#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 3.49 -0.16 1.61 0.01 -1.26 -5.00 113.70 112.40 1x6c s SER 2 Ca 0.00 -0.61 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 1x6c s SER 2 Cb 0.00 -1.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1x6c s SER 2 CO 0.00 -0.01 -0.31 -1.20 0.41 0.00 0.00 173.24 172.13 1x6c n SER 3 N 4.66 1.71 0.00 2.44 7.64 -1.26 -5.13 113.62 123.68 1x6c n SER 3 Ca -0.20 0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1x6c n SER 3 Cb 0.50 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x6c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 4 N 1.47 -0.64 3.11 0.23 0.00 -1.26 -5.10 105.19 103.00 1x6c n GLY 4 Ca -0.12 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.00 -1.27 0.49 1.61 0.01 -1.26 -5.16 113.70 104.11 1x6c s SER 5 Ca 0.00 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.65 1x6c s SER 5 Cb 0.00 1.63 0.08 0.00 0.21 0.00 0.00 66.02 67.93 1x6c s SER 5 CO 0.00 -0.14 0.56 -1.54 0.41 0.00 0.00 173.24 172.52 1x6c n SER 6 N 4.27 1.04 0.00 2.44 3.41 -1.26 -5.05 113.62 118.46 1x6c n SER 6 Ca 0.10 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1x6c n SER 6 Cb 0.58 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.48 0.00 0.21 5.00 0.00 -1.26 -4.99 105.19 104.63 1x6c n GLY 7 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.09 1.61 -0.00 -1.26 -4.86 117.44 110.84 1x6c n TRP 8 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1x6c n TRP 8 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1x6c n TRP 8 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 1x6c s TYR 9 N -1.13 1.73 0.26 -2.67 5.04 -1.25 -2.84 117.35 116.49 1x6c s TYR 9 Ca 0.07 0.70 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 1x6c s TYR 9 Cb 0.07 -4.15 0.33 0.00 0.35 0.00 0.00 41.96 38.56 1x6c s TYR 9 CO 0.19 -2.29 1.64 0.45 -1.34 0.00 0.00 175.55 174.20 1x6c h HIS 10 N 14.40 0.45 0.00 4.97 3.86 -1.09 -3.49 115.15 134.24 1x6c h HIS 10 Ca -0.26 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1x6c h HIS 10 Cb 1.15 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1x6c h HIS 10 CO 1.05 0.74 0.00 0.41 0.86 0.00 0.00 177.93 180.99 1x6c n GLY 11 N -0.07 0.65 3.38 2.45 0.00 -1.26 -4.78 105.19 105.56 1x6c n GLY 11 Ca -0.02 -1.17 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 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 3.84 -0.08 1.61 3.76 -1.26 0.20 115.29 123.36 1x6c s HIS 12 Ca 0.00 -2.24 -0.02 0.00 -0.15 0.00 0.00 55.06 52.66 1x6c s HIS 12 Cb 0.00 -3.99 -0.03 0.00 1.11 0.00 0.00 32.58 29.67 1x6c s HIS 12 CO 0.00 -1.12 0.00 1.41 -0.85 0.00 0.00 174.74 174.18 1x6c s MET 13 N 0.19 2.97 -0.02 1.40 0.00 -1.25 -4.98 119.30 117.61 1x6c s MET 13 Ca 0.30 -0.42 -0.30 0.00 0.00 0.00 0.00 55.69 55.27 1x6c s MET 13 Cb -0.08 -2.78 -0.03 0.00 0.00 0.00 0.00 34.83 31.94 1x6c s MET 13 CO -0.07 0.70 1.01 0.45 0.00 0.00 0.00 175.02 177.11 1x6c s SER 14 N -0.92 7.32 0.12 1.11 0.15 -1.26 -4.50 113.70 115.72 1x6c s SER 14 Ca 0.14 1.67 -0.24 0.00 0.70 0.00 0.00 55.95 58.22 1x6c s SER 14 Cb -0.11 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.57 1x6c s SER 14 CO 0.03 -0.32 1.42 1.23 1.20 0.00 0.00 173.24 176.79 1x6c h GLY 15 N 7.05 -1.28 -0.58 9.45 0.00 -1.98 1.09 103.07 116.82 1x6c h GLY 15 Ca -0.39 0.88 0.35 0.00 0.00 0.00 0.00 47.33 48.17 1x6c h GLY 15 CO 0.78 -0.21 0.79 -1.33 0.00 0.00 0.00 176.54 176.57 1x6c h GLY 16 N -0.01 1.01 0.44 4.60 0.00 -2.00 -0.94 103.07 106.17 1x6c h GLY 16 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1x6c h GLY 16 CO -0.71 -0.20 -0.21 -1.61 0.00 0.00 0.00 176.54 173.80 1x6c h GLN 17 N 0.21 -0.57 -0.93 4.80 4.15 0.78 -2.64 115.11 120.91 1x6c h GLN 17 Ca 0.68 0.04 0.13 0.00 0.77 0.00 0.00 58.65 60.27 1x6c h GLN 17 Cb 2.08 0.13 -0.14 0.00 0.21 0.00 0.00 27.48 29.76 1x6c h GLN 17 CO -0.28 -0.38 -0.40 0.00 -1.93 0.00 0.00 178.83 175.84 1x6c n ALA 18 N -2.44 -0.21 -0.23 3.38 0.00 -0.40 0.17 120.51 120.78 1x6c n ALA 18 Ca -0.07 0.90 0.03 0.00 0.00 0.00 0.00 53.44 54.29 1x6c n ALA 18 Cb 0.23 -0.36 0.12 0.00 0.00 0.00 0.00 19.45 19.45 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 0.09 -0.33 0.00 5.08 -1.38 1.22 114.58 119.26 1x6c h GLU 19 Ca 0.29 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.47 1x6c h GLU 19 Cb 0.52 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x6c h GLU 19 CO -0.91 0.06 -0.48 1.15 -1.00 0.00 0.00 179.01 177.83 1x6c h THR 20 N 0.09 1.27 0.96 1.13 2.02 0.19 -1.79 112.91 116.79 1x6c h THR 20 Ca 0.37 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1x6c h THR 20 Cb 0.62 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1x6c h THR 20 CO -0.62 0.55 -0.46 -0.07 0.37 0.00 0.00 175.52 175.28 1x6c h LEU 21 N 0.70 -1.09 -0.98 2.58 4.07 0.44 1.38 115.31 122.41 1x6c h LEU 21 Ca 0.03 0.04 0.19 0.00 0.08 0.00 0.00 57.88 58.22 1x6c h LEU 21 Cb 1.08 0.28 -0.11 0.00 1.08 0.00 0.00 40.66 43.00 1x6c h LEU 21 CO 0.11 -0.77 0.58 -0.07 -1.08 0.00 0.00 178.44 177.21 1x6c h LEU 22 N -1.31 0.73 -0.01 1.67 3.38 0.13 -0.42 115.31 119.49 1x6c h LEU 22 Ca -0.13 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x6c h LEU 22 Cb 0.99 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1x6c h LEU 22 CO 0.22 0.26 -0.01 1.56 0.09 0.00 0.00 178.44 180.56 1x6c h GLN 23 N 0.73 0.03 -1.27 1.13 4.20 -0.89 -0.73 115.11 118.30 1x6c h GLN 23 Ca 0.56 -0.01 0.39 0.00 0.06 0.00 0.00 58.65 59.65 1x6c h GLN 23 Cb 0.88 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.54 1x6c h GLN 23 CO -0.39 0.43 0.83 0.00 -0.67 0.00 0.00 178.83 179.04 1x6c h ALA 24 N 0.59 2.69 0.03 3.87 0.00 0.35 -0.79 119.26 126.00 1x6c h ALA 24 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1x6c h ALA 24 Cb 0.42 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x6c h ALA 24 CO 0.00 -1.24 -0.01 -0.22 0.00 0.00 0.00 179.25 177.78 1x6c h LYS 25 N 0.16 -0.03 0.00 0.00 1.63 -1.12 -3.48 116.57 113.72 1x6c h LYS 25 Ca 0.75 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.55 1x6c h LYS 25 Cb 2.33 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.97 1x6c h LYS 25 CO -0.33 -0.02 0.00 0.41 -3.45 0.00 0.00 179.45 176.06 1x6c n GLY 26 N 1.73 2.82 3.19 5.01 0.00 -0.30 -5.02 105.19 112.62 1x6c n GLY 26 Ca -0.00 -0.27 -0.58 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.50 1.61 1.02 -1.26 -4.84 120.64 114.67 1x6c n GLU 27 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1x6c n GLU 27 Cb 0.00 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 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 3.88 4.64 -0.43 3.49 0.04 -1.26 -3.62 135.00 141.74 1x6c s PRO 28 Ca 1.01 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.81 1x6c s PRO 28 Cb -1.35 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 29.97 1x6c s PRO 28 CO 0.68 0.20 0.36 0.91 0.04 0.00 0.00 177.00 179.18 1x6c n TRP 29 N 1.52 -0.78 -4.07 0.56 5.03 0.13 -4.82 117.44 115.00 1x6c n TRP 29 Ca -0.00 0.34 -0.33 0.00 3.03 0.00 0.00 57.50 60.53 1x6c n TRP 29 Cb 0.45 -3.11 -0.16 0.00 -1.03 0.00 0.00 31.31 27.47 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 -3.13 2.34 0.42 -0.99 2.01 -1.13 -1.55 115.64 113.61 1x6c s THR 30 Ca 0.00 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1x6c s THR 30 Cb -0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1x6c s THR 30 CO 0.26 0.48 0.39 0.72 -0.69 0.00 0.00 174.62 175.78 1x6c s PHE 31 N 1.32 2.65 -0.28 4.92 -0.71 -0.56 0.81 117.98 126.11 1x6c s PHE 31 Ca 0.04 -0.51 -0.22 0.00 -1.04 0.00 0.00 56.93 55.20 1x6c s PHE 31 Cb -0.14 -2.17 0.12 0.00 -1.21 0.00 0.00 43.02 39.63 1x6c s PHE 31 CO -0.10 -0.16 0.97 -0.48 -1.34 0.00 0.00 175.22 174.11 1x6c s LEU 32 N -4.15 -0.52 -0.22 -1.99 0.05 -0.79 0.28 118.68 111.34 1x6c s LEU 32 Ca 0.48 0.94 -0.14 0.00 0.05 0.00 0.00 54.13 55.47 1x6c s LEU 32 Cb -0.03 1.93 -0.04 0.00 -2.05 0.00 0.00 46.19 45.99 1x6c s LEU 32 CO 0.28 -0.16 0.31 -0.69 -0.55 0.00 0.00 176.35 175.54 1x6c s VAL 33 N 0.62 5.25 -0.07 1.48 1.01 -1.13 -2.61 120.40 124.96 1x6c s VAL 33 Ca -0.01 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1x6c s VAL 33 Cb -0.05 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1x6c s VAL 33 CO -0.09 0.27 0.23 0.00 0.00 0.00 0.00 175.10 175.52 1x6c s ARG 34 N 1.30 0.34 0.55 2.72 1.70 -0.60 -0.41 118.95 124.55 1x6c s ARG 34 Ca 0.15 0.19 -0.19 0.00 -0.47 0.00 0.00 55.73 55.40 1x6c s ARG 34 Cb -0.14 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.34 1x6c s ARG 34 CO 0.07 -0.06 1.13 -2.00 -1.08 0.00 0.00 175.30 173.36 1x6c s GLU 35 N -0.20 3.33 -0.03 3.89 -6.30 0.53 0.15 118.70 120.07 1x6c s GLU 35 Ca -0.03 1.59 -0.26 0.00 -2.50 0.00 0.00 54.97 53.77 1x6c s GLU 35 Cb -0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 34.13 32.06 1x6c s GLU 35 CO 0.01 -0.86 0.82 0.45 0.02 0.00 0.00 175.26 175.69 1x6c s SER 36 N -1.83 7.17 0.10 -1.70 0.15 -1.02 -3.86 113.70 112.71 1x6c s SER 36 Ca 0.72 1.41 -0.05 0.00 0.70 0.00 0.00 55.95 58.73 1x6c s SER 36 Cb -0.23 -2.48 -0.18 0.00 -1.71 0.00 0.00 66.02 61.41 1x6c s SER 36 CO 0.28 -0.16 1.23 0.25 1.20 0.00 0.00 173.24 176.03 1x6c h LEU 37 N 6.67 0.52 -0.05 3.45 5.85 -1.92 -3.25 115.31 126.59 1x6c h LEU 37 Ca -0.41 -0.47 -0.24 0.00 0.84 0.00 0.00 57.88 57.60 1x6c h LEU 37 Cb 1.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1x6c h LEU 37 CO 0.75 1.31 -1.06 0.28 -0.34 0.00 0.00 178.44 179.37 1x6c h SER 38 N 0.18 0.32 -3.64 1.25 0.02 -1.96 -3.40 113.55 106.31 1x6c h SER 38 Ca -0.11 -0.30 -0.70 0.00 -0.84 0.00 0.00 61.79 59.84 1x6c h SER 38 Cb 1.75 -0.10 -0.34 0.00 0.14 0.00 0.00 62.40 63.85 1x6c h SER 38 CO 0.19 1.18 -0.48 -1.10 -1.14 0.00 0.00 176.83 175.47 1x6c s GLN 39 N -2.89 2.20 -0.33 3.45 1.11 -1.23 -5.06 119.66 116.92 1x6c s GLN 39 Ca -0.03 -2.01 -0.29 0.00 0.01 0.00 0.00 55.36 53.04 1x6c s GLN 39 Cb 0.09 -3.66 0.00 0.00 -1.01 0.00 0.00 33.01 28.43 1x6c s GLN 39 CO 0.85 -1.11 1.37 -1.25 0.01 0.00 0.00 175.29 175.16 1x6c s PRO 40 N 0.84 3.78 0.00 2.91 0.04 -1.25 -2.65 135.00 138.66 1x6c s PRO 40 Ca 0.10 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1x6c s PRO 40 Cb -0.22 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1x6c s PRO 40 CO -0.04 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1x6c n GLY 41 N 4.62 1.06 4.00 0.56 0.00 -1.26 -5.09 105.19 109.07 1x6c n GLY 41 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1x6c n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6c s ASP 42 N -1.34 4.73 0.10 1.61 1.01 -1.09 -4.80 116.67 116.90 1x6c s ASP 42 Ca 0.00 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.80 1x6c s ASP 42 Cb 0.00 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 1x6c s ASP 42 CO 0.00 -1.58 -0.06 -0.36 0.21 0.00 0.00 175.17 173.39 1x6c s PHE 43 N -2.92 0.91 0.08 4.23 0.40 -1.10 -2.42 117.98 117.15 1x6c s PHE 43 Ca 0.63 -0.94 0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1x6c s PHE 43 Cb -0.06 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.91 1x6c s PHE 43 CO 0.42 -0.17 -0.23 0.08 0.70 0.00 0.00 175.22 176.01 1x6c s VAL 44 N -3.65 1.89 -0.43 -0.44 1.01 0.40 -0.43 120.40 118.76 1x6c s VAL 44 Ca 0.13 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1x6c s VAL 44 Cb 0.05 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.89 1x6c s VAL 44 CO -0.04 0.14 0.18 -0.22 0.00 0.00 0.00 175.10 175.15 1x6c s LEU 45 N -1.58 3.81 -0.26 3.92 2.96 -0.62 -1.56 118.68 125.34 1x6c s LEU 45 Ca 0.09 -2.52 -0.22 0.00 -0.22 0.00 0.00 54.13 51.27 1x6c s LEU 45 Cb -0.10 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1x6c s LEU 45 CO 0.03 -0.30 0.69 -0.44 -1.32 0.00 0.00 176.35 175.01 1x6c s SER 46 N 0.42 6.63 -0.07 3.68 0.01 -1.07 0.19 113.70 123.49 1x6c s SER 46 Ca 0.15 0.74 0.05 0.00 1.31 0.00 0.00 55.95 58.20 1x6c s SER 46 Cb -0.23 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1x6c s SER 46 CO -0.05 -0.44 -0.24 -0.69 0.41 0.00 0.00 173.24 172.23 1x6c s VAL 47 N 2.64 1.99 -0.12 3.43 1.01 0.44 -1.89 120.40 127.90 1x6c s VAL 47 Ca 0.29 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1x6c s VAL 47 Cb -0.15 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1x6c s VAL 47 CO 0.09 0.55 0.82 -0.22 0.00 0.00 0.00 175.10 176.34 1x6c s LEU 48 N 0.00 4.24 0.41 3.92 2.96 0.24 -0.01 118.68 130.44 1x6c s LEU 48 Ca -0.08 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1x6c s LEU 48 Cb -0.15 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1x6c s LEU 48 CO 0.05 -0.31 0.68 -0.94 -1.32 0.00 0.00 176.35 174.51 1x6c s SER 49 N 1.05 6.31 -0.20 3.68 1.04 -1.06 0.20 113.70 124.71 1x6c s SER 49 Ca 0.40 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.63 1x6c s SER 49 Cb -0.17 -2.17 0.41 0.00 0.10 0.00 0.00 66.02 64.18 1x6c s SER 49 CO 0.16 -0.43 1.38 -0.90 0.98 0.00 0.00 173.24 174.42 1x6c n ASP 50 N -1.90 3.51 -4.13 7.02 5.75 -1.26 -4.53 116.55 121.01 1x6c n ASP 50 Ca -0.01 -2.73 -0.33 0.00 -0.01 0.00 0.00 54.79 51.70 1x6c n ASP 50 Cb 0.55 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.89 2.55 0.98 0.11 -0.21 -1.26 -5.08 119.66 114.87 1x6c s GLN 51 Ca 0.31 -1.15 -0.15 0.00 0.02 0.00 0.00 55.36 54.40 1x6c s GLN 51 Cb 0.25 -2.89 0.18 0.00 1.00 0.00 0.00 33.01 31.55 1x6c s GLN 51 CO 0.07 -0.47 1.17 -1.25 -2.12 0.00 0.00 175.29 172.70 1x6c s PRO 52 N 1.21 0.53 -0.18 2.91 0.04 -1.26 -2.00 135.00 136.25 1x6c s PRO 52 Ca -0.04 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.94 1x6c s PRO 52 Cb -0.18 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.36 1x6c s PRO 52 CO -0.06 -2.56 0.20 1.63 0.04 0.00 0.00 177.00 176.25 1x6c n LYS 53 N -3.98 0.66 -0.02 4.56 5.02 -1.18 -4.63 118.16 118.59 1x6c n LYS 53 Ca 0.10 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1x6c n LYS 53 Cb 0.59 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.30 1.97 0.00 7.82 0.00 -1.26 -5.11 120.51 120.63 1x6c n ALA 54 Ca -0.35 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1x6c n ALA 54 Cb 0.88 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 2.57 0.38 3.65 0.00 0.00 -1.26 -4.99 105.19 105.54 1x6c n GLY 55 Ca -0.06 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 4.16 0.00 1.61 0.04 -1.26 -2.43 135.00 137.13 1x6c s PRO 56 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1x6c s PRO 56 Cb 0.00 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1x6c s PRO 56 CO 0.00 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1x6c n GLY 57 N 3.77 0.55 3.67 0.56 0.00 -1.26 -5.08 105.19 107.39 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 -2.46 4.83 0.30 1.61 1.04 -1.02 -5.07 113.70 112.94 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 0.11 1.07 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.81 4.55 -0.07 4.02 0.04 -1.26 -4.73 135.00 134.73 1x6c s PRO 59 Ca 0.27 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1x6c s PRO 59 Cb -0.10 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1x6c s PRO 59 CO 0.19 0.16 1.10 -0.51 0.04 0.00 0.00 177.00 177.97 1x6c s LEU 60 N -1.71 4.27 0.99 -3.56 1.43 -1.26 -3.12 118.68 115.71 1x6c s LEU 60 Ca 0.47 1.69 -0.16 0.00 -1.03 0.00 0.00 54.13 55.10 1x6c s LEU 60 Cb -0.29 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 1x6c s LEU 60 CO 0.37 -0.50 -0.44 0.54 0.23 0.00 0.00 176.35 176.56 1x6c n ARG 61 N 4.98 -0.11 -4.38 1.70 1.74 -0.85 -4.70 116.66 115.04 1x6c n ARG 61 Ca 0.10 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 1x6c n ARG 61 Cb 0.48 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.13 2.22 -0.19 1.55 1.01 -1.26 -2.58 120.40 119.02 1x6c s VAL 62 Ca 0.45 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1x6c s VAL 62 Cb -0.18 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1x6c s VAL 62 CO 0.77 0.05 -0.07 -0.89 0.00 0.00 0.00 175.10 174.96 1x6c s THR 63 N -1.16 1.33 -0.40 3.92 2.01 0.99 -4.94 115.64 117.39 1x6c s THR 63 Ca 0.14 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 1x6c s THR 63 Cb -0.10 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1x6c s THR 63 CO 0.06 0.09 0.31 -1.00 -0.69 0.00 0.00 174.62 173.40 1x6c s HIS 64 N 1.53 3.23 -0.75 4.92 3.76 -1.26 0.17 115.29 126.89 1x6c s HIS 64 Ca -0.01 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.29 1x6c s HIS 64 Cb -0.16 -2.62 0.19 0.00 1.11 0.00 0.00 32.58 31.10 1x6c s HIS 64 CO -0.08 -0.56 0.71 0.42 -0.85 0.00 0.00 174.74 174.38 1x6c s ILE 65 N 1.77 5.45 0.54 0.60 1.09 0.50 -4.83 121.20 126.32 1x6c s ILE 65 Ca 0.07 -2.13 -0.20 0.00 -1.10 0.00 0.00 60.65 57.29 1x6c s ILE 65 Cb -0.18 -4.45 -0.07 0.00 -1.06 0.00 0.00 42.46 36.70 1x6c s ILE 65 CO 0.11 -1.01 0.90 0.29 -0.10 0.00 0.00 174.94 175.13 1x6c n LYS 66 N 4.49 0.96 -3.90 2.79 5.02 -1.26 -1.59 118.16 124.67 1x6c n LYS 66 Ca 0.06 0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 56.41 1x6c n LYS 66 Cb 0.45 -2.05 -0.16 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.48 1.31 -0.20 -0.18 1.01 0.43 -4.23 120.40 117.06 1x6c s VAL 67 Ca 0.71 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1x6c s VAL 67 Cb -0.46 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1x6c s VAL 67 CO 0.51 -0.08 0.65 -0.04 0.00 0.00 0.00 175.10 176.15 1x6c s MET 68 N 1.51 4.22 -0.63 2.72 -1.94 0.26 -2.72 119.30 122.71 1x6c s MET 68 Ca -0.04 0.66 -0.13 0.00 -1.71 0.00 0.00 55.69 54.48 1x6c s MET 68 Cb -0.18 -3.58 0.16 0.00 2.01 0.00 0.00 34.83 33.24 1x6c s MET 68 CO -0.07 -0.26 0.55 0.00 -0.01 0.00 0.00 175.02 175.24 1x6c s GLU 70 N 0.94 2.41 -1.98 0.00 2.02 0.11 -4.64 118.70 117.55 1x6c s GLU 70 Ca 0.10 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1x6c s GLU 70 Cb -0.22 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1x6c s GLU 70 CO -0.02 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1x6c n GLY 71 N 3.23 1.01 2.26 -1.39 0.00 -1.26 -0.40 105.19 108.64 1x6c n GLY 71 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.70 2.29 3.91 -0.02 0.00 -1.26 -5.01 105.19 104.40 1x6c n GLY 72 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.28 3.60 0.04 1.61 0.52 0.47 -4.74 118.95 120.17 1x6c s ARG 73 Ca 0.00 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.23 1x6c s ARG 73 Cb 0.00 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1x6c s ARG 73 CO 0.00 0.18 -0.19 0.71 0.02 0.00 0.00 175.30 176.03 1x6c s TYR 74 N -2.16 2.54 0.01 -0.53 2.02 0.92 0.05 117.35 120.20 1x6c s TYR 74 Ca 0.43 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.65 1x6c s TYR 74 Cb -0.10 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.04 1x6c s TYR 74 CO 0.32 0.25 0.49 -0.08 -1.57 0.00 0.00 175.55 174.95 1x6c s THR 75 N -0.92 0.03 -2.23 -0.71 -1.32 -0.22 -0.73 115.64 109.55 1x6c s THR 75 Ca 0.14 -0.28 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 1x6c s THR 75 Cb -0.10 -0.89 0.47 0.00 -1.51 0.00 0.00 72.50 70.47 1x6c s THR 75 CO 0.05 -0.15 1.44 1.33 -2.21 0.00 0.00 174.62 175.08 1x6c n VAL 76 N 0.76 0.57 0.00 5.08 0.24 -1.26 0.90 118.33 124.62 1x6c n VAL 76 Ca -0.19 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1x6c n VAL 76 Cb 0.58 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 1.40 1.65 3.67 7.63 0.00 -1.26 -4.79 105.19 113.48 1x6c n GLY 77 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 2.72 0.19 -0.02 0.00 -1.26 -5.04 107.32 101.91 1x6c s GLY 78 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 44.72 43.25 1x6c s GLY 78 CO 0.00 -2.11 1.76 1.41 0.00 0.00 0.00 173.10 174.16 1x6c h LEU 79 N 1.61 0.91 -9.64 0.66 3.38 -2.00 -3.43 115.31 106.79 1x6c h LEU 79 Ca -0.43 -0.16 -0.56 0.00 0.09 0.00 0.00 57.88 56.82 1x6c h LEU 79 Cb 1.28 -0.23 0.07 0.00 0.09 0.00 0.00 40.66 41.87 1x6c h LEU 79 CO 0.76 0.81 0.80 -0.62 0.09 0.00 0.00 178.44 180.28 1x6c n GLU 80 N -4.42 2.38 -4.56 1.13 1.02 -1.26 -4.99 120.64 109.94 1x6c n GLU 80 Ca 0.05 0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 57.77 1x6c n GLU 80 Cb 0.16 -2.60 -0.08 0.00 -0.02 0.00 0.00 31.44 28.90 1x6c n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x6c s THR 81 N 0.36 0.82 0.08 2.62 -4.23 -1.26 -4.61 115.64 109.42 1x6c s THR 81 Ca 0.70 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1x6c s THR 81 Cb -0.59 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1x6c s THR 81 CO 0.44 0.00 0.28 -0.36 -0.54 0.00 0.00 174.62 174.44 1x6c s PHE 82 N -3.14 -0.02 -0.15 3.99 0.08 0.09 -4.89 117.98 113.95 1x6c s PHE 82 Ca 0.22 -0.29 -0.13 0.00 0.12 0.00 0.00 56.93 56.85 1x6c s PHE 82 Cb 0.03 0.07 -0.24 0.00 -0.57 0.00 0.00 43.02 42.31 1x6c s PHE 82 CO 0.12 -0.57 0.34 0.22 -0.10 0.00 0.00 175.22 175.24 1x6c h ASP 83 N 2.81 0.27 -3.82 1.36 3.58 -1.88 0.26 116.42 119.00 1x6c h ASP 83 Ca -0.33 -0.79 -0.52 0.00 0.42 0.00 0.00 57.03 55.80 1x6c h ASP 83 Cb 1.21 -0.09 -0.19 0.00 1.72 0.00 0.00 39.33 41.98 1x6c h ASP 83 CO 0.51 1.71 -0.80 -0.44 -2.88 0.00 0.00 179.24 177.34 1x6c s SER 84 N -6.99 2.56 0.50 2.28 0.01 -1.26 -4.76 113.70 106.04 1x6c s SER 84 Ca -0.24 -0.79 0.15 0.00 1.31 0.00 0.00 55.95 56.37 1x6c s SER 84 Cb 0.06 -0.14 1.20 0.00 0.21 0.00 0.00 66.02 67.34 1x6c s SER 84 CO 0.71 -0.01 2.12 -0.07 0.41 0.00 0.00 173.24 176.40 1x6c h LEU 85 N 3.58 0.09 -0.57 2.44 -0.00 -1.98 -1.22 115.31 117.65 1x6c h LEU 85 Ca -0.43 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1x6c h LEU 85 Cb 1.20 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1x6c h LEU 85 CO 0.47 0.07 0.36 0.74 -0.00 0.00 0.00 178.44 180.08 1x6c h THR 86 N 0.11 1.16 0.00 0.22 2.02 -1.98 0.77 112.91 115.21 1x6c h THR 86 Ca 0.04 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1x6c h THR 86 Cb 0.04 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1x6c h THR 86 CO -0.01 0.15 0.00 0.44 0.37 0.00 0.00 175.52 176.48 1x6c h ASP 87 N 0.77 0.00 0.02 4.18 5.19 -1.64 0.34 116.42 125.27 1x6c h ASP 87 Ca 0.21 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 1x6c h ASP 87 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1x6c h ASP 87 CO -0.04 0.00 -0.55 0.25 -3.12 0.00 0.00 179.24 175.77 1x6c h LEU 88 N 0.00 0.06 -0.55 1.55 6.46 -0.33 -2.89 115.31 119.61 1x6c h LEU 88 Ca 0.00 -0.83 -0.14 0.00 -0.12 0.00 0.00 57.88 56.79 1x6c h LEU 88 Cb 0.56 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1x6c h LEU 88 CO 0.00 1.23 -0.36 0.58 -0.62 0.00 0.00 178.44 179.26 1x6c h VAL 89 N -0.91 1.28 0.00 1.05 2.07 0.56 -1.96 116.25 118.35 1x6c h VAL 89 Ca -0.14 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1x6c h VAL 89 Cb 1.19 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1x6c h VAL 89 CO -0.05 0.50 0.00 -0.62 0.02 0.00 0.00 177.57 177.42 1x6c n GLU 90 N -4.05 0.22 -0.09 1.57 1.02 0.12 -0.50 120.64 118.91 1x6c n GLU 90 Ca -0.02 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 1x6c n GLU 90 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.14 -3.37 115.15 113.08 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 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1x6c h HIS 91 CO 0.00 1.04 -0.06 1.19 -1.30 0.00 0.00 177.93 178.80 1x6c n PHE 92 N -4.50 0.00 0.28 5.26 3.72 -0.96 -3.23 117.46 118.03 1x6c n PHE 92 Ca -0.24 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.25 1x6c n PHE 92 Cb 0.54 -0.35 0.37 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.33 0.10 0.02 -1.08 5.02 0.34 -1.67 118.16 119.55 1x6c n LYS 93 Ca 0.11 0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 56.84 1x6c n LYS 93 Cb 0.29 -1.73 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1x6c n LYS 93 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x6c n LYS 94 N -1.92 0.05 0.08 1.97 2.85 -1.20 -4.41 118.16 115.58 1x6c n LYS 94 Ca 0.01 0.02 -0.08 0.00 -1.05 0.00 0.00 58.31 57.21 1x6c n LYS 94 Cb 0.12 -0.41 -0.05 0.00 -0.65 0.00 0.00 35.03 34.04 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 -0.09 0.00 0.00 0.58 1.35 -1.64 -3.48 112.91 109.63 1x6c h THR 95 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x6c h THR 95 Cb 0.09 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1x6c h THR 95 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1x6c n GLY 96 N -1.25 1.56 3.24 5.82 0.00 -0.67 -4.94 105.19 108.95 1x6c n GLY 96 Ca -0.05 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.55 2.02 -0.10 -0.61 1.01 0.26 -4.88 121.20 117.35 1x6c s ILE 97 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 1x6c s ILE 97 Cb 0.00 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1x6c s ILE 97 CO 0.00 0.56 0.51 -0.70 0.00 0.00 0.00 174.94 175.31 1x6c s GLU 98 N 0.03 4.34 0.59 2.79 2.12 -1.26 0.19 118.70 127.50 1x6c s GLU 98 Ca -0.09 0.52 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 1x6c s GLU 98 Cb -0.15 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1x6c s GLU 98 CO 0.06 0.17 0.95 -1.21 -0.54 0.00 0.00 175.26 174.69 1x6c s GLU 99 N 0.55 3.35 0.36 4.30 2.02 0.40 -4.93 118.70 124.76 1x6c s GLU 99 Ca 0.28 0.42 0.26 0.00 0.02 0.00 0.00 54.97 55.94 1x6c s GLU 99 Cb -0.16 -2.19 1.29 0.00 0.10 0.00 0.00 34.13 33.18 1x6c s GLU 99 CO 0.12 -0.57 1.78 0.00 0.02 0.00 0.00 175.26 176.61 1x6c h ALA 100 N -0.20 1.00 0.00 5.21 0.00 -1.98 0.20 119.26 123.50 1x6c h ALA 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1x6c h ALA 100 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x6c h ALA 100 CO 0.62 0.00 -0.17 0.77 0.00 0.00 0.00 179.25 180.47 1x6c h SER 101 N 0.00 0.00 0.00 0.00 0.02 -2.03 -3.47 113.55 108.07 1x6c h SER 101 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1x6c h SER 101 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1x6c h SER 101 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1x6c n GLY 102 N 1.16 2.55 3.79 -3.77 0.00 0.71 -5.08 105.19 104.54 1x6c n GLY 102 Ca 0.04 0.00 -0.34 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 -2.44 2.71 0.14 4.61 0.00 -1.26 -4.64 121.76 120.88 1x6c s ALA 103 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1x6c s ALA 103 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1x6c s ALA 103 CO 0.00 -0.77 0.18 -0.06 0.00 0.00 0.00 175.76 175.11 1x6c s PHE 104 N -2.15 3.30 0.07 0.00 0.40 -1.26 0.15 117.98 118.49 1x6c s PHE 104 Ca 0.67 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 1x6c s PHE 104 Cb -0.19 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1x6c s PHE 104 CO 0.31 0.53 -0.16 0.08 0.70 0.00 0.00 175.22 176.68 1x6c s VAL 105 N -1.67 1.23 0.08 -0.44 1.01 0.50 -4.90 120.40 116.21 1x6c s VAL 105 Ca 0.32 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1x6c s VAL 105 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x6c s VAL 105 CO 0.25 -0.12 -0.12 -0.31 0.00 0.00 0.00 175.10 174.81 1x6c s TYR 106 N -1.12 1.08 -0.96 5.22 2.02 -1.26 0.91 117.35 123.24 1x6c s TYR 106 Ca 0.01 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.07 1x6c s TYR 106 Cb -0.09 -0.61 0.25 0.00 -0.40 0.00 0.00 41.96 41.11 1x6c s TYR 106 CO 0.02 0.02 0.92 -0.51 -1.57 0.00 0.00 175.55 174.44 1x6c s LEU 107 N -1.98 6.38 0.44 -1.29 1.02 -1.26 -4.43 118.68 117.56 1x6c s LEU 107 Ca -0.00 -3.24 0.21 0.00 0.02 0.00 0.00 54.13 51.12 1x6c s LEU 107 Cb -0.07 -2.17 1.01 0.00 0.02 0.00 0.00 46.19 44.98 1x6c s LEU 107 CO 0.01 -0.39 1.90 0.03 0.02 0.00 0.00 176.35 177.93 1x6c h ARG 108 N 7.04 0.00 -1.18 1.70 3.08 -1.58 -3.45 114.38 119.98 1x6c h ARG 108 Ca 0.14 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.50 1x6c h ARG 108 Cb 0.93 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.78 1x6c h ARG 108 CO 0.89 0.26 0.93 1.14 -1.07 0.00 0.00 179.97 182.11 1x6c s GLN 109 N -4.01 0.12 0.89 0.04 -2.07 -1.11 -5.07 119.66 108.45 1x6c s GLN 109 Ca -0.02 -0.04 -0.12 0.00 -1.82 0.00 0.00 55.36 53.36 1x6c s GLN 109 Cb 0.13 0.05 0.13 0.00 -1.09 0.00 0.00 33.01 32.23 1x6c s GLN 109 CO 0.65 -0.05 1.13 -1.25 -1.32 0.00 0.00 175.29 174.45 1x6c s PRO 110 N -2.16 1.28 0.21 9.60 0.04 -1.26 -1.50 135.00 141.21 1x6c s PRO 110 Ca 0.11 0.34 0.26 0.00 0.04 0.00 0.00 61.00 61.74 1x6c s PRO 110 Cb -0.01 -1.85 0.85 0.00 0.04 0.00 0.00 34.50 33.53 1x6c s PRO 110 CO -0.03 -2.11 1.77 0.98 0.04 0.00 0.00 177.00 177.64 1x6c n TYR 111 N -3.72 0.90 -2.84 0.56 9.36 0.14 -4.65 117.16 116.92 1x6c n TYR 111 Ca 0.07 0.27 -0.01 0.00 3.32 0.00 0.00 57.90 61.55 1x6c n TYR 111 Cb 0.59 -0.95 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 1x6c n TYR 111 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1x6c n TYR 112 N -2.24 -0.09 -0.35 2.98 4.01 -1.26 -4.75 117.16 115.45 1x6c n TYR 112 Ca 0.05 0.04 0.13 0.00 -0.16 0.00 0.00 57.90 57.96 1x6c n TYR 112 Cb 0.39 -0.89 0.32 0.00 -0.31 0.00 0.00 39.34 38.85 1x6c n TYR 112 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1x6c h SER 113 N 3.18 0.79 0.00 7.72 4.64 -1.93 -3.47 113.55 124.48 1x6c h SER 113 Ca -0.02 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1x6c h SER 113 Cb 0.88 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1x6c h SER 113 CO 0.01 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1x6c n GLY 114 N -1.33 0.55 2.82 -0.77 0.00 -1.26 -4.48 105.19 100.72 1x6c n GLY 114 Ca 0.23 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1x6c n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6c n PRO 115 N 6.23 2.29 -3.84 1.61 -0.04 -1.26 -4.90 135.00 135.09 1x6c n PRO 115 Ca 0.00 -2.11 -0.35 0.00 -0.04 0.00 0.00 63.50 61.01 1x6c n PRO 115 Cb 0.00 -2.98 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 1x6c n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6c s SER 116 N 3.85 6.43 -0.07 3.54 0.01 -1.26 -4.71 113.70 121.48 1x6c s SER 116 Ca 0.52 0.46 -0.06 0.00 1.31 0.00 0.00 55.95 58.19 1x6c s SER 116 Cb 0.14 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.33 1x6c s SER 116 CO 0.00 0.29 0.10 -0.24 0.41 0.00 0.00 173.24 173.80 1x6c n SER 117 N 1.22 -6.46 0.00 2.44 2.88 -1.26 -5.17 113.62 107.27 1x6c n SER 117 Ca -0.13 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x6c n SER 117 Cb 0.53 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42