09 -0.99 -0.00 -0.25 0.70 0.00 0.00 175.22 174.77 1x6c n ASP 83 N -0.41 2.03 -4.28 1.36 9.92 -1.26 -0.47 116.55 123.44 1x6c n ASP 83 Ca -0.10 0.04 -0.25 0.00 -0.53 0.00 0.00 54.79 53.95 1x6c n ASP 83 Cb 0.62 -0.62 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 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 -6.79 2.56 0.60 -2.24 1.04 -1.26 -4.77 113.70 102.84 1x6c s SER 84 Ca -0.30 -0.64 0.29 0.00 0.48 0.00 0.00 55.95 55.78 1x6c s SER 84 Cb 0.08 -0.16 1.64 0.00 0.10 0.00 0.00 66.02 67.68 1x6c s SER 84 CO 0.65 0.10 2.05 -0.07 0.98 0.00 0.00 173.24 176.95 1x6c h LEU 85 N 4.31 0.00 0.14 2.42 -0.00 -1.98 -0.62 115.31 119.58 1x6c h LEU 85 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.42 1x6c h LEU 85 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1x6c h LEU 85 CO 0.41 0.00 -0.07 0.74 -0.00 0.00 0.00 178.44 179.52 1x6c h THR 86 N 0.00 0.98 0.00 0.22 2.02 -1.97 1.38 112.91 115.54 1x6c h THR 86 Ca 0.11 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1x6c h THR 86 Cb 0.63 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1x6c h THR 86 CO -0.00 0.13 0.00 -0.67 0.37 0.00 0.00 175.52 175.35 1x6c n ASP 87 N -5.06 0.41 -0.10 4.18 -0.08 -0.30 0.27 116.55 115.88 1x6c n ASP 87 Ca -0.09 0.64 -0.16 0.00 -1.51 0.00 0.00 54.79 53.68 1x6c n ASP 87 Cb 0.19 -0.71 -0.07 0.00 2.34 0.00 0.00 41.12 42.88 1x6c n ASP 87 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1x6c n LEU 88 N -1.99 1.87 0.09 -2.67 0.00 -0.80 -3.45 117.00 110.04 1x6c n LEU 88 Ca 0.01 0.46 -0.13 0.00 0.00 0.00 0.00 56.01 56.36 1x6c n LEU 88 Cb 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 43.42 42.60 1x6c n LEU 88 CO 0.12 -0.01 0.83 0.58 0.00 0.00 0.00 177.39 178.92 1x6c h VAL 89 N -1.00 0.91 0.00 1.96 2.07 0.21 0.19 116.25 120.59 1x6c h VAL 89 Ca -0.24 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1x6c h VAL 89 Cb 1.05 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1x6c h VAL 89 CO -0.15 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 177.12 1x6c h GLU 90 N -0.14 0.00 0.00 1.57 5.08 -0.37 1.08 114.58 121.80 1x6c h GLU 90 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1x6c h GLU 90 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1x6c h GLU 90 CO 0.02 0.00 -0.20 1.25 -1.00 0.00 0.00 179.01 179.08 1x6c h HIS 91 N 0.00 0.00 0.00 4.33 2.76 -1.15 -3.32 115.15 117.77 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 0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1x6c h HIS 91 CO 0.00 0.57 0.00 1.19 -1.30 0.00 0.00 177.93 178.39 1x6c n PHE 92 N -4.65 0.00 0.29 5.26 3.72 0.52 -2.86 117.46 119.73 1x6c n PHE 92 Ca -0.08 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.46 1x6c n PHE 92 Cb 0.30 -0.36 0.72 0.00 -0.94 0.00 0.00 39.48 39.19 1x6c n PHE 92 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1x6c h LYS 93 N 0.00 0.00 0.00 -1.08 1.57 0.11 0.20 116.57 117.37 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1x6c h LYS 93 CO 0.00 0.00 -0.21 0.36 -0.57 0.00 0.00 179.45 179.03 1x6c n LYS 94 N -2.58 0.11 0.18 3.15 2.85 -1.13 -4.37 118.16 116.36 1x6c n LYS 94 Ca -0.00 0.04 0.19 0.00 -1.05 0.00 0.00 58.31 57.49 1x6c n LYS 94 Cb 0.15 -0.60 0.77 0.00 -0.65 0.00 0.00 35.03 34.70 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 -0.21 0.26 -1.03 0.58 1.35 -1.63 -3.47 112.91 108.76 1x6c h THR 95 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1x6c h THR 95 Cb 0.21 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1x6c h THR 95 CO 0.00 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.85 1x6c n GLY 96 N -1.40 -1.59 3.25 5.82 0.00 0.72 -4.94 105.19 107.05 1x6c n GLY 96 Ca 0.04 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.16 1.35 -0.12 -0.61 1.01 0.26 -4.81 121.20 118.11 1x6c s ILE 97 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 60.65 58.88 1x6c s ILE 97 Cb 0.00 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1x6c s ILE 97 CO 0.00 -0.46 -0.17 -0.70 0.00 0.00 0.00 174.94 173.61 1x6c s GLU 98 N -2.84 3.25 0.37 2.79 2.12 -1.26 0.19 118.70 123.33 1x6c s GLU 98 Ca 0.11 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.62 1x6c s GLU 98 Cb -0.04 -2.50 0.08 0.00 0.26 0.00 0.00 34.13 31.93 1x6c s GLU 98 CO 0.03 0.20 0.51 0.39 -0.54 0.00 0.00 175.26 175.85 1x6c n GLU 99 N 3.53 -0.39 -0.01 4.30 1.02 0.21 -4.95 120.64 124.36 1x6c n GLU 99 Ca -0.18 -0.86 0.01 0.00 -0.02 0.00 0.00 57.16 56.10 1x6c n GLU 99 Cb 0.53 -0.50 -0.12 0.00 -0.02 0.00 0.00 31.44 31.33 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 -3.28 2.08 0.68 0.62 0.00 -1.26 -3.87 120.51 115.48 1x6c n ALA 100 Ca -0.08 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.73 1x6c n ALA 100 Cb 0.23 -0.73 0.38 0.00 0.00 0.00 0.00 19.45 19.33 1x6c n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x6c n SER 101 N -2.69 0.00 0.00 0.00 3.41 -1.26 -4.80 113.62 108.28 1x6c n SER 101 Ca -0.13 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1x6c n SER 101 Cb 0.83 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 102 N 0.09 0.47 3.89 5.00 0.00 -1.25 -5.07 105.19 108.32 1x6c n GLY 102 Ca 0.06 0.00 -0.30 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 -2.16 3.55 0.20 4.61 0.00 -1.26 -4.87 121.76 121.83 1x6c s ALA 103 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1x6c s ALA 103 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1x6c s ALA 103 CO 0.00 0.31 0.14 -0.06 0.00 0.00 0.00 175.76 176.15 1x6c s PHE 104 N -2.02 3.10 0.11 0.00 0.40 -1.26 0.65 117.98 118.95 1x6c s PHE 104 Ca 0.47 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.78 1x6c s PHE 104 Cb -0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1x6c s PHE 104 CO 0.26 0.52 -0.13 0.08 0.70 0.00 0.00 175.22 176.66 1x6c s VAL 105 N -1.89 1.19 0.00 -0.44 1.01 0.51 -4.88 120.40 115.90 1x6c s VAL 105 Ca 0.31 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1x6c s VAL 105 Cb -0.09 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1x6c s VAL 105 CO 0.23 -0.45 -0.02 -0.31 0.00 0.00 0.00 175.10 174.56 1x6c s TYR 106 N -2.16 0.16 -1.20 5.22 2.02 -1.26 0.91 117.35 121.04 1x6c s TYR 106 Ca 0.07 -0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1x6c s TYR 106 Cb -0.05 -0.10 0.19 0.00 -0.40 0.00 0.00 41.96 41.60 1x6c s TYR 106 CO 0.02 -0.03 1.39 1.28 -1.57 0.00 0.00 175.55 176.64 1x6c n LEU 107 N 2.83 5.32 0.38 -1.29 4.32 -1.26 -4.42 117.00 122.88 1x6c n LEU 107 Ca -0.14 -4.58 -0.18 0.00 -0.02 0.00 0.00 56.01 51.09 1x6c n LEU 107 Cb 0.59 -1.59 -0.09 0.00 -1.62 0.00 0.00 43.42 40.71 1x6c n LEU 107 CO 0.25 0.87 0.59 0.03 -1.22 0.00 0.00 177.39 177.91 1x6c h ARG 108 N 6.99 -0.93 -3.64 3.23 3.08 -1.52 -3.45 114.38 118.14 1x6c h ARG 108 Ca 0.29 0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.23 1x6c h ARG 108 Cb 0.86 0.21 -0.24 0.00 0.08 0.00 0.00 29.97 30.89 1x6c h ARG 108 CO 1.21 -0.60 -0.61 1.14 -1.07 0.00 0.00 179.97 180.05 1x6c s GLN 109 N -5.77 0.26 0.92 0.04 -2.07 -0.97 -5.06 119.66 107.00 1x6c s GLN 109 Ca -0.17 -0.21 -0.12 0.00 -1.82 0.00 0.00 55.36 53.03 1x6c s GLN 109 Cb 0.03 0.10 0.14 0.00 -1.09 0.00 0.00 33.01 32.19 1x6c s GLN 109 CO 0.59 -0.05 1.14 -1.25 -1.32 0.00 0.00 175.29 174.40 1x6c s PRO 110 N -0.73 1.09 -0.29 9.60 0.04 -1.26 -2.53 135.00 140.91 1x6c s PRO 110 Ca -0.08 0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 1x6c s PRO 110 Cb -0.05 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1x6c s PRO 110 CO 0.00 -2.23 0.31 -0.47 0.04 0.00 0.00 177.00 174.65 1x6c s TYR 111 N -3.29 3.23 -0.05 0.56 5.04 0.57 -4.76 117.35 118.65 1x6c s TYR 111 Ca 0.64 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 1x6c s TYR 111 Cb -0.14 -2.52 -0.28 0.00 0.35 0.00 0.00 41.96 39.36 1x6c s TYR 111 CO 0.53 -0.25 0.63 1.88 -1.34 0.00 0.00 175.55 177.00 1x6c h TYR 112 N 8.30 0.53 -3.31 4.97 -1.99 -1.91 -3.42 116.97 120.14 1x6c h TYR 112 Ca -0.32 -0.38 0.35 0.00 2.00 0.00 0.00 58.73 60.37 1x6c h TYR 112 Cb 1.17 -0.02 -0.15 0.00 2.00 0.00 0.00 36.73 39.73 1x6c h TYR 112 CO 0.74 1.58 -0.95 -1.13 -0.00 0.00 0.00 178.16 178.40 1x6c n SER 113 N -3.48 -8.08 -4.01 3.88 3.41 -1.26 -5.01 113.62 99.08 1x6c n SER 113 Ca -0.24 1.08 -0.26 0.00 -0.26 0.00 0.00 58.87 59.19 1x6c n SER 113 Cb 1.06 -4.63 -0.07 0.00 -0.26 0.00 0.00 64.21 60.31 1x6c n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 114 N -4.22 3.38 0.13 5.00 0.00 -1.26 -5.10 105.19 103.13 1x6c n GLY 114 Ca -0.05 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.26 -6.97 1.61 0.13 -2.08 -3.45 132.00 120.98 1x6c h PRO 115 Ca -0.33 0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.36 1x6c h PRO 115 Cb 1.17 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1x6c h PRO 115 CO 0.54 -0.17 0.27 -1.12 -0.23 0.00 0.00 178.00 177.29 1x6c s SER 116 N -4.62 6.87 0.02 1.44 0.01 -1.26 -5.00 113.70 111.16 1x6c s SER 116 Ca -0.04 1.56 -0.05 0.00 1.31 0.00 0.00 55.95 58.73 1x6c s SER 116 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1x6c s SER 116 CO 0.12 -0.33 -0.10 -0.24 0.41 0.00 0.00 173.24 173.10 1x6c n SER 117 N -0.61 1.34 0.00 2.44 2.88 -1.26 -5.18 113.62 113.23 1x6c n SER 117 Ca 0.06 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1x6c n SER 117 Cb 0.54 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42