#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmt s ASN 37 N 0.00 6.33 0.00 2.89 0.01 -1.26 -4.88 114.94 118.03 3hmt s ASN 37 Ca 0.00 -1.53 0.29 0.00 -0.71 0.00 0.00 52.86 50.91 3hmt s ASN 37 Cb 0.00 -2.36 1.33 0.00 0.41 0.00 0.00 41.25 40.64 3hmt s ASN 37 CO 0.00 -1.17 1.91 0.35 -1.51 0.00 0.00 177.10 176.68 3hmt n THR 38 N 5.55 0.00 0.29 1.60 -2.24 -1.26 -4.15 114.28 114.08 3hmt n THR 38 Ca 0.02 -0.12 0.18 0.00 -2.27 0.00 0.00 64.05 61.86 3hmt n THR 38 Cb 0.45 0.05 0.98 0.00 -2.10 0.00 0.00 70.33 69.72 3hmt n THR 38 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hmt h ILE 39 N 1.16 0.35 0.00 2.28 2.10 -1.89 0.50 117.51 122.00 3hmt h ILE 39 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hmt h ILE 39 Cb 0.32 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3hmt h ILE 39 CO 0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 3hmt n HIS 40 N -3.58 0.00 1.65 2.19 8.25 -1.26 -1.87 115.22 120.60 3hmt n HIS 40 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3hmt n HIS 40 Cb 0.14 -0.38 0.79 0.00 1.12 0.00 0.00 29.99 31.67 3hmt n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3hmt n GLU 41 N -1.38 0.76 -4.22 -0.41 1.02 0.17 -4.86 120.64 111.72 3hmt n GLU 41 Ca 0.07 -0.09 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 3hmt n GLU 41 Cb 0.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 3hmt n GLU 41 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hmt s PHE 42 N -2.30 2.74 -0.22 -0.32 0.40 -0.78 -1.31 117.98 116.19 3hmt s PHE 42 Ca 0.37 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.38 3hmt s PHE 42 Cb 0.21 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3hmt s PHE 42 CO 0.42 0.43 0.41 0.21 0.70 0.00 0.00 175.22 177.39 3hmt s LYS 43 N -2.23 4.13 -0.09 0.44 2.20 0.75 -4.86 119.74 120.07 3hmt s LYS 43 Ca 0.22 0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 3hmt s LYS 43 Cb -0.11 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3hmt s LYS 43 CO 0.14 -0.12 0.26 0.21 -0.36 0.00 0.00 175.35 175.48 3hmt s LYS 44 N 1.57 3.81 -0.32 4.03 2.20 -1.26 -1.52 119.74 128.25 3hmt s LYS 44 Ca 0.19 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.92 3hmt s LYS 44 Cb -0.15 -3.26 0.09 0.00 -1.51 0.00 0.00 37.83 33.00 3hmt s LYS 44 CO 0.08 0.61 0.03 -1.12 -0.36 0.00 0.00 175.35 174.59 3hmt s SER 45 N -0.65 4.63 0.67 1.43 0.01 0.94 -4.99 113.70 115.75 3hmt s SER 45 Ca 0.18 -1.99 -0.16 0.00 1.31 0.00 0.00 55.95 55.29 3hmt s SER 45 Cb -0.14 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3hmt s SER 45 CO 0.07 -0.36 1.17 0.00 0.41 0.00 0.00 173.24 174.53 3hmt s ALA 46 N 1.01 2.34 -1.55 1.44 0.00 -1.26 -1.10 121.76 122.64 3hmt s ALA 46 Ca 0.08 0.80 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 3hmt s ALA 46 Cb -0.19 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3hmt s ALA 46 CO -0.09 -1.48 0.48 1.63 0.00 0.00 0.00 175.76 176.29 3hmt n LYS 47 N -2.31 -2.72 -3.86 0.00 5.02 0.07 -4.86 118.16 109.50 3hmt n LYS 47 Ca 0.12 0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 56.62 3hmt n LYS 47 Cb 0.51 -4.56 -0.13 0.00 -0.02 0.00 0.00 35.03 30.83 3hmt n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hmt s THR 48 N -3.78 0.02 0.35 -0.18 2.01 -0.43 -2.20 115.64 111.43 3hmt s THR 48 Ca 0.28 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3hmt s THR 48 Cb -0.16 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 3hmt s THR 48 CO 0.93 -0.09 0.16 0.28 -0.69 0.00 0.00 174.62 175.21 3hmt s THR 49 N -0.26 0.42 -0.14 -0.82 -1.32 -0.43 -1.80 115.64 111.30 3hmt s THR 49 Ca -0.03 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 3hmt s THR 49 Cb -0.02 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.50 3hmt s THR 49 CO 0.00 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.50 3hmt s LEU 50 N -3.47 2.57 -0.04 9.08 1.43 -1.26 -1.45 118.68 125.54 3hmt s LEU 50 Ca 0.32 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3hmt s LEU 50 Cb 0.04 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3hmt s LEU 50 CO 0.18 0.14 0.02 0.27 0.23 0.00 0.00 176.35 177.18 3hmt s ILE 51 N 0.52 4.35 0.11 -0.59 -4.36 -0.42 -4.92 121.20 115.90 3hmt s ILE 51 Ca -0.10 -0.39 -0.31 0.00 -0.26 0.00 0.00 60.65 59.60 3hmt s ILE 51 Cb -0.16 -2.90 -0.08 0.00 1.25 0.00 0.00 42.46 40.58 3hmt s ILE 51 CO 0.04 0.48 1.36 -0.54 0.24 0.00 0.00 174.94 176.53 3hmt s LYS 52 N -1.26 4.34 -0.21 0.37 1.02 -1.26 -2.58 119.74 120.16 3hmt s LYS 52 Ca 0.17 2.04 0.08 0.00 0.02 0.00 0.00 55.97 58.28 3hmt s LYS 52 Cb -0.12 -3.26 -0.18 0.00 -0.52 0.00 0.00 37.83 33.76 3hmt s LYS 52 CO 0.07 -0.41 -0.09 -0.89 -0.92 0.00 0.00 175.35 173.11 3hmt n ILE 53 N 3.89 1.28 -2.64 2.17 5.41 0.44 -4.86 119.36 125.05 3hmt n ILE 53 Ca 0.11 -0.62 -0.43 0.00 1.00 0.00 0.00 62.75 62.82 3hmt n ILE 53 Cb 0.43 -0.97 -0.02 0.00 -0.71 0.00 0.00 39.64 38.36 3hmt n ILE 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hmt s ASP 54 N -5.79 7.12 0.17 4.38 2.15 -0.83 -4.95 116.67 118.93 3hmt s ASP 54 Ca -0.21 1.47 -0.15 0.00 0.43 0.00 0.00 52.55 54.09 3hmt s ASP 54 Cb 0.07 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 40.28 3hmt s ASP 54 CO 0.62 -0.61 1.70 -0.65 -0.17 0.00 0.00 175.17 176.06 3hmt h PRO 55 N 7.42 0.13 -1.26 4.34 0.11 -1.92 -3.10 132.00 137.72 3hmt h PRO 55 Ca -0.24 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 3hmt h PRO 55 Cb 1.09 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 31.84 3hmt h PRO 55 CO 0.94 0.08 0.28 0.00 -0.21 0.00 0.00 178.00 179.09 3hmt n ALA 56 N -2.57 5.89 -2.70 -0.75 0.00 -1.26 -4.98 120.51 114.14 3hmt n ALA 56 Ca 0.04 -3.84 -0.40 0.00 0.00 0.00 0.00 53.44 49.25 3hmt n ALA 56 Cb 0.22 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 3hmt n ALA 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hmt s LEU 57 N -3.79 4.24 0.08 0.00 0.20 -1.17 -5.05 118.68 113.19 3hmt s LEU 57 Ca 0.56 0.99 -0.11 0.00 0.69 0.00 0.00 54.13 56.25 3hmt s LEU 57 Cb 0.45 -2.94 -0.06 0.00 -0.43 0.00 0.00 46.19 43.21 3hmt s LEU 57 CO -0.12 -0.16 0.43 -1.59 -0.29 0.00 0.00 176.35 174.62 3hmt s LYS 58 N 1.22 3.82 0.05 1.98 -2.85 -1.26 -5.08 119.74 117.62 3hmt s LYS 58 Ca 0.32 0.27 0.01 0.00 -1.00 0.00 0.00 55.97 55.56 3hmt s LYS 58 Cb -0.16 -3.01 -0.03 0.00 -2.06 0.00 0.00 37.83 32.57 3hmt s LYS 58 CO 0.13 0.56 -0.05 0.96 0.10 0.00 0.00 175.35 177.05 3hmt s ILE 59 N -1.38 0.34 0.07 3.79 -4.36 -1.26 -4.60 121.20 113.80 3hmt s ILE 59 Ca 0.33 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.41 3hmt s ILE 59 Cb -0.14 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 3hmt s ILE 59 CO 0.18 -0.66 0.02 -0.75 0.24 0.00 0.00 174.94 173.97 3hmt s LYS 60 N -2.49 2.67 0.12 0.37 2.47 -0.89 -4.94 119.74 117.04 3hmt s LYS 60 Ca -0.04 -0.76 0.01 0.00 -1.56 0.00 0.00 55.97 53.61 3hmt s LYS 60 Cb -0.03 -2.61 -0.04 0.00 -1.46 0.00 0.00 37.83 33.69 3hmt s LYS 60 CO -0.03 0.56 -0.02 0.95 0.16 0.00 0.00 175.35 176.97 3hmt s THR 61 N -1.29 0.51 -0.29 3.43 -4.23 -1.26 0.17 115.64 112.68 3hmt s THR 61 Ca 0.25 -1.92 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 3hmt s THR 61 Cb -0.12 -1.84 0.17 0.00 1.34 0.00 0.00 72.50 72.05 3hmt s THR 61 CO 0.18 -0.71 1.20 -0.75 -0.54 0.00 0.00 174.62 174.00 3hmt s LYS 62 N -3.91 0.23 0.02 3.99 2.20 -0.89 -4.96 119.74 116.42 3hmt s LYS 62 Ca 0.17 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 3hmt s LYS 62 Cb 0.06 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 3hmt s LYS 62 CO -0.02 -0.04 1.06 0.15 -0.36 0.00 0.00 175.35 176.15 3hmt s LYS 63 N 0.60 4.51 0.12 4.03 -0.14 -1.26 -0.47 119.74 127.12 3hmt s LYS 63 Ca -0.01 1.55 0.02 0.00 -1.36 0.00 0.00 55.97 56.17 3hmt s LYS 63 Cb -0.04 -3.42 -0.01 0.00 -1.68 0.00 0.00 37.83 32.68 3hmt s LYS 63 CO -0.12 -0.14 0.06 1.33 -0.76 0.00 0.00 175.35 175.72 3hmt n VAL 64 N 3.95 0.00 -0.10 3.17 0.24 0.16 -4.95 118.33 120.79 3hmt n VAL 64 Ca 0.07 -0.75 -0.18 0.00 -2.04 0.00 0.00 64.34 61.44 3hmt n VAL 64 Cb 0.49 0.31 -0.13 0.00 -1.47 0.00 0.00 33.84 33.05 3hmt n VAL 64 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hmt n ASN 65 N -2.15 1.90 -4.16 -1.34 3.02 -1.26 -4.73 115.26 106.53 3hmt n ASN 65 Ca -0.00 -0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 3hmt n ASN 65 Cb 0.19 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 3hmt n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hmt s THR 66 N -2.53 0.39 0.16 3.41 -4.23 -1.26 -5.02 115.64 106.56 3hmt s THR 66 Ca -0.31 -1.91 0.28 0.00 -1.18 0.00 0.00 61.69 58.57 3hmt s THR 66 Cb 0.08 -1.88 0.29 0.00 1.34 0.00 0.00 72.50 72.34 3hmt s THR 66 CO 0.65 -0.67 1.91 0.00 -0.54 0.00 0.00 174.62 175.97 3hmt h ALA 67 N 2.90 1.04 -0.31 3.99 0.00 -1.98 -2.78 119.26 122.14 3hmt h ALA 67 Ca -0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3hmt h ALA 67 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3hmt h ALA 67 CO 0.63 0.18 0.06 -0.44 0.00 0.00 0.00 179.25 179.67 3hmt h ASP 68 N 0.00 0.41 -0.56 0.00 5.19 -1.99 -1.51 116.42 117.96 3hmt h ASP 68 Ca -0.00 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 3hmt h ASP 68 Cb 0.62 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 3hmt h ASP 68 CO 0.02 0.43 0.09 1.56 -3.12 0.00 0.00 179.24 178.22 3hmt h GLN 69 N 0.44 0.92 -0.10 3.56 4.20 -1.91 -0.31 115.11 121.90 3hmt h GLN 69 Ca 0.10 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3hmt h GLN 69 Cb 0.20 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hmt h GLN 69 CO -0.00 0.89 0.04 0.00 -0.67 0.00 0.00 178.83 179.08 3hmt h ALA 71 N 1.06 0.65 -0.51 0.00 0.00 -1.17 -1.23 119.26 118.07 3hmt h ALA 71 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hmt h ALA 71 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hmt h ALA 71 CO -0.04 0.19 0.15 -0.91 0.00 0.00 0.00 179.25 178.63 3hmt h ASN 72 N 0.67 0.75 -0.00 0.00 2.35 -0.85 -1.14 115.58 117.36 3hmt h ASN 72 Ca 0.18 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3hmt h ASN 72 Cb 0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3hmt h ASN 72 CO -0.03 0.77 -0.21 0.03 -1.65 0.00 0.00 177.43 176.34 3hmt h ARG 73 N 0.70 0.37 0.18 0.81 3.08 -1.02 -2.51 114.38 115.98 3hmt h ARG 73 Ca 0.16 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3hmt h ARG 73 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hmt h ARG 73 CO -0.00 0.57 -0.09 0.00 -1.07 0.00 0.00 179.97 179.38 3hmt h THR 75 N -0.69 1.03 0.00 0.00 1.35 -1.22 -1.91 112.91 111.47 3hmt h THR 75 Ca -0.02 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3hmt h THR 75 Cb 0.49 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3hmt h THR 75 CO 0.04 0.12 -0.56 0.54 -0.25 0.00 0.00 175.52 175.41 3hmt n ARG 76 N -4.30 0.05 -1.61 4.72 1.74 -0.95 -4.94 116.66 111.37 3hmt n ARG 76 Ca -0.03 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 3hmt n ARG 76 Cb 0.20 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 3hmt n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hmt n ASN 77 N -1.59 -4.75 -4.66 0.55 5.03 -0.08 -4.90 115.26 104.85 3hmt n ASN 77 Ca 0.05 0.40 -0.43 0.00 0.87 0.00 0.00 54.58 55.48 3hmt n ASN 77 Cb 0.35 -4.24 -0.02 0.00 -1.02 0.00 0.00 39.78 34.85 3hmt n ASN 77 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hmt s LYS 78 N -3.67 4.17 0.00 3.52 1.02 -1.02 -2.54 119.74 121.22 3hmt s LYS 78 Ca 0.00 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.82 3hmt s LYS 78 Cb 0.00 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 3hmt s LYS 78 CO 0.00 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 3hmt n GLY 79 N 3.89 0.84 3.59 -3.33 0.00 -1.26 -4.91 105.19 104.00 3hmt n GLY 79 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3hmt n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hmt s LEU 80 N 0.00 3.44 -0.01 0.99 1.43 -1.05 -5.00 118.68 118.48 3hmt s LEU 80 Ca 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3hmt s LEU 80 Cb 0.00 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.48 3hmt s LEU 80 CO 0.00 0.26 0.94 -0.81 0.23 0.00 0.00 176.35 176.96 3hmt n PRO 81 N 2.96 1.23 -3.99 1.29 -0.04 -1.26 -4.86 135.00 130.34 3hmt n PRO 81 Ca -0.18 -0.28 -0.12 0.00 -0.04 0.00 0.00 63.50 62.88 3hmt n PRO 81 Cb 0.53 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 3hmt n PRO 81 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hmt s PHE 82 N -1.70 0.67 -0.43 0.54 -0.12 -1.26 -5.12 117.98 110.56 3hmt s PHE 82 Ca 0.05 -1.06 -0.24 0.00 -0.05 0.00 0.00 56.93 55.63 3hmt s PHE 82 Cb 0.03 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.69 3hmt s PHE 82 CO 0.03 -1.26 0.84 0.99 -0.05 0.00 0.00 175.22 175.77 3hmt s THR 83 N -2.95 4.60 -0.13 -4.49 2.01 -1.26 -4.92 115.64 108.51 3hmt s THR 83 Ca 0.25 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 3hmt s THR 83 Cb -0.02 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 3hmt s THR 83 CO 0.16 -0.69 1.63 0.00 -0.69 0.00 0.00 174.62 175.03 3hmt n LYS 85 N 7.34 0.87 -3.57 0.00 5.02 -0.53 -4.80 118.16 122.48 3hmt n LYS 85 Ca 0.18 -0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 3hmt n LYS 85 Cb 0.44 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3hmt n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hmt s ALA 86 N -2.96 -1.81 0.01 7.82 0.00 -1.21 -1.42 121.76 122.17 3hmt s ALA 86 Ca -0.00 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 3hmt s ALA 86 Cb 0.12 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3hmt s ALA 86 CO 0.74 -0.78 0.27 -0.59 0.00 0.00 0.00 175.76 175.39 3hmt s PHE 87 N -3.10 -0.10 -0.03 0.00 -0.12 0.07 -0.95 117.98 113.74 3hmt s PHE 87 Ca 0.07 0.08 0.04 0.00 -0.05 0.00 0.00 56.93 57.08 3hmt s PHE 87 Cb -0.01 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3hmt s PHE 87 CO -0.06 -0.40 -0.16 0.08 -0.05 0.00 0.00 175.22 174.63 3hmt s VAL 88 N -1.73 2.96 -0.22 -2.49 1.01 -0.00 -0.74 120.40 119.19 3hmt s VAL 88 Ca -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3hmt s VAL 88 Cb -0.04 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3hmt s VAL 88 CO 0.01 0.55 -0.03 0.12 0.00 0.00 0.00 175.10 175.75 3hmt s PHE 89 N -0.76 2.98 -0.59 5.22 5.36 -0.27 -1.14 117.98 128.77 3hmt s PHE 89 Ca 0.12 -0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 55.02 3hmt s PHE 89 Cb -0.11 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.50 3hmt s PHE 89 CO 0.01 -0.49 1.04 0.34 -1.46 0.00 0.00 175.22 174.67 3hmt s ASP 90 N 1.43 6.32 0.50 6.13 -1.08 0.08 -2.37 116.67 127.68 3hmt s ASP 90 Ca 0.05 -0.34 0.20 0.00 -0.52 0.00 0.00 52.55 51.94 3hmt s ASP 90 Cb -0.14 -2.48 1.27 0.00 -1.46 0.00 0.00 42.92 40.11 3hmt s ASP 90 CO -0.02 -1.39 2.07 0.11 0.52 0.00 0.00 175.17 176.47 3hmt h LYS 91 N 9.49 0.00 0.07 4.34 1.57 -0.74 0.43 116.57 131.74 3hmt h LYS 91 Ca -0.26 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 3hmt h LYS 91 Cb 1.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.38 3hmt h LYS 91 CO 1.15 0.11 -0.60 0.00 -0.57 0.00 0.00 179.45 179.54 3hmt h ALA 92 N 1.89 0.00 0.00 3.86 0.00 -1.90 -3.35 119.26 119.76 3hmt h ALA 92 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3hmt h ALA 92 Cb 0.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hmt h ALA 92 CO 0.01 0.31 -0.41 0.00 0.00 0.00 0.00 179.25 179.16 3hmt h ARG 93 N -0.66 0.00 -5.05 0.00 3.08 -1.90 -3.47 114.38 106.37 3hmt h ARG 93 Ca -0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.67 3hmt h ARG 93 Cb 1.38 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.58 3hmt h ARG 93 CO 0.05 0.00 -0.67 1.63 -1.07 0.00 0.00 179.97 179.92 3hmt n LYS 94 N -2.29 -4.48 -4.88 0.04 4.76 0.15 -4.79 118.16 106.68 3hmt n LYS 94 Ca 0.04 0.72 -0.25 0.00 -2.87 0.00 0.00 58.31 55.94 3hmt n LYS 94 Cb 0.45 -5.26 -0.15 0.00 -1.84 0.00 0.00 35.03 28.22 3hmt n LYS 94 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3hmt s GLN 95 N -4.85 1.51 0.03 1.97 0.74 -1.01 -0.67 119.66 117.37 3hmt s GLN 95 Ca 0.11 -0.65 -0.14 0.00 0.05 0.00 0.00 55.36 54.73 3hmt s GLN 95 Cb -0.01 -1.44 -0.06 0.00 1.10 0.00 0.00 33.01 32.59 3hmt s GLN 95 CO 0.61 0.38 0.42 0.00 -0.55 0.00 0.00 175.29 176.15 3hmt s LEU 97 N -1.29 2.62 -0.17 0.00 1.43 -0.29 -2.08 118.68 118.90 3hmt s LEU 97 Ca 0.26 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 3hmt s LEU 97 Cb -0.16 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3hmt s LEU 97 CO 0.15 -0.27 0.34 0.26 0.23 0.00 0.00 176.35 177.05 3hmt s TRP 98 N 1.41 3.44 -0.01 0.29 0.51 0.13 -0.82 118.94 123.89 3hmt s TRP 98 Ca -0.02 0.63 0.05 0.00 -2.12 0.00 0.00 56.10 54.63 3hmt s TRP 98 Cb -0.19 -2.41 -0.03 0.00 -0.81 0.00 0.00 33.47 30.04 3hmt s TRP 98 CO -0.08 0.17 -0.14 -0.06 -0.51 0.00 0.00 176.95 176.32 3hmt s PHE 99 N 0.69 2.69 -1.70 -1.98 0.08 -0.13 -2.09 117.98 115.55 3hmt s PHE 99 Ca 0.18 -0.17 0.29 0.00 0.12 0.00 0.00 56.93 57.35 3hmt s PHE 99 Cb -0.14 -1.57 1.35 0.00 -0.57 0.00 0.00 43.02 42.10 3hmt s PHE 99 CO 0.06 0.24 1.93 -0.35 -0.10 0.00 0.00 175.22 177.00 3hmt n PRO 100 N 1.92 0.73 -3.96 0.24 -0.04 -1.26 -1.46 135.00 131.17 3hmt n PRO 100 Ca -0.16 -0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.01 3hmt n PRO 100 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3hmt n PRO 100 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hmt s PHE 101 N -2.41 0.33 0.00 0.54 0.40 -1.26 -4.54 117.98 111.04 3hmt s PHE 101 Ca 0.32 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 3hmt s PHE 101 Cb 0.20 -0.20 0.00 0.00 0.51 0.00 0.00 43.02 43.53 3hmt s PHE 101 CO 0.45 -0.49 0.00 0.27 0.70 0.00 0.00 175.22 176.16 3hmt n ASN 102 N -0.00 0.79 0.27 1.36 0.23 -1.26 -4.48 115.26 112.16 3hmt n ASN 102 Ca -0.14 -1.01 0.18 0.00 -0.53 0.00 0.00 54.58 53.08 3hmt n ASN 102 Cb 0.62 -0.00 0.86 0.00 -2.08 0.00 0.00 39.78 39.18 3hmt n ASN 102 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3hmt h SER 103 N 0.00 0.00 0.94 0.53 4.64 -1.96 -2.76 113.55 114.93 3hmt h SER 103 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hmt h SER 103 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hmt h SER 103 CO 0.00 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.20 3hmt h MET 104 N 0.00 0.00 -6.74 4.77 2.86 -1.95 -3.44 114.93 110.43 3hmt h MET 104 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3hmt h MET 104 Cb 0.24 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3hmt h MET 104 CO 0.00 0.00 0.03 -1.54 1.06 0.00 0.00 176.91 176.46 3hmt s SER 105 N -4.84 6.45 0.52 1.22 1.04 -1.04 -4.98 113.70 112.06 3hmt s SER 105 Ca 0.04 0.96 0.32 0.00 0.48 0.00 0.00 55.95 57.75 3hmt s SER 105 Cb 0.09 -2.25 1.30 0.00 0.10 0.00 0.00 66.02 65.27 3hmt s SER 105 CO 0.47 -0.36 1.95 0.28 0.98 0.00 0.00 173.24 176.56 3hmt h SER 106 N 1.21 0.00 1.07 7.02 0.02 -1.89 -3.21 113.55 117.78 3hmt h SER 106 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3hmt h SER 106 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3hmt h SER 106 CO 0.64 0.00 0.00 1.23 -1.14 0.00 0.00 176.83 177.56 3hmt h GLY 107 N 2.13 0.00 -2.65 -3.77 0.00 -1.94 -3.43 103.07 93.41 3hmt h GLY 107 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3hmt h GLY 107 CO 0.00 0.00 -0.26 -1.34 0.00 0.00 0.00 176.54 174.94 3hmt s VAL 108 N -3.36 0.05 0.13 4.60 -7.23 -1.21 -0.42 120.40 112.96 3hmt s VAL 108 Ca 0.05 -1.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.69 3hmt s VAL 108 Cb 0.09 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 35.20 3hmt s VAL 108 CO 0.50 -0.22 0.49 -1.59 -0.31 0.00 0.00 175.10 173.97 3hmt s LYS 109 N -3.97 1.15 0.59 4.82 -2.85 -1.06 -4.64 119.74 113.77 3hmt s LYS 109 Ca 0.18 -0.56 -0.18 0.00 -1.00 0.00 0.00 55.97 54.41 3hmt s LYS 109 Cb 0.02 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3hmt s LYS 109 CO 0.01 -0.47 1.12 0.15 0.10 0.00 0.00 175.35 176.26 3hmt s LYS 110 N -3.63 3.14 -0.16 1.78 1.02 -1.26 -1.30 119.74 119.33 3hmt s LYS 110 Ca 0.01 1.51 -0.12 0.00 0.02 0.00 0.00 55.97 57.40 3hmt s LYS 110 Cb 0.00 -1.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.38 3hmt s LYS 110 CO -0.11 -1.00 0.40 -2.00 -0.92 0.00 0.00 175.35 171.71 3hmt s GLU 111 N -3.62 0.42 0.44 1.68 2.56 -0.53 -4.82 118.70 114.84 3hmt s GLU 111 Ca 0.70 0.65 -0.24 0.00 0.00 0.00 0.00 54.97 56.09 3hmt s GLU 111 Cb -0.22 0.11 -0.08 0.00 2.00 0.00 0.00 34.13 35.94 3hmt s GLU 111 CO 0.33 -0.10 1.17 0.12 -0.56 0.00 0.00 175.26 176.22 3hmt s PHE 112 N 0.74 2.93 -0.30 5.30 2.19 -1.26 -1.31 117.98 126.27 3hmt s PHE 112 Ca -0.04 1.54 -0.14 0.00 0.33 0.00 0.00 56.93 58.61 3hmt s PHE 112 Cb -0.05 -3.39 0.15 0.00 -1.31 0.00 0.00 43.02 38.41 3hmt s PHE 112 CO -0.05 -1.47 0.87 0.20 1.83 0.00 0.00 175.22 176.59 3hmt s GLY 113 N -1.28 -0.34 0.30 13.12 0.00 -0.93 -4.85 107.32 113.34 3hmt s GLY 113 Ca 0.62 2.83 0.01 0.00 0.00 0.00 0.00 44.72 48.17 3hmt s GLY 113 CO 0.36 3.04 1.90 0.45 0.00 0.00 0.00 173.10 178.85 3hmt h HIS 114 N 7.39 1.07 -0.16 1.90 3.86 -1.96 -2.79 115.15 124.45 3hmt h HIS 114 Ca -0.19 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3hmt h HIS 114 Cb 1.13 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3hmt h HIS 114 CO 0.17 0.55 0.00 -0.85 0.86 0.00 0.00 177.93 178.65 3hmt n GLU 115 N -4.50 1.60 -4.29 2.45 0.00 -1.26 -4.73 120.64 109.91 3hmt n GLU 115 Ca 0.14 -0.91 -0.29 0.00 0.00 0.00 0.00 57.16 56.10 3hmt n GLU 115 Cb 0.21 -1.35 -0.11 0.00 0.00 0.00 0.00 31.44 30.19 3hmt n GLU 115 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3hmt s PHE 116 N -1.80 2.56 -0.04 -1.84 0.08 -1.05 0.00 117.98 115.90 3hmt s PHE 116 Ca 0.29 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3hmt s PHE 116 Cb 0.15 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3hmt s PHE 116 CO 0.23 0.39 -0.05 -0.51 -0.10 0.00 0.00 175.22 175.18 3hmt s ASP 117 N -2.15 0.94 -0.16 1.36 1.01 -1.00 -0.75 116.67 115.93 3hmt s ASP 117 Ca 0.18 -0.14 -0.07 0.00 0.71 0.00 0.00 52.55 53.24 3hmt s ASP 117 Cb -0.11 -0.42 -0.04 0.00 1.01 0.00 0.00 42.92 43.37 3hmt s ASP 117 CO 0.11 -0.03 0.07 -0.22 0.21 0.00 0.00 175.17 175.31 3hmt s LEU 118 N 0.74 3.91 -0.20 1.23 2.96 -0.26 -1.12 118.68 125.94 3hmt s LEU 118 Ca -0.10 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3hmt s LEU 118 Cb -0.13 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3hmt s LEU 118 CO 0.00 0.25 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.87 3hmt s TYR 119 N -0.07 2.43 -0.18 5.38 2.02 0.08 -0.04 117.35 126.97 3hmt s TYR 119 Ca 0.07 -1.62 -0.04 0.00 -0.37 0.00 0.00 57.07 55.12 3hmt s TYR 119 Cb -0.12 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3hmt s TYR 119 CO 0.01 -0.75 -0.04 -1.21 -1.57 0.00 0.00 175.55 171.99 3hmt s GLU 120 N 1.39 3.53 0.17 -0.62 2.02 -0.58 -0.75 118.70 123.86 3hmt s GLU 120 Ca -0.02 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 3hmt s GLU 120 Cb -0.16 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.03 3hmt s GLU 120 CO -0.08 0.06 1.47 1.21 0.02 0.00 0.00 175.26 177.94 3hmt s ASN 121 N 0.82 6.69 0.66 -0.19 3.84 -0.51 -0.18 114.94 126.08 3hmt s ASN 121 Ca -0.01 2.53 0.41 0.00 0.21 0.00 0.00 52.86 55.99 3hmt s ASN 121 Cb -0.15 -2.60 2.23 0.00 -0.55 0.00 0.00 41.25 40.18 3hmt s ASN 121 CO 0.02 -0.73 2.28 0.11 -2.79 0.00 0.00 177.10 175.98 3hmt h LYS 122 N 6.31 0.00 0.00 0.43 1.57 -1.54 -2.50 116.57 120.84 3hmt h LYS 122 Ca -0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3hmt h LYS 122 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hmt h LYS 122 CO 0.86 0.00 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.14 3hmt h ASP 123 N 0.00 0.00 -0.21 0.86 3.32 -1.89 -2.78 116.42 115.72 3hmt h ASP 123 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hmt h ASP 123 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hmt h ASP 123 CO -0.00 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 3hmt n TYR 124 N -4.07 0.56 -4.37 4.55 4.02 -0.94 -5.01 117.16 111.89 3hmt n TYR 124 Ca -0.02 -0.77 -0.33 0.00 -0.01 0.00 0.00 57.90 56.76 3hmt n TYR 124 Cb 0.24 -0.19 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 3hmt n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hmt s ILE 125 N -2.22 4.11 0.00 -0.72 -1.09 -1.05 -5.01 121.20 115.23 3hmt s ILE 125 Ca 0.31 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 3hmt s ILE 125 Cb 0.24 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 3hmt s ILE 125 CO 0.08 0.48 0.00 0.54 -1.23 0.00 0.00 174.94 174.81