#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i98 s ASN 2 N 0.00 5.72 0.51 3.17 3.04 -1.26 -4.54 114.94 121.58 3i98 s ASN 2 Ca 0.00 -1.38 0.17 0.00 0.04 0.00 0.00 52.86 51.69 3i98 s ASN 2 Cb 0.00 -2.02 1.27 0.00 -1.54 0.00 0.00 41.25 38.96 3i98 s ASN 2 CO 0.00 -0.52 2.12 -0.65 -3.04 0.00 0.00 177.10 175.00 3i98 h PRO 3 N 8.46 0.04 -0.90 0.43 0.11 -1.92 -1.34 132.00 136.87 3i98 h PRO 3 Ca -0.24 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.91 3i98 h PRO 3 Cb 1.09 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3i98 h PRO 3 CO 0.76 0.02 0.58 0.35 -0.21 0.00 0.00 178.00 179.50 3i98 h PHE 4 N 0.04 1.08 0.00 0.65 3.57 -1.93 -2.26 116.94 118.09 3i98 h PHE 4 Ca 0.05 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 3i98 h PHE 4 Cb 0.17 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3i98 h PHE 4 CO -0.00 0.60 -1.21 0.45 -2.23 0.00 0.00 178.31 175.92 3i98 h HIS 5 N 1.10 0.00 0.06 0.41 3.86 -1.70 -1.43 115.15 117.46 3i98 h HIS 5 Ca 0.37 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.27 3i98 h HIS 5 Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3i98 h HIS 5 CO -0.02 0.66 -1.71 0.93 0.86 0.00 0.00 177.93 178.64 3i98 h GLU 6 N 0.00 0.13 -6.83 2.45 3.07 -1.17 -3.46 114.58 108.77 3i98 h GLU 6 Ca -0.13 -0.22 -0.48 0.00 -0.50 0.00 0.00 59.36 58.03 3i98 h GLU 6 Cb 1.61 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.59 3i98 h GLU 6 CO 0.06 0.86 0.30 -0.51 -1.40 0.00 0.00 179.01 178.33 3i98 s LEU 7 N -6.59 4.33 0.75 1.33 1.43 -0.87 -5.06 118.68 114.02 3i98 s LEU 7 Ca -0.10 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 3i98 s LEU 7 Cb 0.07 -3.95 0.05 0.00 0.03 0.00 0.00 46.19 42.39 3i98 s LEU 7 CO 0.82 -0.05 1.09 -1.61 0.23 0.00 0.00 176.35 176.82 3i98 s GLU 8 N -2.06 2.39 0.57 1.70 8.01 -1.26 -4.19 118.70 123.86 3i98 s GLU 8 Ca 0.49 1.16 0.32 0.00 0.01 0.00 0.00 54.97 56.95 3i98 s GLU 8 Cb -0.18 -1.91 1.71 0.00 -4.31 0.00 0.00 34.13 29.43 3i98 s GLU 8 CO 0.23 -1.54 2.16 -1.35 0.01 0.00 0.00 175.26 174.77 3i98 h PRO 9 N -0.98 0.00 0.00 0.39 0.11 -1.87 -3.42 132.00 126.22 3i98 h PRO 9 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i98 h PRO 9 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i98 h PRO 9 CO 0.52 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 3i98 n GLY 10 N -0.81 1.34 0.19 -0.55 0.00 -1.26 -0.92 105.19 103.18 3i98 n GLY 10 Ca -0.02 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.28 3i98 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i98 h PRO 11 N 0.00 0.00 -0.91 1.61 0.13 -1.88 -3.40 132.00 127.56 3i98 h PRO 11 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 3i98 h PRO 11 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 3i98 h PRO 11 CO 0.00 0.12 -0.78 -1.91 -0.23 0.00 0.00 178.00 175.19 3i98 n GLU 12 N -3.10 0.96 -1.94 0.86 2.13 -1.13 -5.04 120.64 113.39 3i98 n GLU 12 Ca 0.03 -2.56 -0.41 0.00 0.66 0.00 0.00 57.16 54.88 3i98 n GLU 12 Cb 0.58 -1.34 -0.01 0.00 0.27 0.00 0.00 31.44 30.94 3i98 n GLU 12 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i98 s VAL 13 N -0.84 2.36 -1.13 6.31 1.01 -1.20 -1.03 120.40 125.87 3i98 s VAL 13 Ca 0.31 0.35 0.18 0.00 0.00 0.00 0.00 61.98 62.82 3i98 s VAL 13 Cb 0.30 -3.22 0.74 0.00 0.00 0.00 0.00 36.38 34.20 3i98 s VAL 13 CO -0.08 0.08 1.65 -0.81 0.00 0.00 0.00 175.10 175.94 3i98 n PRO 14 N 0.90 3.83 -0.02 2.72 -0.04 -1.26 -4.87 135.00 136.25 3i98 n PRO 14 Ca 0.02 -2.93 -0.13 0.00 -0.04 0.00 0.00 63.50 60.42 3i98 n PRO 14 Cb 0.40 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 3i98 n PRO 14 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i98 h GLU 15 N 4.19 0.69 -3.96 0.54 4.39 -1.46 -3.43 114.58 115.55 3i98 h GLU 15 Ca 0.00 -0.48 -0.46 0.00 0.34 0.00 0.00 59.36 58.75 3i98 h GLU 15 Cb 1.49 0.07 -0.37 0.00 -0.10 0.00 0.00 28.75 29.85 3i98 h GLU 15 CO 0.25 1.10 -0.78 0.08 -1.16 0.00 0.00 179.01 178.50 3i98 s VAL 16 N -3.92 0.64 0.38 3.13 1.01 -0.45 -4.20 120.40 116.99 3i98 s VAL 16 Ca -0.09 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3i98 s VAL 16 Cb 0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 3i98 s VAL 16 CO 0.87 0.29 -0.00 0.68 0.00 0.00 0.00 175.10 176.94 3i98 s VAL 17 N 1.65 2.24 -0.09 2.92 -7.23 -0.10 -2.84 120.40 116.94 3i98 s VAL 17 Ca 0.01 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 3i98 s VAL 17 Cb -0.13 -2.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 3i98 s VAL 17 CO -0.05 -0.10 0.46 -0.31 -0.31 0.00 0.00 175.10 174.79 3i98 s TYR 18 N -2.63 3.56 -0.24 2.82 4.12 -0.10 -0.84 117.35 124.05 3i98 s TYR 18 Ca 0.35 0.90 -0.08 0.00 0.02 0.00 0.00 57.07 58.26 3i98 s TYR 18 Cb 0.05 -2.49 -0.04 0.00 -1.52 0.00 0.00 41.96 37.96 3i98 s TYR 18 CO 0.18 0.27 0.10 0.00 0.02 0.00 0.00 175.55 176.12 3i98 s ALA 19 N 0.25 3.34 -0.46 3.71 0.00 0.36 -4.28 121.76 124.69 3i98 s ALA 19 Ca 0.25 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 3i98 s ALA 19 Cb -0.15 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 20.88 3i98 s ALA 19 CO 0.11 -0.29 0.42 -1.17 0.00 0.00 0.00 175.76 174.83 3i98 s LEU 20 N 1.25 5.29 0.11 0.00 2.96 -0.07 -0.91 118.68 127.31 3i98 s LEU 20 Ca 0.05 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.60 3i98 s LEU 20 Cb -0.14 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.23 3i98 s LEU 20 CO 0.04 -0.64 1.06 -0.63 -1.32 0.00 0.00 176.35 174.87 3i98 s ILE 21 N 1.89 4.24 -0.16 6.68 -1.09 -0.66 -1.67 121.20 130.43 3i98 s ILE 21 Ca 0.07 1.78 0.06 0.00 -2.23 0.00 0.00 60.65 60.33 3i98 s ILE 21 Cb -0.21 -4.14 -0.14 0.00 -1.58 0.00 0.00 42.46 36.39 3i98 s ILE 21 CO 0.09 0.24 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.34 3i98 n GLU 22 N 3.05 0.95 -3.88 2.79 1.02 0.13 0.16 120.64 124.86 3i98 n GLU 22 Ca 0.04 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.97 3i98 n GLU 22 Cb 0.48 -1.35 -0.17 0.00 -0.02 0.00 0.00 31.44 30.38 3i98 n GLU 22 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i98 s ILE 23 N -2.35 1.02 0.54 -3.67 1.01 -0.08 -4.67 121.20 113.00 3i98 s ILE 23 Ca -0.17 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 3i98 s ILE 23 Cb 0.05 -1.19 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 3i98 s ILE 23 CO 0.47 0.15 1.06 -2.84 0.00 0.00 0.00 174.94 173.78 3i98 s PRO 24 N 1.68 3.53 0.25 2.79 0.02 -1.26 -0.20 135.00 141.80 3i98 s PRO 24 Ca 0.02 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.06 3i98 s PRO 24 Cb -0.15 -2.05 -0.12 0.00 0.02 0.00 0.00 34.50 32.19 3i98 s PRO 24 CO -0.08 -0.66 1.59 1.17 -0.33 0.00 0.00 177.00 178.70 3i98 n LYS 25 N -1.45 2.53 0.00 5.54 4.81 -1.23 -2.46 118.16 125.89 3i98 n LYS 25 Ca 0.09 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 3i98 n LYS 25 Cb 0.52 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3i98 n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i98 n GLY 26 N 2.74 0.36 3.75 3.14 0.00 -0.10 -4.84 105.19 110.24 3i98 n GLY 26 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3i98 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i98 s SER 27 N -2.10 7.24 0.11 1.61 0.15 -1.03 -4.72 113.70 114.97 3i98 s SER 27 Ca 0.00 1.48 0.23 0.00 0.70 0.00 0.00 55.95 58.36 3i98 s SER 27 Cb 0.00 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3i98 s SER 27 CO 0.00 0.04 0.92 -1.14 1.20 0.00 0.00 173.24 174.27 3i98 n ARG 28 N 2.61 0.54 -2.58 5.44 0.63 -1.26 -1.64 116.66 120.39 3i98 n ARG 28 Ca -0.03 0.02 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 3i98 n ARG 28 Cb 0.50 -1.70 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 3i98 n ARG 28 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3i98 s ASN 29 N -4.81 7.24 -0.41 6.15 0.01 -1.26 -2.10 114.94 119.76 3i98 s ASN 29 Ca -0.01 1.82 -0.15 0.00 -0.71 0.00 0.00 52.86 53.80 3i98 s ASN 29 Cb 0.12 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.22 3i98 s ASN 29 CO 0.82 -0.35 0.33 -0.75 -1.51 0.00 0.00 177.10 175.63 3i98 s LYS 30 N 1.03 3.04 0.18 -0.60 2.20 0.26 -4.97 119.74 120.87 3i98 s LYS 30 Ca 0.55 -0.93 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 3i98 s LYS 30 Cb -0.25 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 3i98 s LYS 30 CO 0.29 -0.75 0.31 0.71 -0.36 0.00 0.00 175.35 175.54 3i98 s TYR 31 N 1.79 3.48 0.16 4.03 1.51 -1.26 -0.12 117.35 126.94 3i98 s TYR 31 Ca 0.07 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.18 3i98 s TYR 31 Cb -0.18 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3i98 s TYR 31 CO 0.11 0.49 0.17 -1.83 -1.11 0.00 0.00 175.55 173.38 3i98 s GLU 32 N -3.44 1.10 -0.11 -0.62 -1.05 -0.21 -4.77 118.70 109.60 3i98 s GLU 32 Ca 0.35 -1.38 -0.27 0.00 -0.15 0.00 0.00 54.97 53.52 3i98 s GLU 32 Cb -0.10 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 3i98 s GLU 32 CO 0.29 -0.36 0.87 -0.51 0.95 0.00 0.00 175.26 176.50 3i98 s LEU 33 N -3.04 4.25 0.14 1.83 1.02 -1.26 -0.42 118.68 121.21 3i98 s LEU 33 Ca 0.25 1.35 -0.31 0.00 0.02 0.00 0.00 54.13 55.43 3i98 s LEU 33 Cb 0.05 -3.34 -0.10 0.00 0.02 0.00 0.00 46.19 42.82 3i98 s LEU 33 CO 0.04 -0.33 1.63 -0.62 0.02 0.00 0.00 176.35 177.08 3i98 s ASP 34 N 1.05 6.55 0.25 2.29 2.15 0.11 -4.89 116.67 124.17 3i98 s ASP 34 Ca 0.43 2.63 -0.02 0.00 0.43 0.00 0.00 52.55 56.01 3i98 s ASP 34 Cb -0.18 -2.58 0.31 0.00 -0.30 0.00 0.00 42.92 40.16 3i98 s ASP 34 CO 0.17 -0.87 1.74 0.11 -0.17 0.00 0.00 175.17 176.15 3i98 h LYS 35 N 7.31 0.79 0.37 4.34 1.79 -1.95 0.10 116.57 129.32 3i98 h LYS 35 Ca -0.43 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 57.79 3i98 h LYS 35 Cb 1.20 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3i98 h LYS 35 CO 0.93 0.82 -0.18 0.87 -1.08 0.00 0.00 179.45 180.81 3i98 h LYS 36 N 0.73 -0.48 0.00 3.15 1.79 -1.97 -3.39 116.57 116.40 3i98 h LYS 36 Ca 0.14 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3i98 h LYS 36 Cb 0.49 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3i98 h LYS 36 CO 0.02 -0.17 -1.85 0.25 -1.08 0.00 0.00 179.45 176.63 3i98 n THR 37 N -5.13 0.00 -0.95 -0.16 -2.24 -1.23 -4.94 114.28 99.63 3i98 n THR 37 Ca -0.09 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3i98 n THR 37 Cb 0.27 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3i98 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i98 n GLY 38 N 1.37 0.61 3.82 3.38 0.00 0.02 -4.50 105.19 109.88 3i98 n GLY 38 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3i98 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i98 s LEU 39 N 0.00 3.61 0.28 0.99 1.43 -1.26 -4.67 118.68 119.06 3i98 s LEU 39 Ca 0.00 1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.52 3i98 s LEU 39 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 3i98 s LEU 39 CO 0.00 -0.83 1.36 -0.22 0.23 0.00 0.00 176.35 176.89 3i98 s LEU 40 N -4.13 4.41 0.01 1.79 2.96 -1.26 0.05 118.68 122.51 3i98 s LEU 40 Ca 0.62 2.64 0.03 0.00 -0.22 0.00 0.00 54.13 57.20 3i98 s LEU 40 Cb -0.13 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 3i98 s LEU 40 CO 0.31 -0.60 -0.11 -0.75 -1.32 0.00 0.00 176.35 173.89 3i98 s LYS 41 N -0.99 0.79 -0.21 1.98 2.20 0.44 -4.82 119.74 119.12 3i98 s LYS 41 Ca 0.54 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 3i98 s LYS 41 Cb -0.40 -0.75 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 3i98 s LYS 41 CO 0.47 0.19 1.31 -1.17 -0.36 0.00 0.00 175.35 175.80 3i98 s LEU 42 N -0.68 4.06 -0.14 5.43 2.96 -1.26 -1.04 118.68 128.01 3i98 s LEU 42 Ca 0.01 1.53 -0.20 0.00 -0.22 0.00 0.00 54.13 55.25 3i98 s LEU 42 Cb -0.06 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.92 3i98 s LEU 42 CO 0.00 -0.92 0.47 -0.78 -1.32 0.00 0.00 176.35 173.81 3i98 h ASP 43 N 8.82 0.00 -5.11 3.68 3.58 -0.83 -3.47 116.42 123.08 3i98 h ASP 43 Ca -0.27 -0.65 0.12 0.00 0.42 0.00 0.00 57.03 56.65 3i98 h ASP 43 Cb 1.11 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 3i98 h ASP 43 CO 0.99 0.92 0.39 0.00 -2.88 0.00 0.00 179.24 178.66 3i98 s ARG 44 N -2.07 1.32 -0.18 0.28 1.70 -1.04 -5.03 118.95 113.93 3i98 s ARG 44 Ca -0.15 -0.69 -0.14 0.00 -0.47 0.00 0.00 55.73 54.28 3i98 s ARG 44 Cb -0.01 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 3i98 s ARG 44 CO 0.48 -0.60 0.30 0.08 -1.08 0.00 0.00 175.30 174.48 3i98 s VAL 45 N -3.48 5.29 0.30 4.99 1.01 -1.26 -0.57 120.40 126.67 3i98 s VAL 45 Ca 0.10 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 3i98 s VAL 45 Cb -0.03 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3i98 s VAL 45 CO 0.01 0.35 1.35 0.18 0.00 0.00 0.00 175.10 176.99 3i98 n LEU 46 N 3.87 3.47 0.12 3.92 4.77 -0.89 -4.85 117.00 127.41 3i98 n LEU 46 Ca -0.11 1.18 0.12 0.00 -0.03 0.00 0.00 56.01 57.16 3i98 n LEU 46 Cb 0.52 -1.47 0.48 0.00 -2.33 0.00 0.00 43.42 40.61 3i98 n LEU 46 CO 0.39 -0.43 0.85 -1.22 -1.33 0.00 0.00 177.39 175.65 3i98 n TYR 47 N 1.01 0.78 -4.44 -1.77 4.02 -1.26 -4.74 117.16 110.76 3i98 n TYR 47 Ca 0.07 0.30 -0.24 0.00 -0.01 0.00 0.00 57.90 58.02 3i98 n TYR 47 Cb 0.35 -0.98 -0.11 0.00 -0.02 0.00 0.00 39.34 38.58 3i98 n TYR 47 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i98 s SER 48 N -4.20 3.41 -1.50 7.72 0.01 -1.26 -5.02 113.70 112.86 3i98 s SER 48 Ca 0.05 -0.98 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 3i98 s SER 48 Cb 0.10 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3i98 s SER 48 CO 0.40 0.04 2.56 -0.81 0.41 0.00 0.00 173.24 175.84 3i98 n PRO 49 N -0.32 3.62 -3.53 12.44 -0.04 -1.26 -4.86 135.00 141.06 3i98 n PRO 49 Ca -0.08 -2.66 -0.19 0.00 -0.04 0.00 0.00 63.50 60.54 3i98 n PRO 49 Cb 0.59 -2.91 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 3i98 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i98 s PHE 50 N 1.70 3.14 0.04 0.54 0.08 -1.26 -5.14 117.98 117.08 3i98 s PHE 50 Ca 0.58 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.45 3i98 s PHE 50 Cb 0.16 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3i98 s PHE 50 CO -0.07 0.04 -0.08 -0.59 -0.10 0.00 0.00 175.22 174.42 3i98 s PHE 51 N -2.16 0.72 0.12 0.36 -0.12 -1.26 -4.39 117.98 111.24 3i98 s PHE 51 Ca 0.44 -0.46 -0.32 0.00 -0.05 0.00 0.00 56.93 56.54 3i98 s PHE 51 Cb -0.09 -0.43 -0.12 0.00 -0.63 0.00 0.00 43.02 41.75 3i98 s PHE 51 CO 0.31 -0.06 1.78 0.66 -0.05 0.00 0.00 175.22 177.85 3i98 n TYR 52 N 1.58 2.54 1.32 3.49 4.02 -0.65 -4.80 117.16 124.65 3i98 n TYR 52 Ca -0.22 -0.02 0.14 0.00 -0.01 0.00 0.00 57.90 57.79 3i98 n TYR 52 Cb 0.55 -2.68 0.56 0.00 -0.02 0.00 0.00 39.34 37.75 3i98 n TYR 52 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i98 n PRO 53 N 5.08 0.56 -4.08 -0.72 -0.04 -1.26 -0.92 135.00 133.62 3i98 n PRO 53 Ca 0.18 -0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 3i98 n PRO 53 Cb 0.34 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 3i98 n PRO 53 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i98 s VAL 54 N -2.58 0.10 -0.21 0.52 -7.23 -1.26 -4.91 120.40 104.82 3i98 s VAL 54 Ca 0.25 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 3i98 s VAL 54 Cb 0.20 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3i98 s VAL 54 CO 0.50 -0.44 1.02 -1.81 -0.31 0.00 0.00 175.10 174.06 3i98 s ASP 55 N -3.01 7.10 -0.10 4.85 1.11 -0.76 -3.56 116.67 122.30 3i98 s ASP 55 Ca 0.20 1.37 0.02 0.00 0.18 0.00 0.00 52.55 54.33 3i98 s ASP 55 Cb 0.06 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.50 3i98 s ASP 55 CO 0.00 -0.63 -0.16 -0.47 1.18 0.00 0.00 175.17 175.10 3i98 s TYR 56 N 3.01 2.72 0.00 4.23 5.04 0.72 -0.55 117.35 132.51 3i98 s TYR 56 Ca 0.44 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 3i98 s TYR 56 Cb -0.15 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.41 3i98 s TYR 56 CO 0.08 -0.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.59 3i98 n GLY 57 N 3.09 2.65 3.22 8.97 0.00 -0.08 0.18 105.19 123.23 3i98 n GLY 57 Ca -0.18 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3i98 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i98 s ILE 58 N -1.69 1.04 -0.19 -0.61 -4.36 -0.67 -0.80 121.20 113.92 3i98 s ILE 58 Ca 0.00 -1.90 -0.17 0.00 -0.26 0.00 0.00 60.65 58.32 3i98 s ILE 58 Cb 0.00 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 3i98 s ILE 58 CO 0.00 -0.69 0.45 -0.63 0.24 0.00 0.00 174.94 174.31 3i98 s ILE 59 N -3.04 5.16 0.73 8.37 1.01 -0.67 -0.89 121.20 131.87 3i98 s ILE 59 Ca 0.12 0.82 -0.15 0.00 0.00 0.00 0.00 60.65 61.44 3i98 s ILE 59 Cb 0.01 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.74 3i98 s ILE 59 CO -0.00 0.23 1.19 -2.84 0.00 0.00 0.00 174.94 173.51 3i98 s PRO 60 N 1.37 2.19 -1.51 2.79 0.02 -1.26 -3.25 135.00 135.34 3i98 s PRO 60 Ca 0.21 1.68 -0.10 0.00 0.02 0.00 0.00 61.00 62.81 3i98 s PRO 60 Cb -0.15 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.60 3i98 s PRO 60 CO 0.09 -1.78 0.81 1.04 -0.33 0.00 0.00 177.00 176.83 3i98 n GLN 61 N -2.76 -4.58 -4.32 5.54 6.02 -0.54 -3.82 117.38 112.92 3i98 n GLN 61 Ca 0.13 0.52 -0.17 0.00 -0.01 0.00 0.00 57.00 57.47 3i98 n GLN 61 Cb 0.51 -5.21 -0.10 0.00 1.02 0.00 0.00 30.24 26.46 3i98 n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3i98 s THR 62 N -3.46 1.49 -0.16 5.09 -4.23 -1.20 -4.55 115.64 108.62 3i98 s THR 62 Ca 0.47 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 3i98 s THR 62 Cb -0.24 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.61 3i98 s THR 62 CO 0.86 -0.60 0.41 0.86 -0.54 0.00 0.00 174.62 175.60 3i98 s TRP 63 N -3.13 -0.47 0.46 3.99 -0.11 -0.69 -4.24 118.94 114.74 3i98 s TRP 63 Ca 0.22 1.13 0.03 0.00 1.22 0.00 0.00 56.10 58.70 3i98 s TRP 63 Cb 0.01 0.17 -0.04 0.00 -1.50 0.00 0.00 33.47 32.11 3i98 s TRP 63 CO 0.05 -0.24 0.02 -0.47 -4.62 0.00 0.00 176.95 171.70 3i98 s TYR 64 N 0.40 2.08 0.63 5.86 5.04 0.01 -4.36 117.35 127.00 3i98 s TYR 64 Ca -0.02 -0.89 0.36 0.00 -2.44 0.00 0.00 57.07 54.08 3i98 s TYR 64 Cb -0.04 -1.61 2.04 0.00 0.35 0.00 0.00 41.96 42.71 3i98 s TYR 64 CO -0.02 0.24 2.26 -0.44 -1.34 0.00 0.00 175.55 176.26 3i98 h ASP 65 N 1.58 0.00 -0.31 4.32 5.19 -1.86 -0.85 116.42 124.48 3i98 h ASP 65 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3i98 h ASP 65 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3i98 h ASP 65 CO 0.75 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.97 3i98 n ASP 66 N -3.48 1.88 -0.79 6.45 5.75 -1.26 -4.82 116.55 120.28 3i98 n ASP 66 Ca -0.02 -1.91 -0.05 0.00 -0.01 0.00 0.00 54.79 52.80 3i98 n ASP 66 Cb 0.13 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 3i98 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i98 n GLY 67 N 1.10 0.35 3.27 6.12 0.00 -0.32 -5.01 105.19 110.70 3i98 n GLY 67 Ca 0.13 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3i98 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 68 N -2.90 0.14 0.72 1.61 1.01 -1.26 -4.95 116.67 111.04 3i98 s ASP 68 Ca 0.05 -1.02 -0.16 0.00 0.71 0.00 0.00 52.55 52.13 3i98 s ASP 68 Cb -0.02 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.30 3i98 s ASP 68 CO 0.06 -0.84 0.95 -2.65 0.21 0.00 0.00 175.17 172.90 3i98 n PRO 69 N -0.18 0.51 -2.48 8.23 -0.02 -1.26 -0.81 135.00 138.99 3i98 n PRO 69 Ca -0.06 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3i98 n PRO 69 Cb 0.63 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3i98 n PRO 69 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i98 s PHE 70 N -1.81 3.32 0.35 6.00 5.99 -1.26 -4.72 117.98 125.85 3i98 s PHE 70 Ca 0.73 1.30 -0.25 0.00 0.00 0.00 0.00 56.93 58.71 3i98 s PHE 70 Cb -0.35 -3.38 -0.10 0.00 0.00 0.00 0.00 43.02 39.19 3i98 s PHE 70 CO 0.50 -1.14 0.98 -0.51 -0.00 0.00 0.00 175.22 175.05 3i98 s ASP 71 N 1.30 7.15 -0.01 6.13 1.01 -1.26 -1.67 116.67 129.32 3i98 s ASP 71 Ca 0.56 1.89 0.01 0.00 0.71 0.00 0.00 52.55 55.72 3i98 s ASP 71 Cb -0.25 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.10 3i98 s ASP 71 CO 0.25 -0.21 -0.03 -0.51 0.21 0.00 0.00 175.17 174.88 3i98 s ILE 72 N -1.67 0.25 -0.18 0.77 2.07 0.02 -1.50 121.20 120.97 3i98 s ILE 72 Ca 0.53 -0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.65 3i98 s ILE 72 Cb -0.19 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 3i98 s ILE 72 CO 0.24 0.09 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.24 3i98 s MET 73 N 0.11 3.41 -0.15 3.50 -1.94 0.11 -0.90 119.30 123.44 3i98 s MET 73 Ca -0.01 -0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 53.33 3i98 s MET 73 Cb -0.03 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.95 3i98 s MET 73 CO -0.00 0.02 -0.13 0.08 -0.01 0.00 0.00 175.02 174.97 3i98 s VAL 74 N 0.89 2.90 -0.47 -6.03 1.01 0.29 -0.36 120.40 118.62 3i98 s VAL 74 Ca -0.02 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3i98 s VAL 74 Cb -0.15 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3i98 s VAL 74 CO 0.01 0.51 1.10 -0.63 0.00 0.00 0.00 175.10 176.08 3i98 s ILE 75 N 0.65 4.26 0.01 2.22 1.01 -0.70 -1.83 121.20 126.81 3i98 s ILE 75 Ca -0.07 1.13 0.07 0.00 0.00 0.00 0.00 60.65 61.78 3i98 s ILE 75 Cb -0.16 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 3i98 s ILE 75 CO 0.02 -0.98 -0.21 -0.04 0.00 0.00 0.00 174.94 173.74 3i98 s MET 76 N 4.32 2.11 0.03 2.79 -1.94 -1.26 -4.33 119.30 121.02 3i98 s MET 76 Ca 0.46 -0.94 -0.19 0.00 -1.71 0.00 0.00 55.69 53.31 3i98 s MET 76 Cb -0.08 -2.15 -0.18 0.00 2.01 0.00 0.00 34.83 34.44 3i98 s MET 76 CO 0.31 0.56 1.23 0.00 -0.01 0.00 0.00 175.02 177.11 3i98 h ARG 77 N 4.97 0.46 -5.09 2.03 3.08 -2.03 -3.42 114.38 114.39 3i98 h ARG 77 Ca -0.46 -0.36 -0.66 0.00 0.07 0.00 0.00 59.98 58.58 3i98 h ARG 77 Cb 1.14 0.07 -0.28 0.00 0.08 0.00 0.00 29.97 30.98 3i98 h ARG 77 CO 0.47 0.98 -0.75 -2.00 -1.07 0.00 0.00 179.97 177.61 3i98 s GLU 78 N -3.75 3.34 0.68 0.04 2.12 -1.26 -5.11 118.70 114.77 3i98 s GLU 78 Ca -0.13 -0.66 -0.16 0.00 0.36 0.00 0.00 54.97 54.38 3i98 s GLU 78 Cb 0.05 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.58 3i98 s GLU 78 CO 0.80 -0.09 1.21 -2.14 -0.54 0.00 0.00 175.26 174.50 3i98 s PRO 79 N 1.16 2.46 0.43 4.30 0.02 -1.26 -5.04 135.00 137.07 3i98 s PRO 79 Ca 0.02 1.77 0.04 0.00 0.02 0.00 0.00 61.00 62.85 3i98 s PRO 79 Cb -0.14 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.58 3i98 s PRO 79 CO -0.02 -1.59 0.59 1.33 -0.33 0.00 0.00 177.00 176.97 3i98 n VAL 80 N -2.32 0.00 -3.19 3.83 0.24 -1.26 -5.02 118.33 110.61 3i98 n VAL 80 Ca 0.13 -1.23 -0.28 0.00 -2.04 0.00 0.00 64.34 60.92 3i98 n VAL 80 Cb 0.50 -0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 3i98 n VAL 80 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3i98 s TYR 81 N -1.62 3.49 0.57 6.34 1.51 -1.26 -4.61 117.35 121.76 3i98 s TYR 81 Ca 0.42 0.70 -0.20 0.00 -1.01 0.00 0.00 57.07 56.98 3i98 s TYR 81 Cb -0.03 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 3i98 s TYR 81 CO 0.27 0.07 1.21 -2.30 -1.11 0.00 0.00 175.55 173.70 3i98 n PRO 82 N -1.22 1.35 -1.24 -1.71 -0.02 -1.26 -2.41 135.00 128.49 3i98 n PRO 82 Ca -0.01 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 3i98 n PRO 82 Cb 0.54 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3i98 n PRO 82 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i98 n LEU 83 N -0.94 -0.52 -4.78 2.45 4.77 0.12 -5.01 117.00 113.09 3i98 n LEU 83 Ca 0.12 0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.91 3i98 n LEU 83 Cb 0.45 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 3i98 n LEU 83 CO 0.52 -0.50 0.34 -0.89 -1.33 0.00 0.00 177.39 175.52 3i98 s THR 84 N -2.23 4.73 -0.09 -5.08 2.01 -1.01 -4.84 115.64 109.13 3i98 s THR 84 Ca 0.00 1.36 -0.22 0.00 0.31 0.00 0.00 61.69 63.15 3i98 s THR 84 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3i98 s THR 84 CO 0.00 0.48 0.64 -0.63 -0.69 0.00 0.00 174.62 174.41 3i98 s ILE 85 N -0.65 5.08 -0.11 1.82 1.01 -1.26 -1.66 121.20 125.43 3i98 s ILE 85 Ca 0.32 1.29 0.03 0.00 0.00 0.00 0.00 60.65 62.29 3i98 s ILE 85 Cb -0.20 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3i98 s ILE 85 CO 0.20 0.25 -0.21 -0.63 0.00 0.00 0.00 174.94 174.55 3i98 s ILE 86 N 0.88 1.88 -0.19 2.92 1.01 -0.08 -4.96 121.20 122.67 3i98 s ILE 86 Ca 0.34 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 3i98 s ILE 86 Cb -0.17 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3i98 s ILE 86 CO 0.15 0.52 1.17 -1.61 0.00 0.00 0.00 174.94 175.17 3i98 s GLU 87 N 0.57 4.25 0.00 2.79 2.02 -1.26 -0.49 118.70 126.59 3i98 s GLU 87 Ca -0.14 1.54 0.05 0.00 0.02 0.00 0.00 54.97 56.44 3i98 s GLU 87 Cb -0.17 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.34 3i98 s GLU 87 CO 0.04 -0.66 -0.16 0.00 0.02 0.00 0.00 175.26 174.51 3i98 s ALA 88 N 3.31 1.31 -0.27 5.21 0.00 -0.02 -1.33 121.76 129.97 3i98 s ALA 88 Ca 0.50 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 3i98 s ALA 88 Cb -0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3i98 s ALA 88 CO 0.12 0.30 0.33 0.50 0.00 0.00 0.00 175.76 177.01 3i98 s ARG 89 N -0.59 4.00 0.20 0.00 3.52 0.81 -0.92 118.95 125.96 3i98 s ARG 89 Ca 0.05 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 3i98 s ARG 89 Cb -0.07 -3.66 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 3i98 s ARG 89 CO 0.00 -0.26 1.39 -2.14 -0.81 0.00 0.00 175.30 173.48 3i98 s PRO 90 N 2.00 4.32 0.00 5.12 0.02 -1.26 -1.18 135.00 144.03 3i98 s PRO 90 Ca 0.13 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3i98 s PRO 90 Cb -0.16 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3i98 s PRO 90 CO 0.10 -0.36 0.21 0.44 -0.33 0.00 0.00 177.00 177.06 3i98 n ILE 91 N 2.83 0.00 -0.52 2.83 -5.35 0.27 -4.86 119.36 114.56 3i98 n ILE 91 Ca 0.08 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3i98 n ILE 91 Cb 0.41 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 3i98 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i98 n GLY 92 N 0.33 -1.46 3.06 3.28 0.00 -1.07 -1.21 105.19 108.12 3i98 n GLY 92 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 3i98 n GLY 92 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i98 s ILE 93 N -2.16 -0.03 -0.20 -0.61 2.07 -0.76 -0.60 121.20 118.91 3i98 s ILE 93 Ca 0.00 0.10 -0.17 0.00 -1.41 0.00 0.00 60.65 59.17 3i98 s ILE 93 Cb 0.00 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 3i98 s ILE 93 CO 0.00 0.04 0.43 -0.32 -1.91 0.00 0.00 174.94 173.18 3i98 s MET 94 N 0.87 4.18 -0.27 3.50 -2.45 0.21 -0.44 119.30 124.90 3i98 s MET 94 Ca -0.06 0.26 -0.13 0.00 -1.25 0.00 0.00 55.69 54.52 3i98 s MET 94 Cb -0.07 -3.54 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 3i98 s MET 94 CO -0.05 -0.07 0.27 0.15 1.05 0.00 0.00 175.02 176.37 3i98 s LYS 95 N 1.39 3.99 0.03 4.11 1.02 -0.01 -1.63 119.74 128.64 3i98 s LYS 95 Ca 0.21 -0.16 -0.17 0.00 0.02 0.00 0.00 55.97 55.87 3i98 s LYS 95 Cb -0.15 -3.65 0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3i98 s LYS 95 CO 0.09 -0.21 0.38 0.00 -0.92 0.00 0.00 175.35 174.68 3i98 s MET 96 N 1.86 0.85 -0.04 1.68 0.23 -1.26 -0.56 119.30 122.06 3i98 s MET 96 Ca 0.10 -0.34 0.06 0.00 -1.03 0.00 0.00 55.69 54.48 3i98 s MET 96 Cb -0.16 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3i98 s MET 96 CO 0.10 -0.28 -0.22 -1.21 -2.03 0.00 0.00 175.02 171.38 3i98 s GLU 97 N -2.24 2.40 -0.26 3.16 2.02 -0.24 -1.40 118.70 122.14 3i98 s GLU 97 Ca -0.07 -0.85 -0.00 0.00 0.02 0.00 0.00 54.97 54.07 3i98 s GLU 97 Cb -0.02 -2.19 0.08 0.00 0.10 0.00 0.00 34.13 32.10 3i98 s GLU 97 CO -0.01 0.51 0.03 0.34 0.02 0.00 0.00 175.26 176.15 3i98 s ASP 98 N -0.47 3.82 -1.32 -0.19 -1.08 -0.39 -0.64 116.67 116.41 3i98 s ASP 98 Ca 0.06 -1.37 -0.03 0.00 -0.52 0.00 0.00 52.55 50.69 3i98 s ASP 98 Cb -0.11 -1.01 -0.00 0.00 -1.46 0.00 0.00 42.92 40.33 3i98 s ASP 98 CO 0.01 -0.32 0.61 -1.20 0.52 0.00 0.00 175.17 174.78 3i98 n SER 99 N 4.76 -1.45 0.00 -0.34 7.64 -1.26 -0.97 113.62 122.00 3i98 n SER 99 Ca -0.06 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.90 3i98 n SER 99 Cb 0.44 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 3i98 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i98 n GLY 100 N -1.74 2.85 3.74 0.23 0.00 -1.26 -5.01 105.19 104.00 3i98 n GLY 100 Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3i98 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 101 N -1.64 7.05 -1.01 1.61 1.01 -0.15 -5.00 116.67 118.55 3i98 s ASP 101 Ca 0.00 1.26 -0.23 0.00 0.71 0.00 0.00 52.55 54.29 3i98 s ASP 101 Cb 0.00 -2.41 0.04 0.00 1.01 0.00 0.00 42.92 41.56 3i98 s ASP 101 CO 0.00 -0.00 1.49 -0.75 0.21 0.00 0.00 175.17 176.12 3i98 s LYS 102 N 0.20 3.49 -0.83 8.23 2.20 -1.26 -1.26 119.74 130.51 3i98 s LYS 102 Ca 0.36 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 3i98 s LYS 102 Cb -0.19 -5.32 0.35 0.00 -1.51 0.00 0.00 37.83 31.16 3i98 s LYS 102 CO 0.19 -2.31 1.72 -3.47 -0.36 0.00 0.00 175.35 171.12 3i98 n ASP 103 N 9.35 6.77 -4.78 1.43 2.03 -0.49 -4.18 116.55 126.67 3i98 n ASP 103 Ca 0.33 -3.76 -0.34 0.00 0.52 0.00 0.00 54.79 51.55 3i98 n ASP 103 Cb 0.51 -0.97 0.01 0.00 -0.72 0.00 0.00 41.12 39.95 3i98 n ASP 103 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3i98 s TRP 104 N -4.03 2.73 -0.04 -0.67 0.52 -1.25 -4.43 118.94 111.78 3i98 s TRP 104 Ca 0.47 1.55 -0.00 0.00 0.02 0.00 0.00 56.10 58.13 3i98 s TRP 104 Cb 0.33 -3.20 0.03 0.00 -1.15 0.00 0.00 33.47 29.48 3i98 s TRP 104 CO -0.26 -1.46 0.02 0.15 0.02 0.00 0.00 176.95 175.42 3i98 s LYS 105 N -3.54 0.22 0.26 4.98 1.02 -0.65 -4.38 119.74 117.66 3i98 s LYS 105 Ca 0.70 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 3i98 s LYS 105 Cb -0.21 -0.52 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 3i98 s LYS 105 CO 0.30 -0.20 1.25 0.08 -0.92 0.00 0.00 175.35 175.87 3i98 s VAL 106 N 1.36 3.12 -0.17 3.17 1.01 -0.56 -0.62 120.40 127.71 3i98 s VAL 106 Ca -0.05 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 3i98 s VAL 106 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3i98 s VAL 106 CO -0.03 0.21 0.05 -0.22 0.00 0.00 0.00 175.10 175.11 3i98 s LEU 107 N -1.03 3.74 0.08 3.92 2.96 0.23 0.04 118.68 128.62 3i98 s LEU 107 Ca 0.51 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 3i98 s LEU 107 Cb -0.36 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3i98 s LEU 107 CO 0.44 0.19 0.06 0.00 -1.32 0.00 0.00 176.35 175.72 3i98 s ALA 108 N 0.26 0.37 0.19 5.97 0.00 0.51 -0.57 121.76 128.48 3i98 s ALA 108 Ca 0.03 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 51.00 3i98 s ALA 108 Cb -0.13 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3i98 s ALA 108 CO 0.01 -0.44 -0.22 0.14 0.00 0.00 0.00 175.76 175.24 3i98 s VAL 109 N -3.93 2.20 0.15 0.00 -7.23 -0.32 -1.73 120.40 109.53 3i98 s VAL 109 Ca 0.10 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3i98 s VAL 109 Cb 0.07 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 3i98 s VAL 109 CO -0.07 -0.18 1.15 -2.16 -0.31 0.00 0.00 175.10 173.53 3i98 s PRO 110 N -2.72 4.52 0.38 4.82 0.04 -1.26 -0.14 135.00 140.65 3i98 s PRO 110 Ca 0.19 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.06 3i98 s PRO 110 Cb -0.07 -3.29 0.77 0.00 0.04 0.00 0.00 34.50 31.95 3i98 s PRO 110 CO 0.09 -0.06 2.01 0.28 0.04 0.00 0.00 177.00 179.37 3i98 h VAL 111 N 3.95 1.13 -0.74 -0.36 2.07 -1.55 -3.23 116.25 117.53 3i98 h VAL 111 Ca -0.44 -0.33 -0.34 0.00 0.82 0.00 0.00 66.70 66.42 3i98 h VAL 111 Cb 1.21 0.54 -0.20 0.00 -1.52 0.00 0.00 31.29 31.32 3i98 h VAL 111 CO 0.75 0.14 0.35 -0.62 0.02 0.00 0.00 177.57 178.21 3i98 n GLU 112 N -4.43 2.52 -4.08 1.57 -0.58 -1.26 -4.72 120.64 109.66 3i98 n GLU 112 Ca 0.03 -3.07 -0.32 0.00 -0.42 0.00 0.00 57.16 53.38 3i98 n GLU 112 Cb 0.09 -2.08 -0.15 0.00 -0.57 0.00 0.00 31.44 28.73 3i98 n GLU 112 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i98 s ASP 113 N -1.59 4.15 0.29 1.62 -1.08 -1.22 -5.01 116.67 113.83 3i98 s ASP 113 Ca 0.53 -1.21 0.23 0.00 -0.52 0.00 0.00 52.55 51.58 3i98 s ASP 113 Cb 0.45 -1.54 1.07 0.00 -1.46 0.00 0.00 42.92 41.43 3i98 s ASP 113 CO 0.09 -0.15 1.71 -0.81 0.52 0.00 0.00 175.17 176.53 3i98 n PRO 114 N 4.48 0.18 -0.17 4.34 -0.04 -1.26 -2.01 135.00 140.53 3i98 n PRO 114 Ca -0.16 0.50 0.15 0.00 -0.04 0.00 0.00 63.50 63.95 3i98 n PRO 114 Cb 0.44 -1.92 0.49 0.00 -0.04 0.00 0.00 33.50 32.47 3i98 n PRO 114 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3i98 h TYR 115 N 0.00 0.52 -0.68 0.54 5.03 -1.95 -2.44 116.97 117.99 3i98 h TYR 115 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3i98 h TYR 115 Cb 0.25 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.36 3i98 h TYR 115 CO 0.00 0.20 0.00 1.19 -1.32 0.00 0.00 178.16 178.23 3i98 n PHE 116 N -4.49 1.23 -0.08 -3.82 3.01 -0.85 -4.61 117.46 107.86 3i98 n PHE 116 Ca 0.14 -0.56 0.19 0.00 1.01 0.00 0.00 57.45 58.23 3i98 n PHE 116 Cb 0.51 -0.13 0.62 0.00 -0.01 0.00 0.00 39.48 40.47 3i98 n PHE 116 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3i98 h ASN 117 N 4.09 0.15 -0.70 4.37 2.35 -1.57 -0.28 115.58 124.00 3i98 h ASN 117 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3i98 h ASN 117 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3i98 h ASN 117 CO 0.12 0.08 0.00 0.47 -1.65 0.00 0.00 177.43 176.45 3i98 n ASP 118 N -4.41 4.19 -4.52 5.81 8.00 -1.26 -4.81 116.55 119.55 3i98 n ASP 118 Ca 0.12 -2.15 -0.43 0.00 0.71 0.00 0.00 54.79 53.05 3i98 n ASP 118 Cb 0.61 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 3i98 n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i98 s TRP 119 N -1.28 3.12 0.00 1.24 0.52 -0.12 -4.85 118.94 117.58 3i98 s TRP 119 Ca 0.49 -0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.51 3i98 s TRP 119 Cb 0.28 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 3i98 s TRP 119 CO 0.30 -0.75 0.00 1.63 0.02 0.00 0.00 176.95 178.15 3i98 n LYS 120 N 5.95 3.33 -4.03 4.98 5.02 -1.26 -4.98 118.16 127.17 3i98 n LYS 120 Ca -0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 3i98 n LYS 120 Cb 0.48 -0.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 3i98 n LYS 120 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i98 s ASP 121 N -0.80 0.03 0.48 4.39 -1.08 -1.26 -4.68 116.67 113.74 3i98 s ASP 121 Ca 0.00 -1.04 0.14 0.00 -0.52 0.00 0.00 52.55 51.13 3i98 s ASP 121 Cb 0.00 0.57 1.13 0.00 -1.46 0.00 0.00 42.92 43.16 3i98 s ASP 121 CO 0.00 -1.13 2.10 -0.29 0.52 0.00 0.00 175.17 176.37 3i98 h ILE 122 N 2.28 1.04 0.00 4.11 6.09 -1.48 -1.09 117.51 128.47 3i98 h ILE 122 Ca -0.27 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3i98 h ILE 122 Cb 1.25 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.47 3i98 h ILE 122 CO 0.38 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 173.97 3i98 n SER 123 N -4.49 0.00 -0.02 2.19 3.41 -1.26 -2.36 113.62 111.08 3i98 n SER 123 Ca -0.01 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 3i98 n SER 123 Cb 0.10 -0.49 0.42 0.00 -0.26 0.00 0.00 64.21 63.99 3i98 n SER 123 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i98 n ASP 124 N -1.49 0.34 -4.76 4.04 8.00 -0.41 -4.86 116.55 117.41 3i98 n ASP 124 Ca 0.03 -0.04 -0.38 0.00 0.71 0.00 0.00 54.79 55.11 3i98 n ASP 124 Cb 0.15 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3i98 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i98 s VAL 125 N -2.93 5.08 0.25 2.53 1.01 -1.00 -4.98 120.40 120.36 3i98 s VAL 125 Ca 0.14 0.99 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 3i98 s VAL 125 Cb 0.18 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 3i98 s VAL 125 CO 0.61 0.41 1.35 -2.65 0.00 0.00 0.00 175.10 174.83 3i98 n PRO 126 N 2.96 1.94 -0.21 2.72 -0.02 -1.26 -4.86 135.00 136.27 3i98 n PRO 126 Ca -0.09 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 3i98 n PRO 126 Cb 0.52 -2.31 0.28 0.00 -0.02 0.00 0.00 33.50 31.97 3i98 n PRO 126 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i98 h LYS 127 N 3.84 0.90 0.00 -0.52 3.64 -1.95 -1.52 116.57 120.96 3i98 h LYS 127 Ca -0.45 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 3i98 h LYS 127 Cb 1.29 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3i98 h LYS 127 CO 0.73 0.60 -0.15 0.00 -2.27 0.00 0.00 179.45 178.35 3i98 h ALA 128 N 1.56 1.69 -0.06 5.00 0.00 -1.99 -1.03 119.26 124.42 3i98 h ALA 128 Ca 0.30 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3i98 h ALA 128 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i98 h ALA 128 CO -0.09 0.19 -0.43 0.35 0.00 0.00 0.00 179.25 179.28 3i98 h PHE 129 N 0.00 0.55 -0.75 0.00 3.57 -1.64 -1.41 116.94 117.25 3i98 h PHE 129 Ca -0.00 -0.25 0.07 0.00 3.53 0.00 0.00 57.97 61.31 3i98 h PHE 129 Cb 0.28 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 3i98 h PHE 129 CO 0.00 1.03 0.43 -0.07 -2.23 0.00 0.00 178.31 177.47 3i98 h LEU 130 N -0.09 0.64 -1.07 0.59 3.38 -1.31 -2.09 115.31 115.36 3i98 h LEU 130 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i98 h LEU 130 Cb 1.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3i98 h LEU 130 CO 0.09 0.40 0.42 0.44 0.09 0.00 0.00 178.44 179.88 3i98 h ASP 131 N 0.77 0.96 -0.15 -0.43 5.19 -1.11 -1.50 116.42 120.15 3i98 h ASP 131 Ca 0.34 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.55 3i98 h ASP 131 Cb 0.24 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3i98 h ASP 131 CO -0.20 0.77 -0.34 1.05 -3.12 0.00 0.00 179.24 177.40 3i98 h GLU 132 N 1.08 0.66 -0.17 3.56 4.11 -0.69 -0.58 114.58 122.54 3i98 h GLU 132 Ca 0.27 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 3i98 h GLU 132 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3i98 h GLU 132 CO -0.04 0.90 -0.03 0.82 0.07 0.00 0.00 179.01 180.73 3i98 h ILE 133 N 0.55 1.28 -0.79 -1.06 2.04 -1.20 -2.12 117.51 116.21 3i98 h ILE 133 Ca 0.06 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3i98 h ILE 133 Cb 0.84 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 3i98 h ILE 133 CO 0.07 0.28 0.45 0.00 0.00 0.00 0.00 178.15 178.95 3i98 h ALA 134 N 0.74 1.01 -0.61 1.87 0.00 -1.16 -2.36 119.26 118.74 3i98 h ALA 134 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i98 h ALA 134 Cb 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3i98 h ALA 134 CO 0.01 0.51 0.22 1.25 0.00 0.00 0.00 179.25 181.24 3i98 h HIS 135 N 1.09 0.95 -0.16 0.00 -0.00 -1.07 0.37 115.15 116.33 3i98 h HIS 135 Ca 0.28 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 3i98 h HIS 135 Cb 0.01 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.10 3i98 h HIS 135 CO -0.00 0.77 -0.13 0.35 -0.00 0.00 0.00 177.93 178.92 3i98 h PHE 136 N 0.85 -0.33 0.00 5.26 3.57 -1.12 -1.38 116.94 123.80 3i98 h PHE 136 Ca 0.20 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3i98 h PHE 136 Cb 0.24 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3i98 h PHE 136 CO 0.01 -0.20 -0.26 0.74 -2.23 0.00 0.00 178.31 176.37 3i98 h PHE 137 N -0.14 0.00 -0.29 0.41 0.04 -1.14 0.56 116.94 116.38 3i98 h PHE 137 Ca 0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.74 3i98 h PHE 137 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3i98 h PHE 137 CO -0.27 0.26 -0.35 0.37 -0.60 0.00 0.00 178.31 177.72 3i98 h GLN 138 N 0.00 0.66 -0.00 1.51 4.15 -0.27 -3.37 115.11 117.78 3i98 h GLN 138 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3i98 h GLN 138 Cb 0.74 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3i98 h GLN 138 CO 0.03 0.91 -0.30 0.54 -1.93 0.00 0.00 178.83 178.09 3i98 n ARG 139 N -4.06 4.12 0.26 1.69 5.12 -0.58 -4.17 116.66 119.05 3i98 n ARG 139 Ca -0.01 -0.11 0.17 0.00 -1.93 0.00 0.00 57.85 55.97 3i98 n ARG 139 Cb 0.49 -0.87 0.77 0.00 -1.16 0.00 0.00 32.46 31.69 3i98 n ARG 139 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 3i98 h TYR 140 N 0.18 0.00 -0.26 -1.55 -0.00 -1.05 -1.93 116.97 112.36 3i98 h TYR 140 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3i98 h TYR 140 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 3i98 h TYR 140 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 3i98 n LYS 141 N -2.88 2.79 -0.22 0.10 5.02 -1.26 -4.57 118.16 117.14 3i98 n LYS 141 Ca -0.00 -2.45 -0.01 0.00 -2.02 0.00 0.00 58.31 53.83 3i98 n LYS 141 Cb 0.22 -1.56 0.21 0.00 -0.02 0.00 0.00 35.03 33.88 3i98 n LYS 141 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i98 h GLU 142 N 1.63 1.00 0.00 1.97 4.81 -1.40 -0.74 114.58 121.85 3i98 h GLU 142 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3i98 h GLU 142 Cb 1.10 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3i98 h GLU 142 CO 0.11 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.38 3i98 n LEU 143 N -4.38 0.00 -0.53 1.64 4.77 -1.26 -1.85 117.00 115.39 3i98 n LEU 143 Ca 0.08 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 3i98 n LEU 143 Cb 0.08 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.12 3i98 n LEU 143 CO 0.37 -0.08 0.82 0.00 -1.33 0.00 0.00 177.39 177.17 3i98 n GLN 144 N -1.50 1.69 -0.76 3.23 6.02 -0.32 -4.93 117.38 120.82 3i98 n GLN 144 Ca 0.06 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.99 3i98 n GLN 144 Cb 0.28 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3i98 n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i98 n GLY 145 N 1.21 0.60 3.55 1.08 0.00 -0.77 -5.03 105.19 105.83 3i98 n GLY 145 Ca 0.18 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i98 s LYS 146 N -0.51 3.83 -0.12 1.61 -0.14 -0.99 -5.03 119.74 118.40 3i98 s LYS 146 Ca 0.00 -0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.14 3i98 s LYS 146 Cb 0.00 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 3i98 s LYS 146 CO 0.00 0.11 0.10 -0.08 -0.76 0.00 0.00 175.35 174.72 3i98 s THR 147 N 0.82 5.20 0.21 2.17 -1.32 -1.26 -3.59 115.64 117.86 3i98 s THR 147 Ca 0.03 0.09 0.09 0.00 -1.21 0.00 0.00 61.69 60.69 3i98 s THR 147 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 72.50 67.56 3i98 s THR 147 CO 0.02 0.61 -0.04 0.42 -2.21 0.00 0.00 174.62 173.42 3i98 s THR 148 N -0.91 3.38 -0.20 5.08 -4.23 -1.26 -4.31 115.64 113.19 3i98 s THR 148 Ca 0.14 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3i98 s THR 148 Cb -0.12 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 3i98 s THR 148 CO 0.03 -0.22 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.07 3i98 s LYS 149 N -3.18 3.33 -0.23 3.99 2.47 0.19 -4.88 119.74 121.43 3i98 s LYS 149 Ca 0.28 -0.66 -0.19 0.00 -1.56 0.00 0.00 55.97 53.84 3i98 s LYS 149 Cb -0.08 -2.91 -0.03 0.00 -1.46 0.00 0.00 37.83 33.36 3i98 s LYS 149 CO 0.18 -0.15 0.57 0.42 0.16 0.00 0.00 175.35 176.52 3i98 s ILE 150 N 1.32 5.05 -0.14 5.43 -1.09 -1.26 -1.08 121.20 129.43 3i98 s ILE 150 Ca 0.04 1.03 0.21 0.00 -2.23 0.00 0.00 60.65 59.69 3i98 s ILE 150 Cb -0.14 -3.88 -0.17 0.00 -1.58 0.00 0.00 42.46 36.68 3i98 s ILE 150 CO -0.04 0.11 0.70 -0.62 -1.23 0.00 0.00 174.94 173.86 3i98 n GLU 151 N 5.25 0.64 0.00 2.79 1.02 0.28 -5.00 120.64 125.61 3i98 n GLU 151 Ca -0.03 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i98 n GLU 151 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3i98 n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i98 n GLY 152 N 1.32 0.78 3.30 0.62 0.00 -1.18 -4.97 105.19 105.05 3i98 n GLY 152 Ca -0.07 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 3i98 n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i98 s TRP 153 N -1.64 2.43 0.29 1.61 0.52 -1.26 -0.83 118.94 120.07 3i98 s TRP 153 Ca 0.00 -0.61 0.06 0.00 0.02 0.00 0.00 56.10 55.58 3i98 s TRP 153 Cb 0.00 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.72 3i98 s TRP 153 CO 0.00 -0.14 0.35 0.20 0.02 0.00 0.00 176.95 177.38 3i98 s GLY 154 N -0.31 1.46 0.49 0.98 0.00 0.42 -4.95 107.32 105.41 3i98 s GLY 154 Ca 0.01 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.28 3i98 s GLY 154 CO 0.02 -1.38 0.67 1.16 0.00 0.00 0.00 173.10 173.58 3i98 n ASN 155 N -1.44 0.42 -0.11 1.64 0.23 -1.26 -1.83 115.26 112.91 3i98 n ASN 155 Ca -0.05 -1.47 -0.02 0.00 -0.53 0.00 0.00 54.58 52.51 3i98 n ASN 155 Cb 0.58 -0.48 0.21 0.00 -2.08 0.00 0.00 39.78 38.01 3i98 n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i98 h ALA 156 N -1.21 1.24 -0.55 -2.53 0.00 -1.85 -1.49 119.26 112.87 3i98 h ALA 156 Ca -0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3i98 h ALA 156 Cb 0.70 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i98 h ALA 156 CO 0.19 0.52 0.20 0.93 0.00 0.00 0.00 179.25 181.09 3i98 h GLU 157 N 0.76 0.84 -0.63 0.00 4.39 -1.93 -1.28 114.58 116.72 3i98 h GLU 157 Ca 0.17 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3i98 h GLU 157 Cb 0.29 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3i98 h GLU 157 CO -0.00 0.75 0.26 0.93 -1.16 0.00 0.00 179.01 179.79 3i98 h GLU 158 N 0.76 0.93 -0.43 2.33 5.08 -1.83 -2.00 114.58 119.42 3i98 h GLU 158 Ca 0.18 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3i98 h GLU 158 Cb 0.24 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3i98 h GLU 158 CO -0.01 0.77 0.22 0.00 -1.00 0.00 0.00 179.01 178.99 3i98 h ALA 159 N 1.11 0.54 -0.48 3.43 0.00 -1.03 -2.21 119.26 120.61 3i98 h ALA 159 Ca 0.21 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3i98 h ALA 159 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i98 h ALA 159 CO -0.02 -0.14 -0.12 0.87 0.00 0.00 0.00 179.25 179.84 3i98 h LYS 160 N 0.43 0.91 -0.57 0.00 1.57 -0.98 -1.31 116.57 116.62 3i98 h LYS 160 Ca 0.18 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3i98 h LYS 160 Cb 0.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3i98 h LYS 160 CO -0.13 0.98 0.32 -0.09 -0.57 0.00 0.00 179.45 179.96 3i98 h ARG 161 N 0.81 0.61 -0.27 3.15 2.43 -1.20 -2.13 114.38 117.78 3i98 h ARG 161 Ca 0.13 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3i98 h ARG 161 Cb 0.65 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3i98 h ARG 161 CO 0.05 0.41 -0.30 0.93 -1.51 0.00 0.00 179.97 179.54 3i98 h GLU 162 N 0.63 0.56 -0.71 0.20 4.39 -1.04 -1.82 114.58 116.79 3i98 h GLU 162 Ca 0.24 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3i98 h GLU 162 Cb 0.08 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3i98 h GLU 162 CO -0.13 0.80 0.42 0.82 -1.16 0.00 0.00 179.01 179.76 3i98 h ILE 163 N 0.48 1.21 -0.64 3.13 2.04 -0.96 -0.88 117.51 121.89 3i98 h ILE 163 Ca 0.06 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3i98 h ILE 163 Cb 0.77 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3i98 h ILE 163 CO 0.06 0.22 0.08 -0.07 0.00 0.00 0.00 178.15 178.44 3i98 h LEU 164 N 0.97 1.01 -0.62 1.44 3.38 -1.11 -0.98 115.31 119.40 3i98 h LEU 164 Ca 0.26 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3i98 h LEU 164 Cb -0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3i98 h LEU 164 CO -0.05 1.02 0.36 0.03 0.09 0.00 0.00 178.44 179.89 3i98 h ARG 165 N 0.99 0.66 -0.35 1.13 3.08 -1.04 -1.97 114.38 116.87 3i98 h ARG 165 Ca 0.19 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3i98 h ARG 165 Cb 0.45 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3i98 h ARG 165 CO 0.02 0.44 -0.16 0.00 -1.07 0.00 0.00 179.97 179.19 3i98 h ALA 166 N 1.30 1.08 -0.42 0.04 0.00 -0.64 0.35 119.26 120.97 3i98 h ALA 166 Ca 0.27 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3i98 h ALA 166 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i98 h ALA 166 CO -0.14 0.57 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 3i98 h ILE 167 N 0.57 1.26 -0.40 0.00 2.04 -0.97 -1.62 117.51 118.39 3i98 h ILE 167 Ca 0.09 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3i98 h ILE 167 Cb 0.60 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3i98 h ILE 167 CO 0.04 0.35 0.17 -0.08 0.00 0.00 0.00 178.15 178.63 3i98 h GLU 168 N 0.58 0.58 -0.97 2.37 4.57 -0.98 -2.31 114.58 118.43 3i98 h GLU 168 Ca 0.12 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3i98 h GLU 168 Cb 0.50 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 3i98 h GLU 168 CO 0.02 0.54 0.62 0.52 -1.18 0.00 0.00 179.01 179.54 3i98 h MET 169 N 0.50 1.05 -0.21 1.92 2.86 -0.81 -1.42 114.93 118.82 3i98 h MET 169 Ca 0.13 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3i98 h MET 169 Cb 0.16 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3i98 h MET 169 CO -0.01 0.69 0.08 -0.92 1.06 0.00 0.00 176.91 177.81 3i98 h TYR 170 N 1.08 0.32 -0.93 -0.22 5.03 -1.08 -1.69 116.97 119.49 3i98 h TYR 170 Ca 0.43 -0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.78 3i98 h TYR 170 Cb 0.25 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.37 3i98 h TYR 170 CO -0.00 0.38 0.59 0.87 -1.32 0.00 0.00 178.16 178.68 3i98 h LYS 171 N 0.17 1.04 -0.25 1.82 1.57 -0.85 -1.44 116.57 118.63 3i98 h LYS 171 Ca 0.07 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3i98 h LYS 171 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3i98 h LYS 171 CO -0.00 0.69 -0.39 0.93 -0.57 0.00 0.00 179.45 180.10 3i98 h GLU 172 N 1.07 0.57 0.01 3.15 5.08 -1.07 -0.22 114.58 123.17 3i98 h GLU 172 Ca 0.40 -0.29 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 3i98 h GLU 172 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3i98 h GLU 172 CO -0.18 0.87 -1.14 -0.22 -1.00 0.00 0.00 179.01 177.35 3i98 h LYS 173 N 0.48 0.02 0.00 2.33 3.64 -0.92 -3.38 116.57 118.74 3i98 h LYS 173 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i98 h LYS 173 Cb 0.89 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3i98 h LYS 173 CO 0.08 0.93 -0.80 1.19 -2.27 0.00 0.00 179.45 178.58 3i98 n PHE 174 N -3.31 0.00 1.89 1.91 3.72 -0.58 -5.10 117.46 115.98 3i98 n PHE 174 Ca -0.03 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.52 3i98 n PHE 174 Cb 0.96 -0.07 0.86 0.00 -0.94 0.00 0.00 39.48 40.29 3i98 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12