#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmr n THR 39 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -4.81 114.28 111.50 3hmr n THR 39 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hmr n THR 39 Cb 0.00 1.96 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 3hmr n THR 39 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3hmr n LEU 40 N -0.00 0.00 0.00 3.22 -0.00 -1.26 -2.12 117.00 116.84 3hmr n LEU 40 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 56.01 56.09 3hmr n LEU 40 Cb 0.24 -0.04 0.21 0.00 -0.00 0.00 0.00 43.42 43.83 3hmr n LEU 40 CO 0.00 -0.04 0.47 1.41 -0.00 0.00 0.00 177.39 179.23 3hmr n HIS 41 N -0.93 0.00 0.81 1.96 -0.00 -1.26 -1.92 115.22 113.87 3hmr n HIS 41 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 3hmr n HIS 41 Cb 0.01 0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.23 3hmr n HIS 41 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3hmr n GLU 42 N -0.69 2.26 -4.32 -0.41 1.02 -0.90 -4.92 120.64 112.68 3hmr n GLU 42 Ca 0.05 -1.86 -0.24 0.00 -0.02 0.00 0.00 57.16 55.09 3hmr n GLU 42 Cb 0.02 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.85 3hmr n GLU 42 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hmr s PHE 43 N -1.77 1.88 -0.28 -0.32 0.40 -0.81 -1.23 117.98 115.85 3hmr s PHE 43 Ca 0.34 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 3hmr s PHE 43 Cb 0.21 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 3hmr s PHE 43 CO 0.31 0.29 0.24 0.21 0.70 0.00 0.00 175.22 176.97 3hmr s LYS 44 N -2.32 3.92 -0.12 0.44 2.20 0.92 -4.85 119.74 119.93 3hmr s LYS 44 Ca 0.12 -0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 55.33 3hmr s LYS 44 Cb -0.08 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 3hmr s LYS 44 CO 0.06 -0.23 0.32 0.21 -0.36 0.00 0.00 175.35 175.35 3hmr s LYS 45 N 1.84 4.13 -0.24 4.03 2.20 -1.26 -1.32 119.74 129.12 3hmr s LYS 45 Ca 0.09 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3hmr s LYS 45 Cb -0.16 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.86 3hmr s LYS 45 CO 0.11 0.37 0.01 -1.12 -0.36 0.00 0.00 175.35 174.36 3hmr s SER 46 N 0.05 3.62 0.73 1.43 0.01 0.39 -5.00 113.70 114.92 3hmr s SER 46 Ca 0.19 -1.21 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 3hmr s SER 46 Cb -0.14 -0.93 0.03 0.00 0.21 0.00 0.00 66.02 65.19 3hmr s SER 46 CO 0.06 -0.31 1.09 0.00 0.41 0.00 0.00 173.24 174.50 3hmr s ALA 47 N 1.58 2.38 -1.47 1.44 0.00 -1.26 -0.54 121.76 123.89 3hmr s ALA 47 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 3hmr s ALA 47 Cb -0.18 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3hmr s ALA 47 CO -0.11 -1.54 0.50 1.63 0.00 0.00 0.00 175.76 176.24 3hmr n LYS 48 N -3.11 -3.34 -3.99 0.00 5.02 0.46 -4.83 118.16 108.36 3hmr n LYS 48 Ca 0.09 0.40 -0.09 0.00 -2.02 0.00 0.00 58.31 56.69 3hmr n LYS 48 Cb 0.53 -4.66 -0.11 0.00 -0.02 0.00 0.00 35.03 30.77 3hmr n LYS 48 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hmr s THR 49 N -3.82 0.14 0.14 -0.18 2.01 -0.50 -2.64 115.64 110.79 3hmr s THR 49 Ca 0.16 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3hmr s THR 49 Cb -0.09 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3hmr s THR 49 CO 0.89 -0.50 0.00 0.42 -0.69 0.00 0.00 174.62 174.75 3hmr s THR 50 N -1.49 0.51 -0.11 -0.82 -4.23 -0.59 -3.57 115.64 105.35 3hmr s THR 50 Ca -0.15 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 3hmr s THR 50 Cb -0.10 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 3hmr s THR 50 CO -0.01 -0.57 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.52 3hmr s LEU 51 N -3.11 2.23 0.01 4.79 1.43 -1.26 -0.70 118.68 122.08 3hmr s LEU 51 Ca 0.21 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3hmr s LEU 51 Cb 0.06 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3hmr s LEU 51 CO 0.01 0.16 -0.16 -0.89 0.23 0.00 0.00 176.35 175.70 3hmr s THR 52 N 0.33 1.27 -0.27 5.49 2.01 0.15 -4.95 115.64 119.66 3hmr s THR 52 Ca -0.17 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3hmr s THR 52 Cb -0.17 -1.09 0.15 0.00 0.01 0.00 0.00 72.50 71.39 3hmr s THR 52 CO 0.08 0.22 0.38 -0.75 -0.69 0.00 0.00 174.62 173.86 3hmr s LYS 53 N -0.74 0.37 -0.22 4.92 2.20 -1.26 0.42 119.74 125.44 3hmr s LYS 53 Ca 0.05 0.21 -0.33 0.00 -0.36 0.00 0.00 55.97 55.54 3hmr s LYS 53 Cb -0.07 -0.44 -0.10 0.00 -1.51 0.00 0.00 37.83 35.71 3hmr s LYS 53 CO 0.00 -0.90 2.07 0.39 -0.36 0.00 0.00 175.35 176.55 3hmr n GLU 54 N 5.35 1.72 -3.09 4.03 1.02 -1.26 -4.87 120.64 123.54 3hmr n GLU 54 Ca -0.01 0.55 0.05 0.00 -0.02 0.00 0.00 57.16 57.73 3hmr n GLU 54 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 3hmr n GLU 54 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hmr s ASP 55 N 6.23 -0.12 0.56 1.62 -1.08 -1.26 -5.04 116.67 117.57 3hmr s ASP 55 Ca 1.01 0.00 0.26 0.00 -0.52 0.00 0.00 52.55 53.30 3hmr s ASP 55 Cb -0.67 0.96 1.48 0.00 -1.46 0.00 0.00 42.92 43.22 3hmr s ASP 55 CO 0.47 -0.02 2.02 -0.65 0.52 0.00 0.00 175.17 177.51 3hmr h PRO 56 N 6.82 0.00 -1.58 4.34 0.11 -2.08 -2.63 132.00 136.98 3hmr h PRO 56 Ca -0.10 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.58 3hmr h PRO 56 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 3hmr h PRO 56 CO -0.15 0.00 0.48 1.28 -0.21 0.00 0.00 178.00 179.41 3hmr n LEU 57 N -4.12 6.66 -3.52 2.35 4.77 -1.26 -4.76 117.00 117.12 3hmr n LEU 57 Ca 0.06 -3.65 -0.23 0.00 -0.03 0.00 0.00 56.01 52.16 3hmr n LEU 57 Cb 0.50 -1.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 3hmr n LEU 57 CO 0.33 1.40 -0.27 -0.76 -1.33 0.00 0.00 177.39 176.75 3hmr s LEU 58 N -2.22 0.18 -0.34 2.23 1.43 -0.99 -5.11 118.68 113.87 3hmr s LEU 58 Ca 0.43 -0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 3hmr s LEU 58 Cb 0.32 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.55 3hmr s LEU 58 CO -0.07 -0.38 0.50 -1.59 0.23 0.00 0.00 176.35 175.04 3hmr s LYS 59 N 2.21 3.68 -0.19 1.70 -2.85 -1.26 -5.01 119.74 118.02 3hmr s LYS 59 Ca 0.07 -0.12 -0.25 0.00 -1.00 0.00 0.00 55.97 54.67 3hmr s LYS 59 Cb -0.16 -3.79 -0.01 0.00 -2.06 0.00 0.00 37.83 31.82 3hmr s LYS 59 CO -0.23 -0.60 0.85 0.42 0.10 0.00 0.00 175.35 175.89 3hmr s ILE 60 N 2.36 4.85 0.14 3.79 1.01 -1.26 -5.01 121.20 127.08 3hmr s ILE 60 Ca 0.18 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.18 3hmr s ILE 60 Cb -0.16 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 3hmr s ILE 60 CO 0.13 -0.01 1.55 -0.75 0.00 0.00 0.00 174.94 175.85 3hmr s LYS 61 N 2.36 4.23 -0.15 2.79 2.47 -1.25 -4.93 119.74 125.26 3hmr s LYS 61 Ca 0.38 2.30 -0.13 0.00 -1.56 0.00 0.00 55.97 56.97 3hmr s LYS 61 Cb -0.16 -3.23 0.04 0.00 -1.46 0.00 0.00 37.83 33.02 3hmr s LYS 61 CO 0.11 -0.59 0.40 -0.08 0.16 0.00 0.00 175.35 175.34 3hmr s THR 62 N 1.35 -0.00 0.09 3.43 -1.32 -1.26 -1.66 115.64 116.26 3hmr s THR 62 Ca 0.70 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 61.09 3hmr s THR 62 Cb -0.42 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.02 3hmr s THR 62 CO 0.31 0.01 0.23 -0.54 -2.21 0.00 0.00 174.62 172.42 3hmr s LYS 63 N 0.42 0.87 0.27 7.08 1.02 -1.07 -5.00 119.74 123.33 3hmr s LYS 63 Ca -0.02 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3hmr s LYS 63 Cb -0.04 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.54 3hmr s LYS 63 CO -0.02 -0.29 0.98 0.15 -0.92 0.00 0.00 175.35 175.26 3hmr s LYS 64 N -3.71 4.74 0.30 1.68 1.02 -1.26 -1.71 119.74 120.79 3hmr s LYS 64 Ca 0.03 1.54 0.03 0.00 0.02 0.00 0.00 55.97 57.60 3hmr s LYS 64 Cb 0.04 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 3hmr s LYS 64 CO -0.10 0.38 0.27 0.14 -0.92 0.00 0.00 175.35 175.12 3hmr s VAL 65 N -1.26 0.00 -0.15 3.17 -7.23 -0.36 -4.92 120.40 109.65 3hmr s VAL 65 Ca 0.44 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 3hmr s VAL 65 Cb -0.26 -2.51 -0.23 0.00 0.56 0.00 0.00 36.38 33.94 3hmr s VAL 65 CO 0.33 0.00 0.24 0.59 -0.31 0.00 0.00 175.10 175.95 3hmr n ASN 66 N -1.17 1.27 -3.82 4.85 3.02 -1.26 -4.50 115.26 113.64 3hmr n ASN 66 Ca 0.05 0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.64 3hmr n ASN 66 Cb 0.63 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.64 3hmr n ASN 66 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hmr s SER 67 N -6.31 -0.17 0.50 6.41 1.04 -1.26 -5.02 113.70 108.89 3hmr s SER 67 Ca -0.18 -0.62 0.18 0.00 0.48 0.00 0.00 55.95 55.81 3hmr s SER 67 Cb 0.07 0.55 1.23 0.00 0.10 0.00 0.00 66.02 67.98 3hmr s SER 67 CO 0.76 -1.03 2.09 0.00 0.98 0.00 0.00 173.24 176.04 3hmr h ALA 68 N 2.28 1.78 -0.75 5.32 0.00 -1.98 -2.71 119.26 123.20 3hmr h ALA 68 Ca -0.29 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hmr h ALA 68 Cb 1.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3hmr h ALA 68 CO 0.39 0.10 0.45 -0.44 0.00 0.00 0.00 179.25 179.75 3hmr h ASP 69 N 0.00 0.70 0.11 0.00 3.32 -1.99 0.46 116.42 119.03 3hmr h ASP 69 Ca -0.00 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3hmr h ASP 69 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hmr h ASP 69 CO 0.01 0.46 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.26 3hmr h GLU 70 N 0.84 0.37 -0.46 3.56 3.07 -1.90 -2.11 114.58 117.95 3hmr h GLU 70 Ca 0.32 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 3hmr h GLU 70 Cb 0.13 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3hmr h GLU 70 CO -0.16 0.72 -0.05 0.00 -1.40 0.00 0.00 179.01 178.12 3hmr h ALA 72 N 0.90 0.34 -0.60 0.00 0.00 -0.62 -1.03 119.26 118.24 3hmr h ALA 72 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hmr h ALA 72 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3hmr h ALA 72 CO 0.03 -0.26 0.39 -0.97 0.00 0.00 0.00 179.25 178.45 3hmr h ASN 73 N 0.28 0.69 -0.73 0.00 -0.73 -1.30 -1.67 115.58 112.12 3hmr h ASN 73 Ca 0.12 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 3hmr h ASN 73 Cb 0.04 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.43 3hmr h ASN 73 CO -0.09 0.51 0.30 -0.09 -0.37 0.00 0.00 177.43 177.69 3hmr h ARG 74 N 0.81 1.11 0.27 6.67 2.43 -1.09 -2.38 114.38 122.20 3hmr h ARG 74 Ca 0.22 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3hmr h ARG 74 Cb -0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3hmr h ARG 74 CO -0.05 0.89 -0.13 0.00 -1.51 0.00 0.00 179.97 179.18 3hmr h ILE 76 N -0.60 1.01 0.00 0.00 3.07 -1.30 -1.48 117.51 118.21 3hmr h ILE 76 Ca -0.04 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.19 3hmr h ILE 76 Cb 0.43 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 3hmr h ILE 76 CO 0.06 0.05 -0.63 0.54 -1.05 0.00 0.00 178.15 177.12 3hmr n ARG 77 N -4.44 0.01 -2.26 0.16 1.74 -0.90 -4.93 116.66 106.05 3hmr n ARG 77 Ca -0.03 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 3hmr n ARG 77 Cb 0.13 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3hmr n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hmr n ASN 78 N -1.52 -5.21 0.00 0.55 5.03 0.24 -4.91 115.26 109.44 3hmr n ASN 78 Ca 0.05 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.62 3hmr n ASN 78 Cb 0.34 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.69 3hmr n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3hmr n ARG 79 N -2.82 0.00 -1.94 3.52 5.12 -0.78 -2.62 116.66 117.14 3hmr n ARG 79 Ca -0.21 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.35 3hmr n ARG 79 Cb 0.65 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.99 3hmr n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hmr n GLY 80 N 0.00 5.69 3.78 -0.13 0.00 -1.26 -4.99 105.19 108.28 3hmr n GLY 80 Ca 0.00 -2.51 -0.22 0.00 0.00 0.00 0.00 46.02 43.29 3hmr n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hmr s PHE 81 N -3.93 2.92 -0.42 1.61 2.99 -1.08 -5.00 117.98 115.06 3hmr s PHE 81 Ca 0.53 -0.22 0.17 0.00 0.00 0.00 0.00 56.93 57.41 3hmr s PHE 81 Cb 0.44 -1.49 -0.23 0.00 0.00 0.00 0.00 43.02 41.74 3hmr s PHE 81 CO -0.30 0.43 0.56 2.41 -0.00 0.00 0.00 175.22 178.31 3hmr n THR 82 N -1.17 0.00 -4.04 0.64 -1.04 -1.26 -4.99 114.28 102.43 3hmr n THR 82 Ca -0.05 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.05 61.43 3hmr n THR 82 Cb 0.59 0.56 -0.01 0.00 -1.82 0.00 0.00 70.33 69.66 3hmr n THR 82 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3hmr s PHE 83 N -2.90 1.50 -0.28 -1.42 -0.12 -1.26 -5.11 117.98 108.39 3hmr s PHE 83 Ca 0.00 -0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 55.86 3hmr s PHE 83 Cb 0.12 -1.84 -0.05 0.00 -0.63 0.00 0.00 43.02 40.62 3hmr s PHE 83 CO 0.71 -0.44 0.19 0.99 -0.05 0.00 0.00 175.22 176.62 3hmr s THR 84 N -2.83 5.31 -0.15 -4.49 2.01 -1.26 -4.97 115.64 109.26 3hmr s THR 84 Ca 0.27 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 3hmr s THR 84 Cb -0.02 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3hmr s THR 84 CO 0.17 0.25 1.18 0.00 -0.69 0.00 0.00 174.62 175.54 3hmr n LYS 86 N 6.12 0.99 -3.54 0.00 5.02 -0.14 -4.84 118.16 121.76 3hmr n LYS 86 Ca 0.12 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 3hmr n LYS 86 Cb 0.46 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3hmr n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hmr s ALA 87 N -2.81 -1.74 0.01 7.82 0.00 -1.18 -1.28 121.76 122.57 3hmr s ALA 87 Ca -0.02 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 3hmr s ALA 87 Cb 0.10 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.77 3hmr s ALA 87 CO 0.60 -0.77 0.23 -0.59 0.00 0.00 0.00 175.76 175.22 3hmr s PHE 88 N -3.27 -0.04 -0.08 0.00 -0.12 -0.37 -0.13 117.98 113.97 3hmr s PHE 88 Ca 0.06 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 3hmr s PHE 88 Cb -0.01 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 3hmr s PHE 88 CO -0.07 -0.38 -0.20 0.08 -0.05 0.00 0.00 175.22 174.59 3hmr s VAL 89 N -1.80 2.44 -0.24 -2.49 1.01 0.12 -0.83 120.40 118.61 3hmr s VAL 89 Ca -0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3hmr s VAL 89 Cb -0.04 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3hmr s VAL 89 CO 0.01 0.56 0.04 0.12 0.00 0.00 0.00 175.10 175.83 3hmr s PHE 90 N -0.03 3.05 -0.64 5.22 5.36 -0.38 -0.94 117.98 129.64 3hmr s PHE 90 Ca -0.06 -0.54 -0.23 0.00 -0.96 0.00 0.00 56.93 55.13 3hmr s PHE 90 Cb -0.15 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.40 3hmr s PHE 90 CO 0.05 -0.39 0.98 0.34 -1.46 0.00 0.00 175.22 174.74 3hmr s ASP 91 N 1.53 6.21 0.45 6.13 -1.08 0.21 -2.08 116.67 128.04 3hmr s ASP 91 Ca 0.06 -0.79 0.15 0.00 -0.52 0.00 0.00 52.55 51.45 3hmr s ASP 91 Cb -0.15 -2.43 1.02 0.00 -1.46 0.00 0.00 42.92 39.90 3hmr s ASP 91 CO 0.02 -1.42 2.00 0.11 0.52 0.00 0.00 175.17 176.40 3hmr h LYS 92 N 9.54 0.00 0.04 4.34 1.57 -1.25 0.24 116.57 131.05 3hmr h LYS 92 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3hmr h LYS 92 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3hmr h LYS 92 CO 1.17 0.17 -0.02 1.03 -0.57 0.00 0.00 179.45 181.23 3hmr h SER 93 N 0.00 -0.04 0.13 0.86 0.87 -1.91 -3.32 113.55 110.14 3hmr h SER 93 Ca -0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 3hmr h SER 93 Cb 0.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3hmr h SER 93 CO 0.02 0.58 -0.20 0.54 -0.53 0.00 0.00 176.83 177.24 3hmr n ARG 94 N -4.82 1.18 -3.43 2.24 1.74 -1.20 -4.97 116.66 107.40 3hmr n ARG 94 Ca -0.09 -0.75 -0.21 0.00 -0.77 0.00 0.00 57.85 56.03 3hmr n ARG 94 Cb 0.31 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3hmr n ARG 94 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hmr n LYS 95 N -0.26 -2.24 -3.74 5.56 4.76 0.80 -4.87 118.16 118.17 3hmr n LYS 95 Ca 0.14 0.72 -0.10 0.00 -2.87 0.00 0.00 58.31 56.19 3hmr n LYS 95 Cb 0.38 -5.23 -0.06 0.00 -1.84 0.00 0.00 35.03 28.28 3hmr n LYS 95 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3hmr s ARG 96 N -5.05 0.94 0.24 1.97 1.70 -1.03 -1.23 118.95 116.49 3hmr s ARG 96 Ca 0.42 -0.77 0.05 0.00 -0.47 0.00 0.00 55.73 54.96 3hmr s ARG 96 Cb -0.09 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 3hmr s ARG 96 CO 0.78 -0.33 -0.04 0.00 -1.08 0.00 0.00 175.30 174.63 3hmr s TYR 98 N -3.23 1.69 -0.13 0.00 1.51 -0.11 -2.60 117.35 114.48 3hmr s TYR 98 Ca 0.28 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 3hmr s TYR 98 Cb 0.04 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.71 3hmr s TYR 98 CO 0.09 -0.22 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.65 3hmr s TRP 99 N 0.25 2.90 0.09 2.71 0.51 -0.66 -0.70 118.94 124.04 3hmr s TRP 99 Ca -0.08 -0.44 0.10 0.00 -2.12 0.00 0.00 56.10 53.56 3hmr s TRP 99 Cb -0.13 -1.87 -0.04 0.00 -0.81 0.00 0.00 33.47 30.62 3hmr s TRP 99 CO 0.03 -0.08 -0.24 0.71 -0.51 0.00 0.00 176.95 176.85 3hmr s TYR 100 N 0.22 2.38 -1.69 -1.98 1.51 0.82 -3.94 117.35 114.67 3hmr s TYR 100 Ca -0.06 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3hmr s TYR 100 Cb -0.15 -1.33 0.23 0.00 -0.11 0.00 0.00 41.96 40.60 3hmr s TYR 100 CO 0.04 0.27 1.11 -0.35 -1.11 0.00 0.00 175.55 175.52 3hmr n PRO 101 N 1.22 1.75 -4.01 -1.71 -0.04 -1.26 -0.97 135.00 129.99 3hmr n PRO 101 Ca -0.17 -0.93 -0.10 0.00 -0.04 0.00 0.00 63.50 62.27 3hmr n PRO 101 Cb 0.53 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3hmr n PRO 101 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hmr s PHE 102 N -1.65 0.51 0.16 0.54 -0.12 -1.26 -4.65 117.98 111.51 3hmr s PHE 102 Ca 0.17 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.20 3hmr s PHE 102 Cb 0.10 -0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 3hmr s PHE 102 CO 0.10 -0.75 0.04 0.27 -0.05 0.00 0.00 175.22 174.83 3hmr n ASN 103 N -0.25 1.49 0.29 1.98 0.23 -1.26 -3.85 115.26 113.90 3hmr n ASN 103 Ca -0.05 -1.81 0.20 0.00 -0.53 0.00 0.00 54.58 52.38 3hmr n ASN 103 Cb 0.63 0.31 0.97 0.00 -2.08 0.00 0.00 39.78 39.61 3hmr n ASN 103 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3hmr h SER 104 N 0.56 0.00 -0.02 0.53 4.64 -1.95 -2.07 113.55 115.24 3hmr h SER 104 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hmr h SER 104 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hmr h SER 104 CO 0.21 0.00 -0.00 0.23 -0.87 0.00 0.00 176.83 176.39 3hmr n MET 105 N -2.95 1.86 -2.66 4.77 2.81 -1.26 -4.83 117.12 114.85 3hmr n MET 105 Ca -0.02 -1.26 -0.34 0.00 -1.81 0.00 0.00 57.70 54.27 3hmr n MET 105 Cb 0.14 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 3hmr n MET 105 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3hmr s SER 106 N -2.01 6.71 0.17 7.83 0.01 -0.78 -4.97 113.70 120.66 3hmr s SER 106 Ca 0.35 1.86 -0.32 0.00 1.31 0.00 0.00 55.95 59.15 3hmr s SER 106 Cb 0.21 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.77 3hmr s SER 106 CO 0.33 -0.52 1.75 -0.55 0.41 0.00 0.00 173.24 174.66 3hmr s SER 107 N -1.93 6.41 0.00 2.44 0.15 -1.26 -2.19 113.70 117.32 3hmr s SER 107 Ca 0.62 2.81 0.00 0.00 0.70 0.00 0.00 55.95 60.08 3hmr s SER 107 Cb -0.15 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3hmr s SER 107 CO 0.19 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.27 3hmr n GLY 108 N 4.06 0.87 3.70 9.45 0.00 -1.26 -5.02 105.19 116.98 3hmr n GLY 108 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3hmr n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmr s VAL 109 N -3.41 5.31 -0.10 1.61 1.01 -0.93 -4.44 120.40 119.45 3hmr s VAL 109 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 3hmr s VAL 109 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3hmr s VAL 109 CO 0.00 0.35 -0.02 -0.54 0.00 0.00 0.00 175.10 174.89 3hmr s LYS 110 N 0.82 3.08 -0.06 2.72 -0.14 0.17 -4.84 119.74 121.48 3hmr s LYS 110 Ca 0.14 -0.46 -0.21 0.00 -1.36 0.00 0.00 55.97 54.07 3hmr s LYS 110 Cb -0.13 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.20 3hmr s LYS 110 CO 0.04 0.60 0.62 0.15 -0.76 0.00 0.00 175.35 176.00 3hmr s LYS 111 N -0.60 4.39 0.35 1.68 1.02 -1.26 -0.68 119.74 124.64 3hmr s LYS 111 Ca 0.10 0.75 0.04 0.00 0.02 0.00 0.00 55.97 56.88 3hmr s LYS 111 Cb -0.12 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 3hmr s LYS 111 CO 0.02 0.17 0.05 0.20 -0.92 0.00 0.00 175.35 174.87 3hmr s GLY 112 N 0.48 2.21 -0.12 -3.33 0.00 0.12 -4.94 107.32 101.74 3hmr s GLY 112 Ca 0.33 -2.01 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 3hmr s GLY 112 CO 0.16 -1.88 0.20 -0.12 0.00 0.00 0.00 173.10 171.47 3hmr s PHE 113 N -3.18 3.56 -0.29 1.90 2.19 -1.26 -1.54 117.98 119.37 3hmr s PHE 113 Ca 0.35 0.57 -0.03 0.00 0.33 0.00 0.00 56.93 58.15 3hmr s PHE 113 Cb 0.08 -2.10 0.17 0.00 -1.31 0.00 0.00 43.02 39.87 3hmr s PHE 113 CO 0.16 0.56 0.57 0.20 1.83 0.00 0.00 175.22 178.53 3hmr s GLY 114 N -0.53 -0.86 0.26 13.12 0.00 -1.08 -4.84 107.32 113.39 3hmr s GLY 114 Ca 0.15 1.76 -0.01 0.00 0.00 0.00 0.00 44.72 46.63 3hmr s GLY 114 CO 0.04 3.20 1.73 0.84 0.00 0.00 0.00 173.10 178.91 3hmr h HIS 115 N 8.03 0.63 -0.05 1.90 2.76 -1.98 -2.31 115.15 124.14 3hmr h HIS 115 Ca -0.22 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3hmr h HIS 115 Cb 1.15 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.96 3hmr h HIS 115 CO 0.12 0.07 0.00 -0.85 -1.30 0.00 0.00 177.93 175.97 3hmr n GLU 116 N -4.97 1.88 -3.99 5.26 0.00 -1.26 -4.63 120.64 112.92 3hmr n GLU 116 Ca 0.17 -1.28 -0.36 0.00 0.00 0.00 0.00 57.16 55.70 3hmr n GLU 116 Cb 0.49 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.38 3hmr n GLU 116 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3hmr s PHE 117 N -1.96 3.40 -0.11 -1.84 0.08 -0.87 -0.79 117.98 115.89 3hmr s PHE 117 Ca 0.35 0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.76 3hmr s PHE 117 Cb 0.20 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3hmr s PHE 117 CO 0.32 0.48 -0.22 -0.51 -0.10 0.00 0.00 175.22 175.19 3hmr s ASP 118 N -0.48 3.00 -0.10 1.36 1.01 -0.88 -0.41 116.67 120.17 3hmr s ASP 118 Ca 0.11 -0.56 -0.14 0.00 0.71 0.00 0.00 52.55 52.67 3hmr s ASP 118 Cb -0.12 -1.38 -0.05 0.00 1.01 0.00 0.00 42.92 42.39 3hmr s ASP 118 CO 0.02 0.12 0.33 -0.22 0.21 0.00 0.00 175.17 175.63 3hmr s LEU 119 N 0.55 4.34 -0.12 1.23 2.96 0.30 -1.24 118.68 126.69 3hmr s LEU 119 Ca -0.14 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 3hmr s LEU 119 Cb -0.17 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.10 3hmr s LEU 119 CO 0.04 0.20 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.83 3hmr s TYR 120 N -0.20 1.97 -0.15 5.38 2.02 -0.01 -0.46 117.35 125.90 3hmr s TYR 120 Ca 0.20 -1.01 -0.00 0.00 -0.37 0.00 0.00 57.07 55.88 3hmr s TYR 120 Cb -0.14 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3hmr s TYR 120 CO 0.08 -0.56 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.16 3hmr s GLU 121 N 1.28 3.32 -0.05 -0.62 2.02 -0.43 -1.23 118.70 122.99 3hmr s GLU 121 Ca -0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 3hmr s GLU 121 Cb -0.14 -2.67 -0.07 0.00 0.10 0.00 0.00 34.13 31.35 3hmr s GLU 121 CO -0.06 0.09 1.93 1.21 0.02 0.00 0.00 175.26 178.45 3hmr s ASN 122 N 0.66 6.29 0.63 -0.19 3.84 -0.41 -0.06 114.94 125.71 3hmr s ASN 122 Ca -0.07 2.36 0.39 0.00 0.21 0.00 0.00 52.86 55.75 3hmr s ASN 122 Cb -0.15 -2.53 2.10 0.00 -0.55 0.00 0.00 41.25 40.12 3hmr s ASN 122 CO 0.02 -1.22 2.18 0.11 -2.79 0.00 0.00 177.10 175.40 3hmr h LYS 123 N 11.27 0.00 0.00 0.43 1.57 -1.50 -1.77 116.57 126.58 3hmr h LYS 123 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hmr h LYS 123 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3hmr h LYS 123 CO 0.95 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 179.39 3hmr h ASP 124 N 0.00 0.00 -0.21 0.86 3.32 -1.89 -2.85 116.42 115.65 3hmr h ASP 124 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hmr h ASP 124 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hmr h ASP 124 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3hmr n TYR 125 N -3.02 0.60 -3.81 4.55 4.02 -0.66 -4.93 117.16 113.91 3hmr n TYR 125 Ca -0.00 -0.80 -0.36 0.00 -0.01 0.00 0.00 57.90 56.73 3hmr n TYR 125 Cb 0.22 -0.21 -0.13 0.00 -0.02 0.00 0.00 39.34 39.21 3hmr n TYR 125 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hmr s ILE 126 N -2.33 3.91 -2.62 -0.72 1.01 -1.08 -4.99 121.20 114.38 3hmr s ILE 126 Ca 0.33 -0.40 0.21 0.00 0.00 0.00 0.00 60.65 60.79 3hmr s ILE 126 Cb 0.26 -2.86 0.17 0.00 0.01 0.00 0.00 42.46 40.04 3hmr s ILE 126 CO 0.08 0.31 1.16 -1.14 0.00 0.00 0.00 174.94 175.35