#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 2.69 -2.76 0.03 -0.00 -1.26 -4.97 118.16 111.89 1s3f n LYS 2 Ca 0.00 0.96 -0.33 0.00 -0.00 0.00 0.00 58.31 58.95 1s3f n LYS 2 Cb 0.00 -2.77 -0.06 0.00 -0.00 0.00 0.00 35.03 32.19 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 0.61 3.06 -0.22 0.58 0.00 -1.26 -4.97 121.76 119.57 1s3f s ALA 3 Ca 0.70 0.34 0.17 0.00 0.00 0.00 0.00 51.96 53.17 1s3f s ALA 3 Cb -0.52 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 19.60 1s3f s ALA 3 CO 0.40 0.07 1.44 0.28 0.00 0.00 0.00 175.76 177.95 1s3f h VAL 4 N 1.72 0.62 -2.46 0.00 2.07 -2.03 -3.46 116.25 112.70 1s3f h VAL 4 Ca -0.49 -1.89 -0.08 0.00 0.82 0.00 0.00 66.70 65.07 1s3f h VAL 4 Cb 1.18 2.28 -0.19 0.00 -1.52 0.00 0.00 31.29 33.04 1s3f h VAL 4 CO 0.61 0.35 -0.00 0.68 0.02 0.00 0.00 177.57 179.23 1s3f s VAL 5 N -3.03 0.02 0.15 2.57 -7.23 -1.26 -5.13 120.40 106.50 1s3f s VAL 5 Ca 0.04 -0.20 -0.33 0.00 -1.81 0.00 0.00 61.98 59.67 1s3f s VAL 5 Cb 0.07 -0.85 -0.16 0.00 0.56 0.00 0.00 36.38 36.00 1s3f s VAL 5 CO 0.73 -0.11 1.11 -2.65 -0.31 0.00 0.00 175.10 173.87 1s3f n PRO 6 N 1.01 0.93 0.00 4.82 -0.02 -1.26 -4.88 135.00 135.60 1s3f n PRO 6 Ca -0.20 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1s3f n PRO 6 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1s3f n PRO 6 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s3f n THR 7 N 1.43 0.00 -2.10 3.45 -1.04 -1.17 -4.55 114.28 110.30 1s3f n THR 7 Ca 0.16 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.71 1s3f n THR 7 Cb 0.22 0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 69.23 1s3f n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s3f s GLY 8 N -1.82 1.75 -0.28 3.41 0.00 -0.26 -4.73 107.32 105.39 1s3f s GLY 8 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 44.72 45.80 1s3f s GLY 8 CO 0.00 2.63 -0.02 0.54 0.00 0.00 0.00 173.10 176.25 1s3f s LYS 9 N 2.25 1.67 0.04 2.90 1.02 -1.26 0.95 119.74 127.31 1s3f s LYS 9 Ca 0.68 -1.39 -0.20 0.00 0.02 0.00 0.00 55.97 55.07 1s3f s LYS 9 Cb -0.36 -2.82 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1s3f s LYS 9 CO 0.29 -0.74 0.59 0.42 -0.92 0.00 0.00 175.35 175.00 1s3f s ILE 10 N 1.17 4.81 -0.39 2.17 -1.09 0.27 -0.08 121.20 128.05 1s3f s ILE 10 Ca 0.00 1.26 -0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1s3f s ILE 10 Cb -0.19 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1s3f s ILE 10 CO -0.08 0.48 0.20 -0.47 -1.23 0.00 0.00 174.94 173.84 1s3f s TYR 11 N -0.64 3.37 -0.59 3.97 5.04 -0.56 -0.73 117.35 127.20 1s3f s TYR 11 Ca 0.30 -1.71 -0.23 0.00 -2.44 0.00 0.00 57.07 52.99 1s3f s TYR 11 Cb -0.19 -2.82 0.06 0.00 0.35 0.00 0.00 41.96 39.35 1s3f s TYR 11 CO 0.18 -0.85 0.91 -1.17 -1.34 0.00 0.00 175.55 173.28 1s3f s LEU 12 N 1.35 4.36 0.02 6.97 2.96 0.18 -1.19 118.68 133.34 1s3f s LEU 12 Ca 0.02 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 1s3f s LEU 12 Cb -0.22 -2.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1s3f s LEU 12 CO 0.01 -1.28 0.36 -0.83 -1.32 0.00 0.00 176.35 173.29 1s3f s GLY 13 N 3.21 2.36 -0.29 7.98 0.00 -0.26 -4.31 107.32 116.00 1s3f s GLY 13 Ca 0.24 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 1s3f s GLY 13 CO 0.14 -0.11 1.39 -0.45 0.00 0.00 0.00 173.10 174.06 1s3f s SER 14 N -1.45 -0.05 0.79 1.64 0.15 -1.26 -1.34 113.70 112.17 1s3f s SER 14 Ca 0.27 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1s3f s SER 14 Cb -0.15 0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.30 1s3f s SER 14 CO 0.15 -0.03 1.09 -2.84 1.20 0.00 0.00 173.24 172.80 1s3f s PRO 15 N -0.59 2.13 0.00 5.44 0.02 -1.26 -5.00 135.00 135.74 1s3f s PRO 15 Ca 0.08 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.20 1s3f s PRO 15 Cb -0.03 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1s3f s PRO 15 CO -0.11 -1.71 0.00 0.34 -0.33 0.00 0.00 177.00 175.19 1s3f n PHE 16 N -3.56 0.00 0.00 6.54 7.35 -1.26 -4.64 117.46 121.89 1s3f n PHE 16 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1s3f n PHE 16 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 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 0.00 0.00 -1.68 -5.13 4.02 -1.26 -4.88 117.16 108.23 1s3f n TYR 17 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.45 1s3f n TYR 17 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 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 2.91 2.73 -0.09 7.72 3.41 -1.26 -4.82 113.62 124.21 1s3f n SER 18 Ca 0.00 1.16 -0.06 0.00 -0.26 0.00 0.00 58.87 59.71 1s3f n SER 18 Cb 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 1s3f n SER 18 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1s3f h ASP 19 N 3.78 -0.54 -0.47 4.04 1.82 -2.00 -0.83 116.42 122.23 1s3f h ASP 19 Ca -0.45 0.13 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 1s3f h ASP 19 Cb 1.28 0.30 -0.02 0.00 0.68 0.00 0.00 39.33 41.57 1s3f h ASP 19 CO 0.72 -0.19 0.19 0.00 -1.61 0.00 0.00 179.24 178.35 1s3f h ALA 20 N 1.16 0.61 -0.82 -0.78 0.00 -1.99 -2.26 119.26 115.19 1s3f h ALA 20 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s3f h ALA 20 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1s3f h ALA 20 CO -0.41 0.21 0.46 1.96 0.00 0.00 0.00 179.25 181.48 1s3f h GLN 21 N 0.62 1.13 -0.61 0.00 4.20 -1.80 -1.57 115.11 117.08 1s3f h GLN 21 Ca 0.16 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1s3f h GLN 21 Cb 0.19 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1s3f h GLN 21 CO -0.01 0.82 0.13 0.00 -0.67 0.00 0.00 178.83 179.10 1s3f h ARG 22 N 1.13 0.96 -0.19 1.46 3.08 -1.03 -2.31 114.38 117.48 1s3f h ARG 22 Ca 0.29 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1s3f h ARG 22 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1s3f h ARG 22 CO -0.05 0.87 0.05 1.49 -1.07 0.00 0.00 179.97 181.26 1s3f h GLU 23 N 0.92 0.14 0.30 0.04 4.81 -0.74 -1.77 114.58 118.28 1s3f h GLU 23 Ca 0.19 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s3f h GLU 23 Cb 0.35 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1s3f h GLU 23 CO 0.00 0.09 -0.26 0.00 -0.73 0.00 0.00 179.01 178.12 1s3f h ARG 24 N 0.14 -0.55 -0.63 1.92 3.08 -0.98 -1.23 114.38 116.13 1s3f h ARG 24 Ca 0.09 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1s3f h ARG 24 Cb 0.07 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 1s3f h ARG 24 CO -0.10 -0.37 0.16 0.00 -1.07 0.00 0.00 179.97 178.59 1s3f h ALA 25 N 0.04 0.78 -0.69 0.04 0.00 -1.31 0.63 119.26 118.75 1s3f h ALA 25 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s3f h ALA 25 Cb 0.51 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1s3f h ALA 25 CO -0.02 -0.29 0.44 0.00 0.00 0.00 0.00 179.25 179.37 1s3f h ALA 26 N 1.50 0.90 -0.08 0.00 0.00 -1.03 -0.28 119.26 120.26 1s3f h ALA 26 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1s3f h ALA 26 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s3f h ALA 26 CO -0.41 0.22 -0.65 -0.22 0.00 0.00 0.00 179.25 178.20 1s3f h LYS 27 N 0.86 0.31 -0.55 0.00 3.64 0.11 -2.82 116.57 118.12 1s3f h LYS 27 Ca 0.27 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1s3f h LYS 27 Cb -0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1s3f h LYS 27 CO -0.10 0.85 0.24 0.00 -2.27 0.00 0.00 179.45 178.18 1s3f h ALA 28 N 1.09 0.71 0.08 5.00 0.00 0.87 -1.38 119.26 125.63 1s3f h ALA 28 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s3f h ALA 28 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1s3f h ALA 28 CO 0.11 0.30 -0.08 0.87 0.00 0.00 0.00 179.25 180.45 1s3f h LYS 29 N 0.75 -0.16 -0.24 0.00 1.57 -0.98 0.30 116.57 117.80 1s3f h LYS 29 Ca 0.19 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1s3f h LYS 29 Cb 0.16 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1s3f h LYS 29 CO -0.02 -0.11 -0.16 0.93 -0.57 0.00 0.00 179.45 179.52 1s3f h GLU 30 N -0.17 -0.15 -0.31 3.15 5.08 -1.31 0.25 114.58 121.12 1s3f h GLU 30 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1s3f h GLU 30 Cb 0.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1s3f h GLU 30 CO -0.02 -0.10 0.09 -0.07 -1.00 0.00 0.00 179.01 177.91 1s3f h LEU 31 N -0.15 0.09 -0.59 1.33 3.38 -0.97 -2.69 115.31 115.71 1s3f h LEU 31 Ca 0.13 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1s3f h LEU 31 Cb 0.36 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1s3f h LEU 31 CO -0.33 0.09 0.20 -0.07 0.09 0.00 0.00 178.44 178.42 1s3f h LEU 32 N 0.22 0.85 -2.25 1.67 3.38 -0.38 -2.05 115.31 116.75 1s3f h LEU 32 Ca 0.14 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1s3f h LEU 32 Cb 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1s3f h LEU 32 CO -0.15 0.82 0.25 0.00 0.09 0.00 0.00 178.44 179.44 1s3f h ALA 33 N 1.07 1.53 -0.01 1.53 0.00 -0.21 0.39 119.26 123.55 1s3f h ALA 33 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s3f h ALA 33 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1s3f h ALA 33 CO -0.01 -0.31 -0.11 1.63 0.00 0.00 0.00 179.25 180.45 1s3f n LYS 34 N -3.31 1.38 -3.05 0.00 5.02 -0.77 -4.86 118.16 112.56 1s3f n LYS 34 Ca 0.00 -0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 55.04 1s3f n LYS 34 Cb 0.34 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.20 6.66 0.40 4.39 3.84 0.14 -4.93 114.94 123.23 1s3f s ASN 35 Ca 0.32 0.81 0.29 0.00 0.21 0.00 0.00 52.86 54.49 1s3f s ASN 35 Cb 0.20 -2.37 1.29 0.00 -0.55 0.00 0.00 41.25 39.82 1s3f s ASN 35 CO 0.41 -0.41 1.86 -0.65 -2.79 0.00 0.00 177.10 175.52 1s3f h PRO 36 N 7.80 0.00 -0.01 0.43 0.11 -1.86 -2.81 132.00 135.66 1s3f h PRO 36 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1s3f h PRO 36 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s3f h PRO 36 CO 0.80 0.00 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.26 1s3f n SER 37 N -2.58 0.80 -4.72 -2.05 3.41 -1.26 -4.53 113.62 102.69 1s3f n SER 37 Ca 0.01 -0.75 -0.37 0.00 -0.26 0.00 0.00 58.87 57.50 1s3f n SER 37 Cb 0.20 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.50 5.28 -0.19 -1.33 1.01 -1.06 -1.10 121.20 121.31 1s3f s ILE 38 Ca 0.26 0.62 0.18 0.00 0.00 0.00 0.00 60.65 61.71 1s3f s ILE 38 Cb 0.20 -3.67 -0.26 0.00 0.01 0.00 0.00 42.46 38.74 1s3f s ILE 38 CO 0.50 0.37 0.11 0.00 0.00 0.00 0.00 174.94 175.92 1s3f n ALA 39 N 3.66 1.59 -3.54 9.38 0.00 0.27 -4.83 120.51 127.04 1s3f n ALA 39 Ca -0.11 -1.27 -0.16 0.00 0.00 0.00 0.00 53.44 51.90 1s3f n ALA 39 Cb 0.52 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.57 -0.63 -0.07 0.00 5.65 -0.98 -5.02 115.29 111.68 1s3f s HIS 40 Ca -0.10 1.14 0.02 0.00 0.25 0.00 0.00 55.06 56.38 1s3f s HIS 40 Cb 0.07 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.88 1s3f s HIS 40 CO 0.84 -0.54 -0.12 0.08 -0.65 0.00 0.00 174.74 174.35 1s3f s VAL 41 N -0.98 1.11 -0.16 0.89 1.01 -1.26 -0.57 120.40 120.44 1s3f s VAL 41 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1s3f s VAL 41 Cb -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1s3f s VAL 41 CO 0.07 0.35 -0.15 0.12 0.00 0.00 0.00 175.10 175.49 1s3f s PHE 42 N 0.73 2.78 -0.22 5.22 5.36 0.09 -4.97 117.98 126.97 1s3f s PHE 42 Ca -0.13 -1.09 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 1s3f s PHE 42 Cb -0.16 -1.90 0.05 0.00 -0.34 0.00 0.00 43.02 40.68 1s3f s PHE 42 CO 0.03 -0.51 -0.11 0.12 -1.46 0.00 0.00 175.22 173.30 1s3f s PHE 43 N 0.87 2.69 0.44 10.12 5.36 -1.26 -0.65 117.98 135.54 1s3f s PHE 43 Ca -0.04 -1.83 0.24 0.00 -0.96 0.00 0.00 56.93 54.34 1s3f s PHE 43 Cb -0.15 -1.74 1.24 0.00 -0.34 0.00 0.00 43.02 42.03 1s3f s PHE 43 CO -0.01 -0.79 1.77 -1.00 -1.46 0.00 0.00 175.22 173.72 1s3f h PRO 44 N 7.91 0.26 0.00 10.12 0.13 -1.95 -2.39 132.00 146.08 1s3f h PRO 44 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1s3f h PRO 44 Cb 1.08 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1s3f h PRO 44 CO 0.48 0.17 -0.07 0.74 -0.23 0.00 0.00 178.00 179.09 1s3f h PHE 45 N 0.27 0.00 0.00 1.56 -1.00 -1.95 -3.41 116.94 112.41 1s3f h PHE 45 Ca 0.60 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.38 1s3f h PHE 45 Cb 1.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.33 1s3f h PHE 45 CO -0.00 0.00 0.00 -0.25 -1.61 0.00 0.00 178.31 176.45 1s3f n ASP 46 N -2.31 0.00 -4.92 2.17 8.00 -0.90 -4.76 116.55 113.84 1s3f n ASP 46 Ca 0.05 0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.33 1s3f n ASP 46 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1s3f n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s3f s ASP 47 N -2.44 6.15 0.28 -2.24 1.01 -1.26 -5.10 116.67 113.07 1s3f s ASP 47 Ca 0.00 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.09 1s3f s ASP 47 Cb 0.00 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1s3f s ASP 47 CO 0.00 -0.62 0.19 -0.83 0.21 0.00 0.00 175.17 174.13 1s3f s GLY 48 N -4.13 1.99 -0.15 0.21 0.00 -1.26 -4.99 107.32 98.99 1s3f s GLY 48 Ca 0.47 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.28 1s3f s GLY 48 CO 0.43 -1.49 0.08 -0.12 0.00 0.00 0.00 173.10 172.00 1s3f s PHE 49 N -3.71 3.36 -0.21 1.90 5.36 -1.26 -5.09 117.98 118.34 1s3f s PHE 49 Ca 0.38 0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.58 1s3f s PHE 49 Cb 0.05 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1s3f s PHE 49 CO 0.20 0.40 -0.03 0.99 -1.46 0.00 0.00 175.22 175.32 1s3f s THR 50 N -0.27 3.54 -0.73 0.12 2.01 -1.26 -5.01 115.64 114.04 1s3f s THR 50 Ca 0.09 -0.44 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 1s3f s THR 50 Cb -0.12 -2.60 0.14 0.00 0.01 0.00 0.00 72.50 69.93 1s3f s THR 50 CO 0.01 0.43 0.82 -0.62 -0.69 0.00 0.00 174.62 174.58 1s3f s ASP 51 N 1.25 6.42 0.30 3.53 2.15 -1.26 -4.89 116.67 124.17 1s3f s ASP 51 Ca 0.03 -1.86 0.08 0.00 0.43 0.00 0.00 52.55 51.23 1s3f s ASP 51 Cb -0.14 -2.31 0.46 0.00 -0.30 0.00 0.00 42.92 40.63 1s3f s ASP 51 CO -0.01 -0.98 1.10 -2.65 -0.17 0.00 0.00 175.17 172.46 1s3f n PRO 52 N 5.86 0.06 -0.61 4.34 -0.02 -1.26 0.11 135.00 143.49 1s3f n PRO 52 Ca 0.04 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1s3f n PRO 52 Cb 0.45 -2.12 0.32 0.00 -0.02 0.00 0.00 33.50 32.13 1s3f n PRO 52 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1s3f n ASP 53 N -1.90 4.44 -4.25 2.55 -0.08 -1.26 -4.82 116.55 111.23 1s3f n ASP 53 Ca -0.01 -2.51 -0.38 0.00 -1.51 0.00 0.00 54.79 50.39 1s3f n ASP 53 Cb 0.44 -0.57 -0.12 0.00 2.34 0.00 0.00 41.12 43.21 1s3f n ASP 53 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s3f s GLU 54 N -2.02 2.55 0.00 -0.67 2.12 0.31 -5.04 118.70 115.96 1s3f s GLU 54 Ca 0.45 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1s3f s GLU 54 Cb 0.31 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1s3f s GLU 54 CO 0.19 -0.78 0.13 0.36 -0.54 0.00 0.00 175.26 174.61 1s3f n LYS 55 N 4.81 0.00 -3.64 4.30 -0.00 -1.26 -4.34 118.16 118.03 1s3f n LYS 55 Ca -0.11 0.05 -0.37 0.00 -0.00 0.00 0.00 58.31 57.89 1s3f n LYS 55 Cb 0.44 -0.63 -0.07 0.00 -0.00 0.00 0.00 35.03 34.77 1s3f n LYS 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s3f s ASN 56 N -2.41 5.91 -0.63 -5.58 2.20 -1.26 -5.04 114.94 108.14 1s3f s ASN 56 Ca 0.00 -3.56 -0.31 0.00 -0.94 0.00 0.00 52.86 48.05 1s3f s ASN 56 Cb 0.00 -1.91 -0.14 0.00 -2.00 0.00 0.00 41.25 37.20 1s3f s ASN 56 CO 0.00 -0.22 2.44 -2.65 -2.94 0.00 0.00 177.10 173.73 1s3f n PRO 57 N 2.56 0.66 -2.79 3.55 -0.02 -1.26 -4.89 135.00 132.80 1s3f n PRO 57 Ca 0.19 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1s3f n PRO 57 Cb 0.37 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 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 7.89 3.65 -0.08 -0.52 0.41 -1.26 -4.91 118.70 123.88 1s3f s GLU 58 Ca 1.15 0.33 -0.03 0.00 -0.41 0.00 0.00 54.97 56.01 1s3f s GLU 58 Cb -0.78 -3.89 -0.13 0.00 -1.78 0.00 0.00 34.13 27.55 1s3f s GLU 58 CO 0.42 -1.16 2.06 -0.89 -0.49 0.00 0.00 175.26 175.19 1s3f n ILE 59 N 6.34 1.57 0.00 -1.63 5.41 -1.26 -0.75 119.36 129.04 1s3f n ILE 59 Ca 0.07 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 63.02 1s3f n ILE 59 Cb 0.48 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1s3f n ILE 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s3f n GLY 60 N 2.85 0.00 0.00 7.39 0.00 -1.26 -5.15 105.19 109.02 1s3f n GLY 60 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1s3f n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3f n GLY 61 N 0.00 -0.93 0.35 -0.02 0.00 0.07 -4.99 105.19 99.68 1s3f n GLY 61 Ca 0.00 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1s3f n GLY 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s3f h ILE 62 N -0.59 0.32 -2.33 -0.61 6.09 -1.99 -3.48 117.51 114.93 1s3f h ILE 62 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1s3f h ILE 62 Cb 0.00 0.32 0.00 0.00 0.47 0.00 0.00 36.82 37.61 1s3f h ILE 62 CO 0.00 0.00 -0.55 0.54 -3.07 0.00 0.00 178.15 175.07 1s3f n ARG 63 N -5.43 -2.92 -1.68 2.19 1.74 -1.26 -4.96 116.66 104.34 1s3f n ARG 63 Ca -0.09 2.14 -0.36 0.00 -0.77 0.00 0.00 57.85 58.78 1s3f n ARG 63 Cb 0.34 -2.38 0.07 0.00 -1.02 0.00 0.00 32.46 29.47 1s3f n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s3f s SER 64 N -2.18 4.57 0.42 0.55 1.04 -1.26 -4.86 113.70 111.99 1s3f s SER 64 Ca 0.00 2.46 0.14 0.00 0.48 0.00 0.00 55.95 59.03 1s3f s SER 64 Cb 0.00 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 64.44 1s3f s SER 64 CO 0.00 -2.02 1.94 -0.03 0.98 0.00 0.00 173.24 174.11 1s3f h MET 65 N 0.27 0.00 -0.28 4.02 4.05 -1.99 -1.30 114.93 119.70 1s3f h MET 65 Ca -0.49 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.90 1s3f h MET 65 Cb 1.31 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 1s3f h MET 65 CO 0.52 0.24 0.08 0.28 0.23 0.00 0.00 176.91 178.27 1s3f h VAL 66 N 0.00 1.21 -0.51 -5.77 2.07 -1.99 0.38 116.25 111.64 1s3f h VAL 66 Ca -0.00 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1s3f h VAL 66 Cb 0.44 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1s3f h VAL 66 CO 0.03 0.22 -0.18 -0.25 0.02 0.00 0.00 177.57 177.41 1s3f h TRP 67 N 0.30 1.16 0.13 1.57 7.01 -1.83 -1.84 115.95 122.45 1s3f h TRP 67 Ca 0.09 -0.27 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 1s3f h TRP 67 Cb 0.26 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1s3f h TRP 67 CO 0.01 1.10 -0.06 0.00 -2.79 0.00 0.00 178.44 176.70 1s3f h ARG 68 N 0.89 -0.17 0.13 2.65 3.08 -1.07 0.11 114.38 120.00 1s3f h ARG 68 Ca 0.12 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1s3f h ARG 68 Cb 0.76 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1s3f h ARG 68 CO 0.06 -0.06 -0.15 -0.44 -1.07 0.00 0.00 179.97 178.31 1s3f h ASP 69 N -0.24 -0.41 -0.59 7.04 3.32 -0.90 0.52 116.42 125.16 1s3f h ASP 69 Ca -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1s3f h ASP 69 Cb 0.19 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1s3f h ASP 69 CO 0.03 -0.23 0.34 0.00 -1.72 0.00 0.00 179.24 177.66 1s3f h ALA 70 N 0.51 1.45 -0.02 3.45 0.00 -1.26 -0.14 119.26 123.25 1s3f h ALA 70 Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1s3f h ALA 70 Cb 0.32 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s3f h ALA 70 CO -0.05 0.46 -0.53 1.15 0.00 0.00 0.00 179.25 180.27 1s3f h THR 71 N 0.84 1.43 -0.58 0.00 2.02 -0.52 -2.18 112.91 113.93 1s3f h THR 71 Ca 0.22 -2.01 0.02 0.00 0.77 0.00 0.00 66.41 65.41 1s3f h THR 71 Cb 0.01 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1s3f h THR 71 CO -0.04 0.58 0.37 0.22 0.37 0.00 0.00 175.52 177.02 1s3f h TYR 72 N -0.12 0.69 -0.15 3.16 3.20 -0.74 -2.28 116.97 120.73 1s3f h TYR 72 Ca -0.06 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 1s3f h TYR 72 Cb 1.24 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1s3f h TYR 72 CO 0.14 0.41 -0.28 0.37 -1.64 0.00 0.00 178.16 177.17 1s3f h GLN 73 N 0.74 0.27 -0.12 1.82 5.75 -1.06 -1.28 115.11 121.23 1s3f h GLN 73 Ca 0.23 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1s3f h GLN 73 Cb -0.02 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1s3f h GLN 73 CO -0.08 0.53 -0.08 -0.91 -2.65 0.00 0.00 178.83 175.65 1s3f h ASN 74 N 0.25 0.16 -0.04 -0.69 2.35 -0.82 0.14 115.58 116.92 1s3f h ASN 74 Ca 0.04 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1s3f h ASN 74 Cb 0.62 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.96 1s3f h ASN 74 CO 0.04 0.27 -0.46 0.44 -1.65 0.00 0.00 177.43 176.07 1s3f h ASP 75 N 0.17 0.48 -0.01 5.81 3.32 -0.96 -2.20 116.42 123.03 1s3f h ASP 75 Ca 0.04 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 1s3f h ASP 75 Cb 0.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1s3f h ASP 75 CO 0.01 1.11 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.46 1s3f h LEU 76 N -0.11 0.26 -0.66 1.55 3.38 -0.91 -1.05 115.31 117.77 1s3f h LEU 76 Ca -0.05 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1s3f h LEU 76 Cb 1.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1s3f h LEU 76 CO 0.09 0.41 -0.19 0.74 0.09 0.00 0.00 178.44 179.58 1s3f h THR 77 N 0.26 1.27 -0.35 0.22 2.02 -0.72 0.12 112.91 115.73 1s3f h THR 77 Ca 0.05 -1.31 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 1s3f h THR 77 Cb 0.38 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1s3f h THR 77 CO 0.02 0.45 -0.22 1.23 0.37 0.00 0.00 175.52 177.37 1s3f h GLY 78 N 0.95 0.74 1.05 2.16 0.00 -0.69 -1.06 103.07 106.22 1s3f h GLY 78 Ca 0.11 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1s3f h GLY 78 CO 0.06 0.56 -0.15 -2.22 0.00 0.00 0.00 176.54 174.79 1s3f h ILE 79 N 0.60 1.27 -0.45 2.60 2.04 -0.88 -1.57 117.51 121.12 1s3f h ILE 79 Ca 0.09 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1s3f h ILE 79 Cb 0.69 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1s3f h ILE 79 CO 0.05 0.44 0.26 -1.28 0.00 0.00 0.00 178.15 177.62 1s3f h SER 80 N 0.75 0.55 0.72 1.72 0.87 -0.41 -2.98 113.55 114.77 1s3f h SER 80 Ca 0.11 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1s3f h SER 80 Cb 0.70 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1s3f h SER 80 CO 0.05 0.46 -0.73 0.78 -0.53 0.00 0.00 176.83 176.86 1s3f h ASN 81 N 0.59 0.02 -4.14 6.23 2.35 -1.18 -3.46 115.58 115.99 1s3f h ASN 81 Ca 0.16 -0.01 -0.53 0.00 -0.55 0.00 0.00 56.30 55.37 1s3f h ASN 81 Cb 0.02 -0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.52 1s3f h ASN 81 CO -0.03 0.74 0.44 0.00 -1.65 0.00 0.00 177.43 176.93 1s3f s ALA 82 N -3.35 2.37 -0.07 -0.83 0.00 -0.60 -4.90 121.76 114.38 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 -3.45 -0.27 0.00 0.00 0.00 0.00 23.12 19.52 1s3f s ALA 82 CO 0.78 -1.46 0.60 0.25 0.00 0.00 0.00 175.76 175.93 1s3f n THR 83 N -2.10 0.14 -3.51 0.00 -2.24 0.88 -4.98 114.28 102.48 1s3f n THR 83 Ca 0.13 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1s3f n THR 83 Cb 0.50 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.73 1.70 -0.20 0.00 0.00 -0.69 -1.50 107.32 103.91 1s3f s GLY 85 Ca 0.04 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 1s3f s GLY 85 CO -0.09 -0.97 -0.05 0.14 0.00 0.00 0.00 173.10 172.13 1s3f s VAL 86 N -0.99 1.31 -0.25 1.40 1.01 -0.33 0.25 120.40 122.80 1s3f s VAL 86 Ca 0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1s3f s VAL 86 Cb -0.11 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1s3f s VAL 86 CO 0.07 0.02 0.00 -0.36 0.00 0.00 0.00 175.10 174.84 1s3f s PHE 87 N 1.52 3.04 -1.12 5.22 0.08 -0.03 -1.10 117.98 125.59 1s3f s PHE 87 Ca -0.02 -0.94 -0.21 0.00 0.12 0.00 0.00 56.93 55.88 1s3f s PHE 87 Cb -0.17 -2.16 0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1s3f s PHE 87 CO -0.07 -0.55 1.58 -0.51 -0.10 0.00 0.00 175.22 175.57 1s3f s LEU 88 N 1.49 3.61 -0.34 -0.37 1.02 -0.45 -0.55 118.68 123.08 1s3f s LEU 88 Ca 0.04 -1.80 -0.25 0.00 0.02 0.00 0.00 54.13 52.15 1s3f s LEU 88 Cb -0.15 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.49 1s3f s LEU 88 CO -0.01 -1.45 0.88 -0.47 0.02 0.00 0.00 176.35 175.32 1s3f s TYR 89 N 4.95 3.13 -0.46 0.29 5.04 -0.32 -4.39 117.35 125.58 1s3f s TYR 89 Ca 0.50 0.80 -0.26 0.00 -2.44 0.00 0.00 57.07 55.66 1s3f s TYR 89 Cb 0.01 -3.48 0.03 0.00 0.35 0.00 0.00 41.96 38.87 1s3f s TYR 89 CO -0.03 -0.72 0.98 0.34 -1.34 0.00 0.00 175.55 174.78 1s3f s ASP 90 N 1.76 6.54 0.23 4.32 -1.08 -1.26 -0.26 116.67 126.92 1s3f s ASP 90 Ca 0.36 0.23 0.26 0.00 -0.52 0.00 0.00 52.55 52.87 1s3f s ASP 90 Cb -0.13 -2.48 0.85 0.00 -1.46 0.00 0.00 42.92 39.70 1s3f s ASP 90 CO 0.16 -1.10 1.76 0.23 0.52 0.00 0.00 175.17 176.74 1s3f n MET 91 N 7.34 0.25 0.03 4.34 2.81 0.52 -3.57 117.12 128.84 1s3f n MET 91 Ca 0.08 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 56.02 1s3f n MET 91 Cb 0.49 -1.84 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 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 0.46 -3.74 7.83 3.45 -1.91 -3.42 116.42 119.09 1s3f h ASP 92 Ca 0.00 -0.89 -0.62 0.00 0.43 0.00 0.00 57.03 55.95 1s3f h ASP 92 Cb 0.65 -0.15 -0.40 0.00 -0.56 0.00 0.00 39.33 38.87 1s3f h ASP 92 CO 0.00 1.71 -0.71 0.00 -1.57 0.00 0.00 179.24 178.68 1s3f s GLN 93 N -2.52 1.44 0.12 3.56 -2.07 -1.24 -5.09 119.66 113.85 1s3f s GLN 93 Ca -0.19 -2.06 -0.33 0.00 -1.82 0.00 0.00 55.36 50.96 1s3f s GLN 93 Cb 0.05 -2.69 -0.12 0.00 -1.09 0.00 0.00 33.01 29.16 1s3f s GLN 93 CO 0.79 -1.10 1.73 1.28 -1.32 0.00 0.00 175.29 176.67 1s3f n LEU 94 N 3.66 3.56 -4.43 2.60 4.77 -1.23 -4.67 117.00 121.26 1s3f n LEU 94 Ca 0.06 1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 1s3f n LEU 94 Cb 0.36 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 39.86 1s3f n LEU 94 CO 0.25 -0.04 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.53 1s3f s ASP 95 N 1.99 5.92 0.47 -1.43 2.15 -1.26 -4.95 116.67 119.55 1s3f s ASP 95 Ca 0.81 -0.88 0.22 0.00 0.43 0.00 0.00 52.55 53.13 1s3f s ASP 95 Cb -0.60 -2.09 1.17 0.00 -0.30 0.00 0.00 42.92 41.10 1s3f s ASP 95 CO 0.39 -0.39 1.98 -2.24 -0.17 0.00 0.00 175.17 174.74 1s3f h ASP 96 N 8.52 0.00 -0.46 -0.34 2.03 -1.99 -2.43 116.42 121.75 1s3f h ASP 96 Ca -0.27 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.02 1s3f h ASP 96 Cb 1.12 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.60 1s3f h ASP 96 CO 0.69 0.19 0.23 1.23 -1.03 0.00 0.00 179.24 180.56 1s3f h GLY 97 N 0.99 0.69 1.03 7.15 0.00 -2.00 -0.06 103.07 110.87 1s3f h GLY 97 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1s3f h GLY 97 CO 0.03 0.32 0.19 1.76 0.00 0.00 0.00 176.54 178.83 1s3f h SER 98 N 0.60 0.97 -0.59 0.19 0.02 -1.84 -2.87 113.55 110.02 1s3f h SER 98 Ca 0.16 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1s3f h SER 98 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1s3f h SER 98 CO -0.02 0.93 0.13 0.00 -1.14 0.00 0.00 176.83 176.73 1s3f h ALA 99 N 1.07 0.78 -0.20 3.77 0.00 -1.18 -2.21 119.26 121.29 1s3f h ALA 99 Ca 0.21 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1s3f h ALA 99 Cb 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1s3f h ALA 99 CO -0.00 0.50 -0.15 0.35 0.00 0.00 0.00 179.25 179.95 1s3f h PHE 100 N 0.86 -0.37 0.00 0.00 3.57 -0.83 -1.93 116.94 118.24 1s3f h PHE 100 Ca 0.18 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1s3f h PHE 100 Cb 0.37 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1s3f h PHE 100 CO 0.03 -0.21 -0.13 1.05 -2.23 0.00 0.00 178.31 176.81 1s3f h GLU 101 N -0.15 0.00 0.01 1.11 4.11 -1.41 -0.72 114.58 117.54 1s3f h GLU 101 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 1s3f h GLU 101 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1s3f h GLU 101 CO -0.29 0.13 -0.01 0.82 0.07 0.00 0.00 179.01 179.74 1s3f h ILE 102 N 0.00 1.23 -0.69 -1.06 2.04 -0.78 0.99 117.51 119.25 1s3f h ILE 102 Ca -0.00 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1s3f h ILE 102 Cb 0.70 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 1s3f h ILE 102 CO 0.02 0.19 0.31 1.23 0.00 0.00 0.00 178.15 179.90 1s3f h GLY 103 N -0.33 1.06 0.97 5.37 0.00 -1.08 0.38 103.07 109.44 1s3f h GLY 103 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1s3f h GLY 103 CO 0.00 0.49 0.19 -2.75 0.00 0.00 0.00 176.54 174.47 1s3f h PHE 104 N 0.98 0.76 -0.33 5.60 3.57 -1.00 -0.59 116.94 125.93 1s3f h PHE 104 Ca 0.24 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1s3f h PHE 104 Cb 0.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1s3f h PHE 104 CO 0.01 0.64 -0.40 0.52 -2.23 0.00 0.00 178.31 176.85 1s3f h MET 105 N 0.65 0.80 -0.15 1.11 2.86 -0.29 -2.80 114.93 117.11 1s3f h MET 105 Ca 0.16 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 1s3f h MET 105 Cb 0.21 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1s3f h MET 105 CO -0.01 1.05 -0.36 0.00 1.06 0.00 0.00 176.91 178.66 1s3f h ARG 106 N 0.65 0.32 0.00 1.72 2.47 -0.75 -1.34 114.38 117.44 1s3f h ARG 106 Ca 0.05 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1s3f h ARG 106 Cb 0.97 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 1s3f h ARG 106 CO 0.09 0.64 -0.19 0.00 0.56 0.00 0.00 179.97 181.07 1s3f h ALA 107 N 1.35 1.49 -0.10 0.04 0.00 -0.95 0.12 119.26 121.21 1s3f h ALA 107 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s3f h ALA 107 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1s3f h ALA 107 CO 0.06 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.21 1s3f n MET 108 N -4.02 1.48 -1.30 0.00 2.81 -0.81 -4.91 117.12 110.37 1s3f n MET 108 Ca -0.02 -0.72 -0.10 0.00 -1.81 0.00 0.00 57.70 55.05 1s3f n MET 108 Cb 0.27 -1.37 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.07 0.00 -3.21 2.03 -0.00 0.40 -5.01 115.22 109.36 1s3f n HIS 109 Ca 0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.55 1s3f n HIS 109 Cb 0.24 -2.10 -0.06 0.00 -0.00 0.00 0.00 29.99 28.07 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 -2.75 4.00 0.46 -0.41 1.02 -0.57 -5.00 119.74 116.49 1s3f s LYS 110 Ca 0.00 0.60 -0.23 0.00 0.02 0.00 0.00 55.97 56.37 1s3f s LYS 110 Cb 0.00 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1s3f s LYS 110 CO 0.00 0.26 1.17 -1.25 -0.92 0.00 0.00 175.35 174.61 1s3f s PRO 111 N -2.68 3.76 -0.10 -1.68 0.04 -1.26 -4.35 135.00 128.73 1s3f s PRO 111 Ca 0.49 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1s3f s PRO 111 Cb -0.12 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1s3f s PRO 111 CO 0.19 -0.55 -0.11 0.08 0.04 0.00 0.00 177.00 176.65 1s3f s VAL 112 N -1.54 1.19 -0.32 -0.36 1.01 -1.26 -1.70 120.40 117.41 1s3f s VAL 112 Ca 0.63 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1s3f s VAL 112 Cb -0.29 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1s3f s VAL 112 CO 0.35 0.38 0.23 -0.63 0.00 0.00 0.00 175.10 175.43 1s3f s ILE 113 N 1.21 5.29 -0.16 2.22 -1.09 0.14 -2.11 121.20 126.70 1s3f s ILE 113 Ca -0.04 -0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.16 1s3f s ILE 113 Cb -0.14 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1s3f s ILE 113 CO -0.03 0.06 0.31 -0.22 -1.23 0.00 0.00 174.94 173.83 1s3f s LEU 114 N 1.75 4.25 -0.63 2.97 2.96 0.40 -0.85 118.68 129.53 1s3f s LEU 114 Ca 0.07 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 1s3f s LEU 114 Cb -0.17 -2.40 0.16 0.00 0.50 0.00 0.00 46.19 44.27 1s3f s LEU 114 CO 0.11 0.09 0.40 -0.69 -1.32 0.00 0.00 176.35 174.94 1s3f s VAL 115 N 0.46 2.65 0.35 1.68 1.01 0.29 -0.93 120.40 125.91 1s3f s VAL 115 Ca 0.17 -3.85 -0.27 0.00 0.00 0.00 0.00 61.98 58.03 1s3f s VAL 115 Cb -0.13 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 1s3f s VAL 115 CO 0.04 -0.94 1.18 -2.16 0.00 0.00 0.00 175.10 173.22 1s3f s PRO 116 N -0.96 4.27 -0.01 2.72 0.04 -1.25 -1.18 135.00 138.63 1s3f s PRO 116 Ca 0.22 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1s3f s PRO 116 Cb -0.12 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 1s3f s PRO 116 CO -0.11 -0.15 -0.10 -0.06 0.04 0.00 0.00 177.00 176.62 1s3f s PHE 117 N -1.29 0.90 -0.10 0.56 0.08 0.64 -0.10 117.98 118.67 1s3f s PHE 117 Ca 0.52 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 1s3f s PHE 117 Cb -0.33 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1s3f s PHE 117 CO 0.42 -0.04 0.25 -0.08 -0.10 0.00 0.00 175.22 175.67 1s3f s THR 118 N -0.10 -0.00 -2.40 0.64 -1.32 -1.26 -0.36 115.64 110.83 1s3f s THR 118 Ca 0.02 0.02 0.22 0.00 -1.21 0.00 0.00 61.69 60.73 1s3f s THR 118 Cb -0.05 -0.36 0.43 0.00 -1.51 0.00 0.00 72.50 71.01 1s3f s THR 118 CO -0.00 0.01 1.45 -1.84 -2.21 0.00 0.00 174.62 172.02 1s3f n GLU 119 N 3.09 2.24 -3.32 7.08 0.00 -1.26 -4.51 120.64 123.96 1s3f n GLU 119 Ca -0.14 -1.87 -0.25 0.00 0.00 0.00 0.00 57.16 54.89 1s3f n GLU 119 Cb 0.58 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.47 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 1.09 1.04 0.32 -1.84 8.25 -1.26 -4.93 115.22 117.88 1s3f n HIS 120 Ca 0.18 -3.76 0.19 0.00 -0.26 0.00 0.00 57.72 54.07 1s3f n HIS 120 Cb 0.51 -0.37 1.06 0.00 1.12 0.00 0.00 29.99 32.30 1s3f n HIS 120 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1s3f h PRO 121 N 4.27 0.00 0.00 -0.41 0.11 -1.99 -0.26 132.00 133.72 1s3f h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1s3f h PRO 121 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1s3f h PRO 121 CO 0.58 0.01 0.00 1.05 -0.21 0.00 0.00 178.00 179.43 1s3f h GLU 122 N 0.00 0.00 -7.29 1.05 9.09 -1.98 -3.45 114.58 112.00 1s3f h GLU 122 Ca -0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1s3f h GLU 122 Cb 0.04 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 27.20 1s3f h GLU 122 CO 0.00 0.00 0.31 0.15 0.05 0.00 0.00 179.01 179.52 1s3f s LYS 123 N -3.33 3.08 0.37 1.06 1.02 -0.11 -5.01 119.74 116.82 1s3f s LYS 123 Ca 0.06 0.34 -0.25 0.00 0.02 0.00 0.00 55.97 56.14 1s3f s LYS 123 Cb 0.09 -2.14 -0.12 0.00 -0.52 0.00 0.00 37.83 35.14 1s3f s LYS 123 CO 0.53 -0.76 0.92 -1.91 -0.92 0.00 0.00 175.35 173.21 1s3f n GLU 124 N -2.75 1.20 -3.31 1.68 2.13 -1.26 -4.93 120.64 113.40 1s3f n GLU 124 Ca 0.05 0.43 -0.46 0.00 0.66 0.00 0.00 57.16 57.84 1s3f n GLU 124 Cb 0.56 -1.86 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 1s3f n GLU 124 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1s3f s LYS 125 N -1.76 3.14 0.02 5.31 1.02 -1.26 -5.02 119.74 121.20 1s3f s LYS 125 Ca 0.61 -1.88 0.02 0.00 0.02 0.00 0.00 55.97 54.74 1s3f s LYS 125 Cb -0.62 -4.33 -0.02 0.00 -0.52 0.00 0.00 37.83 32.34 1s3f s LYS 125 CO 0.58 -1.33 -0.07 0.15 -0.92 0.00 0.00 175.35 173.77 1s3f s LYS 126 N 1.29 0.48 0.01 1.68 1.02 -1.26 0.48 119.74 123.44 1s3f s LYS 126 Ca 0.07 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 1s3f s LYS 126 Cb -0.25 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1s3f s LYS 126 CO 0.00 0.07 0.05 1.41 -0.92 0.00 0.00 175.35 175.96 1s3f s MET 127 N -1.05 0.37 0.28 1.68 1.75 -0.01 -4.87 119.30 117.46 1s3f s MET 127 Ca -0.06 -0.46 -0.29 0.00 -1.25 0.00 0.00 55.69 53.63 1s3f s MET 127 Cb -0.07 0.15 -0.10 0.00 2.84 0.00 0.00 34.83 37.65 1s3f s MET 127 CO 0.00 -0.08 1.25 1.21 -0.65 0.00 0.00 175.02 176.75 1s3f s ASN 128 N -1.31 6.95 0.24 1.11 2.47 -1.26 -2.55 114.94 120.59 1s3f s ASN 128 Ca -0.14 2.49 -0.05 0.00 0.42 0.00 0.00 52.86 55.58 1s3f s ASN 128 Cb -0.08 -2.63 0.43 0.00 -1.45 0.00 0.00 41.25 37.52 1s3f s ASN 128 CO 0.00 -0.42 1.73 0.25 -3.72 0.00 0.00 177.10 174.94 1s3f h LEU 129 N 4.06 0.28 -1.28 3.21 5.85 -1.48 -0.57 115.31 125.38 1s3f h LEU 129 Ca -0.47 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1s3f h LEU 129 Cb 1.22 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1s3f h LEU 129 CO 0.69 0.11 0.51 0.24 -0.34 0.00 0.00 178.44 179.65 1s3f h MET 130 N 0.44 0.90 -0.00 1.25 2.86 -1.91 0.97 114.93 119.44 1s3f h MET 130 Ca 0.40 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1s3f h MET 130 Cb 0.59 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1s3f h MET 130 CO -0.39 0.59 -0.08 0.82 1.06 0.00 0.00 176.91 178.91 1s3f h ILE 131 N 0.93 1.59 -0.90 -1.22 1.08 -1.66 0.66 117.51 117.98 1s3f h ILE 131 Ca 0.31 -1.85 0.08 0.00 -0.39 0.00 0.00 64.86 63.02 1s3f h ILE 131 Cb 0.09 2.81 -0.06 0.00 -3.07 0.00 0.00 36.82 36.59 1s3f h ILE 131 CO -0.10 0.49 0.58 0.00 -0.69 0.00 0.00 178.15 178.44 1s3f h ALA 132 N 0.24 1.58 0.03 1.87 0.00 -0.81 -1.71 119.26 120.46 1s3f h ALA 132 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1s3f h ALA 132 Cb 0.85 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1s3f h ALA 132 CO 0.02 0.25 -1.96 0.94 0.00 0.00 0.00 179.25 178.50 1s3f n GLN 133 N -4.52 0.67 -0.18 0.00 -0.06 0.31 -4.27 117.38 109.33 1s3f n GLN 133 Ca 0.15 0.22 -0.06 0.00 -2.00 0.00 0.00 57.00 55.31 1s3f n GLN 133 Cb 0.26 -1.70 0.10 0.00 -4.06 0.00 0.00 30.24 24.84 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 2.98 1.05 -2.99 1.69 0.00 -0.66 -3.44 103.07 101.70 1s3f h GLY 134 Ca -0.39 -0.69 -0.51 0.00 0.00 0.00 0.00 47.33 45.73 1s3f h GLY 134 CO 0.06 0.64 0.53 0.14 0.00 0.00 0.00 176.54 177.91 1s3f s VAL 135 N -5.11 2.92 -0.06 4.60 1.01 -0.66 -4.84 120.40 118.26 1s3f s VAL 135 Ca -0.11 0.74 0.17 0.00 0.00 0.00 0.00 61.98 62.79 1s3f s VAL 135 Cb 0.15 -3.40 -0.26 0.00 0.00 0.00 0.00 36.38 32.86 1s3f s VAL 135 CO 0.83 0.04 0.32 0.35 0.00 0.00 0.00 175.10 176.64 1s3f n THR 136 N -0.24 0.26 -3.74 3.92 -2.24 -0.90 -4.76 114.28 106.58 1s3f n THR 136 Ca 0.06 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1s3f n THR 136 Cb 0.46 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.06 -0.03 -0.04 4.28 2.01 -1.04 -0.38 115.64 117.39 1s3f s THR 137 Ca -0.07 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.09 1s3f s THR 137 Cb 0.10 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1s3f s THR 137 CO 0.73 0.04 -0.19 -0.51 -0.69 0.00 0.00 174.62 174.00 1s3f s ILE 138 N 1.01 2.63 -0.23 1.82 2.07 -0.67 -0.45 121.20 127.38 1s3f s ILE 138 Ca -0.07 -0.89 -0.04 0.00 -1.41 0.00 0.00 60.65 58.25 1s3f s ILE 138 Cb -0.08 -1.99 0.08 0.00 0.13 0.00 0.00 42.46 40.60 1s3f s ILE 138 CO -0.07 0.59 0.09 -0.63 -1.91 0.00 0.00 174.94 173.01 1s3f s ILE 139 N -0.66 0.13 -0.18 2.00 1.01 -0.11 -4.93 121.20 118.47 1s3f s ILE 139 Ca 0.10 -0.56 -0.37 0.00 0.00 0.00 0.00 60.65 59.82 1s3f s ILE 139 Cb -0.10 -0.91 -0.13 0.00 0.01 0.00 0.00 42.46 41.33 1s3f s ILE 139 CO -0.00 -0.46 1.83 -0.67 0.00 0.00 0.00 174.94 175.64 1s3f n ASP 140 N 5.18 3.00 0.02 3.58 -0.08 -1.26 -3.89 116.55 123.10 1s3f n ASP 140 Ca -0.07 1.01 -0.05 0.00 -1.51 0.00 0.00 54.79 54.18 1s3f n ASP 140 Cb 0.46 -1.27 0.15 0.00 2.34 0.00 0.00 41.12 42.80 1s3f n ASP 140 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s3f h GLY 141 N 8.40 0.51 2.00 0.27 0.00 -0.73 0.19 103.07 113.71 1s3f h GLY 141 Ca -0.48 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.34 1s3f h GLY 141 CO 0.96 0.43 -0.15 3.43 0.00 0.00 0.00 176.54 181.21 1s3f h ASN 142 N 0.39 0.00 0.00 0.19 2.35 -1.88 -3.28 115.58 113.35 1s3f h ASN 142 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1s3f h ASN 142 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1s3f h ASN 142 CO 0.07 0.15 -0.67 0.41 -1.65 0.00 0.00 177.43 175.75 1s3f n THR 143 N -3.23 0.00 -0.87 2.81 -1.04 -1.18 -4.83 114.28 105.94 1s3f n THR 143 Ca 0.01 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.08 1s3f n THR 143 Cb 0.46 -0.11 0.08 0.00 -1.82 0.00 0.00 70.33 68.94 1s3f n THR 143 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s3f n GLU 144 N -1.22 1.55 -0.42 -2.82 1.02 0.64 -4.80 120.64 114.59 1s3f n GLU 144 Ca 0.00 -1.99 0.35 0.00 -0.02 0.00 0.00 57.16 55.50 1s3f n GLU 144 Cb 0.15 -1.20 0.66 0.00 -0.02 0.00 0.00 31.44 31.03 1s3f n GLU 144 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1s3f h PHE 145 N 0.00 0.37 0.00 -0.32 3.57 -1.49 0.42 116.94 119.50 1s3f h PHE 145 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1s3f h PHE 145 Cb 0.90 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1s3f h PHE 145 CO 0.01 -0.06 -0.05 0.93 -2.23 0.00 0.00 178.31 176.91 1s3f h GLU 146 N 0.14 0.00 -0.01 1.11 3.07 -1.89 -2.98 114.58 114.02 1s3f h GLU 146 Ca 0.72 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.58 1s3f h GLU 146 Cb 2.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.28 1s3f h GLU 146 CO -0.24 0.05 0.02 0.87 -1.40 0.00 0.00 179.01 178.30 1s3f h LYS 147 N 0.00 0.00 0.00 2.33 1.57 -0.54 -2.06 116.57 117.87 1s3f h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s3f h LYS 147 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1s3f h LYS 147 CO 0.01 0.00 0.15 -0.07 -0.57 0.00 0.00 179.45 178.96 1s3f h LEU 148 N 0.00 0.00 0.00 2.94 3.38 -1.70 0.78 115.31 120.71 1s3f h LEU 148 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s3f h LEU 148 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s3f h LEU 148 CO -0.00 0.00 -0.94 0.00 0.09 0.00 0.00 178.44 177.59 1s3f h ALA 149 N 1.69 0.50 0.00 1.53 0.00 -1.52 -3.38 119.26 118.08 1s3f h ALA 149 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1s3f h ALA 149 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s3f h ALA 149 CO 0.00 0.00 -1.86 -0.25 0.00 0.00 0.00 179.25 177.14 1s3f n ASP 150 N -2.55 1.36 -4.63 0.00 8.00 -0.09 -4.12 116.55 114.52 1s3f n ASP 150 Ca 0.01 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.03 1s3f n ASP 150 Cb 0.53 1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 42.90 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 -2.29 1.87 -2.54 1.24 9.36 0.07 -4.89 117.16 119.99 1s3f n TYR 151 Ca -0.13 0.48 -0.41 0.00 3.32 0.00 0.00 57.90 61.16 1s3f n TYR 151 Cb 0.68 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.94 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 0.51 6.26 0.00 2.98 3.84 -1.26 -4.81 114.94 122.45 1s3f s ASN 152 Ca 0.77 -0.79 0.13 0.00 0.21 0.00 0.00 52.86 53.19 1s3f s ASN 152 Cb -0.78 -2.56 0.80 0.00 -0.55 0.00 0.00 41.25 38.15 1s3f s ASN 152 CO 0.45 -1.74 1.48 0.49 -2.79 0.00 0.00 177.10 174.99 1s3f n PHE 153 N 9.30 0.00 0.31 0.43 3.72 -1.26 -0.69 117.46 129.28 1s3f n PHE 153 Ca 0.14 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.66 1s3f n PHE 153 Cb 0.50 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.88 -3.33 115.58 117.08 1s3f h ASN 154 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1s3f h ASN 154 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s3f h ASN 154 CO 0.00 0.03 -0.13 -0.62 -1.65 0.00 0.00 177.43 175.06 1s3f n GLU 155 N -2.55 3.29 -3.84 0.81 1.02 -1.12 -4.95 120.64 113.30 1s3f n GLU 155 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 1s3f n GLU 155 Cb 0.50 -0.40 0.01 0.00 -0.02 0.00 0.00 31.44 31.53 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 -5.62 4.12 0.69 0.00 0.04 -1.26 -4.96 135.00 128.01 1s3f s PRO 157 Ca 0.16 2.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 1s3f s PRO 157 Cb -0.09 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1s3f s PRO 157 CO 0.91 -0.59 1.06 -1.54 0.04 0.00 0.00 177.00 176.88 1s3f s SER 158 N 0.21 5.43 -0.42 6.66 1.04 -1.26 -4.82 113.70 120.53 1s3f s SER 158 Ca 0.59 1.51 0.07 0.00 0.48 0.00 0.00 55.95 58.59 1s3f s SER 158 Cb -0.47 -2.40 0.18 0.00 0.10 0.00 0.00 66.02 63.43 1s3f s SER 158 CO 0.55 -1.40 0.61 0.21 0.98 0.00 0.00 173.24 174.19 1s3f s ASN 159 N -3.92 -1.11 0.36 7.02 2.47 0.49 -4.93 114.94 115.32 1s3f s ASN 159 Ca 0.58 -1.09 -0.25 0.00 0.42 0.00 0.00 52.86 52.51 1s3f s ASN 159 Cb -0.13 1.72 -0.13 0.00 -1.45 0.00 0.00 41.25 41.27 1s3f s ASN 159 CO 0.55 -0.16 0.87 -2.65 -3.72 0.00 0.00 177.10 171.99 1s3f n PRO 160 N 4.12 1.09 -2.18 0.43 -0.02 -1.25 -1.67 135.00 135.51 1s3f n PRO 160 Ca 0.13 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1s3f n PRO 160 Cb 0.55 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.23 3.10 0.06 -1.45 1.01 -1.26 -4.79 120.40 115.83 1s3f s VAL 161 Ca 0.62 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.37 1s3f s VAL 161 Cb -0.64 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1s3f s VAL 161 CO 0.58 0.15 0.33 -0.13 0.00 0.00 0.00 175.10 176.03 1s3f s ARG 162 N -0.29 0.88 0.00 2.72 0.52 -1.26 -4.92 118.95 116.60 1s3f s ARG 162 Ca 0.56 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1s3f s ARG 162 Cb -0.37 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1s3f s ARG 162 CO 0.40 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1s3f n GLY 163 N 0.37 0.69 3.37 -3.53 0.00 -1.26 -5.04 105.19 99.79 1s3f n GLY 163 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.31 2.66 0.60 1.61 2.02 -1.26 -4.93 117.35 115.75 1s3f s TYR 164 Ca 0.00 -0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 56.01 1s3f s TYR 164 Cb 0.00 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1s3f s TYR 164 CO 0.00 -0.08 1.18 0.20 -1.57 0.00 0.00 175.55 175.28 1s3f s GLY 165 N -0.17 2.65 -0.07 0.71 0.00 0.18 -4.78 107.32 105.83 1s3f s GLY 165 Ca -0.01 0.93 0.05 0.00 0.00 0.00 0.00 44.72 45.68 1s3f s GLY 165 CO 0.03 1.31 -0.23 -0.42 0.00 0.00 0.00 173.10 173.80 1s3f s ILE 166 N -1.71 1.92 0.00 0.90 1.01 -1.26 -0.83 121.20 121.22 1s3f s ILE 166 Ca 0.75 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1s3f s ILE 166 Cb -0.28 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1s3f s ILE 166 CO 0.33 0.53 0.20 0.00 0.00 0.00 0.00 174.94 176.00