#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3f n LYS 2 N 0.00 0.23 -3.35 3.17 -0.00 -1.26 -4.93 118.16 112.02 1s3f n LYS 2 Ca 0.00 0.08 -0.38 0.00 -0.00 0.00 0.00 58.31 58.01 1s3f n LYS 2 Cb 0.00 -1.49 -0.06 0.00 -0.00 0.00 0.00 35.03 33.48 1s3f n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s3f s ALA 3 N -0.19 3.58 0.26 0.58 0.00 -1.26 -4.98 121.76 119.75 1s3f s ALA 3 Ca 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 1s3f s ALA 3 Cb -1.13 -2.57 0.34 0.00 0.00 0.00 0.00 23.12 19.77 1s3f s ALA 3 CO 0.55 0.27 1.78 -0.39 0.00 0.00 0.00 175.76 177.98 1s3f h VAL 4 N 4.03 1.24 -3.98 0.00 -1.51 -2.03 -3.44 116.25 110.56 1s3f h VAL 4 Ca -0.47 -0.93 -0.14 0.00 -1.23 0.00 0.00 66.70 63.93 1s3f h VAL 4 Cb 1.20 0.77 -0.18 0.00 -2.13 0.00 0.00 31.29 30.95 1s3f h VAL 4 CO 0.67 0.34 -0.62 0.68 -1.23 0.00 0.00 177.57 177.41 1s3f s VAL 5 N -5.10 0.15 0.27 7.19 -7.23 -1.26 -5.13 120.40 109.29 1s3f s VAL 5 Ca -0.10 -1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 1s3f s VAL 5 Cb 0.15 -0.86 -0.13 0.00 0.56 0.00 0.00 36.38 36.10 1s3f s VAL 5 CO 0.81 -0.68 1.48 -2.65 -0.31 0.00 0.00 175.10 173.75 1s3f n PRO 6 N 0.85 2.31 0.00 4.82 -0.02 -1.26 -4.89 135.00 136.81 1s3f n PRO 6 Ca -0.19 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1s3f n PRO 6 Cb 0.58 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1s3f n PRO 6 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1s3f n THR 7 N 1.92 0.00 -2.43 3.45 -2.24 -1.19 -4.52 114.28 109.27 1s3f n THR 7 Ca 0.10 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1s3f n THR 7 Cb 0.34 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1s3f n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s3f s GLY 8 N -0.03 1.81 -0.31 3.38 0.00 -0.63 -4.76 107.32 106.78 1s3f s GLY 8 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.27 1s3f s GLY 8 CO 0.00 2.40 -0.01 0.54 0.00 0.00 0.00 173.10 176.03 1s3f s LYS 9 N 3.02 1.96 -0.06 2.90 1.02 -1.26 0.46 119.74 127.79 1s3f s LYS 9 Ca 0.55 -1.57 -0.19 0.00 0.02 0.00 0.00 55.97 54.78 1s3f s LYS 9 Cb -0.23 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1s3f s LYS 9 CO 0.17 -0.75 0.53 0.42 -0.92 0.00 0.00 175.35 174.80 1s3f s ILE 10 N 1.05 5.05 -0.40 2.17 -1.09 -0.13 0.07 121.20 127.93 1s3f s ILE 10 Ca 0.00 1.08 -0.12 0.00 -2.23 0.00 0.00 60.65 59.38 1s3f s ILE 10 Cb -0.20 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1s3f s ILE 10 CO -0.06 0.39 0.25 -0.47 -1.23 0.00 0.00 174.94 173.83 1s3f s TYR 11 N 0.11 3.26 -0.63 3.97 5.04 -0.60 -0.79 117.35 127.71 1s3f s TYR 11 Ca 0.28 -0.99 -0.20 0.00 -2.44 0.00 0.00 57.07 53.72 1s3f s TYR 11 Cb -0.17 -2.63 0.10 0.00 0.35 0.00 0.00 41.96 39.61 1s3f s TYR 11 CO 0.14 -0.69 0.81 -1.17 -1.34 0.00 0.00 175.55 173.30 1s3f s LEU 12 N 1.56 5.09 0.13 6.97 2.96 -0.32 -0.63 118.68 134.45 1s3f s LEU 12 Ca 0.03 -1.35 -0.13 0.00 -0.22 0.00 0.00 54.13 52.45 1s3f s LEU 12 Cb -0.20 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 1s3f s LEU 12 CO 0.07 -1.21 0.51 -0.83 -1.32 0.00 0.00 176.35 173.57 1s3f s GLY 13 N 3.62 2.43 -0.28 7.98 0.00 0.18 -4.36 107.32 116.88 1s3f s GLY 13 Ca 0.16 -0.19 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 1s3f s GLY 13 CO 0.06 0.07 1.36 -0.45 0.00 0.00 0.00 173.10 174.15 1s3f s SER 14 N -1.71 -0.08 0.73 1.64 0.15 -1.26 -1.60 113.70 111.56 1s3f s SER 14 Ca 0.36 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 57.01 1s3f s SER 14 Cb -0.15 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1s3f s SER 14 CO 0.19 -0.05 1.13 -2.84 1.20 0.00 0.00 173.24 172.86 1s3f s PRO 15 N -0.47 2.35 -0.37 5.44 0.02 -1.26 -4.95 135.00 135.76 1s3f s PRO 15 Ca 0.07 1.42 0.12 0.00 0.02 0.00 0.00 61.00 62.63 1s3f s PRO 15 Cb -0.03 -1.89 0.45 0.00 0.02 0.00 0.00 34.50 33.04 1s3f s PRO 15 CO -0.11 -1.61 1.04 0.34 -0.33 0.00 0.00 177.00 176.34 1s3f n PHE 16 N -2.95 2.25 -1.74 6.54 7.35 -1.26 -4.65 117.46 122.99 1s3f n PHE 16 Ca 0.11 -2.86 0.00 0.00 -0.76 0.00 0.00 57.45 53.94 1s3f n PHE 16 Cb 0.52 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1s3f n PHE 16 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1s3f n TYR 17 N -0.32 0.00 0.00 -5.13 4.02 -1.26 -4.86 117.16 109.62 1s3f n TYR 17 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1s3f n TYR 17 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1s3f n TYR 17 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s3f n SER 18 N 0.00 0.00 -0.17 7.72 3.41 -1.26 -3.16 113.62 120.17 1s3f n SER 18 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1s3f n SER 18 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 1s3f n SER 18 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1s3f h ASP 19 N 0.00 0.80 -0.59 4.04 3.32 -2.00 -1.70 116.42 120.29 1s3f h ASP 19 Ca 0.00 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.10 1s3f h ASP 19 Cb 0.00 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.27 1s3f h ASP 19 CO 0.00 0.65 0.14 0.00 -1.72 0.00 0.00 179.24 178.31 1s3f h ALA 20 N 1.48 0.71 -0.04 3.45 0.00 -2.00 -0.86 119.26 122.00 1s3f h ALA 20 Ca 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1s3f h ALA 20 Cb 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1s3f h ALA 20 CO -0.04 -0.29 0.01 1.96 0.00 0.00 0.00 179.25 180.90 1s3f h GLN 21 N 0.28 0.05 0.00 0.00 4.20 -1.43 -1.59 115.11 116.62 1s3f h GLN 21 Ca 0.31 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 1s3f h GLN 21 Cb 0.44 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1s3f h GLN 21 CO -0.38 0.20 -0.17 0.07 -0.67 0.00 0.00 178.83 177.87 1s3f h ARG 22 N -0.10 0.00 -0.10 1.46 0.11 -1.24 -1.79 114.38 112.71 1s3f h ARG 22 Ca 0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.89 1s3f h ARG 22 Cb 0.17 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.26 1s3f h ARG 22 CO -0.00 0.17 -0.73 0.93 0.10 0.00 0.00 179.97 180.45 1s3f h GLU 23 N 0.00 0.68 -0.56 0.08 5.08 -0.92 -1.43 114.58 117.50 1s3f h GLU 23 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1s3f h GLU 23 Cb 0.46 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1s3f h GLU 23 CO 0.02 1.20 0.36 0.00 -1.00 0.00 0.00 179.01 179.59 1s3f h ARG 24 N 0.35 0.76 -0.55 2.33 3.08 -0.91 -0.07 114.38 119.38 1s3f h ARG 24 Ca -0.06 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1s3f h ARG 24 Cb 1.37 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1s3f h ARG 24 CO 0.15 0.53 0.29 0.00 -1.07 0.00 0.00 179.97 179.87 1s3f h ALA 25 N 1.19 0.71 0.10 0.04 0.00 -1.28 0.43 119.26 120.44 1s3f h ALA 25 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1s3f h ALA 25 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1s3f h ALA 25 CO -0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 179.25 178.97 1s3f h ALA 26 N 1.28 -0.33 -0.66 0.00 0.00 -0.43 -1.56 119.26 117.58 1s3f h ALA 26 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s3f h ALA 26 Cb 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1s3f h ALA 26 CO -0.15 -0.72 0.43 -0.22 0.00 0.00 0.00 179.25 178.58 1s3f h LYS 27 N -0.37 0.84 -0.45 0.00 1.63 -0.49 -2.35 116.57 115.37 1s3f h LYS 27 Ca 0.03 -0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1s3f h LYS 27 Cb 0.40 -0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 1s3f h LYS 27 CO -0.12 0.55 0.01 0.00 -3.45 0.00 0.00 179.45 176.44 1s3f h ALA 28 N 1.25 0.42 -0.62 5.00 0.00 0.18 -0.29 119.26 125.21 1s3f h ALA 28 Ca 0.25 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1s3f h ALA 28 Cb -0.07 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1s3f h ALA 28 CO -0.07 -0.38 0.41 0.87 0.00 0.00 0.00 179.25 180.08 1s3f h LYS 29 N 0.12 0.80 -0.17 0.00 1.57 -0.87 -0.11 116.57 117.92 1s3f h LYS 29 Ca 0.22 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1s3f h LYS 29 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1s3f h LYS 29 CO -0.37 0.53 0.05 0.93 -0.57 0.00 0.00 179.45 180.03 1s3f h GLU 30 N 0.83 0.13 -0.32 3.15 5.08 -0.80 0.04 114.58 122.69 1s3f h GLU 30 Ca 0.23 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1s3f h GLU 30 Cb -0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1s3f h GLU 30 CO -0.06 0.09 0.18 -0.07 -1.00 0.00 0.00 179.01 178.15 1s3f h LEU 31 N 0.13 0.39 -1.31 1.33 3.38 -0.80 -2.64 115.31 115.79 1s3f h LEU 31 Ca 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1s3f h LEU 31 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1s3f h LEU 31 CO -0.08 0.36 0.20 -0.07 0.09 0.00 0.00 178.44 178.94 1s3f h LEU 32 N 0.39 0.60 -1.79 1.67 3.38 -0.76 -1.86 115.31 116.94 1s3f h LEU 32 Ca 0.11 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1s3f h LEU 32 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1s3f h LEU 32 CO -0.02 0.54 0.16 0.00 0.09 0.00 0.00 178.44 179.21 1s3f h ALA 33 N 1.55 1.89 -0.19 1.53 0.00 -0.62 -1.74 119.26 121.68 1s3f h ALA 33 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s3f h ALA 33 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s3f h ALA 33 CO -0.02 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1s3f n LYS 34 N -4.50 1.65 -3.28 0.00 5.02 -0.70 -4.82 118.16 111.53 1s3f n LYS 34 Ca 0.01 -0.98 -0.43 0.00 -2.02 0.00 0.00 58.31 54.89 1s3f n LYS 34 Cb 0.11 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1s3f n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s3f s ASN 35 N -1.41 6.23 0.21 4.39 3.84 -0.66 -4.87 114.94 122.67 1s3f s ASN 35 Ca 0.28 -0.53 0.13 0.00 0.21 0.00 0.00 52.86 52.95 1s3f s ASN 35 Cb 0.15 -2.24 0.69 0.00 -0.55 0.00 0.00 41.25 39.29 1s3f s ASN 35 CO 0.22 -0.60 1.35 -2.65 -2.79 0.00 0.00 177.10 172.63 1s3f n PRO 36 N 5.73 0.08 0.00 0.43 -0.02 -1.26 -1.57 135.00 138.39 1s3f n PRO 36 Ca -0.06 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1s3f n PRO 36 Cb 0.48 -1.84 0.22 0.00 -0.02 0.00 0.00 33.50 32.33 1s3f n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s3f n SER 37 N -1.94 0.85 -4.66 2.55 3.41 -1.26 -4.53 113.62 108.05 1s3f n SER 37 Ca -0.01 -0.65 -0.40 0.00 -0.26 0.00 0.00 58.87 57.55 1s3f n SER 37 Cb 0.09 0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1s3f n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s3f s ILE 38 N -2.80 5.07 -0.12 -1.33 1.01 -0.61 -1.60 121.20 120.81 1s3f s ILE 38 Ca 0.15 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 1s3f s ILE 38 Cb 0.18 -3.88 -0.26 0.00 0.01 0.00 0.00 42.46 38.51 1s3f s ILE 38 CO 0.66 0.14 0.36 0.00 0.00 0.00 0.00 174.94 176.10 1s3f n ALA 39 N 4.98 0.89 -3.17 9.38 0.00 0.17 -4.84 120.51 127.93 1s3f n ALA 39 Ca -0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 1s3f n ALA 39 Cb 0.50 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1s3f n ALA 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s3f s HIS 40 N -2.56 -0.25 -0.04 0.00 5.65 -0.94 -5.03 115.29 112.12 1s3f s HIS 40 Ca -0.23 0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.33 1s3f s HIS 40 Cb 0.07 0.20 0.02 0.00 -1.18 0.00 0.00 32.58 31.69 1s3f s HIS 40 CO 0.77 -0.54 -0.02 0.08 -0.65 0.00 0.00 174.74 174.37 1s3f s VAL 41 N -2.29 0.37 -0.16 0.89 1.01 -1.26 -0.95 120.40 118.00 1s3f s VAL 41 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1s3f s VAL 41 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1s3f s VAL 41 CO -0.01 0.20 -0.08 0.12 0.00 0.00 0.00 175.10 175.33 1s3f s PHE 42 N 1.13 2.91 -0.24 5.22 5.36 0.03 -4.98 117.98 127.41 1s3f s PHE 42 Ca -0.08 -0.65 0.02 0.00 -0.96 0.00 0.00 56.93 55.27 1s3f s PHE 42 Cb -0.14 -1.95 0.05 0.00 -0.34 0.00 0.00 43.02 40.64 1s3f s PHE 42 CO -0.01 -0.27 -0.13 0.12 -1.46 0.00 0.00 175.22 173.47 1s3f s PHE 43 N 0.69 3.10 0.52 10.12 5.36 -1.26 -1.17 117.98 135.34 1s3f s PHE 43 Ca -0.04 -2.13 0.33 0.00 -0.96 0.00 0.00 56.93 54.14 1s3f s PHE 43 Cb -0.15 -1.90 1.48 0.00 -0.34 0.00 0.00 43.02 42.11 1s3f s PHE 43 CO 0.02 -0.86 1.81 -1.00 -1.46 0.00 0.00 175.22 173.74 1s3f h PRO 44 N 7.82 0.06 -0.01 10.12 0.13 -1.98 -1.28 132.00 146.86 1s3f h PRO 44 Ca -0.25 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1s3f h PRO 44 Cb 1.07 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1s3f h PRO 44 CO 0.50 0.04 -0.05 1.19 -0.23 0.00 0.00 178.00 179.45 1s3f n PHE 45 N -4.26 0.00 -0.05 1.56 3.72 -1.26 -4.39 117.46 112.77 1s3f n PHE 45 Ca 0.25 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1s3f n PHE 45 Cb 1.16 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 39.60 1s3f n PHE 45 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1s3f h ASP 46 N 1.87 0.42 0.00 4.37 3.32 -1.66 -3.45 116.42 121.28 1s3f h ASP 46 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1s3f h ASP 46 Cb 0.45 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1s3f h ASP 46 CO 0.00 0.84 0.00 0.47 -1.72 0.00 0.00 179.24 178.83 1s3f n ASP 47 N -4.51 0.00 0.00 6.45 8.00 -1.26 -5.15 116.55 120.08 1s3f n ASP 47 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1s3f n ASP 47 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1s3f n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s3f n GLY 48 N 5.00 4.44 3.91 0.44 0.00 -1.26 -5.11 105.19 112.61 1s3f n GLY 48 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1s3f n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s3f s PHE 49 N -1.34 3.47 -0.13 1.61 5.36 -1.26 -5.09 117.98 120.60 1s3f s PHE 49 Ca 0.00 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 1s3f s PHE 49 Cb 0.00 -2.03 0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1s3f s PHE 49 CO 0.00 0.28 -0.12 0.99 -1.46 0.00 0.00 175.22 174.91 1s3f s THR 50 N -1.93 1.37 -0.40 0.12 2.01 -1.26 -5.06 115.64 110.49 1s3f s THR 50 Ca 0.42 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 1s3f s THR 50 Cb -0.11 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1s3f s THR 50 CO 0.28 0.43 0.32 -0.62 -0.69 0.00 0.00 174.62 174.33 1s3f s ASP 51 N 1.56 6.12 0.47 3.53 2.15 -1.26 -4.96 116.67 124.29 1s3f s ASP 51 Ca 0.05 -0.77 0.21 0.00 0.43 0.00 0.00 52.55 52.47 1s3f s ASP 51 Cb -0.13 -2.17 1.23 0.00 -0.30 0.00 0.00 42.92 41.55 1s3f s ASP 51 CO -0.10 -0.44 1.93 -0.65 -0.17 0.00 0.00 175.17 175.74 1s3f h PRO 52 N 8.62 0.22 0.00 4.34 0.11 -2.04 0.42 132.00 143.67 1s3f h PRO 52 Ca -0.28 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1s3f h PRO 52 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s3f h PRO 52 CO 0.73 0.14 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.90 1s3f h ASP 53 N 0.22 0.00 -3.01 -2.05 3.32 -2.07 -3.43 116.42 109.41 1s3f h ASP 53 Ca 0.35 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.84 1s3f h ASP 53 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1s3f h ASP 53 CO -0.07 0.32 0.82 -0.70 -1.72 0.00 0.00 179.24 177.89 1s3f s GLU 54 N -3.57 4.27 -0.06 3.56 2.12 0.14 -5.02 118.70 120.13 1s3f s GLU 54 Ca 0.01 1.56 0.02 0.00 0.36 0.00 0.00 54.97 56.91 1s3f s GLU 54 Cb 0.10 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1s3f s GLU 54 CO 0.67 -0.62 -0.10 -1.59 -0.54 0.00 0.00 175.26 173.09 1s3f s LYS 55 N 3.12 2.66 -1.46 4.30 0.00 -1.26 -4.64 119.74 122.45 1s3f s LYS 55 Ca 0.51 -0.61 -0.10 0.00 0.00 0.00 0.00 55.97 55.78 1s3f s LYS 55 Cb -0.20 -2.51 0.05 0.00 0.00 0.00 0.00 37.83 35.17 1s3f s LYS 55 CO 0.13 0.65 0.81 0.27 0.00 0.00 0.00 175.35 177.21 1s3f n ASN 56 N 2.26 -5.18 -4.69 0.03 0.23 -1.26 -4.91 115.26 101.75 1s3f n ASN 56 Ca -0.18 -0.53 -0.43 0.00 -0.53 0.00 0.00 54.58 52.91 1s3f n ASN 56 Cb 0.53 -4.16 -0.01 0.00 -2.08 0.00 0.00 39.78 34.05 1s3f n ASN 56 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1s3f n PRO 57 N -4.37 2.07 -4.02 -0.53 -0.02 -1.26 -5.01 135.00 121.88 1s3f n PRO 57 Ca -0.01 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1s3f n PRO 57 Cb 0.56 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1s3f n PRO 57 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s3f s GLU 58 N -1.39 0.40 0.19 -0.52 2.02 -1.26 -5.10 118.70 113.04 1s3f s GLU 58 Ca 0.60 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 1s3f s GLU 58 Cb -0.60 -0.07 -0.08 0.00 0.10 0.00 0.00 34.13 33.48 1s3f s GLU 58 CO 0.58 -0.00 1.19 0.42 0.02 0.00 0.00 175.26 177.47 1s3f s ILE 59 N -1.37 3.57 0.00 -1.63 -1.09 -1.26 -2.29 121.20 117.13 1s3f s ILE 59 Ca -0.13 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 1s3f s ILE 59 Cb -0.10 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1s3f s ILE 59 CO -0.00 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 1s3f n GLY 60 N 2.16 2.31 3.99 6.18 0.00 -1.26 -5.01 105.19 113.55 1s3f n GLY 60 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1s3f n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s3f s GLY 61 N -2.00 1.79 0.13 -0.02 0.00 -0.97 -5.02 107.32 101.23 1s3f s GLY 61 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 42.84 1s3f s GLY 61 CO 0.00 -1.14 1.70 -0.42 0.00 0.00 0.00 173.10 173.24 1s3f s ILE 62 N -2.93 2.64 0.20 0.90 -1.09 -1.26 -4.89 121.20 114.77 1s3f s ILE 62 Ca 0.62 0.27 0.09 0.00 -2.23 0.00 0.00 60.65 59.40 1s3f s ILE 62 Cb -0.08 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1s3f s ILE 62 CO 0.41 0.01 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.93 1s3f s ARG 63 N 2.15 2.13 0.64 2.79 1.81 -1.26 -4.79 118.95 122.41 1s3f s ARG 63 Ca 0.75 -1.30 -0.16 0.00 -1.72 0.00 0.00 55.73 53.30 1s3f s ARG 63 Cb -0.44 -2.16 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 1s3f s ARG 63 CO 0.33 0.42 1.13 -1.54 -0.68 0.00 0.00 175.30 174.96 1s3f s SER 64 N -3.06 5.13 0.31 0.23 1.04 -1.26 -4.86 113.70 111.24 1s3f s SER 64 Ca 0.27 2.10 0.02 0.00 0.48 0.00 0.00 55.95 58.82 1s3f s SER 64 Cb -0.08 -2.56 0.51 0.00 0.10 0.00 0.00 66.02 63.98 1s3f s SER 64 CO 0.17 -1.62 1.84 -0.03 0.98 0.00 0.00 173.24 174.58 1s3f h MET 65 N 0.29 0.63 -0.46 4.02 4.05 -1.99 -0.77 114.93 120.70 1s3f h MET 65 Ca -0.48 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 58.78 1s3f h MET 65 Cb 1.26 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1s3f h MET 65 CO 0.54 0.64 0.20 0.28 0.23 0.00 0.00 176.91 178.80 1s3f h VAL 66 N 0.60 1.20 -0.47 -5.77 2.07 -1.99 0.14 116.25 112.02 1s3f h VAL 66 Ca 0.13 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1s3f h VAL 66 Cb 0.35 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1s3f h VAL 66 CO 0.01 0.22 0.10 -0.25 0.02 0.00 0.00 177.57 177.67 1s3f h TRP 67 N 0.59 0.81 -0.18 1.57 7.01 -1.84 -1.78 115.95 122.15 1s3f h TRP 67 Ca 0.15 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1s3f h TRP 67 Cb 0.17 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1s3f h TRP 67 CO -0.00 0.75 0.08 0.00 -2.79 0.00 0.00 178.44 176.48 1s3f h ARG 68 N 0.65 0.18 -0.18 2.65 3.08 -0.84 -1.23 114.38 118.68 1s3f h ARG 68 Ca 0.15 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1s3f h ARG 68 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1s3f h ARG 68 CO 0.01 0.12 0.10 -0.44 -1.07 0.00 0.00 179.97 178.68 1s3f h ASP 69 N 0.18 0.22 -0.69 7.04 3.32 -0.59 -0.71 116.42 125.19 1s3f h ASP 69 Ca 0.07 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1s3f h ASP 69 Cb 0.02 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1s3f h ASP 69 CO -0.05 0.24 0.44 0.00 -1.72 0.00 0.00 179.24 178.15 1s3f h ALA 70 N 0.99 0.90 -0.19 3.45 0.00 -1.23 0.10 119.26 123.29 1s3f h ALA 70 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1s3f h ALA 70 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1s3f h ALA 70 CO -0.01 0.23 -0.28 1.15 0.00 0.00 0.00 179.25 180.34 1s3f h THR 71 N 0.87 1.34 -0.32 0.00 2.02 -1.08 -0.01 112.91 115.73 1s3f h THR 71 Ca 0.27 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1s3f h THR 71 Cb -0.01 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1s3f h THR 71 CO -0.09 0.46 0.20 0.22 0.37 0.00 0.00 175.52 176.67 1s3f h TYR 72 N 0.19 0.41 -0.25 3.16 3.20 -0.93 -2.23 116.97 120.52 1s3f h TYR 72 Ca 0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1s3f h TYR 72 Cb 0.86 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1s3f h TYR 72 CO 0.09 0.28 -0.09 0.37 -1.64 0.00 0.00 178.16 177.18 1s3f h GLN 73 N 0.41 0.40 -0.75 1.82 5.75 -0.71 -1.33 115.11 120.70 1s3f h GLN 73 Ca 0.11 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1s3f h GLN 73 Cb -0.01 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1s3f h GLN 73 CO -0.02 0.49 0.37 -0.91 -2.65 0.00 0.00 178.83 176.11 1s3f h ASN 74 N 0.38 0.96 -0.38 -0.69 2.35 -0.42 0.26 115.58 118.03 1s3f h ASN 74 Ca 0.08 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.56 1s3f h ASN 74 Cb 0.39 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1s3f h ASN 74 CO 0.02 0.81 -0.39 0.44 -1.65 0.00 0.00 177.43 176.66 1s3f h ASP 75 N 1.06 1.00 -0.36 5.81 3.32 -0.79 -1.83 116.42 124.64 1s3f h ASP 75 Ca 0.26 -0.47 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1s3f h ASP 75 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1s3f h ASP 75 CO -0.03 1.27 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.51 1s3f h LEU 76 N 0.75 0.83 -0.79 1.55 3.38 -0.84 -1.72 115.31 118.47 1s3f h LEU 76 Ca 0.06 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1s3f h LEU 76 Cb 0.99 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1s3f h LEU 76 CO 0.10 1.00 0.52 0.74 0.09 0.00 0.00 178.44 180.88 1s3f h THR 77 N 0.73 1.18 -0.77 0.22 2.02 -0.42 0.91 112.91 116.79 1s3f h THR 77 Ca 0.11 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1s3f h THR 77 Cb 0.68 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1s3f h THR 77 CO 0.05 0.19 0.42 1.23 0.37 0.00 0.00 175.52 177.78 1s3f h GLY 78 N 1.04 1.15 1.09 2.16 0.00 -0.89 -0.26 103.07 107.35 1s3f h GLY 78 Ca 0.30 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1s3f h GLY 78 CO -0.08 0.50 0.04 -2.22 0.00 0.00 0.00 176.54 174.78 1s3f h ILE 79 N 1.06 1.27 -0.52 2.60 2.04 -0.55 -0.91 117.51 122.50 1s3f h ILE 79 Ca 0.27 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1s3f h ILE 79 Cb 0.04 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1s3f h ILE 79 CO -0.04 0.41 0.21 -1.28 0.00 0.00 0.00 178.15 177.45 1s3f h SER 80 N 1.01 0.72 0.72 1.72 0.87 -0.32 -2.85 113.55 115.41 1s3f h SER 80 Ca 0.19 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1s3f h SER 80 Cb 0.52 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1s3f h SER 80 CO 0.02 0.69 -0.49 0.78 -0.53 0.00 0.00 176.83 177.31 1s3f h ASN 81 N 0.70 0.00 -4.04 6.23 2.35 -0.90 -3.45 115.58 116.47 1s3f h ASN 81 Ca 0.17 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.41 1s3f h ASN 81 Cb 0.20 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.64 1s3f h ASN 81 CO -0.01 0.49 0.47 0.00 -1.65 0.00 0.00 177.43 176.73 1s3f s ALA 82 N -3.63 2.84 -0.24 -0.83 0.00 -0.36 -4.87 121.76 114.67 1s3f s ALA 82 Ca -0.01 0.93 0.22 0.00 0.00 0.00 0.00 51.96 53.10 1s3f s ALA 82 Cb 0.12 -3.39 -0.22 0.00 0.00 0.00 0.00 23.12 19.62 1s3f s ALA 82 CO 0.72 -0.77 0.69 0.25 0.00 0.00 0.00 175.76 176.65 1s3f n THR 83 N -0.86 0.12 -3.44 0.00 -2.24 0.11 -4.97 114.28 103.00 1s3f n THR 83 Ca 0.09 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1s3f n THR 83 Cb 0.49 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1s3f n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3f s GLY 85 N -2.61 1.68 -0.18 0.00 0.00 -0.33 -1.56 107.32 104.31 1s3f s GLY 85 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1s3f s GLY 85 CO -0.11 -0.89 -0.09 0.14 0.00 0.00 0.00 173.10 172.15 1s3f s VAL 86 N -0.93 1.48 -0.20 1.40 1.01 0.20 0.79 120.40 124.15 1s3f s VAL 86 Ca 0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1s3f s VAL 86 Cb -0.11 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1s3f s VAL 86 CO 0.06 0.19 -0.08 -0.36 0.00 0.00 0.00 175.10 174.91 1s3f s PHE 87 N 1.47 2.92 -1.04 5.22 0.08 -0.34 -0.65 117.98 125.65 1s3f s PHE 87 Ca -0.00 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 55.87 1s3f s PHE 87 Cb -0.16 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.34 1s3f s PHE 87 CO -0.08 -0.52 1.38 -0.51 -0.10 0.00 0.00 175.22 175.39 1s3f s LEU 88 N 1.26 4.11 -0.42 -0.37 1.02 -0.63 -0.54 118.68 123.12 1s3f s LEU 88 Ca 0.03 -1.85 -0.23 0.00 0.02 0.00 0.00 54.13 52.10 1s3f s LEU 88 Cb -0.14 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 43.58 1s3f s LEU 88 CO -0.03 -1.28 0.80 -0.47 0.02 0.00 0.00 176.35 175.38 1s3f s TYR 89 N 3.97 3.03 -0.47 0.29 5.04 -0.12 -4.33 117.35 124.76 1s3f s TYR 89 Ca 0.43 0.33 -0.29 0.00 -2.44 0.00 0.00 57.07 55.10 1s3f s TYR 89 Cb -0.01 -3.60 0.02 0.00 0.35 0.00 0.00 41.96 38.72 1s3f s TYR 89 CO -0.07 -0.90 1.31 0.34 -1.34 0.00 0.00 175.55 174.88 1s3f s ASP 90 N 2.04 6.40 0.00 4.32 -1.08 -1.26 -0.62 116.67 126.47 1s3f s ASP 90 Ca 0.31 0.56 0.26 0.00 -0.52 0.00 0.00 52.55 53.16 1s3f s ASP 90 Cb -0.12 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 39.93 1s3f s ASP 90 CO 0.21 -1.43 1.85 0.23 0.52 0.00 0.00 175.17 176.55 1s3f n MET 91 N 8.14 0.01 0.01 4.34 2.81 0.59 -3.67 117.12 129.34 1s3f n MET 91 Ca 0.14 0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.87 1s3f n MET 91 Cb 0.49 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.36 1s3f n MET 91 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1s3f h ASP 92 N 0.00 0.40 -3.34 7.83 3.45 -1.90 -3.43 116.42 119.42 1s3f h ASP 92 Ca 0.00 -0.87 -0.60 0.00 0.43 0.00 0.00 57.03 55.99 1s3f h ASP 92 Cb 0.45 -0.13 -0.40 0.00 -0.56 0.00 0.00 39.33 38.69 1s3f h ASP 92 CO 0.00 1.78 -0.74 -1.58 -1.57 0.00 0.00 179.24 177.12 1s3f s GLN 93 N -2.56 0.99 0.24 3.56 2.00 -1.24 -5.10 119.66 117.55 1s3f s GLN 93 Ca -0.20 -1.46 -0.31 0.00 -2.00 0.00 0.00 55.36 51.38 1s3f s GLN 93 Cb 0.07 -2.28 -0.12 0.00 0.80 0.00 0.00 33.01 31.48 1s3f s GLN 93 CO 0.78 -1.03 1.62 1.28 -0.50 0.00 0.00 175.29 177.45 1s3f n LEU 94 N 4.39 3.97 -4.33 3.68 4.77 -1.25 -4.71 117.00 123.52 1s3f n LEU 94 Ca 0.02 1.11 -0.39 0.00 -0.03 0.00 0.00 56.01 56.72 1s3f n LEU 94 Cb 0.40 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.82 1s3f n LEU 94 CO 0.17 0.05 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.45 1s3f s ASP 95 N 0.77 5.49 0.53 -1.43 2.15 -1.26 -4.98 116.67 117.94 1s3f s ASP 95 Ca 0.70 -1.03 0.28 0.00 0.43 0.00 0.00 52.55 52.93 1s3f s ASP 95 Cb -0.53 -1.94 1.50 0.00 -0.30 0.00 0.00 42.92 41.64 1s3f s ASP 95 CO 0.42 -0.34 2.09 -2.24 -0.17 0.00 0.00 175.17 174.93 1s3f h ASP 96 N 8.32 0.00 -0.49 -0.34 2.03 -1.99 -2.45 116.42 121.50 1s3f h ASP 96 Ca -0.25 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.96 1s3f h ASP 96 Cb 1.10 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 1s3f h ASP 96 CO 0.63 0.10 -0.03 1.23 -1.03 0.00 0.00 179.24 180.15 1s3f h GLY 97 N 0.79 0.95 0.96 7.15 0.00 -1.99 0.65 103.07 111.59 1s3f h GLY 97 Ca -0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 1s3f h GLY 97 CO 0.01 0.66 -0.18 1.76 0.00 0.00 0.00 176.54 178.80 1s3f h SER 98 N 0.74 0.73 -0.85 0.19 0.02 -1.87 -2.11 113.55 110.40 1s3f h SER 98 Ca 0.13 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1s3f h SER 98 Cb 0.55 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1s3f h SER 98 CO 0.03 0.99 0.41 0.00 -1.14 0.00 0.00 176.83 177.11 1s3f h ALA 99 N 0.77 1.10 -0.66 3.77 0.00 -1.30 -0.05 119.26 122.88 1s3f h ALA 99 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s3f h ALA 99 Cb 0.72 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s3f h ALA 99 CO 0.05 0.67 0.43 0.35 0.00 0.00 0.00 179.25 180.74 1s3f h PHE 100 N 1.22 0.84 -0.24 0.00 3.57 -0.75 -1.60 116.94 119.97 1s3f h PHE 100 Ca 0.29 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 1s3f h PHE 100 Cb 0.12 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1s3f h PHE 100 CO 0.02 0.54 -0.33 0.93 -2.23 0.00 0.00 178.31 177.23 1s3f h GLU 101 N 0.89 0.51 -0.21 1.11 5.08 -0.75 -0.99 114.58 120.23 1s3f h GLU 101 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1s3f h GLU 101 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1s3f h GLU 101 CO -0.05 0.78 0.05 0.82 -1.00 0.00 0.00 179.01 179.61 1s3f h ILE 102 N 0.44 1.21 -0.72 3.13 2.04 -0.59 -1.25 117.51 121.77 1s3f h ILE 102 Ca 0.05 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1s3f h ILE 102 Cb 0.79 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1s3f h ILE 102 CO 0.06 0.21 0.41 1.23 0.00 0.00 0.00 178.15 180.06 1s3f h GLY 103 N 0.16 1.06 1.00 5.37 0.00 -1.11 -0.82 103.07 108.73 1s3f h GLY 103 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1s3f h GLY 103 CO 0.00 0.45 0.25 -2.75 0.00 0.00 0.00 176.54 174.50 1s3f h PHE 104 N 0.99 0.48 -0.67 5.60 3.57 -1.02 -1.20 116.94 124.69 1s3f h PHE 104 Ca 0.25 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1s3f h PHE 104 Cb 0.02 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1s3f h PHE 104 CO -0.01 0.30 0.13 0.52 -2.23 0.00 0.00 178.31 177.03 1s3f h MET 105 N 0.52 1.09 -0.28 1.11 2.86 -0.95 -2.58 114.93 116.70 1s3f h MET 105 Ca 0.14 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1s3f h MET 105 Cb -0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1s3f h MET 105 CO -0.03 0.98 -0.28 0.00 1.06 0.00 0.00 176.91 178.64 1s3f h ARG 106 N 1.02 0.56 -0.26 1.72 2.47 -0.84 -0.84 114.38 118.22 1s3f h ARG 106 Ca 0.21 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1s3f h ARG 106 Cb 0.40 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1s3f h ARG 106 CO 0.01 0.78 0.05 0.00 0.56 0.00 0.00 179.97 181.37 1s3f h ALA 107 N 1.21 1.61 -0.08 0.04 0.00 -1.00 0.14 119.26 121.18 1s3f h ALA 107 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s3f h ALA 107 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s3f h ALA 107 CO 0.06 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1s3f n MET 108 N -4.38 1.31 -1.40 0.00 2.81 -0.76 -4.89 117.12 109.80 1s3f n MET 108 Ca 0.01 -0.47 -0.14 0.00 -1.81 0.00 0.00 57.70 55.29 1s3f n MET 108 Cb 0.17 -1.29 -0.06 0.00 -0.71 0.00 0.00 33.22 31.33 1s3f n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s3f n HIS 109 N -0.28 0.00 -3.10 2.03 -0.00 0.48 -5.01 115.22 109.34 1s3f n HIS 109 Ca 0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.50 1s3f n HIS 109 Cb 0.16 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.60 1s3f n HIS 109 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1s3f s LYS 110 N -3.14 4.17 0.45 -0.41 1.02 -0.39 -4.99 119.74 116.45 1s3f s LYS 110 Ca 0.00 0.81 -0.23 0.00 0.02 0.00 0.00 55.97 56.57 1s3f s LYS 110 Cb 0.00 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 1s3f s LYS 110 CO 0.00 0.30 1.15 -1.25 -0.92 0.00 0.00 175.35 174.63 1s3f s PRO 111 N -2.35 3.80 -0.11 -1.68 0.04 -1.26 -4.33 135.00 129.10 1s3f s PRO 111 Ca 0.47 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1s3f s PRO 111 Cb -0.14 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.01 1s3f s PRO 111 CO 0.20 -0.51 -0.09 0.08 0.04 0.00 0.00 177.00 176.72 1s3f s VAL 112 N -1.57 1.09 -0.32 -0.36 1.01 -1.26 -1.19 120.40 117.80 1s3f s VAL 112 Ca 0.63 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 1s3f s VAL 112 Cb -0.28 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1s3f s VAL 112 CO 0.34 0.38 0.38 -0.63 0.00 0.00 0.00 175.10 175.56 1s3f s ILE 113 N 1.59 5.15 -0.09 2.22 -1.09 0.24 -2.06 121.20 127.16 1s3f s ILE 113 Ca 0.03 0.25 -0.14 0.00 -2.23 0.00 0.00 60.65 58.56 1s3f s ILE 113 Cb -0.13 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1s3f s ILE 113 CO -0.07 -0.02 0.34 -0.22 -1.23 0.00 0.00 174.94 173.73 1s3f s LEU 114 N 2.08 4.36 -0.49 2.97 2.96 0.13 -1.19 118.68 129.49 1s3f s LEU 114 Ca 0.13 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 1s3f s LEU 114 Cb -0.16 -2.45 0.15 0.00 0.50 0.00 0.00 46.19 44.22 1s3f s LEU 114 CO 0.11 0.22 0.30 -0.69 -1.32 0.00 0.00 176.35 174.97 1s3f s VAL 115 N -0.32 1.59 0.43 1.68 1.01 0.30 -0.93 120.40 124.15 1s3f s VAL 115 Ca 0.20 -2.91 -0.23 0.00 0.00 0.00 0.00 61.98 59.04 1s3f s VAL 115 Cb -0.15 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 1s3f s VAL 115 CO 0.08 -0.95 1.08 -2.16 0.00 0.00 0.00 175.10 173.15 1s3f s PRO 116 N -0.03 4.01 -0.01 2.72 0.04 -1.26 -0.94 135.00 139.53 1s3f s PRO 116 Ca 0.21 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1s3f s PRO 116 Cb -0.17 -2.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.91 1s3f s PRO 116 CO -0.05 -0.29 -0.07 -0.06 0.04 0.00 0.00 177.00 176.57 1s3f s PHE 117 N -1.66 0.72 -0.07 0.56 0.08 0.21 -1.28 117.98 116.54 1s3f s PHE 117 Ca 0.60 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.46 1s3f s PHE 117 Cb -0.23 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.76 1s3f s PHE 117 CO 0.29 -0.04 0.17 0.99 -0.10 0.00 0.00 175.22 176.52 1s3f s THR 118 N -0.03 -0.02 -1.87 0.64 2.01 -1.26 -0.30 115.64 114.81 1s3f s THR 118 Ca 0.01 0.07 0.28 0.00 0.31 0.00 0.00 61.69 62.35 1s3f s THR 118 Cb -0.05 -0.25 0.43 0.00 0.01 0.00 0.00 72.50 72.64 1s3f s THR 118 CO -0.00 0.03 1.75 -1.84 -0.69 0.00 0.00 174.62 173.87 1s3f n GLU 119 N 3.47 0.94 -3.53 4.92 0.00 -1.26 -4.35 120.64 120.84 1s3f n GLU 119 Ca -0.18 -0.45 -0.27 0.00 0.00 0.00 0.00 57.16 56.26 1s3f n GLU 119 Cb 0.56 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 30.42 1s3f n GLU 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1s3f n HIS 120 N -0.63 2.30 0.16 -1.84 8.25 -1.26 -4.94 115.22 117.26 1s3f n HIS 120 Ca 0.15 -4.00 0.09 0.00 -0.26 0.00 0.00 57.72 53.70 1s3f n HIS 120 Cb 0.31 -0.44 0.49 0.00 1.12 0.00 0.00 29.99 31.46 1s3f n HIS 120 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1s3f n PRO 121 N 1.52 0.12 0.01 -0.41 -0.02 -1.26 -1.85 135.00 133.11 1s3f n PRO 121 Ca 0.25 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 62.32 1s3f n PRO 121 Cb 0.42 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1s3f n PRO 121 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1s3f n GLU 122 N -2.16 0.63 -0.72 -0.52 0.00 -1.26 -4.94 120.64 111.66 1s3f n GLU 122 Ca -0.01 0.20 -0.29 0.00 0.00 0.00 0.00 57.16 57.06 1s3f n GLU 122 Cb 0.15 -1.77 0.20 0.00 0.00 0.00 0.00 31.44 30.02 1s3f n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1s3f s LYS 123 N -2.84 0.06 0.43 3.44 1.02 -0.77 -4.92 119.74 116.17 1s3f s LYS 123 Ca -0.04 1.04 -0.25 0.00 0.02 0.00 0.00 55.97 56.74 1s3f s LYS 123 Cb 0.08 -1.65 -0.09 0.00 -0.52 0.00 0.00 37.83 35.65 1s3f s LYS 123 CO 0.82 -3.12 1.20 -0.85 -0.92 0.00 0.00 175.35 172.47 1s3f n GLU 124 N -4.52 1.72 -3.23 1.68 0.28 -1.26 -4.96 120.64 110.35 1s3f n GLU 124 Ca 0.06 0.61 -0.45 0.00 -0.16 0.00 0.00 57.16 57.23 1s3f n GLU 124 Cb 0.54 -2.29 -0.05 0.00 1.43 0.00 0.00 31.44 31.06 1s3f n GLU 124 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s3f s LYS 125 N -2.22 3.02 0.04 3.44 1.02 -1.26 -5.03 119.74 118.75 1s3f s LYS 125 Ca 0.63 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1s3f s LYS 125 Cb -0.51 -4.24 -0.02 0.00 -0.52 0.00 0.00 37.83 32.54 1s3f s LYS 125 CO 0.57 -1.35 -0.11 -1.59 -0.92 0.00 0.00 175.35 171.94 1s3f s LYS 126 N 2.12 0.73 -0.01 1.68 -2.85 -1.26 0.09 119.74 120.23 1s3f s LYS 126 Ca 0.08 -0.70 -0.05 0.00 -1.00 0.00 0.00 55.97 54.29 1s3f s LYS 126 Cb -0.26 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.85 1s3f s LYS 126 CO 0.06 0.16 0.11 1.41 0.10 0.00 0.00 175.35 177.18 1s3f s MET 127 N -1.21 0.33 0.32 1.78 1.75 -0.09 -4.86 119.30 117.33 1s3f s MET 127 Ca -0.02 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 53.92 1s3f s MET 127 Cb -0.08 0.14 -0.10 0.00 2.84 0.00 0.00 34.83 37.63 1s3f s MET 127 CO 0.01 -0.07 1.32 1.21 -0.65 0.00 0.00 175.02 176.84 1s3f s ASN 128 N -0.83 6.76 0.23 1.11 2.47 -1.26 -2.56 114.94 120.86 1s3f s ASN 128 Ca -0.09 2.69 -0.07 0.00 0.42 0.00 0.00 52.86 55.81 1s3f s ASN 128 Cb -0.05 -2.65 0.41 0.00 -1.45 0.00 0.00 41.25 37.51 1s3f s ASN 128 CO 0.01 -0.55 1.68 0.25 -3.72 0.00 0.00 177.10 174.77 1s3f h LEU 129 N 3.52 -0.04 -0.95 3.21 5.85 -1.65 0.30 115.31 125.56 1s3f h LEU 129 Ca -0.49 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1s3f h LEU 129 Cb 1.23 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1s3f h LEU 129 CO 0.66 -0.04 0.27 0.24 -0.34 0.00 0.00 178.44 179.23 1s3f h MET 130 N 0.24 1.03 -0.05 1.25 2.86 -1.91 0.80 114.93 119.15 1s3f h MET 130 Ca 0.38 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.72 1s3f h MET 130 Cb 0.64 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.14 1s3f h MET 130 CO -0.50 0.84 -0.47 0.82 1.06 0.00 0.00 176.91 178.66 1s3f h ILE 131 N 1.00 1.42 -0.38 -1.22 1.08 -1.76 0.24 117.51 117.90 1s3f h ILE 131 Ca 0.23 -1.90 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1s3f h ILE 131 Cb 0.21 2.42 -0.02 0.00 -3.07 0.00 0.00 36.82 36.36 1s3f h ILE 131 CO -0.02 0.55 0.21 0.00 -0.69 0.00 0.00 178.15 178.21 1s3f h ALA 132 N 0.39 1.67 0.00 1.87 0.00 -0.68 -2.25 119.26 120.26 1s3f h ALA 132 Ca -0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1s3f h ALA 132 Cb 1.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1s3f h ALA 132 CO 0.10 0.29 -2.11 0.94 0.00 0.00 0.00 179.25 178.46 1s3f n GLN 133 N -4.44 0.67 -0.05 0.00 -0.06 0.25 -4.38 117.38 109.36 1s3f n GLN 133 Ca 0.03 -0.14 -0.15 0.00 -2.00 0.00 0.00 57.00 54.73 1s3f n GLN 133 Cb 0.09 -1.52 -0.07 0.00 -4.06 0.00 0.00 30.24 24.68 1s3f n GLN 133 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1s3f h GLY 134 N 3.98 0.61 -2.36 1.69 0.00 -0.31 -3.45 103.07 103.24 1s3f h GLY 134 Ca -0.16 -0.76 -0.51 0.00 0.00 0.00 0.00 47.33 45.90 1s3f h GLY 134 CO 0.01 0.68 0.46 -1.34 0.00 0.00 0.00 176.54 176.35 1s3f s VAL 135 N -3.95 3.03 -0.14 4.60 -7.23 -0.86 -4.84 120.40 111.01 1s3f s VAL 135 Ca -0.13 0.70 0.19 0.00 -1.81 0.00 0.00 61.98 60.93 1s3f s VAL 135 Cb 0.06 -3.31 -0.27 0.00 0.56 0.00 0.00 36.38 33.42 1s3f s VAL 135 CO 0.82 -0.09 0.21 0.35 -0.31 0.00 0.00 175.10 176.08 1s3f n THR 136 N -1.01 0.87 -3.77 5.32 -2.24 -0.88 -4.78 114.28 107.80 1s3f n THR 136 Ca 0.10 -0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 1s3f n THR 136 Cb 0.49 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 1s3f n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s3f s THR 137 N -2.82 -0.06 -0.05 4.28 2.01 -0.99 -0.51 115.64 117.50 1s3f s THR 137 Ca -0.09 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1s3f s THR 137 Cb 0.09 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.47 1s3f s THR 137 CO 0.83 0.09 -0.14 -0.51 -0.69 0.00 0.00 174.62 174.20 1s3f s ILE 138 N 1.11 3.07 -0.16 1.82 2.07 -0.77 0.18 121.20 128.51 1s3f s ILE 138 Ca -0.09 -0.72 -0.04 0.00 -1.41 0.00 0.00 60.65 58.39 1s3f s ILE 138 Cb -0.13 -2.20 0.06 0.00 0.13 0.00 0.00 42.46 40.32 1s3f s ILE 138 CO -0.03 0.59 0.06 -0.63 -1.91 0.00 0.00 174.94 173.02 1s3f s ILE 139 N -0.73 0.15 0.14 2.00 1.01 -0.11 -4.93 121.20 118.74 1s3f s ILE 139 Ca 0.11 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.21 1s3f s ILE 139 Cb -0.11 -0.70 -0.10 0.00 0.01 0.00 0.00 42.46 41.56 1s3f s ILE 139 CO 0.01 -0.19 1.75 -0.62 0.00 0.00 0.00 174.94 175.89 1s3f s ASP 140 N 2.03 6.45 0.20 3.58 -1.08 -1.26 -3.98 116.67 122.62 1s3f s ASP 140 Ca 0.01 2.74 0.03 0.00 -0.52 0.00 0.00 52.55 54.81 1s3f s ASP 140 Cb -0.16 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 38.86 1s3f s ASP 140 CO -0.08 -0.96 1.48 1.23 0.52 0.00 0.00 175.17 177.36 1s3f h GLY 141 N 7.96 0.28 2.00 2.66 0.00 -1.44 0.27 103.07 114.80 1s3f h GLY 141 Ca -0.44 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1s3f h GLY 141 CO 0.94 0.35 -0.20 3.43 0.00 0.00 0.00 176.54 181.06 1s3f h ASN 142 N 0.17 0.00 0.00 0.19 2.35 -1.90 -3.22 115.58 113.17 1s3f h ASN 142 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1s3f h ASN 142 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1s3f h ASN 142 CO 0.11 0.20 0.00 0.35 -1.65 0.00 0.00 177.43 176.44 1s3f n THR 143 N -3.42 0.00 -0.73 2.81 -2.24 -1.22 -4.86 114.28 104.62 1s3f n THR 143 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1s3f n THR 143 Cb 0.39 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1s3f n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s3f n GLU 144 N -0.12 0.96 -0.36 -0.78 1.02 0.89 -4.86 120.64 117.39 1s3f n GLU 144 Ca 0.00 -0.87 0.03 0.00 -0.02 0.00 0.00 57.16 56.30 1s3f n GLU 144 Cb 0.08 -0.67 0.10 0.00 -0.02 0.00 0.00 31.44 30.92 1s3f n GLU 144 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s3f n PHE 145 N -0.18 0.23 0.24 -0.32 -0.00 -0.73 -0.80 117.46 115.90 1s3f n PHE 145 Ca 0.00 1.19 0.17 0.00 -0.00 0.00 0.00 57.45 58.81 1s3f n PHE 145 Cb 0.43 -0.99 0.74 0.00 -0.00 0.00 0.00 39.48 39.66 1s3f n PHE 145 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1s3f h GLU 146 N 0.00 0.00 0.00 -4.13 5.08 -1.89 -2.16 114.58 111.48 1s3f h GLU 146 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1s3f h GLU 146 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1s3f h GLU 146 CO -0.99 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 177.38 1s3f n LYS 147 N -3.16 0.54 0.28 2.33 2.85 0.02 -2.14 118.16 118.88 1s3f n LYS 147 Ca 0.02 0.03 0.16 0.00 -1.05 0.00 0.00 58.31 57.47 1s3f n LYS 147 Cb 0.52 -1.50 0.77 0.00 -0.65 0.00 0.00 35.03 34.16 1s3f n LYS 147 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1s3f h LEU 148 N 0.00 0.00 -0.80 -5.58 3.38 -1.59 0.22 115.31 110.94 1s3f h LEU 148 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1s3f h LEU 148 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1s3f h LEU 148 CO 0.00 0.07 -0.14 0.00 0.09 0.00 0.00 178.44 178.46 1s3f h ALA 149 N 1.93 0.97 0.00 1.53 0.00 -1.56 -3.35 119.26 118.77 1s3f h ALA 149 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s3f h ALA 149 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s3f h ALA 149 CO 0.01 0.17 -1.07 -0.25 0.00 0.00 0.00 179.25 178.11 1s3f n ASP 150 N -3.21 4.36 -4.56 0.00 8.00 -0.61 -3.68 116.55 116.85 1s3f n ASP 150 Ca 0.01 -0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.05 1s3f n ASP 150 Cb 0.46 1.10 -0.01 0.00 -0.02 0.00 0.00 41.12 42.64 1s3f n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s3f n TYR 151 N -1.56 0.96 -2.81 1.24 9.36 0.68 -4.86 117.16 120.18 1s3f n TYR 151 Ca -0.00 0.70 -0.43 0.00 3.32 0.00 0.00 57.90 61.49 1s3f n TYR 151 Cb 0.06 -2.20 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 1s3f n TYR 151 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s3f s ASN 152 N -0.65 6.60 0.00 2.98 2.47 -1.26 -4.81 114.94 120.27 1s3f s ASN 152 Ca 0.60 -1.88 0.20 0.00 0.42 0.00 0.00 52.86 52.20 1s3f s ASN 152 Cb -0.70 -2.45 1.13 0.00 -1.45 0.00 0.00 41.25 37.78 1s3f s ASN 152 CO 0.59 -1.20 1.57 0.49 -3.72 0.00 0.00 177.10 174.83 1s3f n PHE 153 N 7.28 0.00 0.22 0.43 3.72 -1.26 -0.06 117.46 127.78 1s3f n PHE 153 Ca 0.27 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.79 1s3f n PHE 153 Cb 0.50 -0.06 0.16 0.00 -0.94 0.00 0.00 39.48 39.14 1s3f n PHE 153 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s3f h ASN 154 N 0.00 0.00 0.00 4.37 2.35 -1.89 -3.37 115.58 117.04 1s3f h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s3f h ASN 154 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1s3f h ASN 154 CO 0.00 0.02 -0.32 -0.62 -1.65 0.00 0.00 177.43 174.87 1s3f n GLU 155 N -3.11 3.81 -3.46 0.81 1.02 -0.90 -4.95 120.64 113.86 1s3f n GLU 155 Ca 0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 1s3f n GLU 155 Cb 0.54 -0.63 0.01 0.00 -0.02 0.00 0.00 31.44 31.34 1s3f n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s3f s PRO 157 N -3.70 4.11 0.72 0.00 0.02 -1.26 -4.96 135.00 129.94 1s3f s PRO 157 Ca 0.11 2.61 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 1s3f s PRO 157 Cb -0.02 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.49 1s3f s PRO 157 CO 0.85 -0.70 1.11 -1.12 -0.33 0.00 0.00 177.00 176.80 1s3f s SER 158 N 0.83 4.70 -0.43 2.53 0.01 -1.26 -4.80 113.70 115.29 1s3f s SER 158 Ca 0.69 1.94 0.05 0.00 1.31 0.00 0.00 55.95 59.94 1s3f s SER 158 Cb -0.49 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.39 1s3f s SER 158 CO 0.41 -1.90 0.74 0.21 0.41 0.00 0.00 173.24 173.10 1s3f s ASN 159 N -2.94 -1.30 0.36 2.44 2.47 0.33 -4.95 114.94 111.36 1s3f s ASN 159 Ca 0.65 -0.96 -0.26 0.00 0.42 0.00 0.00 52.86 52.71 1s3f s ASN 159 Cb -0.19 1.67 -0.12 0.00 -1.45 0.00 0.00 41.25 41.16 1s3f s ASN 159 CO 0.49 -0.11 0.93 -2.65 -3.72 0.00 0.00 177.10 172.04 1s3f n PRO 160 N 3.79 1.20 -2.23 0.43 -0.02 -1.25 -1.85 135.00 135.08 1s3f n PRO 160 Ca 0.12 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1s3f n PRO 160 Cb 0.58 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1s3f n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s3f s VAL 161 N -1.22 3.62 -0.00 -1.45 1.01 -1.26 -4.82 120.40 116.28 1s3f s VAL 161 Ca 0.61 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.62 1s3f s VAL 161 Cb -0.63 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1s3f s VAL 161 CO 0.58 0.03 0.12 -0.13 0.00 0.00 0.00 175.10 175.70 1s3f s ARG 162 N 1.84 0.41 0.00 2.72 0.52 -1.26 -4.88 118.95 118.30 1s3f s ARG 162 Ca 0.64 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 1s3f s ARG 162 Cb -0.33 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1s3f s ARG 162 CO 0.28 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1s3f n GLY 163 N 1.71 0.72 3.45 -3.53 0.00 -1.26 -5.07 105.19 101.21 1s3f n GLY 163 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1s3f n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3f s TYR 164 N -2.20 2.84 0.63 1.61 2.02 -1.26 -4.87 117.35 116.13 1s3f s TYR 164 Ca 0.00 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 1s3f s TYR 164 Cb 0.00 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1s3f s TYR 164 CO 0.00 -0.02 1.18 0.20 -1.57 0.00 0.00 175.55 175.34 1s3f s GLY 165 N -0.05 2.51 -0.13 0.71 0.00 0.11 -4.77 107.32 105.71 1s3f s GLY 165 Ca -0.02 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 1s3f s GLY 165 CO 0.04 1.24 -0.12 -0.42 0.00 0.00 0.00 173.10 173.84 1s3f s ILE 166 N -1.87 3.17 0.00 0.90 -1.09 -1.26 -0.91 121.20 120.14 1s3f s ILE 166 Ca 0.74 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1s3f s ILE 166 Cb -0.27 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1s3f s ILE 166 CO 0.37 0.53 0.10 0.00 -1.23 0.00 0.00 174.94 174.71