#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd5 s GLN 32 N 0.00 3.92 0.13 -1.09 -1.52 -1.26 -4.77 119.66 115.08 3hd5 s GLN 32 Ca 0.00 -1.85 -0.25 0.00 -1.95 0.00 0.00 55.36 51.31 3hd5 s GLN 32 Cb 0.00 -5.51 0.07 0.00 -0.22 0.00 0.00 33.01 27.35 3hd5 s GLN 32 CO 0.00 -2.25 0.76 1.52 -0.25 0.00 0.00 175.29 175.07 3hd5 s TYR 33 N 4.35 -0.36 0.08 0.91 1.13 -1.26 -4.60 117.35 117.60 3hd5 s TYR 33 Ca 0.53 0.11 0.10 0.00 -1.41 0.00 0.00 57.07 56.39 3hd5 s TYR 33 Cb 0.03 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 3hd5 s TYR 33 CO 0.05 -0.83 -0.26 0.14 -2.51 0.00 0.00 175.55 172.14 3hd5 s VAL 34 N -3.53 2.17 0.47 -3.49 -7.23 -1.26 -5.01 120.40 102.52 3hd5 s VAL 34 Ca 0.06 -1.52 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 3hd5 s VAL 34 Cb -0.02 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 3hd5 s VAL 34 CO -0.06 0.26 0.99 0.20 -0.31 0.00 0.00 175.10 176.18 3hd5 s ASN 35 N -1.55 6.60 -0.39 4.85 -0.87 -1.26 -4.50 114.94 117.82 3hd5 s ASN 35 Ca 0.12 1.78 -0.11 0.00 -1.57 0.00 0.00 52.86 53.08 3hd5 s ASN 35 Cb -0.10 -2.54 0.04 0.00 -0.02 0.00 0.00 41.25 38.62 3hd5 s ASN 35 CO 0.04 -0.60 0.23 -0.63 -2.57 0.00 0.00 177.10 173.57 3hd5 s ILE 36 N -2.17 4.62 -0.20 0.60 1.01 0.92 -4.96 121.20 121.02 3hd5 s ILE 36 Ca 0.64 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3hd5 s ILE 36 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3hd5 s ILE 36 CO 0.19 -0.31 -0.07 0.21 0.00 0.00 0.00 174.94 174.96 3hd5 s ASN 37 N 1.71 4.12 0.57 3.58 2.47 -1.26 -2.02 114.94 124.11 3hd5 s ASN 37 Ca 0.02 -0.41 -0.07 0.00 0.42 0.00 0.00 52.86 52.83 3hd5 s ASN 37 Cb -0.20 -1.69 -0.01 0.00 -1.45 0.00 0.00 41.25 37.90 3hd5 s ASN 37 CO 0.06 0.01 0.90 -2.16 -3.72 0.00 0.00 177.10 172.19 3hd5 s PRO 38 N 1.29 3.13 0.00 0.43 0.04 -1.26 -5.04 135.00 133.59 3hd5 s PRO 38 Ca 0.03 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.22 3hd5 s PRO 38 Cb -0.14 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3hd5 s PRO 38 CO -0.03 -0.59 0.00 -0.35 0.04 0.00 0.00 177.00 176.07 3hd5 n PRO 39 N -2.55 2.76 -4.32 0.56 -0.04 -0.86 -4.99 135.00 125.57 3hd5 n PRO 39 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 3hd5 n PRO 39 Cb 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.91 3hd5 n PRO 39 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hd5 s PRO 41 N 0.00 1.82 0.02 0.54 0.04 -1.26 -5.00 135.00 131.15 3hd5 s PRO 41 Ca 0.00 -1.16 -0.18 0.00 0.04 0.00 0.00 61.00 59.69 3hd5 s PRO 41 Cb 0.00 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 3hd5 s PRO 41 CO 0.00 0.48 0.53 0.45 0.04 0.00 0.00 177.00 178.50 3hd5 s SER 42 N -2.11 6.95 -0.23 6.66 0.15 -1.26 -4.95 113.70 118.90 3hd5 s SER 42 Ca 0.18 1.12 0.10 0.00 0.70 0.00 0.00 55.95 58.05 3hd5 s SER 42 Cb -0.11 -2.33 0.43 0.00 -1.71 0.00 0.00 66.02 62.31 3hd5 s SER 42 CO 0.10 0.22 1.23 -0.90 1.20 0.00 0.00 173.24 175.09 3hd5 n ASP 43 N 2.18 2.46 -2.97 5.45 5.68 -1.26 -4.71 116.55 123.37 3hd5 n ASP 43 Ca -0.10 -3.87 -0.14 0.00 -0.50 0.00 0.00 54.79 50.18 3hd5 n ASP 43 Cb 0.51 -0.50 0.02 0.00 -1.14 0.00 0.00 41.12 40.02 3hd5 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hd5 n THR 44 N -1.03 -0.02 -1.57 2.12 -2.24 -1.26 -5.13 114.28 105.14 3hd5 n THR 44 Ca 0.25 -3.25 -0.51 0.00 -2.27 0.00 0.00 64.05 58.28 3hd5 n THR 44 Cb 0.77 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 3hd5 n THR 44 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3hd5 n PRO 45 N 0.24 1.04 -0.78 -0.78 -0.02 -1.26 -1.47 135.00 131.97 3hd5 n PRO 45 Ca 0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3hd5 n PRO 45 Cb 0.69 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3hd5 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hd5 n GLY 46 N 2.15 0.79 3.05 -1.23 0.00 -1.26 -5.03 105.19 103.66 3hd5 n GLY 46 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3hd5 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd5 s LYS 47 N -0.22 0.66 -0.29 1.61 -0.14 -0.54 -4.90 119.74 115.92 3hd5 s LYS 47 Ca 0.00 -0.50 -0.19 0.00 -1.36 0.00 0.00 55.97 53.91 3hd5 s LYS 47 Cb 0.00 -0.60 -0.01 0.00 -1.68 0.00 0.00 37.83 35.54 3hd5 s LYS 47 CO 0.00 0.15 0.59 0.42 -0.76 0.00 0.00 175.35 175.75 3hd5 s ILE 48 N -0.63 4.98 0.01 2.17 1.09 -0.09 -4.86 121.20 123.88 3hd5 s ILE 48 Ca -0.01 0.83 -0.20 0.00 -1.10 0.00 0.00 60.65 60.18 3hd5 s ILE 48 Cb -0.06 -3.95 -0.06 0.00 -1.06 0.00 0.00 42.46 37.34 3hd5 s ILE 48 CO 0.00 -0.08 0.57 -0.70 -0.10 0.00 0.00 174.94 174.64 3hd5 s GLU 49 N 2.50 4.27 -0.15 2.79 2.12 -1.26 -2.11 118.70 126.86 3hd5 s GLU 49 Ca 0.24 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.29 3hd5 s GLU 49 Cb -0.15 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.94 3hd5 s GLU 49 CO 0.11 0.45 -0.20 0.08 -0.54 0.00 0.00 175.26 175.16 3hd5 s VAL 50 N -0.45 1.94 -0.12 3.70 1.01 -0.42 -0.84 120.40 125.23 3hd5 s VAL 50 Ca 0.30 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3hd5 s VAL 50 Cb -0.18 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3hd5 s VAL 50 CO 0.17 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.97 3hd5 s LEU 51 N 1.04 3.13 -0.29 3.92 1.43 0.10 -1.28 118.68 126.73 3hd5 s LEU 51 Ca -0.02 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3hd5 s LEU 51 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3hd5 s LEU 51 CO -0.06 0.25 0.02 -0.70 0.23 0.00 0.00 176.35 176.08 3hd5 s GLU 52 N -0.11 2.74 -0.14 1.70 2.12 -0.33 -0.82 118.70 123.86 3hd5 s GLU 52 Ca 0.01 -1.06 -0.24 0.00 0.36 0.00 0.00 54.97 54.04 3hd5 s GLU 52 Cb -0.13 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3hd5 s GLU 52 CO 0.03 -0.52 0.74 -0.06 -0.54 0.00 0.00 175.26 174.92 3hd5 s PHE 53 N 1.36 3.46 0.26 5.30 0.08 0.16 0.10 117.98 128.69 3hd5 s PHE 53 Ca -0.01 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.23 3hd5 s PHE 53 Cb -0.18 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 3hd5 s PHE 53 CO -0.01 -0.12 0.22 -0.59 -0.10 0.00 0.00 175.22 174.63 3hd5 s PHE 54 N 1.65 1.34 -0.11 0.36 -0.71 -0.19 -2.33 117.98 118.00 3hd5 s PHE 54 Ca 0.36 -1.45 -0.05 0.00 -1.04 0.00 0.00 56.93 54.75 3hd5 s PHE 54 Cb -0.17 -0.56 0.05 0.00 -1.21 0.00 0.00 43.02 41.13 3hd5 s PHE 54 CO 0.14 -0.77 0.24 0.00 -1.34 0.00 0.00 175.22 173.49 3hd5 s ALA 55 N -3.83 -0.54 0.49 1.99 0.00 -1.26 -0.40 121.76 118.22 3hd5 s ALA 55 Ca 0.38 0.97 0.18 0.00 0.00 0.00 0.00 51.96 53.49 3hd5 s ALA 55 Cb 0.05 -0.68 1.21 0.00 0.00 0.00 0.00 23.12 23.70 3hd5 s ALA 55 CO 0.18 -0.26 2.05 1.88 0.00 0.00 0.00 175.76 179.61 3hd5 h TYR 56 N 7.36 0.16 0.00 0.00 0.05 -1.92 0.23 116.97 122.85 3hd5 h TYR 56 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 3hd5 h TYR 56 Cb 1.15 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3hd5 h TYR 56 CO 0.37 0.08 0.00 0.25 -1.05 0.00 0.00 178.16 177.81 3hd5 n THR 57 N -4.46 0.59 -2.52 -2.88 -2.24 -1.26 -4.74 114.28 96.76 3hd5 n THR 57 Ca 0.05 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 3hd5 n THR 57 Cb 0.33 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 3hd5 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hd5 h PRO 59 N 9.49 0.19 -0.12 0.00 0.13 -1.86 0.46 132.00 140.29 3hd5 h PRO 59 Ca -0.24 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.70 3hd5 h PRO 59 Cb 1.08 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3hd5 h PRO 59 CO 1.10 0.13 -0.68 0.45 -0.23 0.00 0.00 178.00 178.76 3hd5 h HIS 60 N 0.20 0.65 -0.26 1.56 3.86 -1.91 0.65 115.15 119.90 3hd5 h HIS 60 Ca 0.18 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 3hd5 h HIS 60 Cb 0.44 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3hd5 h HIS 60 CO -0.00 1.03 -0.29 0.00 0.86 0.00 0.00 177.93 179.52 3hd5 h ALA 62 N 1.24 0.62 -0.83 0.00 0.00 -0.65 -1.28 119.26 118.36 3hd5 h ALA 62 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hd5 h ALA 62 Cb 0.74 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hd5 h ALA 62 CO 0.06 0.40 0.50 0.00 0.00 0.00 0.00 179.25 180.21 3hd5 h ALA 63 N 0.93 1.06 0.00 0.00 0.00 -0.47 -3.11 119.26 117.66 3hd5 h ALA 63 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hd5 h ALA 63 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hd5 h ALA 63 CO 0.02 0.52 -0.75 0.97 0.00 0.00 0.00 179.25 180.02 3hd5 h ILE 64 N 1.14 0.00 -0.59 0.00 2.10 -1.20 -3.39 117.51 115.57 3hd5 h ILE 64 Ca 0.30 -0.74 0.12 0.00 1.08 0.00 0.00 64.86 65.62 3hd5 h ILE 64 Cb -0.04 1.31 -0.11 0.00 -1.09 0.00 0.00 36.82 36.88 3hd5 h ILE 64 CO -0.06 0.00 -0.20 -0.08 -1.08 0.00 0.00 178.15 176.74 3hd5 h GLU 65 N 0.00 -0.05 -0.17 2.19 4.57 -1.16 0.92 114.58 120.89 3hd5 h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hd5 h GLU 65 Cb 0.87 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3hd5 h GLU 65 CO 0.00 -0.03 0.00 -2.30 -1.18 0.00 0.00 179.01 175.50 3hd5 n PRO 66 N -5.43 0.00 0.00 0.92 -0.02 -1.26 -1.29 135.00 127.92 3hd5 n PRO 66 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3hd5 n PRO 66 Cb 0.33 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3hd5 n PRO 66 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hd5 n VAL 68 N 0.41 0.00 -0.19 -1.45 0.31 0.32 -1.82 118.33 115.91 3hd5 n VAL 68 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3hd5 n VAL 68 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3hd5 n VAL 68 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hd5 h GLU 69 N 0.00 0.80 -0.59 5.55 5.08 -1.45 -0.05 114.58 123.92 3hd5 h GLU 69 Ca 0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hd5 h GLU 69 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3hd5 h GLU 69 CO 0.00 0.70 0.38 -0.44 -1.00 0.00 0.00 179.01 178.65 3hd5 h ASP 70 N 0.73 0.65 -0.75 1.42 3.45 -1.61 -2.39 116.42 117.92 3hd5 h ASP 70 Ca 0.18 -0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.65 3hd5 h ASP 70 Cb 0.20 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 3hd5 h ASP 70 CO -0.01 0.47 0.48 -0.25 -1.57 0.00 0.00 179.24 178.36 3hd5 h TRP 71 N 0.77 0.91 -0.40 4.55 7.01 -1.71 -2.52 115.95 124.57 3hd5 h TRP 71 Ca 0.22 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 3hd5 h TRP 71 Cb -0.06 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.68 3hd5 h TRP 71 CO -0.04 0.55 0.16 0.00 -2.79 0.00 0.00 178.44 176.32 3hd5 h ALA 72 N 1.29 1.54 0.00 2.65 0.00 -0.53 -1.47 119.26 122.74 3hd5 h ALA 72 Ca 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hd5 h ALA 72 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hd5 h ALA 72 CO -0.08 0.36 -0.27 0.87 0.00 0.00 0.00 179.25 180.13 3hd5 h LYS 73 N 0.57 0.00 -0.27 0.00 1.57 -1.02 -3.11 116.57 114.31 3hd5 h LYS 73 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hd5 h LYS 73 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3hd5 h LYS 73 CO -0.02 0.27 0.00 0.25 -0.57 0.00 0.00 179.45 179.38 3hd5 n THR 74 N -4.17 0.73 -0.91 -0.16 -2.24 -0.91 -5.04 114.28 101.58 3hd5 n THR 74 Ca -0.02 -0.87 -0.32 0.00 -2.27 0.00 0.00 64.05 60.57 3hd5 n THR 74 Cb 0.32 0.70 0.15 0.00 -2.10 0.00 0.00 70.33 69.39 3hd5 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hd5 s ALA 75 N -0.99 1.66 0.34 6.98 0.00 -0.60 -4.92 121.76 124.24 3hd5 s ALA 75 Ca 0.21 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3hd5 s ALA 75 Cb 0.12 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 3hd5 s ALA 75 CO 0.16 -2.52 1.42 -2.30 0.00 0.00 0.00 175.76 172.52 3hd5 n PRO 76 N -3.78 2.42 0.27 0.00 -0.02 -1.26 -4.87 135.00 127.75 3hd5 n PRO 76 Ca 0.13 0.85 0.17 0.00 -2.02 0.00 0.00 63.50 62.63 3hd5 n PRO 76 Cb 0.51 -2.52 0.92 0.00 -0.02 0.00 0.00 33.50 32.39 3hd5 n PRO 76 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hd5 h GLN 77 N 3.09 0.00 -0.55 -0.52 4.20 -2.00 0.96 115.11 120.29 3hd5 h GLN 77 Ca -0.48 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 3hd5 h GLN 77 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 3hd5 h GLN 77 CO 0.66 0.00 0.03 -0.40 -0.67 0.00 0.00 178.83 178.45 3hd5 n ASP 78 N -2.72 5.40 -4.38 1.46 5.75 -1.26 -4.91 116.55 115.89 3hd5 n ASP 78 Ca -0.02 -2.99 -0.30 0.00 -0.01 0.00 0.00 54.79 51.47 3hd5 n ASP 78 Cb 0.10 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.37 3hd5 n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hd5 s VAL 79 N -2.82 2.33 -0.02 2.12 1.01 0.33 -0.91 120.40 122.44 3hd5 s VAL 79 Ca 0.53 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3hd5 s VAL 79 Cb 0.41 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3hd5 s VAL 79 CO 0.15 0.32 -0.02 0.54 0.00 0.00 0.00 175.10 176.09 3hd5 s VAL 80 N -0.87 0.26 -0.12 2.92 0.11 -0.89 -4.82 120.40 116.98 3hd5 s VAL 80 Ca 0.13 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 3hd5 s VAL 80 Cb -0.10 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 3hd5 s VAL 80 CO 0.03 0.13 0.09 -0.22 -3.33 0.00 0.00 175.10 171.81 3hd5 s LEU 81 N 0.63 4.07 -0.05 2.54 2.96 -1.26 -1.30 118.68 126.26 3hd5 s LEU 81 Ca -0.07 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3hd5 s LEU 81 Cb -0.10 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3hd5 s LEU 81 CO -0.01 0.35 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.59 3hd5 s LYS 82 N -0.71 0.82 -0.20 1.98 2.20 -0.41 -4.98 119.74 118.46 3hd5 s LYS 82 Ca 0.12 -0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.55 3hd5 s LYS 82 Cb -0.12 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 3hd5 s LYS 82 CO 0.03 -0.13 0.20 -0.65 -0.36 0.00 0.00 175.35 174.43 3hd5 s GLN 83 N 1.16 4.19 -0.18 4.03 -0.21 -1.26 -1.19 119.66 126.20 3hd5 s GLN 83 Ca -0.07 -0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.21 3hd5 s GLN 83 Cb -0.14 -3.45 0.03 0.00 1.00 0.00 0.00 33.01 30.45 3hd5 s GLN 83 CO -0.01 0.22 -0.16 0.08 -2.12 0.00 0.00 175.29 173.30 3hd5 s VAL 84 N 0.57 1.86 0.20 1.09 1.01 0.11 -4.93 120.40 120.31 3hd5 s VAL 84 Ca 0.11 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3hd5 s VAL 84 Cb -0.12 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 3hd5 s VAL 84 CO 0.01 0.38 1.26 -2.16 0.00 0.00 0.00 175.10 174.59 3hd5 s PRO 85 N 1.34 4.44 0.25 2.72 0.04 -1.26 -1.02 135.00 141.51 3hd5 s PRO 85 Ca 0.02 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.14 3hd5 s PRO 85 Cb -0.14 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 3hd5 s PRO 85 CO -0.11 -0.17 -0.13 -1.50 0.04 0.00 0.00 177.00 175.13 3hd5 s ILE 86 N -0.01 2.85 -0.07 0.56 2.07 0.46 -4.69 121.20 122.38 3hd5 s ILE 86 Ca 0.55 -2.10 -0.02 0.00 -1.41 0.00 0.00 60.65 57.67 3hd5 s ILE 86 Cb -0.35 -2.48 0.03 0.00 0.13 0.00 0.00 42.46 39.80 3hd5 s ILE 86 CO 0.38 -0.31 0.05 0.00 -1.91 0.00 0.00 174.94 173.16 3hd5 s ALA 87 N -2.21 0.36 -0.23 1.50 0.00 -1.26 -4.76 121.76 115.15 3hd5 s ALA 87 Ca 0.28 0.05 0.22 0.00 0.00 0.00 0.00 51.96 52.51 3hd5 s ALA 87 Cb -0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3hd5 s ALA 87 CO 0.16 -0.59 1.05 0.74 0.00 0.00 0.00 175.76 177.11 3hd5 h PHE 88 N 8.41 0.00 -4.60 0.00 0.04 -2.00 -3.48 116.94 115.31 3hd5 h PHE 88 Ca -0.14 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.37 3hd5 h PHE 88 Cb 1.12 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.13 3hd5 h PHE 88 CO 0.43 0.05 -0.61 0.54 -0.60 0.00 0.00 178.31 178.13 3hd5 s ASN 89 N -5.43 0.33 0.25 2.17 2.20 -1.26 -5.05 114.94 108.14 3hd5 s ASN 89 Ca -0.00 -1.43 -0.06 0.00 -0.94 0.00 0.00 52.86 50.43 3hd5 s ASN 89 Cb 0.09 0.39 0.26 0.00 -2.00 0.00 0.00 41.25 40.00 3hd5 s ASN 89 CO 0.79 -0.86 1.87 0.00 -2.94 0.00 0.00 177.10 175.95 3hd5 h ALA 90 N 2.57 1.20 0.00 3.54 0.00 -2.03 -3.35 119.26 121.18 3hd5 h ALA 90 Ca -0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hd5 h ALA 90 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hd5 h ALA 90 CO 0.51 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3hd5 n GLY 91 N -1.14 0.32 5.00 0.00 0.00 -1.26 -4.48 105.19 103.63 3hd5 n GLY 91 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hd5 n GLY 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hd5 n LYS 93 N 1.64 0.00 -0.22 1.61 4.81 -1.26 -4.77 118.16 119.96 3hd5 n LYS 93 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3hd5 n LYS 93 Cb 0.00 -0.52 0.36 0.00 0.02 0.00 0.00 35.03 34.88 3hd5 n LYS 93 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3hd5 h PRO 94 N 0.00 0.72 0.00 1.64 0.11 -1.94 0.59 132.00 133.13 3hd5 h PRO 94 Ca 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3hd5 h PRO 94 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3hd5 h PRO 94 CO 0.00 0.48 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.92 3hd5 h LEU 95 N 0.74 0.00 -0.11 2.35 -0.00 -1.92 0.22 115.31 116.60 3hd5 h LEU 95 Ca 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.18 3hd5 h LEU 95 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3hd5 h LEU 95 CO -0.14 0.28 -0.22 1.56 -0.00 0.00 0.00 178.44 179.92 3hd5 h GLN 96 N 0.00 0.34 -0.36 1.13 4.20 -1.27 -2.61 115.11 116.54 3hd5 h GLN 96 Ca -0.00 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.54 3hd5 h GLN 96 Cb 0.51 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3hd5 h GLN 96 CO 0.04 0.81 0.06 1.96 -0.67 0.00 0.00 178.83 181.03 3hd5 h GLN 97 N -0.09 0.17 -0.58 1.46 4.20 -0.36 -1.64 115.11 118.27 3hd5 h GLN 97 Ca 0.00 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.81 3hd5 h GLN 97 Cb 0.80 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.46 3hd5 h GLN 97 CO 0.05 0.11 0.11 1.25 -0.67 0.00 0.00 178.83 179.68 3hd5 h LEU 98 N 0.18 -0.02 -0.12 1.46 5.85 -0.57 0.11 115.31 122.20 3hd5 h LEU 98 Ca 0.17 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3hd5 h LEU 98 Cb 0.20 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3hd5 h LEU 98 CO -0.23 0.01 -0.14 0.22 -0.34 0.00 0.00 178.44 177.95 3hd5 h TYR 99 N 0.24 -0.37 0.00 1.25 3.20 -0.91 -1.35 116.97 119.04 3hd5 h TYR 99 Ca 0.30 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hd5 h TYR 99 Cb 0.44 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3hd5 h TYR 99 CO -0.25 -0.21 -0.28 1.88 -1.64 0.00 0.00 178.16 177.66 3hd5 h TYR 100 N -0.18 0.00 -0.31 -3.82 0.05 -1.12 -2.72 116.97 108.86 3hd5 h TYR 100 Ca 0.09 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 3hd5 h TYR 100 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3hd5 h TYR 100 CO -0.26 0.28 -0.25 1.15 -1.05 0.00 0.00 178.16 178.03 3hd5 h THR 101 N 0.00 1.30 -0.47 -2.88 2.02 -0.47 -0.29 112.91 112.11 3hd5 h THR 101 Ca -0.00 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 3hd5 h THR 101 Cb 0.81 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3hd5 h THR 101 CO 0.04 0.45 -0.08 -0.07 0.37 0.00 0.00 175.52 176.23 3hd5 h LEU 102 N 0.48 0.83 -0.58 2.58 3.38 -1.15 -0.83 115.31 120.02 3hd5 h LEU 102 Ca 0.06 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3hd5 h LEU 102 Cb 0.81 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hd5 h LEU 102 CO 0.07 0.94 -0.23 1.56 0.09 0.00 0.00 178.44 180.87 3hd5 h GLN 103 N 0.77 0.89 -0.02 1.13 1.08 -1.38 -1.71 115.11 115.87 3hd5 h GLN 103 Ca 0.13 -0.38 -0.08 0.00 -1.45 0.00 0.00 58.65 56.87 3hd5 h GLN 103 Cb 0.58 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3hd5 h GLN 103 CO 0.04 1.03 -0.39 0.00 -0.95 0.00 0.00 178.83 178.56 3hd5 h ALA 104 N 0.96 1.33 0.00 3.87 0.00 -0.69 -1.37 119.26 123.36 3hd5 h ALA 104 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hd5 h ALA 104 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hd5 h ALA 104 CO 0.06 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.09 3hd5 n LEU 105 N -4.07 0.00 -3.38 0.00 4.77 -0.35 -4.91 117.00 109.06 3hd5 n LEU 105 Ca -0.02 0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 3hd5 n LEU 105 Cb 0.42 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3hd5 n LEU 105 CO 0.39 -0.01 0.21 -0.62 -1.33 0.00 0.00 177.39 176.03 3hd5 n GLU 106 N -1.24 -7.23 -2.88 3.23 1.02 -0.52 -4.95 120.64 108.06 3hd5 n GLU 106 Ca 0.15 0.78 -0.25 0.00 -0.02 0.00 0.00 57.16 57.82 3hd5 n GLU 106 Cb 0.21 -5.68 -0.03 0.00 -0.02 0.00 0.00 31.44 25.93 3hd5 n GLU 106 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hd5 n ARG 107 N -4.56 2.90 0.31 3.49 5.12 -0.68 -4.88 116.66 118.36 3hd5 n ARG 107 Ca -0.05 -4.55 0.20 0.00 -1.93 0.00 0.00 57.85 51.52 3hd5 n ARG 107 Cb 0.58 -2.13 1.06 0.00 -1.16 0.00 0.00 32.46 30.80 3hd5 n ARG 107 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hd5 h PRO 108 N 2.91 0.00 0.00 5.56 0.13 -1.91 0.04 132.00 138.73 3hd5 h PRO 108 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3hd5 h PRO 108 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3hd5 h PRO 108 CO 0.77 0.00 -0.11 0.38 -0.23 0.00 0.00 178.00 178.82 3hd5 h ASP 109 N 0.00 0.00 1.00 1.44 3.04 -1.94 -1.81 116.42 118.15 3hd5 h ASP 109 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 3hd5 h ASP 109 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 3hd5 h ASP 109 CO -0.00 0.11 -0.12 0.18 -2.04 0.00 0.00 179.24 177.36 3hd5 n LEU 110 N -4.08 0.28 0.32 0.15 4.77 -0.00 -4.03 117.00 114.41 3hd5 n LEU 110 Ca -0.02 0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3hd5 n LEU 110 Cb 0.19 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 3hd5 n LEU 110 CO 0.33 -0.02 0.62 -0.74 -1.33 0.00 0.00 177.39 176.25 3hd5 h HIS 111 N 0.00 -0.74 -0.04 -1.77 2.76 -1.44 -2.14 115.15 111.79 3hd5 h HIS 111 Ca 0.00 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3hd5 h HIS 111 Cb 0.56 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3hd5 h HIS 111 CO 0.00 -0.43 -0.21 -1.00 -1.30 0.00 0.00 177.93 174.99 3hd5 h PRO 112 N -0.88 0.06 0.00 5.26 0.13 -1.73 -2.36 132.00 132.47 3hd5 h PRO 112 Ca -0.08 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 3hd5 h PRO 112 Cb 0.64 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 3hd5 h PRO 112 CO 0.13 0.27 -0.15 0.87 -0.23 0.00 0.00 178.00 178.89 3hd5 h LYS 113 N 0.06 0.00 -0.46 0.86 1.57 -1.65 -2.45 116.57 114.49 3hd5 h LYS 113 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3hd5 h LYS 113 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3hd5 h LYS 113 CO 0.03 0.15 0.18 0.28 -0.57 0.00 0.00 179.45 179.53 3hd5 h VAL 114 N 0.00 1.21 0.40 0.50 2.07 -0.82 0.79 116.25 120.39 3hd5 h VAL 114 Ca -0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3hd5 h VAL 114 Cb 0.37 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hd5 h VAL 114 CO 0.02 0.24 -0.30 -0.26 0.02 0.00 0.00 177.57 177.29 3hd5 h PHE 115 N 0.61 -0.80 -0.54 1.57 0.04 -1.55 -1.07 116.94 115.20 3hd5 h PHE 115 Ca 0.15 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 3hd5 h PHE 115 Cb 0.20 0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3hd5 h PHE 115 CO 0.00 -0.45 0.22 1.79 -0.60 0.00 0.00 178.31 179.28 3hd5 h THR 116 N -0.69 1.19 -0.54 -1.55 1.35 -1.47 0.26 112.91 111.46 3hd5 h THR 116 Ca -0.04 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3hd5 h THR 116 Cb 0.60 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 3hd5 h THR 116 CO 0.00 0.24 0.27 0.00 -0.25 0.00 0.00 175.52 175.78 3hd5 h ALA 117 N 1.48 0.70 0.20 6.62 0.00 -0.52 0.50 119.26 128.23 3hd5 h ALA 117 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hd5 h ALA 117 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hd5 h ALA 117 CO -0.02 0.25 -0.10 0.82 0.00 0.00 0.00 179.25 180.21 3hd5 h ILE 118 N 0.73 0.58 0.15 0.00 2.04 -0.78 -0.01 117.51 120.22 3hd5 h ILE 118 Ca 0.19 -1.04 -0.29 0.00 1.00 0.00 0.00 64.86 64.72 3hd5 h ILE 118 Cb 0.11 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3hd5 h ILE 118 CO -0.02 0.16 -1.30 0.45 0.00 0.00 0.00 178.15 177.43 3hd5 h HIS 119 N -0.96 0.56 0.00 1.37 3.86 -1.02 -2.05 115.15 116.91 3hd5 h HIS 119 Ca -0.03 -0.41 -0.22 0.00 -1.16 0.00 0.00 60.37 58.55 3hd5 h HIS 119 Cb 0.46 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 3hd5 h HIS 119 CO 0.06 1.33 -1.20 1.15 0.86 0.00 0.00 177.93 180.14 3hd5 h THR 120 N 0.08 0.93 0.00 2.45 2.02 -1.13 -3.38 112.91 113.88 3hd5 h THR 120 Ca -0.16 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3hd5 h THR 120 Cb 2.01 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 3hd5 h THR 120 CO 0.21 0.31 -0.16 -0.62 0.37 0.00 0.00 175.52 175.64 3hd5 n GLU 121 N -4.44 0.10 -2.31 6.66 1.02 -0.23 -4.94 120.64 116.50 3hd5 n GLU 121 Ca -0.31 0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.70 3hd5 n GLU 121 Cb 0.67 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 3hd5 n GLU 121 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hd5 n ARG 122 N -1.76 -1.57 -2.73 3.49 5.12 -0.77 -4.95 116.66 113.49 3hd5 n ARG 122 Ca 0.06 0.98 -0.42 0.00 -1.93 0.00 0.00 57.85 56.54 3hd5 n ARG 122 Cb 0.37 -5.56 -0.03 0.00 -1.16 0.00 0.00 32.46 26.08 3hd5 n ARG 122 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3hd5 s LYS 123 N -4.88 4.50 -1.29 5.56 1.02 -0.06 -4.93 119.74 119.65 3hd5 s LYS 123 Ca 0.00 1.36 -0.08 0.00 0.02 0.00 0.00 55.97 57.27 3hd5 s LYS 123 Cb 0.00 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 3hd5 s LYS 123 CO 0.00 -0.14 2.55 0.54 -0.92 0.00 0.00 175.35 177.38 3hd5 n ARG 124 N 4.31 2.93 -1.33 1.68 1.74 -1.26 -4.23 116.66 120.50 3hd5 n ARG 124 Ca 0.06 -1.88 -0.39 0.00 -0.77 0.00 0.00 57.85 54.88 3hd5 n ARG 124 Cb 0.50 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 3hd5 n ARG 124 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hd5 n LEU 125 N 3.99 5.92 -0.37 0.55 4.77 -1.26 -4.53 117.00 126.07 3hd5 n LEU 125 Ca 0.63 -3.57 0.03 0.00 -0.03 0.00 0.00 56.01 53.07 3hd5 n LEU 125 Cb 0.19 -1.38 0.09 0.00 -2.33 0.00 0.00 43.42 39.99 3hd5 n LEU 125 CO 0.79 0.68 0.57 0.49 -1.33 0.00 0.00 177.39 178.59 3hd5 n PHE 126 N 5.94 0.27 -3.82 -1.77 3.72 -1.26 -5.00 117.46 115.53 3hd5 n PHE 126 Ca 0.54 -0.49 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 3hd5 n PHE 126 Cb 0.33 -0.04 -0.08 0.00 -0.94 0.00 0.00 39.48 38.76 3hd5 n PHE 126 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3hd5 s ASP 127 N -0.99 0.01 0.27 4.37 1.47 -1.26 -4.94 116.67 115.59 3hd5 s ASP 127 Ca 0.14 -0.40 -0.01 0.00 1.18 0.00 0.00 52.55 53.46 3hd5 s ASP 127 Cb 0.07 0.32 0.58 0.00 -0.34 0.00 0.00 42.92 43.56 3hd5 s ASP 127 CO 0.09 -0.63 1.71 0.50 0.68 0.00 0.00 175.17 177.52 3hd5 h LYS 128 N 3.17 0.38 0.28 2.11 3.64 -1.95 -2.14 116.57 122.07 3hd5 h LYS 128 Ca -0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3hd5 h LYS 128 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3hd5 h LYS 128 CO 0.50 0.25 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.58 3hd5 h LYS 129 N 0.40 -0.36 -0.72 1.90 3.64 -2.01 0.50 116.57 119.91 3hd5 h LYS 129 Ca 0.48 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3hd5 h LYS 129 Cb 0.84 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3hd5 h LYS 129 CO -0.48 -0.18 0.00 0.00 -2.27 0.00 0.00 179.45 176.52 3hd5 n ALA 130 N -2.31 1.16 0.00 5.00 0.00 -0.81 -1.37 120.51 122.20 3hd5 n ALA 130 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3hd5 n ALA 130 Cb 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hd5 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hd5 n GLY 132 N 0.67 0.00 0.16 0.00 0.00 0.17 -1.62 105.19 104.58 3hd5 n GLY 132 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hd5 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hd5 h GLU 133 N 0.00 0.21 -0.85 1.61 5.08 -1.45 0.14 114.58 119.32 3hd5 h GLU 133 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3hd5 h GLU 133 Cb 0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3hd5 h GLU 133 CO 0.00 0.14 0.54 2.35 -1.00 0.00 0.00 179.01 181.04 3hd5 h TRP 134 N 0.22 1.01 -0.26 4.33 7.01 -1.55 -1.82 115.95 124.90 3hd5 h TRP 134 Ca 0.18 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.06 3hd5 h TRP 134 Cb 0.19 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 3hd5 h TRP 134 CO -0.18 0.57 -0.43 0.00 -2.79 0.00 0.00 178.44 175.61 3hd5 h ALA 135 N 1.36 0.78 -0.77 2.65 0.00 -1.64 -3.02 119.26 118.62 3hd5 h ALA 135 Ca 0.34 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3hd5 h ALA 135 Cb 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3hd5 h ALA 135 CO -0.13 0.66 0.50 0.00 0.00 0.00 0.00 179.25 180.28 3hd5 h ALA 136 N 1.02 1.81 0.00 0.00 0.00 0.10 0.18 119.26 122.37 3hd5 h ALA 136 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hd5 h ALA 136 Cb 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hd5 h ALA 136 CO 0.09 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3hd5 n SER 137 N -4.50 0.00 -0.79 0.00 3.41 -1.02 -3.12 113.62 107.60 3hd5 n SER 137 Ca 0.13 -0.66 0.09 0.00 -0.26 0.00 0.00 58.87 58.17 3hd5 n SER 137 Cb 0.34 -0.08 0.24 0.00 -0.26 0.00 0.00 64.21 64.45 3hd5 n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hd5 n GLN 138 N -1.08 2.75 -0.11 4.33 1.13 0.63 -4.95 117.38 120.07 3hd5 n GLN 138 Ca 0.19 -2.78 0.00 0.00 -1.94 0.00 0.00 57.00 52.46 3hd5 n GLN 138 Cb 0.13 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.69 3hd5 n GLN 138 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hd5 n GLY 139 N -0.57 1.07 3.74 1.08 0.00 -1.18 -5.04 105.19 104.28 3hd5 n GLY 139 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3hd5 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hd5 s VAL 140 N -2.52 4.39 -0.29 1.61 1.01 -1.11 -4.97 120.40 118.52 3hd5 s VAL 140 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 3hd5 s VAL 140 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3hd5 s VAL 140 CO 0.00 0.38 1.72 -0.62 0.00 0.00 0.00 175.10 176.58 3hd5 s ASP 141 N -0.36 6.08 0.38 3.32 2.15 -1.26 -4.13 116.67 122.85 3hd5 s ASP 141 Ca 0.44 1.40 0.17 0.00 0.43 0.00 0.00 52.55 55.00 3hd5 s ASP 141 Cb -0.24 -2.53 1.08 0.00 -0.30 0.00 0.00 42.92 40.94 3hd5 s ASP 141 CO 0.30 -1.54 1.73 -0.09 -0.17 0.00 0.00 175.17 175.40 3hd5 h ARG 142 N 12.03 0.39 0.00 4.34 9.65 -1.91 0.24 114.38 139.11 3hd5 h ARG 142 Ca -0.34 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.30 3hd5 h ARG 142 Cb 1.16 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3hd5 h ARG 142 CO 1.02 0.26 -0.92 0.00 2.80 0.00 0.00 179.97 183.12 3hd5 h ALA 143 N 1.67 0.41 -0.27 2.80 0.00 -1.99 -2.26 119.26 119.62 3hd5 h ALA 143 Ca 0.65 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3hd5 h ALA 143 Cb 1.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3hd5 h ALA 143 CO -0.39 0.85 -0.32 -0.22 0.00 0.00 0.00 179.25 179.17 3hd5 h LYS 144 N 0.19 0.58 0.05 0.00 1.63 -1.44 -1.38 116.57 116.20 3hd5 h LYS 144 Ca -0.07 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3hd5 h LYS 144 Cb 1.56 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 3hd5 h LYS 144 CO 0.15 0.82 -0.03 0.35 -3.45 0.00 0.00 179.45 177.30 3hd5 h PHE 145 N 0.49 -0.06 -0.62 1.91 3.04 -0.98 -1.59 116.94 119.12 3hd5 h PHE 145 Ca 0.06 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.02 3hd5 h PHE 145 Cb 0.79 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 3hd5 h PHE 145 CO 0.03 0.18 0.41 -0.44 -2.02 0.00 0.00 178.31 176.48 3hd5 h ASP 146 N -0.31 0.69 -0.04 0.41 3.32 -1.24 0.63 116.42 119.88 3hd5 h ASP 146 Ca -0.01 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 3hd5 h ASP 146 Cb 0.28 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.67 3hd5 h ASP 146 CO 0.01 0.49 -0.64 0.77 -1.72 0.00 0.00 179.24 178.15 3hd5 h SER 147 N 0.81 0.64 -0.46 6.45 4.64 -1.17 -3.08 113.55 121.38 3hd5 h SER 147 Ca 0.24 -0.71 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3hd5 h SER 147 Cb -0.04 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 3hd5 h SER 147 CO -0.06 1.26 -0.05 0.58 -0.87 0.00 0.00 176.83 177.69 3hd5 h VAL 148 N 0.08 1.26 -0.35 0.95 2.07 -1.09 0.11 116.25 119.27 3hd5 h VAL 148 Ca -0.07 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.38 3hd5 h VAL 148 Cb 1.32 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3hd5 h VAL 148 CO 0.13 0.40 0.24 0.15 0.02 0.00 0.00 177.57 178.51 3hd5 h PHE 149 N 0.82 0.20 -0.30 1.57 3.04 -0.89 -0.98 116.94 120.39 3hd5 h PHE 149 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3hd5 h PHE 149 Cb 0.55 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.00 3hd5 h PHE 149 CO 0.03 0.11 0.00 -0.25 -2.02 0.00 0.00 178.31 176.18 3hd5 n ASP 150 N -4.47 2.90 -4.71 0.41 8.00 -1.01 -4.84 116.55 112.82 3hd5 n ASP 150 Ca 0.04 -1.86 -0.34 0.00 0.71 0.00 0.00 54.79 53.34 3hd5 n ASP 150 Cb 0.28 -0.20 0.11 0.00 -0.02 0.00 0.00 41.12 41.29 3hd5 n ASP 150 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hd5 s SER 151 N -1.11 3.95 0.28 -2.24 1.04 -0.01 -4.87 113.70 110.74 3hd5 s SER 151 Ca 0.27 2.40 -0.01 0.00 0.48 0.00 0.00 55.95 59.08 3hd5 s SER 151 Cb 0.15 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 64.09 3hd5 s SER 151 CO 0.21 -2.43 1.85 0.15 0.98 0.00 0.00 173.24 174.00 3hd5 h PHE 152 N -0.49 0.89 0.11 5.02 3.57 -1.89 -2.40 116.94 121.75 3hd5 h PHE 152 Ca -0.47 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 3hd5 h PHE 152 Cb 1.30 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 3hd5 h PHE 152 CO 0.46 0.71 -0.06 1.03 -2.23 0.00 0.00 178.31 178.21 3hd5 h SER 153 N 0.85 -0.15 -0.86 0.41 0.87 -1.92 -1.13 113.55 111.63 3hd5 h SER 153 Ca 0.20 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3hd5 h SER 153 Cb 0.22 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3hd5 h SER 153 CO -0.01 -0.10 0.57 0.58 -0.53 0.00 0.00 176.83 177.33 3hd5 h VAL 154 N -0.16 1.21 -0.68 2.23 2.07 -1.77 -2.14 116.25 117.00 3hd5 h VAL 154 Ca -0.01 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hd5 h VAL 154 Cb 0.14 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 3hd5 h VAL 154 CO 0.01 0.21 0.41 -0.61 0.02 0.00 0.00 177.57 177.61 3hd5 h GLN 155 N 1.15 0.76 -0.04 1.57 4.15 -1.06 -1.05 115.11 120.58 3hd5 h GLN 155 Ca 0.32 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 3hd5 h GLN 155 Cb -0.12 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.39 3hd5 h GLN 155 CO -0.07 0.50 0.03 1.15 -1.93 0.00 0.00 178.83 178.51 3hd5 h THR 156 N 0.78 1.03 -0.17 2.39 2.02 -0.61 -1.88 112.91 116.48 3hd5 h THR 156 Ca 0.29 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 3hd5 h THR 156 Cb 0.09 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3hd5 h THR 156 CO -0.14 0.03 -0.05 1.56 0.37 0.00 0.00 175.52 177.30 3hd5 h GLN 157 N 0.03 0.25 -0.33 6.66 4.20 -0.97 -1.34 115.11 123.61 3hd5 h GLN 157 Ca 0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3hd5 h GLN 157 Cb 0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hd5 h GLN 157 CO -0.00 0.32 -0.24 0.28 -0.67 0.00 0.00 178.83 178.51 3hd5 h VAL 158 N 0.24 1.27 -0.06 -0.54 2.07 -0.80 -1.24 116.25 117.20 3hd5 h VAL 158 Ca 0.06 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3hd5 h VAL 158 Cb 0.25 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hd5 h VAL 158 CO 0.01 0.43 0.01 1.56 0.02 0.00 0.00 177.57 179.61 3hd5 h GLN 159 N 0.57 0.10 -0.72 1.57 4.20 -0.51 -1.96 115.11 118.36 3hd5 h GLN 159 Ca 0.08 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3hd5 h GLN 159 Cb 0.72 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 3hd5 h GLN 159 CO 0.06 0.32 0.43 0.00 -0.67 0.00 0.00 178.83 178.96 3hd5 h ARG 160 N -0.13 0.79 0.11 1.46 3.08 -1.12 0.29 114.38 118.86 3hd5 h ARG 160 Ca 0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hd5 h ARG 160 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3hd5 h ARG 160 CO 0.00 0.52 -0.16 0.00 -1.07 0.00 0.00 179.97 179.26 3hd5 h ALA 161 N 1.34 -0.28 -0.58 0.04 0.00 -1.09 0.23 119.26 118.93 3hd5 h ALA 161 Ca 0.31 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3hd5 h ALA 161 Cb 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hd5 h ALA 161 CO -0.15 -0.68 0.38 0.77 0.00 0.00 0.00 179.25 179.57 3hd5 h SER 162 N -0.32 0.56 -0.20 0.00 0.02 -0.88 0.22 113.55 112.96 3hd5 h SER 162 Ca 0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3hd5 h SER 162 Cb 0.32 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3hd5 h SER 162 CO -0.07 0.38 0.05 1.56 -1.14 0.00 0.00 176.83 177.61 3hd5 h GLN 163 N 0.65 0.32 -0.73 3.45 4.20 0.09 -2.00 115.11 121.10 3hd5 h GLN 163 Ca 0.23 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3hd5 h GLN 163 Cb 0.12 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3hd5 h GLN 163 CO -0.06 0.45 0.47 -0.07 -0.67 0.00 0.00 178.83 178.94 3hd5 h LEU 164 N 0.14 0.79 -0.99 1.46 3.38 0.64 -1.04 115.31 119.69 3hd5 h LEU 164 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hd5 h LEU 164 Cb 0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3hd5 h LEU 164 CO 0.00 0.55 0.64 0.00 0.09 0.00 0.00 178.44 179.73 3hd5 h ALA 165 N 1.29 1.32 -0.23 1.53 0.00 -0.82 -0.78 119.26 121.57 3hd5 h ALA 165 Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hd5 h ALA 165 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3hd5 h ALA 165 CO -0.09 0.52 -0.01 1.49 0.00 0.00 0.00 179.25 181.16 3hd5 h GLU 166 N 1.23 0.41 -0.71 0.00 4.57 -0.61 -1.94 114.58 117.55 3hd5 h GLU 166 Ca 0.40 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 3hd5 h GLU 166 Cb 0.03 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3hd5 h GLU 166 CO -0.13 0.61 0.36 0.00 -1.18 0.00 0.00 179.01 178.66 3hd5 h ALA 167 N 0.79 1.30 -0.01 2.92 0.00 -0.68 -1.68 119.26 121.90 3hd5 h ALA 167 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hd5 h ALA 167 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hd5 h ALA 167 CO 0.01 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 3hd5 n ALA 168 N -2.43 2.63 -3.89 0.00 0.00 -0.35 -4.82 120.51 111.65 3hd5 n ALA 168 Ca 0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.87 3hd5 n ALA 168 Cb 0.12 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3hd5 n ALA 168 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hd5 n HIS 169 N -0.28 -2.18 -1.99 0.00 -0.00 -0.63 -4.88 115.22 105.25 3hd5 n HIS 169 Ca 0.21 0.88 -0.42 0.00 -0.00 0.00 0.00 57.72 58.39 3hd5 n HIS 169 Cb 0.27 -4.02 -0.03 0.00 -0.00 0.00 0.00 29.99 26.21 3hd5 n HIS 169 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hd5 s ILE 170 N -3.40 2.72 -0.25 1.59 -1.09 -0.86 -4.91 121.20 115.00 3hd5 s ILE 170 Ca 0.51 0.54 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 3hd5 s ILE 170 Cb -0.26 -3.35 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3hd5 s ILE 170 CO 0.83 0.06 0.45 0.47 -1.23 0.00 0.00 174.94 175.52 3hd5 n ASP 171 N 3.44 0.91 -3.36 3.58 8.00 -1.26 -4.97 116.55 122.89 3hd5 n ASP 171 Ca 0.11 -0.96 -0.04 0.00 0.71 0.00 0.00 54.79 54.62 3hd5 n ASP 171 Cb 0.39 0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.77 3hd5 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hd5 s GLY 172 N -0.46 0.09 0.01 0.44 0.00 -1.26 -5.18 107.32 100.96 3hd5 s GLY 172 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 3hd5 s GLY 172 CO 0.05 1.63 -0.02 -0.51 0.00 0.00 0.00 173.10 174.25 3hd5 s THR 173 N -2.38 0.07 0.37 0.90 -4.23 -1.26 -3.96 115.64 105.16 3hd5 s THR 173 Ca 0.19 -0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 59.95 3hd5 s THR 173 Cb -0.03 -0.17 -0.10 0.00 1.34 0.00 0.00 72.50 73.54 3hd5 s THR 173 CO 0.06 -0.31 0.86 -2.16 -0.54 0.00 0.00 174.62 172.53 3hd5 s PRO 174 N -0.91 4.16 -0.00 3.99 0.04 -1.26 -4.71 135.00 136.32 3hd5 s PRO 174 Ca -0.10 0.95 0.05 0.00 0.04 0.00 0.00 61.00 61.94 3hd5 s PRO 174 Cb -0.06 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3hd5 s PRO 174 CO -0.01 0.08 -0.16 0.00 0.04 0.00 0.00 177.00 176.96 3hd5 s ALA 175 N -2.05 1.29 -0.17 8.56 0.00 -0.98 -4.47 121.76 123.94 3hd5 s ALA 175 Ca 0.58 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 3hd5 s ALA 175 Cb -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3hd5 s ALA 175 CO 0.16 0.31 -0.13 -0.06 0.00 0.00 0.00 175.76 176.04 3hd5 s PHE 176 N -0.45 2.83 -0.15 0.00 0.40 -0.56 -0.67 117.98 119.38 3hd5 s PHE 176 Ca 0.05 -0.98 -0.04 0.00 -0.60 0.00 0.00 56.93 55.36 3hd5 s PHE 176 Cb -0.06 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 3hd5 s PHE 176 CO -0.00 -0.46 -0.00 0.00 0.70 0.00 0.00 175.22 175.45 3hd5 s ALA 177 N 0.91 3.16 -0.03 5.36 0.00 0.00 -1.46 121.76 129.69 3hd5 s ALA 177 Ca -0.03 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3hd5 s ALA 177 Cb -0.15 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 3hd5 s ALA 177 CO -0.01 0.26 -0.23 0.08 0.00 0.00 0.00 175.76 175.87 3hd5 s VAL 178 N 0.17 1.83 -1.03 0.00 1.01 0.09 0.02 120.40 122.48 3hd5 s VAL 178 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3hd5 s VAL 178 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hd5 s VAL 178 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3hd5 n GLY 179 N 2.69 0.93 3.01 4.51 0.00 -0.02 -1.02 105.19 115.29 3hd5 n GLY 179 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hd5 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd5 n GLY 180 N -0.07 0.21 0.00 -0.02 0.00 -1.26 -4.77 105.19 99.29 3hd5 n GLY 180 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hd5 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd5 n ARG 181 N -0.85 3.02 -0.81 1.61 1.74 -0.19 -4.50 116.66 116.69 3hd5 n ARG 181 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hd5 n ARG 181 Cb 0.23 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3hd5 n ARG 181 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hd5 n TYR 182 N -1.93 0.00 0.00 -1.55 4.01 -0.60 -0.06 117.16 117.02 3hd5 n TYR 182 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3hd5 n TYR 182 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 3hd5 n TYR 182 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3hd5 n THR 184 N 0.00 0.00 -3.71 -0.72 5.66 -0.54 -0.74 114.28 114.23 3hd5 n THR 184 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 3hd5 n THR 184 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 3hd5 n THR 184 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3hd5 s SER 185 N 0.00 -0.18 0.22 1.09 1.04 -1.26 -1.50 113.70 113.10 3hd5 s SER 185 Ca 0.00 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 3hd5 s SER 185 Cb 0.00 0.44 0.33 0.00 0.10 0.00 0.00 66.02 66.89 3hd5 s SER 185 CO 0.00 -0.81 1.75 -0.65 0.98 0.00 0.00 173.24 174.51 3hd5 h PRO 186 N 2.00 0.45 -0.45 4.02 0.11 -1.98 0.10 132.00 136.25 3hd5 h PRO 186 Ca -0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 3hd5 h PRO 186 Cb 1.23 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hd5 h PRO 186 CO 0.26 0.30 0.08 0.28 -0.21 0.00 0.00 178.00 178.71 3hd5 h VAL 187 N 0.46 1.25 -0.60 3.15 2.07 -1.96 -1.78 116.25 118.84 3hd5 h VAL 187 Ca 0.34 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3hd5 h VAL 187 Cb 0.43 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3hd5 h VAL 187 CO -0.32 0.31 0.07 -0.07 0.02 0.00 0.00 177.57 177.58 3hd5 h LEU 188 N 0.61 0.97 -1.99 2.57 3.38 -1.74 -2.41 115.31 116.71 3hd5 h LEU 188 Ca 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hd5 h LEU 188 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hd5 h LEU 188 CO 0.01 1.00 -0.09 0.00 0.09 0.00 0.00 178.44 179.45 3hd5 h ALA 189 N 1.00 1.25 -0.37 1.53 0.00 -0.70 -2.08 119.26 119.90 3hd5 h ALA 189 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hd5 h ALA 189 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hd5 h ALA 189 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.80 3hd5 n GLY 190 N -0.69 1.46 3.39 0.00 0.00 -0.68 -4.91 105.19 103.76 3hd5 n GLY 190 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3hd5 n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hd5 s ASN 191 N -0.76 1.13 -0.40 1.61 0.01 -0.78 -5.06 114.94 110.69 3hd5 s ASN 191 Ca 0.28 -1.57 0.11 0.00 -0.71 0.00 0.00 52.86 50.97 3hd5 s ASN 191 Cb 0.17 0.60 0.42 0.00 0.41 0.00 0.00 41.25 42.86 3hd5 s ASN 191 CO 0.14 -1.17 1.00 -0.67 -1.51 0.00 0.00 177.10 174.89 3hd5 n ASP 192 N -1.36 2.99 0.19 -1.22 2.03 -1.26 -4.88 116.55 113.04 3hd5 n ASP 192 Ca 0.03 -3.24 0.07 0.00 0.52 0.00 0.00 54.79 52.18 3hd5 n ASP 192 Cb 0.62 -0.51 0.58 0.00 -0.72 0.00 0.00 41.12 41.09 3hd5 n ASP 192 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3hd5 h TYR 193 N 2.83 0.14 -0.60 -0.67 0.05 -1.97 -0.70 116.97 116.04 3hd5 h TYR 193 Ca 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3hd5 h TYR 193 Cb 1.00 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 3hd5 h TYR 193 CO 0.66 0.09 0.26 0.00 -1.05 0.00 0.00 178.16 178.12 3hd5 h ALA 194 N 1.93 1.33 -0.47 3.88 0.00 -1.90 -2.10 119.26 121.94 3hd5 h ALA 194 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hd5 h ALA 194 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hd5 h ALA 194 CO -0.01 0.51 0.10 0.78 0.00 0.00 0.00 179.25 180.62 3hd5 h GLY 195 N 0.96 0.83 0.90 0.00 0.00 -1.52 -0.90 103.07 103.34 3hd5 h GLY 195 Ca 0.21 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3hd5 h GLY 195 CO -0.02 0.50 0.63 0.00 0.00 0.00 0.00 176.54 177.65 3hd5 h ALA 196 N 0.97 1.38 -0.02 3.60 0.00 -1.15 -1.42 119.26 122.63 3hd5 h ALA 196 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3hd5 h ALA 196 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hd5 h ALA 196 CO 0.01 0.51 -0.71 -0.07 0.00 0.00 0.00 179.25 178.99 3hd5 h LEU 197 N 1.21 0.13 -0.71 0.00 3.38 -1.03 -2.74 115.31 115.55 3hd5 h LEU 197 Ca 0.39 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3hd5 h LEU 197 Cb 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3hd5 h LEU 197 CO -0.12 0.79 0.31 0.50 0.09 0.00 0.00 178.44 180.01 3hd5 h LYS 198 N 0.07 1.03 -0.55 1.13 3.64 -0.15 -0.31 116.57 121.44 3hd5 h LYS 198 Ca -0.01 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3hd5 h LYS 198 Cb 1.25 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 3hd5 h LYS 198 CO 0.10 0.83 0.24 0.28 -2.27 0.00 0.00 179.45 178.63 3hd5 h VAL 199 N 1.00 0.87 -0.80 2.00 2.07 -1.17 -0.62 116.25 119.60 3hd5 h VAL 199 Ca 0.24 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3hd5 h VAL 199 Cb 0.16 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 3hd5 h VAL 199 CO -0.03 0.08 0.46 0.58 0.02 0.00 0.00 177.57 178.69 3hd5 h VAL 200 N 0.45 0.95 -0.03 2.57 2.07 -0.96 0.15 116.25 121.46 3hd5 h VAL 200 Ca 0.26 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hd5 h VAL 200 Cb 0.24 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3hd5 h VAL 200 CO -0.23 0.15 0.02 0.44 0.02 0.00 0.00 177.57 177.97 3hd5 h ASP 201 N 0.81 0.02 -0.33 0.57 3.32 0.39 -0.53 116.42 120.68 3hd5 h ASP 201 Ca 0.37 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3hd5 h ASP 201 Cb 0.28 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3hd5 h ASP 201 CO -0.22 0.02 0.09 1.56 -1.72 0.00 0.00 179.24 178.98 3hd5 h GLN 202 N 0.04 0.61 -0.01 3.56 4.20 -0.65 -1.56 115.11 121.29 3hd5 h GLN 202 Ca 0.01 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3hd5 h GLN 202 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hd5 h GLN 202 CO -0.01 0.56 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.16 3hd5 h LEU 203 N 0.59 0.04 -0.46 1.46 3.38 -0.27 -0.40 115.31 119.65 3hd5 h LEU 203 Ca 0.14 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hd5 h LEU 203 Cb 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hd5 h LEU 203 CO -0.00 0.52 0.07 0.40 0.09 0.00 0.00 178.44 179.52 3hd5 h ILE 204 N 0.03 1.25 -0.24 1.22 2.04 -0.12 -1.77 117.51 119.91 3hd5 h ILE 204 Ca -0.00 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 3hd5 h ILE 204 Cb 0.87 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3hd5 h ILE 204 CO 0.06 0.32 0.06 0.58 0.00 0.00 0.00 178.15 179.18 3hd5 h VAL 205 N 0.62 1.20 -0.71 1.67 2.07 -1.09 -2.12 116.25 117.89 3hd5 h VAL 205 Ca 0.14 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.10 3hd5 h VAL 205 Cb 0.38 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 3hd5 h VAL 205 CO 0.01 0.21 0.34 -0.61 0.02 0.00 0.00 177.57 177.54 3hd5 h GLN 206 N 0.22 0.55 -0.12 1.57 4.15 -0.84 -2.76 115.11 117.88 3hd5 h GLN 206 Ca 0.08 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 3hd5 h GLN 206 Cb 0.26 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3hd5 h GLN 206 CO -0.00 0.36 -0.39 0.66 -1.93 0.00 0.00 178.83 177.53 3hd5 h SER 207 N 0.57 0.54 0.00 -0.69 4.64 -1.26 -3.05 113.55 114.30 3hd5 h SER 207 Ca 0.36 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hd5 h SER 207 Cb 0.42 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3hd5 h SER 207 CO -0.29 1.06 0.14 -1.14 -0.87 0.00 0.00 176.83 175.73 3hd5 n ARG 208 N -4.32 0.08 0.00 4.77 0.63 -0.81 -5.12 116.66 111.89 3hd5 n ARG 208 Ca -0.07 0.54 0.14 0.00 -0.92 0.00 0.00 57.85 57.53 3hd5 n ARG 208 Cb 0.53 -1.90 0.45 0.00 0.45 0.00 0.00 32.46 31.99 3hd5 n ARG 208 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51