#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 5.52 0.00 2.89 0.01 -1.26 -4.83 114.94 117.28 3hmt s ASN 37 Ca 0.00 -0.18 0.27 0.00 -0.71 0.00 0.00 52.86 52.24 3hmt s ASN 37 Cb 0.00 -2.55 1.02 0.00 0.41 0.00 0.00 41.25 40.14 3hmt s ASN 37 CO 0.00 -2.28 1.73 0.35 -1.51 0.00 0.00 177.10 175.39 3hmt n THR 38 N 7.16 0.03 0.31 1.60 -2.24 -1.26 -4.20 114.28 115.68 3hmt n THR 38 Ca 0.22 -0.26 0.18 0.00 -2.27 0.00 0.00 64.05 61.92 3hmt n THR 38 Cb 0.50 0.47 1.03 0.00 -2.10 0.00 0.00 70.33 70.23 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 2.30 0.33 0.00 2.28 2.10 -1.88 -0.09 117.51 122.55 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 0.49 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 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 -3.56 0.00 1.48 2.19 8.25 -1.26 -1.99 115.22 120.34 3hmt n HIS 40 Ca -0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.58 3hmt n HIS 40 Cb 0.08 -0.30 0.69 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.30 0.68 -4.19 -0.41 1.02 -0.05 -4.87 120.64 111.51 3hmt n GLU 41 Ca 0.09 -0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 56.77 3hmt n GLU 41 Cb 0.16 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.43 2.82 -0.21 -0.32 0.40 -0.84 -1.14 117.98 116.25 3hmt s PHE 42 Ca 0.31 -0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.37 3hmt s PHE 42 Cb 0.20 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 3hmt s PHE 42 CO 0.45 0.44 0.41 0.21 0.70 0.00 0.00 175.22 177.44 3hmt s LYS 43 N -2.25 4.16 -0.10 0.44 2.20 0.88 -4.86 119.74 120.21 3hmt s LYS 43 Ca 0.23 0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 3hmt s LYS 43 Cb -0.11 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3hmt s LYS 43 CO 0.15 -0.09 0.26 0.21 -0.36 0.00 0.00 175.35 175.53 3hmt s LYS 44 N 1.46 3.85 -0.32 4.03 2.20 -1.26 -1.55 119.74 128.14 3hmt s LYS 44 Ca 0.19 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 3hmt s LYS 44 Cb -0.15 -3.28 0.09 0.00 -1.51 0.00 0.00 37.83 32.99 3hmt s LYS 44 CO 0.08 0.58 0.03 -1.12 -0.36 0.00 0.00 175.35 174.57 3hmt s SER 45 N -0.57 4.63 0.61 1.43 0.01 0.92 -4.99 113.70 115.74 3hmt s SER 45 Ca 0.18 -1.98 -0.17 0.00 1.31 0.00 0.00 55.95 55.29 3hmt s SER 45 Cb -0.14 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 3hmt s SER 45 CO 0.07 -0.35 1.13 0.00 0.41 0.00 0.00 173.24 174.49 3hmt s ALA 46 N 1.01 2.54 -1.61 1.44 0.00 -1.26 -0.83 121.76 123.05 3hmt s ALA 46 Ca 0.08 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 3hmt s ALA 46 Cb -0.19 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.68 3hmt s ALA 46 CO -0.09 -1.11 0.69 1.63 0.00 0.00 0.00 175.76 176.88 3hmt n LYS 47 N -1.93 -3.34 -3.93 0.00 5.02 0.19 -4.87 118.16 109.29 3hmt n LYS 47 Ca 0.11 0.39 -0.12 0.00 -2.02 0.00 0.00 58.31 56.67 3hmt n LYS 47 Cb 0.51 -4.95 -0.14 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.49 0.09 0.35 -0.18 2.01 -0.37 -1.92 115.64 112.13 3hmt s THR 48 Ca 0.53 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.41 3hmt s THR 48 Cb -0.29 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 3hmt s THR 48 CO 0.91 -0.04 0.16 0.28 -0.69 0.00 0.00 174.62 175.24 3hmt s THR 49 N -0.21 0.43 -0.12 -0.82 -1.32 -0.16 -1.98 115.64 111.46 3hmt s THR 49 Ca -0.02 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.47 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 2.60 -0.01 9.08 1.43 -1.26 -1.32 118.68 125.73 3hmt s LEU 50 Ca 0.32 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3hmt s LEU 50 Cb 0.04 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3hmt s LEU 50 CO 0.18 0.18 -0.06 0.27 0.23 0.00 0.00 176.35 177.14 3hmt s ILE 51 N 0.26 3.70 0.08 -0.59 -4.36 -0.48 -4.92 121.20 114.89 3hmt s ILE 51 Ca -0.11 -0.70 -0.31 0.00 -0.26 0.00 0.00 60.65 59.28 3hmt s ILE 51 Cb -0.16 -2.59 -0.07 0.00 1.25 0.00 0.00 42.46 40.89 3hmt s ILE 51 CO 0.06 0.44 1.35 -0.54 0.24 0.00 0.00 174.94 176.49 3hmt s LYS 52 N -1.30 4.34 -0.16 0.37 1.02 -1.26 -2.37 119.74 120.37 3hmt s LYS 52 Ca 0.16 1.99 0.09 0.00 0.02 0.00 0.00 55.97 58.23 3hmt s LYS 52 Cb -0.11 -3.33 -0.23 0.00 -0.52 0.00 0.00 37.83 33.64 3hmt s LYS 52 CO 0.06 -0.42 0.22 -0.89 -0.92 0.00 0.00 175.35 173.40 3hmt n ILE 53 N 4.07 1.54 -3.30 2.17 5.41 0.50 -4.80 119.36 124.96 3hmt n ILE 53 Ca 0.11 -0.74 -0.39 0.00 1.00 0.00 0.00 62.75 62.73 3hmt n ILE 53 Cb 0.43 -1.06 -0.08 0.00 -0.71 0.00 0.00 39.64 38.22 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 -6.16 6.39 0.60 4.38 2.15 -1.10 -4.97 116.67 117.95 3hmt s ASP 54 Ca -0.16 0.46 0.38 0.00 0.43 0.00 0.00 52.55 53.66 3hmt s ASP 54 Cb 0.07 -2.26 1.84 0.00 -0.30 0.00 0.00 42.92 42.28 3hmt s ASP 54 CO 0.77 -0.22 2.17 -0.65 -0.17 0.00 0.00 175.17 177.06 3hmt h PRO 55 N 7.95 0.00 -0.58 4.34 0.11 -1.93 -2.92 132.00 138.97 3hmt h PRO 55 Ca -0.31 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 3hmt h PRO 55 Cb 1.15 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3hmt h PRO 55 CO 0.70 0.02 0.13 0.00 -0.21 0.00 0.00 178.00 178.64 3hmt n ALA 56 N -2.12 4.10 -2.70 -0.75 0.00 -1.26 -4.96 120.51 112.83 3hmt n ALA 56 Ca -0.01 -2.33 -0.41 0.00 0.00 0.00 0.00 53.44 50.68 3hmt n ALA 56 Cb 0.19 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.95 4.27 -0.01 0.00 0.20 -1.10 -5.04 118.68 114.05 3hmt s LEU 57 Ca 0.52 1.27 -0.11 0.00 0.69 0.00 0.00 54.13 56.50 3hmt s LEU 57 Cb 0.41 -3.23 -0.05 0.00 -0.43 0.00 0.00 46.19 42.89 3hmt s LEU 57 CO 0.12 -0.26 0.33 -1.59 -0.29 0.00 0.00 176.35 174.66 3hmt s LYS 58 N 1.38 3.73 0.04 1.98 -2.85 -1.26 -5.09 119.74 117.67 3hmt s LYS 58 Ca 0.41 0.16 0.02 0.00 -1.00 0.00 0.00 55.97 55.56 3hmt s LYS 58 Cb -0.18 -3.14 -0.02 0.00 -2.06 0.00 0.00 37.83 32.43 3hmt s LYS 58 CO 0.18 0.67 -0.07 0.96 0.10 0.00 0.00 175.35 177.19 3hmt s ILE 59 N -1.18 0.51 0.03 3.79 -4.36 -1.26 -4.62 121.20 114.11 3hmt s ILE 59 Ca 0.25 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.57 3hmt s ILE 59 Cb -0.15 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 3hmt s ILE 59 CO 0.13 -0.39 0.12 -0.75 0.24 0.00 0.00 174.94 174.29 3hmt s LYS 60 N -1.58 3.15 0.09 0.37 2.47 -0.88 -4.93 119.74 118.42 3hmt s LYS 60 Ca -0.10 -0.51 0.02 0.00 -1.56 0.00 0.00 55.97 53.81 3hmt s LYS 60 Cb -0.10 -2.90 -0.04 0.00 -1.46 0.00 0.00 37.83 33.34 3hmt s LYS 60 CO 0.00 0.62 -0.07 0.95 0.16 0.00 0.00 175.35 177.01 3hmt s THR 61 N -1.34 0.67 -0.28 3.43 -4.23 -1.26 -0.02 115.64 112.61 3hmt s THR 61 Ca 0.28 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 3hmt s THR 61 Cb -0.12 -1.47 0.13 0.00 1.34 0.00 0.00 72.50 72.37 3hmt s THR 61 CO 0.20 -0.77 1.00 -0.75 -0.54 0.00 0.00 174.62 173.76 3hmt s LYS 62 N -3.38 0.46 -0.13 3.99 2.20 -0.91 -4.97 119.74 117.00 3hmt s LYS 62 Ca 0.08 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.04 3hmt s LYS 62 Cb 0.02 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 3hmt s LYS 62 CO -0.04 -0.07 0.97 0.15 -0.36 0.00 0.00 175.35 176.01 3hmt s LYS 63 N 0.66 4.38 0.00 4.03 -0.14 -1.26 -0.22 119.74 127.18 3hmt s LYS 63 Ca -0.01 1.31 0.00 0.00 -1.36 0.00 0.00 55.97 55.90 3hmt s LYS 63 Cb -0.05 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 3hmt s LYS 63 CO -0.10 -0.35 0.00 1.33 -0.76 0.00 0.00 175.35 175.47 3hmt n VAL 64 N 4.68 0.00 -0.13 3.17 0.24 0.61 -4.96 118.33 121.94 3hmt n VAL 64 Ca 0.08 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.18 3hmt n VAL 64 Cb 0.48 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.86 2.01 -4.24 -1.34 3.02 -1.26 -4.71 115.26 106.86 3hmt n ASN 65 Ca 0.00 -0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 3hmt n ASN 65 Cb 0.00 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 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 -2.51 0.98 0.13 3.41 -4.23 -1.26 -5.02 115.64 107.15 3hmt s THR 66 Ca -0.35 -2.02 0.31 0.00 -1.18 0.00 0.00 61.69 58.45 3hmt s THR 66 Cb 0.10 -1.92 0.35 0.00 1.34 0.00 0.00 72.50 72.38 3hmt s THR 66 CO 0.56 -0.68 1.96 0.00 -0.54 0.00 0.00 174.62 175.92 3hmt h ALA 67 N 2.77 1.02 -0.16 3.99 0.00 -1.98 -2.61 119.26 122.29 3hmt h ALA 67 Ca -0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3hmt h ALA 67 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hmt h ALA 67 CO 0.64 0.07 -0.16 -0.44 0.00 0.00 0.00 179.25 179.35 3hmt h ASP 68 N 0.00 0.24 -0.55 0.00 3.45 -1.99 -1.94 116.42 115.63 3hmt h ASP 68 Ca -0.00 -0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.30 3hmt h ASP 68 Cb 0.55 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3hmt h ASP 68 CO 0.01 0.43 -0.03 1.56 -1.57 0.00 0.00 179.24 179.63 3hmt h GLN 69 N 0.24 1.02 -0.22 3.56 4.20 -1.89 -0.79 115.11 121.22 3hmt h GLN 69 Ca 0.05 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3hmt h GLN 69 Cb 0.43 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3hmt h GLN 69 CO 0.03 1.02 0.12 0.00 -0.67 0.00 0.00 178.83 179.32 3hmt h ALA 71 N 1.00 0.67 -0.40 0.00 0.00 -1.26 -1.00 119.26 118.26 3hmt h ALA 71 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hmt h ALA 71 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hmt h ALA 71 CO -0.01 0.36 0.13 -0.91 0.00 0.00 0.00 179.25 178.82 3hmt h ASN 72 N 0.70 0.57 -0.42 0.00 2.35 -1.04 -1.24 115.58 116.50 3hmt h ASN 72 Ca 0.16 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3hmt h ASN 72 Cb 0.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3hmt h ASN 72 CO 0.00 0.62 0.07 0.03 -1.65 0.00 0.00 177.43 176.50 3hmt h ARG 73 N 0.50 0.78 0.34 0.81 3.08 -1.18 -2.40 114.38 116.31 3hmt h ARG 73 Ca 0.13 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hmt h ARG 73 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hmt h ARG 73 CO -0.01 0.75 -0.16 0.00 -1.07 0.00 0.00 179.97 179.48 3hmt h THR 75 N -0.71 1.13 0.00 0.00 1.35 -1.22 -1.83 112.91 111.63 3hmt h THR 75 Ca -0.05 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3hmt h THR 75 Cb 0.49 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3hmt h THR 75 CO 0.08 0.16 -0.39 0.54 -0.25 0.00 0.00 175.52 175.66 3hmt n ARG 76 N -4.40 0.15 -1.98 4.72 1.74 -0.91 -4.93 116.66 111.06 3hmt n ARG 76 Ca 0.01 0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 3hmt n ARG 76 Cb 0.15 -1.61 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.84 -5.69 -4.63 0.55 5.03 -0.12 -4.91 115.26 103.65 3hmt n ASN 77 Ca 0.05 0.27 -0.43 0.00 0.87 0.00 0.00 54.58 55.34 3hmt n ASN 77 Cb 0.39 -4.88 -0.02 0.00 -1.02 0.00 0.00 39.78 34.24 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 -4.37 3.86 0.00 3.52 1.02 -0.91 -2.61 119.74 120.24 3hmt s LYS 78 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.50 3hmt s LYS 78 Cb 0.00 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 3hmt s LYS 78 CO 0.00 -1.20 0.00 0.41 -0.92 0.00 0.00 175.35 173.64 3hmt n GLY 79 N 4.49 0.77 3.59 -3.33 0.00 -1.26 -4.90 105.19 104.54 3hmt n GLY 79 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 3.48 -0.03 0.99 1.43 -1.07 -5.00 118.68 118.47 3hmt s LEU 80 Ca 0.00 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3hmt s LEU 80 Cb 0.00 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.50 3hmt s LEU 80 CO 0.00 0.24 0.68 -0.81 0.23 0.00 0.00 176.35 176.69 3hmt n PRO 81 N 3.07 1.55 -3.83 1.29 -0.04 -1.26 -4.85 135.00 130.93 3hmt n PRO 81 Ca -0.18 -0.45 -0.07 0.00 -0.04 0.00 0.00 63.50 62.77 3hmt n PRO 81 Cb 0.53 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.26 -0.04 -0.36 0.54 -0.12 -1.26 -5.12 117.98 110.37 3hmt s PHE 82 Ca 0.08 -0.51 -0.25 0.00 -0.05 0.00 0.00 56.93 56.20 3hmt s PHE 82 Cb 0.06 0.76 0.01 0.00 -0.63 0.00 0.00 43.02 43.22 3hmt s PHE 82 CO 0.02 -1.34 0.89 0.99 -0.05 0.00 0.00 175.22 175.73 3hmt s THR 83 N -3.08 4.63 -0.19 -4.49 2.01 -1.26 -4.92 115.64 108.34 3hmt s THR 83 Ca 0.14 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 3hmt s THR 83 Cb -0.05 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 3hmt s THR 83 CO 0.09 -0.48 1.46 0.00 -0.69 0.00 0.00 174.62 175.00 3hmt n LYS 85 N 7.21 0.96 -3.55 0.00 5.02 -0.65 -4.78 118.16 122.37 3hmt n LYS 85 Ca 0.16 -0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 3hmt n LYS 85 Cb 0.45 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.81 -1.95 0.01 7.82 0.00 -1.21 -1.60 121.76 122.02 3hmt s ALA 86 Ca 0.04 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 3hmt s ALA 86 Cb 0.13 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3hmt s ALA 86 CO 0.75 -0.64 0.19 -0.59 0.00 0.00 0.00 175.76 175.47 3hmt s PHE 87 N -2.76 -0.01 -0.04 0.00 -0.12 0.10 -0.96 117.98 114.19 3hmt s PHE 87 Ca 0.07 -0.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 3hmt s PHE 87 Cb -0.01 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3hmt s PHE 87 CO -0.07 -0.34 -0.13 0.08 -0.05 0.00 0.00 175.22 174.72 3hmt s VAL 88 N -1.62 3.21 -0.23 -2.49 1.01 0.11 -0.76 120.40 119.64 3hmt s VAL 88 Ca -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3hmt s VAL 88 Cb -0.06 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3hmt s VAL 88 CO 0.01 0.55 -0.02 0.12 0.00 0.00 0.00 175.10 175.76 3hmt s PHE 89 N -0.79 3.00 -0.56 5.22 5.36 -0.24 -0.82 117.98 129.15 3hmt s PHE 89 Ca 0.13 -0.96 -0.26 0.00 -0.96 0.00 0.00 56.93 54.87 3hmt s PHE 89 Cb -0.11 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3hmt s PHE 89 CO 0.02 -0.55 1.08 0.34 -1.46 0.00 0.00 175.22 174.65 3hmt s ASP 90 N 1.48 6.41 0.49 6.13 -1.08 0.06 -2.42 116.67 127.73 3hmt s ASP 90 Ca 0.05 -0.08 0.23 0.00 -0.52 0.00 0.00 52.55 52.23 3hmt s ASP 90 Cb -0.15 -2.50 1.27 0.00 -1.46 0.00 0.00 42.92 40.07 3hmt s ASP 90 CO -0.02 -1.36 2.03 0.11 0.52 0.00 0.00 175.17 176.44 3hmt h LYS 91 N 9.43 0.00 0.04 4.34 1.57 -0.84 0.30 116.57 131.41 3hmt h LYS 91 Ca -0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 3hmt h LYS 91 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3hmt h LYS 91 CO 1.14 0.16 -0.55 0.00 -0.57 0.00 0.00 179.45 179.63 3hmt h ALA 92 N 1.84 0.05 0.00 3.86 0.00 -1.90 -3.35 119.26 119.76 3hmt h ALA 92 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hmt h ALA 92 Cb 0.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hmt h ALA 92 CO 0.02 0.30 -0.24 0.00 0.00 0.00 0.00 179.25 179.33 3hmt h ARG 93 N -0.79 0.00 -4.89 0.00 3.08 -1.91 -3.47 114.38 106.40 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 1.28 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.46 3hmt h ARG 93 CO 0.00 0.00 -0.61 1.63 -1.07 0.00 0.00 179.97 179.92 3hmt n LYS 94 N -2.45 -5.02 -4.94 0.04 4.76 0.10 -4.79 118.16 105.86 3hmt n LYS 94 Ca 0.04 0.67 -0.27 0.00 -2.87 0.00 0.00 58.31 55.89 3hmt n LYS 94 Cb 0.47 -5.15 -0.16 0.00 -1.84 0.00 0.00 35.03 28.34 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 -5.01 1.79 0.04 1.97 0.74 -1.02 -0.28 119.66 117.88 3hmt s GLN 95 Ca 0.02 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.58 3hmt s GLN 95 Cb -0.00 -1.61 -0.06 0.00 1.10 0.00 0.00 33.01 32.43 3hmt s GLN 95 CO 0.58 0.34 0.51 0.00 -0.55 0.00 0.00 175.29 176.16 3hmt s LEU 97 N -1.03 2.97 -0.15 0.00 1.43 0.00 -2.14 118.68 119.76 3hmt s LEU 97 Ca 0.27 -1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 51.84 3hmt s LEU 97 Cb -0.18 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3hmt s LEU 97 CO 0.17 -0.26 0.32 0.26 0.23 0.00 0.00 176.35 177.06 3hmt s TRP 98 N 1.30 3.48 0.02 0.29 0.51 0.98 -0.71 118.94 124.80 3hmt s TRP 98 Ca -0.03 0.64 0.06 0.00 -2.12 0.00 0.00 56.10 54.66 3hmt s TRP 98 Cb -0.19 -2.36 -0.03 0.00 -0.81 0.00 0.00 33.47 30.08 3hmt s TRP 98 CO -0.08 0.25 -0.17 -0.06 -0.51 0.00 0.00 176.95 176.38 3hmt s PHE 99 N 0.43 2.59 -1.60 -1.98 0.08 -0.13 -2.06 117.98 115.31 3hmt s PHE 99 Ca 0.18 -0.23 0.29 0.00 0.12 0.00 0.00 56.93 57.28 3hmt s PHE 99 Cb -0.13 -1.50 1.26 0.00 -0.57 0.00 0.00 43.02 42.07 3hmt s PHE 99 CO 0.05 0.23 1.88 -0.35 -0.10 0.00 0.00 175.22 176.93 3hmt n PRO 100 N 1.74 0.63 -3.95 0.24 -0.04 -1.26 -1.64 135.00 130.71 3hmt n PRO 100 Ca -0.16 -0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.02 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 -2.50 0.34 0.09 0.54 0.40 -1.26 -4.52 117.98 111.07 3hmt s PHE 101 Ca 0.28 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3hmt s PHE 101 Cb 0.20 -0.18 0.01 0.00 0.51 0.00 0.00 43.02 43.56 3hmt s PHE 101 CO 0.48 -0.52 0.08 0.27 0.70 0.00 0.00 175.22 176.22 3hmt n ASN 102 N -0.04 1.07 0.28 1.36 0.23 -1.26 -4.50 115.26 112.39 3hmt n ASN 102 Ca -0.13 -1.30 0.19 0.00 -0.53 0.00 0.00 54.58 52.81 3hmt n ASN 102 Cb 0.62 -0.02 0.96 0.00 -2.08 0.00 0.00 39.78 39.26 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 0.09 0.00 1.07 0.53 4.64 -1.97 -2.58 113.55 115.33 3hmt h SER 103 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hmt h SER 103 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hmt h SER 103 CO 0.08 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.28 3hmt h MET 104 N 0.00 0.00 -7.00 4.77 2.86 -1.94 -3.45 114.93 110.17 3hmt h MET 104 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 3hmt h MET 104 Cb 0.09 0.00 0.04 0.00 0.06 0.00 0.00 31.60 31.80 3hmt h MET 104 CO 0.00 0.00 0.15 -1.54 1.06 0.00 0.00 176.91 176.58 3hmt s SER 105 N -4.97 6.14 0.19 1.22 1.04 -0.97 -4.98 113.70 111.36 3hmt s SER 105 Ca 0.04 0.92 0.25 0.00 0.48 0.00 0.00 55.95 57.65 3hmt s SER 105 Cb 0.09 -2.16 0.89 0.00 0.10 0.00 0.00 66.02 64.94 3hmt s SER 105 CO 0.50 -0.69 1.76 -1.20 0.98 0.00 0.00 173.24 174.60 3hmt n SER 106 N -2.36 0.65 0.25 7.02 7.64 -1.26 -3.63 113.62 121.94 3hmt n SER 106 Ca 0.02 0.59 0.14 0.00 1.01 0.00 0.00 58.87 60.63 3hmt n SER 106 Cb 0.55 -0.75 0.42 0.00 -1.01 0.00 0.00 64.21 63.42 3hmt n SER 106 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hmt h GLY 107 N 3.90 0.00 -2.64 0.23 0.00 -1.93 -3.44 103.07 99.18 3hmt h GLY 107 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3hmt h GLY 107 CO 0.00 0.00 -0.40 -1.34 0.00 0.00 0.00 176.54 174.80 3hmt s VAL 108 N -3.43 0.05 0.08 4.60 -7.23 -1.24 -0.37 120.40 112.86 3hmt s VAL 108 Ca 0.04 -1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 3hmt s VAL 108 Cb 0.07 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.98 3hmt s VAL 108 CO 0.61 -0.21 0.47 -1.59 -0.31 0.00 0.00 175.10 174.07 3hmt s LYS 109 N -4.03 1.05 0.61 4.82 -2.85 -1.00 -4.67 119.74 113.67 3hmt s LYS 109 Ca 0.24 -0.44 -0.17 0.00 -1.00 0.00 0.00 55.97 54.59 3hmt s LYS 109 Cb 0.04 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 3hmt s LYS 109 CO 0.04 -0.40 1.14 0.15 0.10 0.00 0.00 175.35 176.38 3hmt s LYS 110 N -3.04 3.00 -0.15 1.78 1.02 -1.26 -1.38 119.74 119.71 3hmt s LYS 110 Ca -0.02 1.57 -0.12 0.00 0.02 0.00 0.00 55.97 57.42 3hmt s LYS 110 Cb 0.00 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 3hmt s LYS 110 CO -0.06 -1.12 0.40 -2.00 -0.92 0.00 0.00 175.35 171.64 3hmt s GLU 111 N -3.64 0.44 0.44 1.68 2.56 -0.43 -4.82 118.70 114.92 3hmt s GLU 111 Ca 0.71 0.62 -0.24 0.00 0.00 0.00 0.00 54.97 56.07 3hmt s GLU 111 Cb -0.24 0.15 -0.08 0.00 2.00 0.00 0.00 34.13 35.96 3hmt s GLU 111 CO 0.35 -0.09 1.16 0.12 -0.56 0.00 0.00 175.26 176.24 3hmt s PHE 112 N 0.58 2.96 -0.30 5.30 2.19 -1.26 -0.99 117.98 126.46 3hmt s PHE 112 Ca -0.03 1.55 -0.13 0.00 0.33 0.00 0.00 56.93 58.65 3hmt s PHE 112 Cb -0.05 -3.36 0.15 0.00 -1.31 0.00 0.00 43.02 38.45 3hmt s PHE 112 CO -0.03 -1.38 0.84 0.20 1.83 0.00 0.00 175.22 176.68 3hmt s GLY 113 N -1.31 -0.41 0.29 13.12 0.00 -0.81 -4.83 107.32 113.37 3hmt s GLY 113 Ca 0.61 2.75 0.02 0.00 0.00 0.00 0.00 44.72 48.10 3hmt s GLY 113 CO 0.35 3.08 1.86 0.45 0.00 0.00 0.00 173.10 178.85 3hmt h HIS 114 N 7.56 1.09 -0.25 1.90 3.86 -1.96 -2.73 115.15 124.62 3hmt h HIS 114 Ca -0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3hmt h HIS 114 Cb 1.12 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.24 3hmt h HIS 114 CO 0.17 0.48 0.00 -0.85 0.86 0.00 0.00 177.93 178.59 3hmt n GLU 115 N -4.57 1.80 -4.41 2.45 0.00 -1.26 -4.74 120.64 109.92 3hmt n GLU 115 Ca 0.17 -1.23 -0.30 0.00 0.00 0.00 0.00 57.16 55.81 3hmt n GLU 115 Cb 0.31 -1.36 -0.12 0.00 0.00 0.00 0.00 31.44 30.28 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 -1.67 2.52 -0.04 -1.84 0.08 -1.03 -0.13 117.98 115.87 3hmt s PHE 116 Ca 0.30 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.09 3hmt s PHE 116 Cb 0.16 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3hmt s PHE 116 CO 0.23 0.34 -0.08 -0.51 -0.10 0.00 0.00 175.22 175.10 3hmt s ASP 117 N -1.94 1.24 -0.15 1.36 1.01 -1.02 -0.64 116.67 116.53 3hmt s ASP 117 Ca 0.17 -0.19 -0.05 0.00 0.71 0.00 0.00 52.55 53.18 3hmt s ASP 117 Cb -0.10 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 3hmt s ASP 117 CO 0.08 0.03 0.02 -0.22 0.21 0.00 0.00 175.17 175.30 3hmt s LEU 118 N 0.44 3.63 -0.20 1.23 2.96 -0.01 -1.08 118.68 125.65 3hmt s LEU 118 Ca -0.07 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3hmt s LEU 118 Cb -0.11 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.73 3hmt s LEU 118 CO 0.01 0.22 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.85 3hmt s TYR 119 N 0.06 2.48 -0.19 5.38 2.02 0.07 -0.06 117.35 127.11 3hmt s TYR 119 Ca 0.03 -1.65 -0.05 0.00 -0.37 0.00 0.00 57.07 55.04 3hmt s TYR 119 Cb -0.13 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3hmt s TYR 119 CO 0.01 -0.76 -0.01 -1.21 -1.57 0.00 0.00 175.55 172.02 3hmt s GLU 120 N 1.37 3.60 0.15 -0.62 2.02 -0.60 -0.73 118.70 123.90 3hmt s GLU 120 Ca -0.02 -0.53 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 3hmt s GLU 120 Cb -0.16 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 30.93 3hmt s GLU 120 CO -0.08 0.03 1.54 1.21 0.02 0.00 0.00 175.26 177.98 3hmt s ASN 121 N 0.94 6.64 0.62 -0.19 3.84 -0.62 -0.08 114.94 126.07 3hmt s ASN 121 Ca 0.01 2.55 0.32 0.00 0.21 0.00 0.00 52.86 55.95 3hmt s ASN 121 Cb -0.14 -2.59 1.79 0.00 -0.55 0.00 0.00 41.25 39.76 3hmt s ASN 121 CO 0.02 -0.79 2.12 0.11 -2.79 0.00 0.00 177.10 175.76 3hmt h LYS 122 N 6.89 0.00 0.00 0.43 1.57 -1.47 -2.34 116.57 121.64 3hmt h LYS 122 Ca -0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3hmt h LYS 122 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hmt h LYS 122 CO 0.91 0.00 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.34 3hmt h ASP 123 N 0.00 0.00 -0.20 0.86 3.32 -1.89 -2.67 116.42 115.84 3hmt h ASP 123 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hmt h ASP 123 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3hmt h ASP 123 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3hmt n TYR 124 N -4.38 0.68 -4.55 4.55 4.02 -0.88 -5.01 117.16 111.59 3hmt n TYR 124 Ca -0.03 -0.88 -0.34 0.00 -0.01 0.00 0.00 57.90 56.64 3hmt n TYR 124 Cb 0.09 -0.26 -0.11 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.72 3.88 0.00 -0.72 -1.09 -1.01 -4.99 121.20 114.55 3hmt s ILE 125 Ca 0.38 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3hmt s ILE 125 Cb 0.31 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.59 3hmt s ILE 125 CO 0.08 0.60 0.00 0.54 -1.23 0.00 0.00 174.94 174.93