#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n TYR 7 N 0.00 0.00 -1.31 1.12 4.02 -1.26 -3.58 117.16 116.15 3f1f n TYR 7 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 3f1f n TYR 7 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 3f1f n TYR 7 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3f1f n GLN 8 N 0.00 2.23 -2.54 -0.72 3.00 -1.26 -3.19 117.38 114.89 3f1f n GLN 8 Ca 0.00 -2.06 -0.43 0.00 -0.01 0.00 0.00 57.00 54.50 3f1f n GLN 8 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 30.24 28.21 3f1f n GLN 8 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3f1f s ILE 9 N -2.03 4.48 -0.20 5.09 -0.00 -1.24 -4.93 121.20 122.37 3f1f s ILE 9 Ca 0.53 1.78 -0.29 0.00 -0.00 0.00 0.00 60.65 62.67 3f1f s ILE 9 Cb 0.35 -4.15 0.00 0.00 -0.00 0.00 0.00 42.46 38.66 3f1f s ILE 9 CO -0.15 -0.13 1.07 -2.16 -0.00 0.00 0.00 174.94 173.57 3f1f s PRO 10 N 3.16 4.28 0.31 0.37 0.04 -1.26 -0.60 135.00 141.29 3f1f s PRO 10 Ca 0.50 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3f1f s PRO 10 Cb -0.19 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 3f1f s PRO 10 CO 0.12 -0.60 0.47 0.08 0.04 0.00 0.00 177.00 177.11 3f1f s VAL 11 N 3.07 5.11 -0.01 -0.36 1.01 -0.67 -2.96 120.40 125.59 3f1f s VAL 11 Ca 0.46 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3f1f s VAL 11 Cb -0.17 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3f1f s VAL 11 CO 0.09 -0.45 -0.10 -0.22 0.00 0.00 0.00 175.10 174.42 3f1f s LEU 12 N -4.18 1.98 -0.01 3.92 2.96 -0.79 -3.33 118.68 119.23 3f1f s LEU 12 Ca 0.38 -0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 3f1f s LEU 12 Cb -0.09 -0.53 0.10 0.00 0.50 0.00 0.00 46.19 46.17 3f1f s LEU 12 CO 0.33 0.12 0.90 -0.55 -1.32 0.00 0.00 176.35 175.82 3f1f s SER 13 N -0.17 -0.36 0.54 3.68 0.15 -1.10 -2.36 113.70 114.09 3f1f s SER 13 Ca 0.03 0.02 0.22 0.00 0.70 0.00 0.00 55.95 56.91 3f1f s SER 13 Cb -0.05 0.38 1.44 0.00 -1.71 0.00 0.00 66.02 66.08 3f1f s SER 13 CO -0.00 -0.61 2.12 -0.65 1.20 0.00 0.00 173.24 175.31 3f1f h PRO 14 N 2.02 0.00 0.00 5.44 0.11 -1.97 0.28 132.00 137.88 3f1f h PRO 14 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3f1f h PRO 14 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3f1f h PRO 14 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 3f1f n SER 15 N -4.29 0.00 0.00 -2.05 3.41 -1.26 -4.98 113.62 104.45 3f1f n SER 15 Ca 0.01 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 3f1f n SER 15 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3f1f n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1f n GLY 16 N 0.32 -1.43 3.48 5.00 0.00 0.09 -4.89 105.19 107.74 3f1f n GLY 16 Ca 0.04 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3f1f n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 17 N 0.00 3.21 0.29 1.61 0.52 -1.26 -2.70 118.95 120.62 3f1f s ARG 17 Ca 0.00 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 3f1f s ARG 17 Cb 0.00 -4.09 0.06 0.00 0.52 0.00 0.00 34.95 31.43 3f1f s ARG 17 CO 0.00 -1.39 0.40 2.89 0.02 0.00 0.00 175.30 177.22 3f1f n ARG 18 N 6.87 0.44 -3.79 3.54 1.85 -1.21 -4.96 116.66 119.40 3f1f n ARG 18 Ca -0.03 -1.19 -0.13 0.00 -1.00 0.00 0.00 57.85 55.51 3f1f n ARG 18 Cb 0.46 -0.24 -0.12 0.00 -1.05 0.00 0.00 32.46 31.52 3f1f n ARG 18 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3f1f s GLU 19 N -3.43 0.27 0.36 2.89 2.02 -1.26 -1.67 118.70 117.89 3f1f s GLU 19 Ca 0.27 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.65 3f1f s GLU 19 Cb -0.02 0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.39 3f1f s GLU 19 CO 0.18 -0.04 0.39 1.28 0.02 0.00 0.00 175.26 177.09 3f1f n LEU 20 N 3.00 0.00 -3.68 1.80 4.77 0.23 -4.91 117.00 118.20 3f1f n LEU 20 Ca -0.13 -1.71 -0.27 0.00 -0.03 0.00 0.00 56.01 53.87 3f1f n LEU 20 Cb 0.58 -0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.35 3f1f n LEU 20 CO 0.18 -0.55 -0.35 0.00 -1.33 0.00 0.00 177.39 175.34 3f1f s ALA 21 N -2.47 0.73 0.25 -1.18 0.00 -1.21 -3.61 121.76 114.26 3f1f s ALA 21 Ca 0.29 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3f1f s ALA 21 Cb -0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3f1f s ALA 21 CO 0.19 -1.13 0.49 0.00 0.00 0.00 0.00 175.76 175.31 3f1f s ALA 22 N 1.99 3.70 -1.79 0.00 0.00 -1.19 -4.98 121.76 119.48 3f1f s ALA 22 Ca 0.01 -0.64 0.16 0.00 0.00 0.00 0.00 51.96 51.48 3f1f s ALA 22 Cb -0.16 -2.19 0.49 0.00 0.00 0.00 0.00 23.12 21.25 3f1f s ALA 22 CO -0.08 0.34 1.39 -3.47 0.00 0.00 0.00 175.76 173.94 3f1f n ASP 23 N -0.77 3.06 -4.65 0.00 2.03 -1.26 -4.21 116.55 110.75 3f1f n ASP 23 Ca -0.03 -2.09 -0.43 0.00 0.52 0.00 0.00 54.79 52.76 3f1f n ASP 23 Cb 0.54 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 3f1f n ASP 23 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3f1f n LEU 24 N 0.98 2.81 -4.48 -2.67 4.32 -1.23 -4.90 117.00 111.81 3f1f n LEU 24 Ca 0.18 1.20 -0.38 0.00 -0.02 0.00 0.00 56.01 56.99 3f1f n LEU 24 Cb 0.51 -1.40 0.05 0.00 -1.62 0.00 0.00 43.42 40.96 3f1f n LEU 24 CO 0.14 -0.87 0.12 -2.65 -1.22 0.00 0.00 177.39 172.91 3f1f n PRO 25 N 0.64 0.51 -0.02 3.23 -0.02 -1.26 -4.49 135.00 133.59 3f1f n PRO 25 Ca 0.07 0.20 -0.15 0.00 -2.02 0.00 0.00 63.50 61.60 3f1f n PRO 25 Cb 0.34 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 3f1f n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1f h ALA 26 N 0.13 0.41 -3.28 3.55 0.00 -1.98 -3.42 119.26 114.66 3f1f h ALA 26 Ca -0.46 -0.58 -0.47 0.00 0.00 0.00 0.00 54.91 53.40 3f1f h ALA 26 Cb 1.38 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.94 3f1f h ALA 26 CO 0.46 0.70 -0.79 -1.21 0.00 0.00 0.00 179.25 178.41 3f1f s GLU 27 N -3.82 1.03 -0.27 0.00 0.41 -1.26 -5.01 118.70 109.78 3f1f s GLU 27 Ca -0.09 -1.16 -0.07 0.00 -0.41 0.00 0.00 54.97 53.24 3f1f s GLU 27 Cb 0.09 -1.10 -0.01 0.00 -1.78 0.00 0.00 34.13 31.34 3f1f s GLU 27 CO 0.89 0.24 0.06 0.96 -0.49 0.00 0.00 175.26 176.92 3f1f s ILE 28 N -1.58 4.02 -0.54 -1.63 -4.36 -1.26 -4.96 121.20 110.89 3f1f s ILE 28 Ca 0.06 -0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 59.76 3f1f s ILE 28 Cb -0.08 -2.97 0.05 0.00 1.25 0.00 0.00 42.46 40.71 3f1f s ILE 28 CO 0.04 0.22 0.81 0.21 0.24 0.00 0.00 174.94 176.46 3f1f s ASN 29 N 1.54 6.28 0.32 4.36 3.84 -1.26 -4.92 114.94 125.09 3f1f s ASN 29 Ca 0.04 -0.64 0.01 0.00 0.21 0.00 0.00 52.86 52.48 3f1f s ASN 29 Cb -0.16 -2.37 0.56 0.00 -0.55 0.00 0.00 41.25 38.72 3f1f s ASN 29 CO 0.02 -1.11 1.94 -0.65 -2.79 0.00 0.00 177.10 174.51 3f1f h PRO 30 N 9.20 0.96 -0.64 0.43 0.11 -2.00 -1.62 132.00 138.44 3f1f h PRO 30 Ca -0.27 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3f1f h PRO 30 Cb 1.08 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 3f1f h PRO 30 CO 1.05 0.63 0.13 1.25 -0.21 0.00 0.00 178.00 180.85 3f1f h HIS 31 N 0.98 1.07 -0.82 0.65 -0.00 -1.98 -1.41 115.15 113.64 3f1f h HIS 31 Ca 0.35 -0.13 0.05 0.00 -0.00 0.00 0.00 60.37 60.64 3f1f h HIS 31 Cb 0.13 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.18 3f1f h HIS 31 CO -0.00 0.89 0.51 1.25 -0.00 0.00 0.00 177.93 180.59 3f1f h LEU 32 N 0.97 0.82 -0.68 0.26 5.85 -1.71 0.42 115.31 121.24 3f1f h LEU 32 Ca 0.20 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 3f1f h LEU 32 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3f1f h LEU 32 CO 0.01 0.54 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.48 3f1f h LEU 33 N 0.96 0.92 -1.69 2.25 4.07 -1.35 0.13 115.31 120.61 3f1f h LEU 33 Ca 0.35 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3f1f h LEU 33 Cb 0.11 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3f1f h LEU 33 CO -0.15 1.04 -0.17 -0.25 -1.08 0.00 0.00 178.44 177.82 3f1f h TRP 34 N 0.84 0.00 0.08 1.13 7.01 -0.15 0.79 115.95 125.64 3f1f h TRP 34 Ca 0.14 0.00 -0.28 0.00 2.11 0.00 0.00 58.89 60.86 3f1f h TRP 34 Cb 0.63 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.70 3f1f h TRP 34 CO 0.04 0.17 -1.15 0.93 -2.79 0.00 0.00 178.44 175.64 3f1f h GLU 35 N 0.00 0.54 -0.06 2.65 5.08 0.67 -2.85 114.58 120.61 3f1f h GLU 35 Ca -0.00 -0.69 -0.21 0.00 -1.00 0.00 0.00 59.36 57.46 3f1f h GLU 35 Cb 0.32 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3f1f h GLU 35 CO 0.02 1.29 -0.83 0.28 -1.00 0.00 0.00 179.01 178.78 3f1f h VAL 36 N 0.26 1.37 -0.29 3.13 2.07 -0.44 -2.52 116.25 119.83 3f1f h VAL 36 Ca -0.15 -2.24 -0.13 0.00 0.82 0.00 0.00 66.70 65.01 3f1f h VAL 36 Cb 1.82 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 3f1f h VAL 36 CO 0.21 0.68 -0.31 0.58 0.02 0.00 0.00 177.57 178.75 3f1f h VAL 37 N 0.30 1.30 -1.00 2.57 2.07 -0.97 -1.84 116.25 118.67 3f1f h VAL 37 Ca -0.05 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.05 3f1f h VAL 37 Cb 1.43 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 3f1f h VAL 37 CO 0.15 0.48 0.65 -0.09 0.02 0.00 0.00 177.57 178.77 3f1f h ARG 38 N 0.47 1.12 -0.45 1.57 2.43 -1.52 0.48 114.38 118.48 3f1f h ARG 38 Ca 0.04 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3f1f h ARG 38 Cb 0.89 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3f1f h ARG 38 CO 0.08 0.74 0.18 2.35 -1.51 0.00 0.00 179.97 181.81 3f1f h TRP 39 N 1.15 0.69 -0.36 2.20 7.01 -1.19 -0.77 115.95 124.68 3f1f h TRP 39 Ca 0.44 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.34 3f1f h TRP 39 Cb 0.21 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3f1f h TRP 39 CO -0.00 0.59 0.01 1.96 -2.79 0.00 0.00 178.44 178.20 3f1f h GLN 40 N 0.59 0.64 0.00 2.65 4.20 -0.46 -2.35 115.11 120.37 3f1f h GLN 40 Ca 0.15 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3f1f h GLN 40 Cb 0.19 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3f1f h GLN 40 CO -0.01 0.74 0.00 -0.07 -0.67 0.00 0.00 178.83 178.82 3f1f h LEU 41 N 0.46 0.00 0.15 1.46 3.38 -0.84 -3.14 115.31 116.78 3f1f h LEU 41 Ca 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 3f1f h LEU 41 Cb 0.45 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.22 3f1f h LEU 41 CO 0.02 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.67 3f1f h ALA 42 N 2.13 -0.10 -0.14 1.53 0.00 -0.68 -3.25 119.26 118.75 3f1f h ALA 42 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 3f1f h ALA 42 Cb 0.41 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3f1f h ALA 42 CO 0.00 0.41 -0.37 1.57 0.00 0.00 0.00 179.25 180.86 3f1f h LYS 43 N -0.33 0.30 0.00 0.00 2.10 -1.39 -2.23 116.57 115.02 3f1f h LYS 43 Ca -0.15 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3f1f h LYS 43 Cb 1.69 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 3f1f h LYS 43 CO 0.16 0.63 0.00 0.07 -2.00 0.00 0.00 179.45 178.31 3f1f h ARG 44 N 0.25 0.00 -6.35 0.07 0.11 -1.70 -3.44 114.38 103.33 3f1f h ARG 44 Ca 0.03 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.58 3f1f h ARG 44 Cb 0.77 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.87 3f1f h ARG 44 CO 0.06 0.00 1.22 0.50 0.10 0.00 0.00 179.97 181.85 3f1f s ARG 45 N -3.24 4.14 -0.29 0.08 3.52 -0.84 -4.94 118.95 117.39 3f1f s ARG 45 Ca 0.07 2.58 -0.14 0.00 -0.13 0.00 0.00 55.73 58.12 3f1f s ARG 45 Cb 0.10 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3f1f s ARG 45 CO 0.54 -0.95 0.31 0.50 -0.81 0.00 0.00 175.30 174.89 3f1f s ARG 46 N 4.43 3.90 0.08 5.12 3.52 -1.26 -4.58 118.95 130.16 3f1f s ARG 46 Ca 0.87 -0.17 -0.31 0.00 -0.13 0.00 0.00 55.73 55.99 3f1f s ARG 46 Cb -0.42 -3.69 -0.07 0.00 -1.56 0.00 0.00 34.95 29.22 3f1f s ARG 46 CO 0.41 -0.29 1.34 0.20 -0.81 0.00 0.00 175.30 176.14 3f1f s GLY 47 N 1.70 2.08 0.00 8.12 0.00 -1.26 -4.74 107.32 113.22 3f1f s GLY 47 Ca 0.12 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3f1f s GLY 47 CO 0.11 2.29 0.00 -0.37 0.00 0.00 0.00 173.10 175.12 3f1f n THR 48 N 4.07 0.00 -3.12 0.90 5.66 -1.26 -4.69 114.28 115.84 3f1f n THR 48 Ca 0.11 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.72 3f1f n THR 48 Cb 0.44 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.16 3f1f n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f1f s ALA 49 N 0.00 3.43 0.05 1.79 0.00 -1.26 -4.93 121.76 120.85 3f1f s ALA 49 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3f1f s ALA 49 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 3f1f s ALA 49 CO 0.00 -0.23 -0.05 0.45 0.00 0.00 0.00 175.76 175.94 3f1f s SER 50 N 0.88 0.66 0.18 0.00 0.15 -1.26 -2.69 113.70 111.63 3f1f s SER 50 Ca 0.33 -0.78 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 3f1f s SER 50 Cb -0.17 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3f1f s SER 50 CO 0.14 -0.40 0.28 0.42 1.20 0.00 0.00 173.24 174.87 3f1f s THR 51 N -2.66 0.05 -0.17 6.45 -4.23 -0.95 -4.94 115.64 109.18 3f1f s THR 51 Ca -0.01 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3f1f s THR 51 Cb -0.01 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 3f1f s THR 51 CO -0.04 -0.21 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.24 3f1f s LYS 52 N -4.01 3.57 0.85 3.99 1.02 -1.26 -4.90 119.74 118.99 3f1f s LYS 52 Ca 0.22 -0.56 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 3f1f s LYS 52 Cb 0.03 -2.93 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 3f1f s LYS 52 CO 0.04 0.11 1.11 0.95 -0.92 0.00 0.00 175.35 176.64 3f1f s THR 53 N 0.70 2.74 -1.57 2.17 -4.23 -1.26 -0.55 115.64 113.64 3f1f s THR 53 Ca -0.02 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3f1f s THR 53 Cb -0.15 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3f1f s THR 53 CO 0.02 -0.31 0.48 -2.11 -0.54 0.00 0.00 174.62 172.16 3f1f n ARG 54 N -3.88 0.00 -0.05 3.99 1.85 -1.26 -0.34 116.66 116.97 3f1f n ARG 54 Ca 0.10 0.05 -0.16 0.00 -1.00 0.00 0.00 57.85 56.84 3f1f n ARG 54 Cb 0.53 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 3f1f n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f1f n GLY 55 N -0.98 -0.67 0.10 2.89 0.00 -1.26 -4.35 105.19 100.92 3f1f n GLY 55 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3f1f n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f1f n GLU 56 N -3.21 0.34 -1.44 1.61 1.02 0.54 -4.90 120.64 114.61 3f1f n GLU 56 Ca -0.33 -0.19 -0.32 0.00 -0.02 0.00 0.00 57.16 56.30 3f1f n GLU 56 Cb 1.05 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 31.05 3f1f n GLU 56 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f1f s VAL 57 N -2.80 3.14 -0.93 2.62 0.11 -0.95 -4.93 120.40 116.66 3f1f s VAL 57 Ca 0.17 0.45 0.28 0.00 -2.93 0.00 0.00 61.98 59.94 3f1f s VAL 57 Cb 0.18 -2.92 0.22 0.00 -1.53 0.00 0.00 36.38 32.33 3f1f s VAL 57 CO 0.62 -0.41 1.83 0.00 -3.33 0.00 0.00 175.10 173.81 3f1f n ALA 58 N -3.06 2.46 -1.22 1.54 0.00 -1.26 -4.91 120.51 114.06 3f1f n ALA 58 Ca 0.10 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 3f1f n ALA 58 Cb 0.52 -1.43 0.23 0.00 0.00 0.00 0.00 19.45 18.78 3f1f n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f1f n TYR 59 N -1.68 -3.89 -3.12 0.00 4.02 -1.26 -5.07 117.16 106.15 3f1f n TYR 59 Ca 0.06 -0.99 -0.20 0.00 -0.01 0.00 0.00 57.90 56.76 3f1f n TYR 59 Cb 0.36 -1.08 0.05 0.00 -0.02 0.00 0.00 39.34 38.65 3f1f n TYR 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3f1f s SER 60 N -4.61 5.09 0.05 7.72 1.04 -1.26 -4.98 113.70 116.74 3f1f s SER 60 Ca 0.69 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 56.33 3f1f s SER 60 Cb -0.06 0.23 -0.23 0.00 0.10 0.00 0.00 66.02 66.06 3f1f s SER 60 CO 0.52 -1.27 1.00 1.23 0.98 0.00 0.00 173.24 175.71 3f1f h GLY 61 N 0.28 0.07 -4.17 7.32 0.00 -1.97 -3.43 103.07 101.16 3f1f h GLY 61 Ca -0.31 -0.18 -0.62 0.00 0.00 0.00 0.00 47.33 46.22 3f1f h GLY 61 CO 0.43 0.16 -0.71 -2.13 0.00 0.00 0.00 176.54 174.29 3f1f n ARG 62 N -3.29 0.23 -2.39 4.80 0.63 -1.26 -4.61 116.66 110.77 3f1f n ARG 62 Ca -0.09 0.08 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3f1f n ARG 62 Cb 1.00 -1.21 -0.02 0.00 0.45 0.00 0.00 32.46 32.67 3f1f n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3f1f s LYS 63 N -1.25 3.91 0.35 -0.14 2.20 -1.19 -4.19 119.74 119.42 3f1f s LYS 63 Ca 0.61 1.30 0.15 0.00 -0.36 0.00 0.00 55.97 57.66 3f1f s LYS 63 Cb -0.63 -3.89 1.13 0.00 -1.51 0.00 0.00 37.83 32.93 3f1f s LYS 63 CO 0.60 -1.13 1.61 0.97 -0.36 0.00 0.00 175.35 177.04 3f1f h ILE 64 N 5.97 0.11 -1.33 5.43 6.09 -0.15 -3.42 117.51 130.21 3f1f h ILE 64 Ca -0.27 -0.04 0.13 0.00 -1.37 0.00 0.00 64.86 63.32 3f1f h ILE 64 Cb 1.10 -0.00 -0.30 0.00 0.47 0.00 0.00 36.82 38.09 3f1f h ILE 64 CO 1.03 0.02 0.65 -1.66 -3.07 0.00 0.00 178.15 175.12 3f1f s TRP 65 N -5.67 -0.28 0.04 2.19 1.48 -1.26 -5.11 118.94 110.32 3f1f s TRP 65 Ca -0.10 0.64 0.02 0.00 -1.06 0.00 0.00 56.10 55.60 3f1f s TRP 65 Cb 0.31 0.38 0.13 0.00 -1.16 0.00 0.00 33.47 33.14 3f1f s TRP 65 CO 0.78 -0.13 0.15 -2.30 -4.06 0.00 0.00 176.95 171.38 3f1f n PRO 66 N 2.19 -0.01 -2.47 3.25 -0.02 -1.26 -4.49 135.00 132.19 3f1f n PRO 66 Ca -0.13 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3f1f n PRO 66 Cb 0.56 -0.23 0.04 0.00 -0.02 0.00 0.00 33.50 33.85 3f1f n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1f n GLN 67 N -3.12 -1.91 0.00 -0.52 10.64 -1.26 -5.04 117.38 116.17 3f1f n GLN 67 Ca 0.04 0.40 0.00 0.00 -1.83 0.00 0.00 57.00 55.61 3f1f n GLN 67 Cb 0.12 -3.76 0.00 0.00 -0.86 0.00 0.00 30.24 25.74 3f1f n GLN 67 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3f1f n LYS 68 N -2.38 0.00 -3.92 2.61 2.85 -1.26 -5.01 118.16 111.05 3f1f n LYS 68 Ca -0.08 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.80 3f1f n LYS 68 Cb 0.57 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.97 3f1f n LYS 68 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3f1f n HIS 69 N 0.00 -1.66 0.00 5.58 8.25 -1.26 -4.80 115.22 121.34 3f1f n HIS 69 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 3f1f n HIS 69 Cb 0.00 -2.94 0.00 0.00 1.12 0.00 0.00 29.99 28.17 3f1f n HIS 69 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3f1f n THR 70 N -4.33 0.00 0.00 1.59 5.66 -1.26 -5.00 114.28 110.93 3f1f n THR 70 Ca -0.15 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 3f1f n THR 70 Cb 0.59 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 3f1f n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3f1f n GLY 71 N 0.30 1.63 3.73 1.09 0.00 -1.26 -4.95 105.19 105.73 3f1f n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3f1f n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 72 N 0.00 1.33 0.00 1.61 1.81 -1.26 -5.02 118.95 117.42 3f1f s ARG 72 Ca 0.00 0.75 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 3f1f s ARG 72 Cb 0.00 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.68 3f1f s ARG 72 CO 0.00 -2.17 0.00 0.00 -0.68 0.00 0.00 175.30 172.45 3f1f n ALA 73 N -3.83 0.00 0.00 2.13 0.00 -1.26 -4.95 120.51 112.61 3f1f n ALA 73 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3f1f n ALA 73 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3f1f n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3f1f n ARG 74 N 0.00 0.00 -3.76 0.00 0.63 -1.26 -4.93 116.66 107.33 3f1f n ARG 74 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3f1f n ARG 74 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3f1f n ARG 74 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3f1f s HIS 75 N 0.00 -0.08 0.00 -0.14 3.76 -1.26 -5.08 115.29 112.49 3f1f s HIS 75 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 3f1f s HIS 75 Cb 0.00 0.38 0.00 0.00 1.11 0.00 0.00 32.58 34.07 3f1f s HIS 75 CO 0.00 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.38 3f1f n GLY 76 N -0.34 -0.46 3.47 -2.22 0.00 -1.26 -4.40 105.19 99.98 3f1f n GLY 76 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3f1f n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f1f s ASP 77 N -2.89 -0.57 0.63 1.61 -4.77 -1.26 0.50 116.67 109.92 3f1f s ASP 77 Ca 0.00 0.81 0.18 0.00 -3.30 0.00 0.00 52.55 50.24 3f1f s ASP 77 Cb 0.00 0.78 0.82 0.00 -1.09 0.00 0.00 42.92 43.42 3f1f s ASP 77 CO 0.00 -0.42 1.40 0.40 0.70 0.00 0.00 175.17 177.25 3f1f h ILE 78 N 3.62 0.06 -0.77 2.11 5.03 -1.84 0.40 117.51 126.12 3f1f h ILE 78 Ca -0.28 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.55 3f1f h ILE 78 Cb 1.16 0.22 -0.07 0.00 -3.03 0.00 0.00 36.82 35.09 3f1f h ILE 78 CO 0.29 0.00 0.42 1.23 -0.68 0.00 0.00 178.15 179.40 3f1f h GLY 79 N 0.00 1.17 -5.85 5.37 0.00 -1.88 -3.36 103.07 98.52 3f1f h GLY 79 Ca 0.19 -0.28 -0.75 0.00 0.00 0.00 0.00 47.33 46.50 3f1f h GLY 79 CO -0.00 0.11 0.38 0.00 0.00 0.00 0.00 176.54 177.03 3f1f n ALA 80 N -2.38 -2.06 0.10 3.60 0.00 0.14 0.75 120.51 120.66 3f1f n ALA 80 Ca 0.12 0.48 0.06 0.00 0.00 0.00 0.00 53.44 54.10 3f1f n ALA 80 Cb 0.26 -1.65 0.31 0.00 0.00 0.00 0.00 19.45 18.37 3f1f n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3f1f n PRO 81 N 2.65 0.07 -0.05 0.00 -0.04 -1.26 -0.59 135.00 135.78 3f1f n PRO 81 Ca 0.24 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 3f1f n PRO 81 Cb -0.00 -1.85 0.42 0.00 -0.04 0.00 0.00 33.50 32.03 3f1f n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3f1f n ILE 82 N -1.89 0.14 -3.35 0.52 -5.35 -1.26 -4.72 119.36 103.46 3f1f n ILE 82 Ca -0.01 -0.32 -0.35 0.00 -0.27 0.00 0.00 62.75 61.81 3f1f n ILE 82 Cb 0.13 0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.40 3f1f n ILE 82 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3f1f s PHE 83 N -1.86 3.57 0.08 4.28 0.40 0.24 -5.02 117.98 119.68 3f1f s PHE 83 Ca 0.34 1.05 -0.31 0.00 -0.60 0.00 0.00 56.93 57.42 3f1f s PHE 83 Cb 0.19 -2.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.29 3f1f s PHE 83 CO 0.29 0.39 1.21 0.54 0.70 0.00 0.00 175.22 178.35 3f1f s VAL 84 N -1.54 3.93 -0.19 -0.44 0.11 -1.26 -1.46 120.40 119.54 3f1f s VAL 84 Ca 0.40 1.40 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 3f1f s VAL 84 Cb -0.14 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 3f1f s VAL 84 CO 0.19 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 3f1f n GLY 85 N 3.14 0.53 0.00 6.54 0.00 -1.26 -5.05 105.19 109.09 3f1f n GLY 85 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3f1f n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 86 N -2.74 0.39 3.87 -0.02 0.00 -0.53 -4.83 105.19 101.33 3f1f n GLY 86 Ca -0.02 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 3f1f n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f1f s GLY 87 N -1.79 1.65 0.24 -0.02 0.00 0.23 -4.92 107.32 102.71 3f1f s GLY 87 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.49 3f1f s GLY 87 CO 0.00 0.12 0.50 0.54 0.00 0.00 0.00 173.10 174.26 3f1f s VAL 88 N -3.23 5.05 0.00 1.40 0.11 0.28 -4.13 120.40 119.88 3f1f s VAL 88 Ca 0.56 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 3f1f s VAL 88 Cb -0.11 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 3f1f s VAL 88 CO 0.53 -0.18 0.00 0.52 -3.33 0.00 0.00 175.10 172.65 3f1f n VAL 89 N -0.52 0.00 -0.06 2.04 0.31 -1.26 -4.13 118.33 114.72 3f1f n VAL 89 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3f1f n VAL 89 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3f1f n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3f1f n PHE 90 N 0.00 0.00 -1.33 3.52 3.72 -1.26 -4.80 117.46 117.31 3f1f n PHE 90 Ca 0.00 -0.31 -0.33 0.00 -0.05 0.00 0.00 57.45 56.75 3f1f n PHE 90 Cb 0.00 -0.30 0.10 0.00 -0.94 0.00 0.00 39.48 38.35 3f1f n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3f1f s GLY 91 N 1.77 2.18 0.64 1.37 0.00 -1.26 -4.97 107.32 107.05 3f1f s GLY 91 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 44.72 45.31 3f1f s GLY 91 CO 0.00 1.17 1.09 -1.55 0.00 0.00 0.00 173.10 173.81 3f1f n PRO 92 N -2.99 0.90 -4.05 2.90 -0.04 -1.26 -4.82 135.00 125.64 3f1f n PRO 92 Ca 0.13 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3f1f n PRO 92 Cb 0.51 -2.32 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 3f1f n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3f1f s LYS 93 N -3.11 0.50 0.32 0.54 -0.14 -1.19 -2.23 119.74 114.43 3f1f s LYS 93 Ca 0.79 -0.89 -0.28 0.00 -1.36 0.00 0.00 55.97 54.23 3f1f s LYS 93 Cb -0.39 0.00 -0.13 0.00 -1.68 0.00 0.00 37.83 35.63 3f1f s LYS 93 CO 0.44 -0.04 1.23 -0.35 -0.76 0.00 0.00 175.35 175.87 3f1f n PRO 94 N 0.99 1.90 -3.61 -1.68 -0.04 -1.10 -4.80 135.00 126.67 3f1f n PRO 94 Ca -0.20 0.67 -0.16 0.00 -0.04 0.00 0.00 63.50 63.77 3f1f n PRO 94 Cb 0.57 -2.20 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3f1f n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3f1f s ARG 95 N -1.63 0.90 -0.39 0.54 1.70 -1.26 -4.97 118.95 113.84 3f1f s ARG 95 Ca 0.58 0.22 -0.26 0.00 -0.47 0.00 0.00 55.73 55.80 3f1f s ARG 95 Cb -0.61 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.20 3f1f s ARG 95 CO 0.60 -0.25 0.92 0.34 -1.08 0.00 0.00 175.30 175.83 3f1f s ASP 96 N -1.00 6.62 0.16 -2.89 2.15 -1.26 -4.02 116.67 116.43 3f1f s ASP 96 Ca -0.10 0.45 0.26 0.00 0.43 0.00 0.00 52.55 53.59 3f1f s ASP 96 Cb -0.02 -2.46 0.85 0.00 -0.30 0.00 0.00 42.92 40.99 3f1f s ASP 96 CO 0.07 -0.90 1.76 -1.22 -0.17 0.00 0.00 175.17 174.71 3f1f n TYR 97 N 6.85 0.70 -1.46 -5.34 4.01 -1.26 -4.90 117.16 115.77 3f1f n TYR 97 Ca 0.07 0.20 -0.32 0.00 -0.16 0.00 0.00 57.90 57.69 3f1f n TYR 97 Cb 0.48 -0.82 0.07 0.00 -0.31 0.00 0.00 39.34 38.77 3f1f n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3f1f s SER 98 N -4.17 4.73 0.27 7.72 1.04 -1.26 -4.71 113.70 117.32 3f1f s SER 98 Ca 0.11 1.90 -0.14 0.00 0.48 0.00 0.00 55.95 58.31 3f1f s SER 98 Cb 0.14 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3f1f s SER 98 CO 0.60 -1.88 0.53 -0.72 0.98 0.00 0.00 173.24 172.74 3f1f s TYR 99 N -2.67 0.31 -0.92 5.02 1.13 -1.26 -5.01 117.35 113.96 3f1f s TYR 99 Ca 0.64 -0.70 -0.07 0.00 -1.41 0.00 0.00 57.07 55.52 3f1f s TYR 99 Cb -0.19 0.28 0.23 0.00 -1.10 0.00 0.00 41.96 41.19 3f1f s TYR 99 CO 0.50 -1.07 0.85 0.99 -2.51 0.00 0.00 175.55 174.31 3f1f s THR 100 N -3.85 5.15 0.01 -3.49 2.01 -1.26 -4.97 115.64 109.23 3f1f s THR 100 Ca 0.21 -3.25 -0.30 0.00 0.31 0.00 0.00 61.69 58.66 3f1f s THR 100 Cb -0.02 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 3f1f s THR 100 CO 0.10 -1.08 1.82 -0.22 -0.69 0.00 0.00 174.62 174.55 3f1f s LEU 101 N -0.77 4.39 0.27 4.42 2.96 -1.26 -4.88 118.68 123.81 3f1f s LEU 101 Ca 0.25 2.49 -0.28 0.00 -0.22 0.00 0.00 54.13 56.37 3f1f s LEU 101 Cb -0.11 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 3f1f s LEU 101 CO -0.09 -0.99 0.90 -2.65 -1.32 0.00 0.00 176.35 172.20 3f1f n PRO 102 N 7.22 1.07 -0.16 0.98 -0.02 -1.26 -4.68 135.00 138.14 3f1f n PRO 102 Ca 0.19 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3f1f n PRO 102 Cb 0.42 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3f1f n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3f1f h LYS 103 N 1.77 0.70 -0.85 -0.52 1.57 -2.00 -1.39 116.57 115.84 3f1f h LYS 103 Ca -0.37 -0.13 0.18 0.00 -1.87 0.00 0.00 60.65 58.45 3f1f h LYS 103 Cb 1.36 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 3f1f h LYS 103 CO 0.60 0.64 -0.18 0.87 -0.57 0.00 0.00 179.45 180.80 3f1f h LYS 104 N 0.61 0.01 -0.71 3.15 6.56 -2.01 0.36 116.57 124.54 3f1f h LYS 104 Ca 0.15 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3f1f h LYS 104 Cb 0.21 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 3f1f h LYS 104 CO -0.01 0.00 0.44 0.28 -2.06 0.00 0.00 179.45 178.11 3f1f h VAL 105 N 0.01 1.20 -0.65 0.50 2.07 -1.60 -1.13 116.25 116.64 3f1f h VAL 105 Ca 0.42 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3f1f h VAL 105 Cb 0.66 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3f1f h VAL 105 CO -0.87 0.20 0.40 0.03 0.02 0.00 0.00 177.57 177.35 3f1f h ARG 106 N 0.97 0.74 0.29 1.57 2.47 -0.59 -1.35 114.38 118.49 3f1f h ARG 106 Ca 0.26 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3f1f h ARG 106 Cb -0.06 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 3f1f h ARG 106 CO -0.05 0.49 -0.14 0.87 0.56 0.00 0.00 179.97 181.70 3f1f h LYS 107 N 0.77 -0.38 -0.85 0.04 1.57 -1.00 -2.39 116.57 114.32 3f1f h LYS 107 Ca 0.27 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.23 3f1f h LYS 107 Cb 0.06 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.30 3f1f h LYS 107 CO -0.12 -0.04 -0.27 1.63 -0.57 0.00 0.00 179.45 180.08 3f1f n LYS 108 N -5.06 -0.13 0.24 3.15 4.76 -0.46 -0.59 118.16 120.06 3f1f n LYS 108 Ca -0.08 1.32 -0.18 0.00 -2.87 0.00 0.00 58.31 56.51 3f1f n LYS 108 Cb 0.26 -1.97 -0.10 0.00 -1.84 0.00 0.00 35.03 31.38 3f1f n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3f1f h GLY 109 N 0.00 -1.24 0.05 0.72 0.00 -1.12 0.21 103.07 101.70 3f1f h GLY 109 Ca 0.36 0.61 0.14 0.00 0.00 0.00 0.00 47.33 48.44 3f1f h GLY 109 CO -0.87 -0.35 0.21 -2.00 0.00 0.00 0.00 176.54 173.54 3f1f h LEU 110 N -0.93 0.10 0.04 3.11 5.85 -0.32 0.50 115.31 123.67 3f1f h LEU 110 Ca -0.05 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3f1f h LEU 110 Cb 0.83 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3f1f h LEU 110 CO -0.12 0.02 -0.02 0.00 -0.34 0.00 0.00 178.44 177.98 3f1f h ALA 111 N 1.56 -0.05 -0.55 1.25 0.00 -0.49 -1.29 119.26 119.69 3f1f h ALA 111 Ca 0.40 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3f1f h ALA 111 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3f1f h ALA 111 CO -0.45 -0.49 0.14 0.52 0.00 0.00 0.00 179.25 178.97 3f1f h MET 112 N -0.13 0.84 0.79 0.00 2.86 0.80 0.73 114.93 120.82 3f1f h MET 112 Ca -0.01 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3f1f h MET 112 Cb 0.12 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.66 3f1f h MET 112 CO 0.01 0.75 -0.38 0.00 1.06 0.00 0.00 176.91 178.35 3f1f h ALA 113 N 1.34 -1.28 -0.62 6.32 0.00 0.10 0.22 119.26 125.35 3f1f h ALA 113 Ca 0.18 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3f1f h ALA 113 Cb 0.29 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 3f1f h ALA 113 CO -0.00 -1.20 -0.25 0.28 0.00 0.00 0.00 179.25 178.08 3f1f h VAL 114 N -1.08 0.25 0.04 0.00 2.07 -1.10 -1.78 116.25 114.65 3f1f h VAL 114 Ca -0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3f1f h VAL 114 Cb 0.82 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3f1f h VAL 114 CO 0.18 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.44 3f1f h ALA 115 N 1.33 -0.51 -0.96 1.67 0.00 -0.63 -0.55 119.26 119.61 3f1f h ALA 115 Ca 0.28 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.45 3f1f h ALA 115 Cb 0.52 0.56 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 3f1f h ALA 115 CO -0.68 -0.85 0.45 0.22 0.00 0.00 0.00 179.25 178.39 3f1f h ASP 116 N -0.51 0.33 -0.27 0.00 3.58 0.32 0.73 116.42 120.60 3f1f h ASP 116 Ca 0.05 0.19 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 3f1f h ASP 116 Cb 0.57 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.81 3f1f h ASP 116 CO -0.24 -0.14 -0.49 0.03 -2.88 0.00 0.00 179.24 175.51 3f1f h ARG 117 N 0.29 0.82 -0.51 0.28 -0.00 -0.91 -2.20 114.38 112.14 3f1f h ARG 117 Ca 0.67 -0.51 0.04 0.00 -0.50 0.00 0.00 59.98 59.67 3f1f h ARG 117 Cb 1.47 0.06 -0.04 0.00 0.00 0.00 0.00 29.97 31.46 3f1f h ARG 117 CO -0.63 1.15 0.28 0.00 0.00 0.00 0.00 179.97 180.77 3f1f h ALA 118 N 0.67 0.66 0.00 0.04 0.00 0.17 0.98 119.26 121.77 3f1f h ALA 118 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f1f h ALA 118 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3f1f h ALA 118 CO 0.11 -0.04 0.00 -0.09 0.00 0.00 0.00 179.25 179.23 3f1f h ARG 119 N 0.55 0.00 0.00 0.00 2.43 -0.35 -0.15 114.38 116.86 3f1f h ARG 119 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3f1f h ARG 119 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3f1f h ARG 119 CO -0.13 0.00 -0.75 -1.91 -1.51 0.00 0.00 179.97 175.67 3f1f n GLU 120 N -2.84 0.20 -0.27 0.20 2.13 -0.29 -4.96 120.64 114.81 3f1f n GLU 120 Ca 0.01 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3f1f n GLU 120 Cb 0.26 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.38 3f1f n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f1f n GLY 121 N 1.40 1.84 0.17 8.31 0.00 0.18 -4.91 105.19 112.20 3f1f n GLY 121 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3f1f n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f h LYS 122 N 2.78 0.05 -6.88 1.61 1.79 -1.63 -3.44 116.57 110.86 3f1f h LYS 122 Ca 0.00 -0.03 -0.54 0.00 -2.18 0.00 0.00 60.65 57.90 3f1f h LYS 122 Cb 0.00 -0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.75 3f1f h LYS 122 CO 0.00 0.50 0.78 -0.11 -1.08 0.00 0.00 179.45 179.53 3f1f n LEU 123 N -4.00 4.53 -3.26 2.94 7.94 -1.20 -4.07 117.00 119.88 3f1f n LEU 123 Ca -0.02 1.20 -0.05 0.00 -1.11 0.00 0.00 56.01 56.03 3f1f n LEU 123 Cb 0.48 -1.60 -0.04 0.00 0.53 0.00 0.00 43.42 42.80 3f1f n LEU 123 CO 0.40 0.09 -0.02 -0.22 -1.11 0.00 0.00 177.39 176.54 3f1f s LEU 124 N -1.50 -1.01 0.39 -1.96 2.96 -0.85 -4.55 118.68 112.16 3f1f s LEU 124 Ca 0.57 -0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 53.77 3f1f s LEU 124 Cb -0.49 1.39 -0.09 0.00 0.50 0.00 0.00 46.19 47.50 3f1f s LEU 124 CO 0.59 -0.30 1.10 -0.76 -1.32 0.00 0.00 176.35 175.66 3f1f s LEU 125 N 2.37 4.18 0.27 -0.68 1.43 -1.16 -2.29 118.68 122.81 3f1f s LEU 125 Ca 0.12 2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 55.37 3f1f s LEU 125 Cb -0.11 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 3f1f s LEU 125 CO -0.22 -0.55 0.32 0.68 0.23 0.00 0.00 176.35 176.81 3f1f s VAL 126 N -1.53 0.00 0.00 -1.59 -7.23 0.13 -1.88 120.40 108.30 3f1f s VAL 126 Ca 0.57 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 3f1f s VAL 126 Cb -0.26 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3f1f s VAL 126 CO 0.33 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.33 3f1f n GLU 127 N -0.44 3.92 -1.20 4.82 4.07 -1.00 -1.39 120.64 129.43 3f1f n GLU 127 Ca 0.02 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.77 3f1f n GLU 127 Cb 0.63 -0.41 -0.02 0.00 -0.06 0.00 0.00 31.44 31.58 3f1f n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3f1f n ALA 128 N -0.10 6.21 -2.78 4.31 0.00 -1.24 -4.85 120.51 122.05 3f1f n ALA 128 Ca 0.00 -3.13 -0.43 0.00 0.00 0.00 0.00 53.44 49.88 3f1f n ALA 128 Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 19.45 16.12 3f1f n ALA 128 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3f1f s PHE 129 N 2.85 3.00 0.13 0.00 0.08 -1.26 -4.81 117.98 117.98 3f1f s PHE 129 Ca 0.57 -1.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.09 3f1f s PHE 129 Cb 0.15 -4.48 -0.07 0.00 -0.57 0.00 0.00 43.02 38.04 3f1f s PHE 129 CO -0.04 -1.64 1.33 0.00 -0.10 0.00 0.00 175.22 174.76 3f1f h ALA 130 N 8.43 0.40 -1.25 5.36 0.00 -1.98 -3.40 119.26 126.82 3f1f h ALA 130 Ca 0.26 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 3f1f h ALA 130 Cb 0.96 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3f1f h ALA 130 CO 1.29 0.78 1.20 0.20 0.00 0.00 0.00 179.25 182.72 3f1f s GLY 131 N -4.35 0.81 0.00 0.00 0.00 -1.26 -4.89 107.32 97.63 3f1f s GLY 131 Ca -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3f1f s GLY 131 CO 0.87 2.86 0.00 3.33 0.00 0.00 0.00 173.10 180.16 3f1f n VAL 132 N 6.80 0.00 -1.01 1.40 0.24 -1.26 -4.55 118.33 119.94 3f1f n VAL 132 Ca 0.18 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.08 3f1f n VAL 132 Cb 0.50 -0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 3f1f n VAL 132 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3f1f n ASN 133 N -0.13 0.58 -4.48 -1.34 3.02 -1.26 -4.46 115.26 107.20 3f1f n ASN 133 Ca 0.00 0.70 -0.44 0.00 -0.03 0.00 0.00 54.58 54.82 3f1f n ASN 133 Cb 0.00 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.54 3f1f n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1f n GLY 134 N 2.10 -0.09 3.15 7.41 0.00 -1.26 -4.81 105.19 111.68 3f1f n GLY 134 Ca 0.17 0.98 0.04 0.00 0.00 0.00 0.00 46.02 47.22 3f1f n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f1f s LYS 135 N 7.96 0.46 0.23 1.61 2.47 -1.26 -4.83 119.74 126.38 3f1f s LYS 135 Ca 1.19 0.52 -0.07 0.00 -1.56 0.00 0.00 55.97 56.05 3f1f s LYS 135 Cb -0.93 0.25 0.37 0.00 -1.46 0.00 0.00 37.83 36.06 3f1f s LYS 135 CO 0.45 -0.81 1.28 0.25 0.16 0.00 0.00 175.35 176.68 3f1f n THR 136 N 5.36 -0.35 -0.26 3.43 -2.24 -1.26 0.75 114.28 119.71 3f1f n THR 136 Ca 0.05 1.87 0.07 0.00 -2.27 0.00 0.00 64.05 63.77 3f1f n THR 136 Cb 0.54 -2.59 0.20 0.00 -2.10 0.00 0.00 70.33 66.38 3f1f n THR 136 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3f1f h LYS 137 N 0.00 0.18 0.19 -0.78 1.57 -1.96 0.36 116.57 116.12 3f1f h LYS 137 Ca 0.39 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3f1f h LYS 137 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3f1f h LYS 137 CO -0.84 0.12 -0.16 0.93 -0.57 0.00 0.00 179.45 178.93 3f1f h GLU 138 N 0.19 -0.32 -0.88 3.15 5.08 -0.02 -0.50 114.58 121.27 3f1f h GLU 138 Ca 0.44 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 59.05 3f1f h GLU 138 Cb 0.80 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 3f1f h GLU 138 CO -0.60 -0.22 0.60 0.35 -1.00 0.00 0.00 179.01 178.14 3f1f h PHE 139 N -0.34 0.30 0.84 4.33 3.57 -1.33 0.29 116.94 124.60 3f1f h PHE 139 Ca -0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3f1f h PHE 139 Cb 0.29 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3f1f h PHE 139 CO -0.08 0.07 -0.46 1.25 -2.23 0.00 0.00 178.31 176.87 3f1f h LEU 140 N 0.22 -1.13 -1.54 0.59 5.85 0.21 0.25 115.31 119.77 3f1f h LEU 140 Ca 0.44 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.23 3f1f h LEU 140 Cb 1.37 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.69 3f1f h LEU 140 CO -0.10 -0.74 0.33 0.00 -0.34 0.00 0.00 178.44 177.59 3f1f h ALA 141 N -1.10 1.70 -0.50 1.25 0.00 0.68 -1.91 119.26 119.39 3f1f h ALA 141 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3f1f h ALA 141 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3f1f h ALA 141 CO 0.15 0.25 0.17 2.35 0.00 0.00 0.00 179.25 182.17 3f1f h TRP 142 N 0.62 0.80 0.00 0.00 7.01 -0.15 -2.36 115.95 121.87 3f1f h TRP 142 Ca 0.19 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 3f1f h TRP 142 Cb 0.02 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 3f1f h TRP 142 CO -0.00 0.68 -0.36 0.00 -2.79 0.00 0.00 178.44 175.97 3f1f h ALA 143 N 1.03 1.30 -0.35 2.65 0.00 0.14 -2.30 119.26 121.73 3f1f h ALA 143 Ca 0.16 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3f1f h ALA 143 Cb 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3f1f h ALA 143 CO -0.01 0.46 -0.03 -0.22 0.00 0.00 0.00 179.25 179.45 3f1f h LYS 144 N 0.00 0.07 -0.23 0.00 3.64 -0.82 0.40 116.57 119.63 3f1f h LYS 144 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3f1f h LYS 144 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3f1f h LYS 144 CO 0.05 0.04 0.07 1.49 -2.27 0.00 0.00 179.45 178.83 3f1f h GLU 145 N 0.07 0.36 0.00 1.90 4.57 -1.36 -2.98 114.58 117.13 3f1f h GLU 145 Ca 0.17 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3f1f h GLU 145 Cb 0.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3f1f h GLU 145 CO -0.31 0.45 0.00 0.00 -1.18 0.00 0.00 179.01 177.97 3f1f n ALA 146 N -2.28 1.07 -0.52 2.92 0.00 -0.61 -4.78 120.51 116.31 3f1f n ALA 146 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3f1f n ALA 146 Cb 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3f1f n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f1f n GLY 147 N -1.26 0.74 3.40 0.00 0.00 -0.53 -5.03 105.19 102.50 3f1f n GLY 147 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3f1f n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1f s LEU 148 N 0.00 5.55 -0.19 0.99 1.43 0.02 -4.92 118.68 121.56 3f1f s LEU 148 Ca 0.00 -1.28 0.07 0.00 -1.03 0.00 0.00 54.13 51.89 3f1f s LEU 148 Cb 0.00 -2.21 -0.17 0.00 0.03 0.00 0.00 46.19 43.85 3f1f s LEU 148 CO 0.00 -0.66 -0.09 -0.90 0.23 0.00 0.00 176.35 174.93 3f1f n ASP 149 N 5.29 1.76 0.00 2.29 5.75 -1.26 -3.36 116.55 127.02 3f1f n ASP 149 Ca -0.12 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 3f1f n ASP 149 Cb 0.44 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 3f1f n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f1f n GLY 150 N 2.28 0.23 0.16 6.12 0.00 -1.26 -5.00 105.19 107.72 3f1f n GLY 150 Ca -0.33 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3f1f n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3f1f h SER 151 N 0.00 0.00 -5.00 1.61 0.87 -1.96 -3.46 113.55 105.61 3f1f h SER 151 Ca 0.00 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 3f1f h SER 151 Cb 0.00 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 61.76 3f1f h SER 151 CO 0.00 0.01 -0.66 -1.61 -0.53 0.00 0.00 176.83 174.03 3f1f s GLU 152 N -3.18 0.36 0.17 2.24 2.02 -1.26 -5.14 118.70 113.91 3f1f s GLU 152 Ca 0.08 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 3f1f s GLU 152 Cb 0.09 0.13 -0.08 0.00 0.10 0.00 0.00 34.13 34.37 3f1f s GLU 152 CO 0.66 -0.07 1.17 -1.54 0.02 0.00 0.00 175.26 175.50 3f1f s SER 153 N -1.56 7.14 -0.17 -0.19 1.04 -1.26 -4.92 113.70 113.77 3f1f s SER 153 Ca -0.14 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.46 3f1f s SER 153 Cb -0.08 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.46 3f1f s SER 153 CO -0.01 -0.34 -0.14 -0.69 0.98 0.00 0.00 173.24 173.04 3f1f s VAL 154 N 0.03 1.69 -0.59 5.02 1.01 0.25 -0.47 120.40 127.34 3f1f s VAL 154 Ca 0.53 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3f1f s VAL 154 Cb -0.31 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3f1f s VAL 154 CO 0.35 0.38 1.13 -0.22 0.00 0.00 0.00 175.10 176.74 3f1f s LEU 155 N 1.42 3.63 -0.13 3.92 2.96 -0.12 -1.65 118.68 128.70 3f1f s LEU 155 Ca 0.03 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 3f1f s LEU 155 Cb -0.14 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 3f1f s LEU 155 CO -0.10 -1.45 0.52 -0.22 -1.32 0.00 0.00 176.35 173.78 3f1f s LEU 156 N 4.73 4.25 -0.15 -0.68 2.96 -0.74 -2.85 118.68 126.21 3f1f s LEU 156 Ca 0.38 0.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.14 3f1f s LEU 156 Cb -0.09 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.87 3f1f s LEU 156 CO 0.22 -0.06 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.42 3f1f s VAL 157 N 0.88 1.20 0.13 1.68 1.01 -1.07 -1.71 120.40 122.52 3f1f s VAL 157 Ca 0.27 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 3f1f s VAL 157 Cb -0.16 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.01 3f1f s VAL 157 CO 0.11 0.28 0.50 0.28 0.00 0.00 0.00 175.10 176.27 3f1f s THR 158 N 1.62 0.04 0.11 3.92 -1.32 -0.79 -1.80 115.64 117.41 3f1f s THR 158 Ca 0.03 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 3f1f s THR 158 Cb -0.14 -1.07 -0.21 0.00 -1.51 0.00 0.00 72.50 69.57 3f1f s THR 158 CO -0.08 -0.16 1.26 1.23 -2.21 0.00 0.00 174.62 174.65 3f1f h GLY 159 N 2.26 0.42 -7.08 6.08 0.00 -1.96 -3.38 103.07 99.41 3f1f h GLY 159 Ca -0.34 -0.81 -0.55 0.00 0.00 0.00 0.00 47.33 45.64 3f1f h GLY 159 CO 0.42 0.71 1.24 0.21 0.00 0.00 0.00 176.54 179.13 3f1f s ASN 160 N -7.11 5.81 0.50 0.19 3.84 -1.26 -4.85 114.94 112.06 3f1f s ASN 160 Ca -0.05 0.78 0.26 0.00 0.21 0.00 0.00 52.86 54.06 3f1f s ASN 160 Cb 0.08 -2.53 1.34 0.00 -0.55 0.00 0.00 41.25 39.59 3f1f s ASN 160 CO 0.87 -1.87 1.89 -0.33 -2.79 0.00 0.00 177.10 174.87 3f1f h GLU 161 N 12.90 0.13 -0.45 0.43 4.39 -1.99 -0.23 114.58 129.76 3f1f h GLU 161 Ca -0.29 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 3f1f h GLU 161 Cb 1.15 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3f1f h GLU 161 CO 1.12 0.09 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.94 3f1f h LEU 162 N 0.13 0.82 -0.70 1.33 3.38 -1.92 0.26 115.31 118.62 3f1f h LEU 162 Ca 0.42 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3f1f h LEU 162 Cb 1.44 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3f1f h LEU 162 CO -0.06 0.96 0.38 0.58 0.09 0.00 0.00 178.44 180.38 3f1f h VAL 163 N 0.66 1.22 0.00 1.22 2.07 -1.31 -1.55 116.25 118.56 3f1f h VAL 163 Ca 0.12 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3f1f h VAL 163 Cb 0.56 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3f1f h VAL 163 CO 0.03 0.24 -0.02 0.03 0.02 0.00 0.00 177.57 177.87 3f1f h ARG 164 N 0.96 -0.02 -0.73 1.57 -0.00 -0.89 -1.79 114.38 113.47 3f1f h ARG 164 Ca 0.24 0.00 0.14 0.00 -0.50 0.00 0.00 59.98 59.87 3f1f h ARG 164 Cb 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 29.97 29.88 3f1f h ARG 164 CO -0.04 -0.01 -0.20 0.54 0.00 0.00 0.00 179.97 180.26 3f1f n ARG 165 N -2.60 -0.08 0.00 0.04 5.12 0.88 -0.20 116.66 119.81 3f1f n ARG 165 Ca -0.00 1.14 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 3f1f n ARG 165 Cb 0.01 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 3f1f n ARG 165 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1f n ALA 166 N -3.71 -0.15 0.02 7.54 0.00 -0.61 -3.11 120.51 120.49 3f1f n ALA 166 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 3f1f n ALA 166 Cb 0.35 0.08 0.67 0.00 0.00 0.00 0.00 19.45 20.55 3f1f n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f1f h ALA 167 N -1.92 2.41 -0.94 0.00 0.00 -0.56 -3.33 119.26 114.93 3f1f h ALA 167 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3f1f h ALA 167 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 3f1f h ALA 167 CO 0.00 -0.55 -0.44 -0.09 0.00 0.00 0.00 179.25 178.17 3f1f h ARG 168 N 0.03 -0.03 0.00 0.00 2.43 -0.52 -0.09 114.38 116.20 3f1f h ARG 168 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3f1f h ARG 168 Cb 0.87 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3f1f h ARG 168 CO -0.01 -0.02 0.00 -1.71 -1.51 0.00 0.00 179.97 176.72 3f1f n ASN 169 N -5.41 0.00 -4.75 -3.80 2.85 -1.25 -4.78 115.26 98.12 3f1f n ASN 169 Ca 0.07 0.43 -0.41 0.00 -0.11 0.00 0.00 54.58 54.56 3f1f n ASN 169 Cb 0.36 -0.47 -0.03 0.00 1.24 0.00 0.00 39.78 40.88 3f1f n ASN 169 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3f1f s LEU 170 N -2.93 4.44 0.00 1.20 2.96 -0.05 -4.93 118.68 119.37 3f1f s LEU 170 Ca 0.09 2.42 0.22 0.00 -0.22 0.00 0.00 54.13 56.64 3f1f s LEU 170 Cb 0.11 -3.62 1.13 0.00 0.50 0.00 0.00 46.19 44.30 3f1f s LEU 170 CO 0.29 -0.45 1.75 -0.81 -1.32 0.00 0.00 176.35 175.81 3f1f n PRO 171 N 2.00 1.22 -0.09 0.98 -0.04 -1.26 -3.27 135.00 134.54 3f1f n PRO 171 Ca 0.03 -0.33 0.04 0.00 -0.04 0.00 0.00 63.50 63.20 3f1f n PRO 171 Cb 0.43 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3f1f n PRO 171 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3f1f n TRP 172 N -0.49 0.00 -4.22 0.54 4.27 -1.26 -5.03 117.44 111.24 3f1f n TRP 172 Ca 0.16 -0.55 -0.17 0.00 -3.89 0.00 0.00 57.50 53.05 3f1f n TRP 172 Cb 0.15 -0.08 -0.13 0.00 -1.36 0.00 0.00 31.31 29.89 3f1f n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3f1f s VAL 173 N -1.43 0.75 -0.22 -1.67 1.01 -1.20 -0.59 120.40 117.06 3f1f s VAL 173 Ca 0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3f1f s VAL 173 Cb 0.10 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.83 3f1f s VAL 173 CO 0.01 -0.07 -0.02 0.68 0.00 0.00 0.00 175.10 175.71 3f1f s VAL 174 N -0.80 1.12 0.73 2.92 -7.23 -0.66 -4.74 120.40 111.75 3f1f s VAL 174 Ca -0.02 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 3f1f s VAL 174 Cb -0.07 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.42 3f1f s VAL 174 CO 0.01 -0.16 1.09 0.28 -0.31 0.00 0.00 175.10 176.01 3f1f s THR 175 N 1.58 3.41 -0.30 5.32 -1.32 -1.26 -1.79 115.64 121.28 3f1f s THR 175 Ca -0.04 0.50 -0.20 0.00 -1.21 0.00 0.00 61.69 60.74 3f1f s THR 175 Cb -0.18 -3.03 0.19 0.00 -1.51 0.00 0.00 72.50 67.98 3f1f s THR 175 CO -0.07 -0.56 1.32 -0.22 -2.21 0.00 0.00 174.62 172.88 3f1f s LEU 176 N -5.62 -0.10 0.76 9.08 2.96 -0.70 -4.88 118.68 120.18 3f1f s LEU 176 Ca 0.62 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.59 3f1f s LEU 176 Cb -0.17 1.16 0.05 0.00 0.50 0.00 0.00 46.19 47.73 3f1f s LEU 176 CO 0.52 -0.03 1.09 0.00 -1.32 0.00 0.00 176.35 176.61 3f1f s ALA 177 N 0.58 2.45 0.20 5.97 0.00 -1.26 -1.88 121.76 127.82 3f1f s ALA 177 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 3f1f s ALA 177 Cb -0.04 -3.11 0.27 0.00 0.00 0.00 0.00 23.12 20.24 3f1f s ALA 177 CO -0.13 -1.51 1.74 -1.00 0.00 0.00 0.00 175.76 174.86 3f1f h PRO 178 N -0.93 0.37 0.00 0.00 0.13 -1.91 -1.51 132.00 128.15 3f1f h PRO 178 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3f1f h PRO 178 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3f1f h PRO 178 CO 0.59 0.25 0.00 0.93 -0.23 0.00 0.00 178.00 179.54 3f1f h GLU 179 N 0.38 0.00 0.00 0.86 3.07 -1.93 -2.91 114.58 114.05 3f1f h GLU 179 Ca 0.30 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3f1f h GLU 179 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3f1f h GLU 179 CO -0.31 0.00 -0.02 0.78 -1.40 0.00 0.00 179.01 178.06 3f1f h GLY 180 N 2.00 0.00 -4.61 -3.84 0.00 -1.64 -3.46 103.07 91.53 3f1f h GLY 180 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3f1f h GLY 180 CO 0.00 0.00 0.03 1.04 0.00 0.00 0.00 176.54 177.61 3f1f n LEU 181 N -3.12 -0.04 -3.56 3.11 4.77 -1.10 -4.94 117.00 112.11 3f1f n LEU 181 Ca 0.01 0.90 -0.16 0.00 -0.03 0.00 0.00 56.01 56.73 3f1f n LEU 181 Cb 0.37 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 3f1f n LEU 181 CO 0.29 -1.51 0.48 0.54 -1.33 0.00 0.00 177.39 175.87 3f1f s ASN 182 N -0.03 -0.65 0.19 -1.43 2.20 -1.26 -5.07 114.94 108.90 3f1f s ASN 182 Ca 0.70 0.91 -0.12 0.00 -0.94 0.00 0.00 52.86 53.40 3f1f s ASN 182 Cb -0.97 0.80 0.21 0.00 -2.00 0.00 0.00 41.25 39.29 3f1f s ASN 182 CO 0.44 -0.46 1.71 -0.37 -2.94 0.00 0.00 177.10 175.48 3f1f h VAL 183 N 3.28 0.69 -0.27 3.54 -1.51 -1.92 -1.08 116.25 118.98 3f1f h VAL 183 Ca -0.27 -0.08 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 3f1f h VAL 183 Cb 1.15 0.44 -0.08 0.00 -2.13 0.00 0.00 31.29 30.68 3f1f h VAL 183 CO 0.27 0.04 -0.32 0.22 -1.23 0.00 0.00 177.57 176.55 3f1f h TYR 184 N 0.23 -0.88 -0.61 5.19 3.20 -1.94 0.54 116.97 122.69 3f1f h TYR 184 Ca 0.26 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3f1f h TYR 184 Cb 0.37 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3f1f h TYR 184 CO -0.24 -0.38 0.02 -0.44 -1.64 0.00 0.00 178.16 175.48 3f1f h ASP 185 N -0.32 1.03 0.33 -2.11 3.32 -1.85 0.29 116.42 117.12 3f1f h ASP 185 Ca 0.13 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3f1f h ASP 185 Cb 0.53 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3f1f h ASP 185 CO -0.44 1.07 -0.45 0.40 -1.72 0.00 0.00 179.24 178.10 3f1f h ILE 186 N 0.98 0.11 -0.87 0.35 1.08 -0.23 -2.92 117.51 116.01 3f1f h ILE 186 Ca 0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 3f1f h ILE 186 Cb 0.53 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 3f1f h ILE 186 CO 0.03 0.00 0.53 0.58 -0.69 0.00 0.00 178.15 178.60 3f1f h VAL 187 N -0.83 1.24 -0.35 1.67 2.07 0.43 -3.00 116.25 117.48 3f1f h VAL 187 Ca -0.03 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3f1f h VAL 187 Cb 0.76 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3f1f h VAL 187 CO -0.13 0.24 -0.47 0.03 0.02 0.00 0.00 177.57 177.27 3f1f h ARG 188 N 1.19 -0.37 -6.60 1.57 3.08 -0.26 -3.42 114.38 109.56 3f1f h ARG 188 Ca 0.31 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.87 3f1f h ARG 188 Cb -0.06 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3f1f h ARG 188 CO -0.06 -0.25 0.21 0.95 -1.07 0.00 0.00 179.97 179.75 3f1f s THR 189 N -5.80 4.34 -0.06 2.04 -4.23 -1.12 -4.95 115.64 105.86 3f1f s THR 189 Ca -0.15 1.71 0.31 0.00 -1.18 0.00 0.00 61.69 62.38 3f1f s THR 189 Cb 0.10 -4.11 0.35 0.00 1.34 0.00 0.00 72.50 70.18 3f1f s THR 189 CO 0.64 0.44 1.91 -0.33 -0.54 0.00 0.00 174.62 176.74 3f1f h GLU 190 N 4.05 0.00 -3.27 3.99 5.08 -1.71 -3.43 114.58 119.29 3f1f h GLU 190 Ca -0.47 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.56 3f1f h GLU 190 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 3f1f h GLU 190 CO 0.66 0.00 -0.70 0.50 -1.00 0.00 0.00 179.01 178.47 3f1f s ARG 191 N -3.58 -0.03 -0.09 2.33 3.52 0.38 -4.89 118.95 116.58 3f1f s ARG 191 Ca 0.02 0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.89 3f1f s ARG 191 Cb 0.09 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 33.05 3f1f s ARG 191 CO 0.49 -0.29 0.30 -1.17 -0.81 0.00 0.00 175.30 173.82 3f1f s LEU 192 N 1.98 4.36 -0.11 -0.88 0.20 -1.26 -0.95 118.68 122.02 3f1f s LEU 192 Ca 0.02 0.67 -0.06 0.00 0.69 0.00 0.00 54.13 55.44 3f1f s LEU 192 Cb -0.12 -2.39 0.04 0.00 -0.43 0.00 0.00 46.19 43.29 3f1f s LEU 192 CO -0.04 0.24 0.26 -0.69 -0.29 0.00 0.00 176.35 175.84 3f1f s VAL 193 N -0.39 -0.03 0.11 1.68 1.01 -1.13 -2.00 120.40 119.64 3f1f s VAL 193 Ca 0.19 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 3f1f s VAL 193 Cb -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3f1f s VAL 193 CO 0.07 0.05 0.26 0.00 0.00 0.00 0.00 175.10 175.48 3f1f s MET 194 N 1.08 0.94 0.62 2.72 0.23 -0.97 -2.58 119.30 121.35 3f1f s MET 194 Ca -0.08 -0.92 -0.16 0.00 -1.03 0.00 0.00 55.69 53.50 3f1f s MET 194 Cb -0.09 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 3f1f s MET 194 CO -0.07 -0.33 1.11 0.34 -2.03 0.00 0.00 175.02 174.04 3f1f s ASP 195 N -2.86 5.32 0.12 -1.18 -1.08 -0.75 0.19 116.67 116.43 3f1f s ASP 195 Ca 0.06 2.03 -0.16 0.00 -0.52 0.00 0.00 52.55 53.96 3f1f s ASP 195 Cb 0.04 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3f1f s ASP 195 CO -0.10 -1.49 1.58 -0.07 0.52 0.00 0.00 175.17 175.62 3f1f h LEU 196 N 0.36 0.60 -1.44 -1.34 3.38 -1.59 0.19 115.31 115.46 3f1f h LEU 196 Ca -0.48 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.33 3f1f h LEU 196 Cb 1.25 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3f1f h LEU 196 CO 0.55 0.72 0.50 0.44 0.09 0.00 0.00 178.44 180.75 3f1f h ASP 197 N 0.45 0.55 0.52 -0.43 3.32 -1.93 0.34 116.42 119.23 3f1f h ASP 197 Ca 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3f1f h ASP 197 Cb 0.39 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3f1f h ASP 197 CO 0.01 0.31 -0.25 0.00 -1.72 0.00 0.00 179.24 177.59 3f1f h ALA 198 N 1.63 -0.71 -0.96 3.45 0.00 -1.79 -2.31 119.26 118.57 3f1f h ALA 198 Ca 0.36 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.37 3f1f h ALA 198 Cb 0.59 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3f1f h ALA 198 CO -0.13 -0.66 0.65 2.35 0.00 0.00 0.00 179.25 181.46 3f1f h TRP 199 N -1.16 0.40 0.65 0.00 7.01 -0.11 0.11 115.95 122.84 3f1f h TRP 199 Ca -0.07 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 3f1f h TRP 199 Cb 0.53 -0.12 0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3f1f h TRP 199 CO 0.00 0.08 -0.31 1.49 -2.79 0.00 0.00 178.44 176.91 3f1f h GLU 200 N 0.28 -0.84 0.00 2.65 4.81 -0.35 -1.56 114.58 119.57 3f1f h GLU 200 Ca 0.50 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3f1f h GLU 200 Cb 1.48 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.05 3f1f h GLU 200 CO -0.16 -0.52 0.00 1.55 -0.73 0.00 0.00 179.01 179.15 3f1f n VAL 201 N -5.41 0.39 -0.03 0.32 3.14 -0.09 -0.39 118.33 116.26 3f1f n VAL 201 Ca -0.13 0.10 -0.20 0.00 -2.96 0.00 0.00 64.34 61.15 3f1f n VAL 201 Cb 0.37 -0.96 -0.13 0.00 -1.06 0.00 0.00 33.84 32.06 3f1f n VAL 201 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3f1f h PHE 202 N 0.00 0.27 -0.33 1.45 3.57 -0.37 -3.26 116.94 118.27 3f1f h PHE 202 Ca 0.00 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 3f1f h PHE 202 Cb 0.04 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3f1f h PHE 202 CO 0.00 1.40 0.03 1.96 -2.23 0.00 0.00 178.31 179.47 3f1f h GLN 203 N -0.61 0.49 -0.29 1.11 1.08 0.19 -1.19 115.11 115.89 3f1f h GLN 203 Ca -0.23 -0.09 0.07 0.00 -1.45 0.00 0.00 58.65 56.94 3f1f h GLN 203 Cb 1.49 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.76 3f1f h GLN 203 CO -0.00 0.50 -0.28 -0.97 -0.95 0.00 0.00 178.83 177.13 3f1f h ASN 204 N 0.48 -0.91 -0.63 1.46 -0.73 -0.84 -1.86 115.58 112.55 3f1f h ASN 204 Ca 0.11 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.42 3f1f h ASN 204 Cb 0.27 0.42 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 3f1f h ASN 204 CO 0.00 -0.30 0.33 0.03 -0.37 0.00 0.00 177.43 177.12 3f1f h ARG 205 N -0.26 0.89 -2.48 6.67 3.08 -1.44 -3.43 114.38 117.41 3f1f h ARG 205 Ca 0.15 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3f1f h ARG 205 Cb 0.50 -0.17 -0.26 0.00 0.08 0.00 0.00 29.97 30.12 3f1f h ARG 205 CO -0.44 0.69 -0.26 0.96 -1.07 0.00 0.00 179.97 179.84 3f1f s ILE 206 N -5.79 -0.24 0.00 2.04 -4.36 -0.51 -5.09 121.20 107.24 3f1f s ILE 206 Ca -0.13 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.36 3f1f s ILE 206 Cb 0.13 -0.70 0.00 0.00 1.25 0.00 0.00 42.46 43.14 3f1f s ILE 206 CO 0.78 0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.61