#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul s TRP 19 N 0.00 2.57 0.42 1.20 1.48 -1.26 -4.99 118.94 118.36 1pul s TRP 19 Ca 0.00 0.20 0.04 0.00 -1.06 0.00 0.00 56.10 55.28 1pul s TRP 19 Cb 0.00 -4.14 0.00 0.00 -1.16 0.00 0.00 33.47 28.17 1pul s TRP 19 CO 0.00 -4.49 0.60 0.34 -4.06 0.00 0.00 176.95 169.34 1pul s ASP 20 N 1.88 5.78 0.10 -2.66 2.15 -1.26 -4.75 116.67 117.90 1pul s ASP 20 Ca 0.77 -0.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.54 1pul s ASP 20 Cb -0.47 -1.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.89 1pul s ASP 20 CO 0.34 -0.68 1.09 -0.67 -0.17 0.00 0.00 175.17 175.08 1pul n ASP 21 N -1.93 -0.65 -0.01 -0.34 2.03 -1.26 0.58 116.55 114.96 1pul n ASP 21 Ca 0.03 1.24 -0.18 0.00 0.52 0.00 0.00 54.79 56.40 1pul n ASP 21 Cb 0.58 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.69 1pul n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pul h ALA 22 N 0.16 0.26 -0.96 -1.67 0.00 -2.01 -3.25 119.26 111.79 1pul h ALA 22 Ca 0.10 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1pul h ALA 22 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1pul h ALA 22 CO -0.58 0.64 0.62 0.22 0.00 0.00 0.00 179.25 180.14 1pul h ASP 23 N 0.45 0.91 0.68 0.00 3.58 -1.36 -2.02 116.42 118.66 1pul h ASP 23 Ca -0.06 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1pul h ASP 23 Cb 1.42 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1pul h ASP 23 CO 0.16 0.53 -0.48 0.58 -2.88 0.00 0.00 179.24 177.15 1pul h VAL 24 N 1.01 0.04 0.00 2.25 2.07 0.10 -3.09 116.25 118.63 1pul h VAL 24 Ca 0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.95 1pul h VAL 24 Cb 0.37 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1pul h VAL 24 CO -0.20 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.39 1pul h LYS 25 N -1.11 0.00 -0.68 1.57 1.57 -1.58 -2.56 116.57 113.78 1pul h LYS 25 Ca -0.09 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1pul h LYS 25 Cb 0.91 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.15 1pul h LYS 25 CO 0.05 0.10 0.30 0.87 -0.57 0.00 0.00 179.45 180.20 1pul h LYS 26 N 0.00 0.50 -0.18 3.15 1.57 -1.28 0.50 116.57 120.83 1pul h LYS 26 Ca -0.00 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1pul h LYS 26 Cb 0.53 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1pul h LYS 26 CO 0.01 0.33 -0.57 0.00 -0.57 0.00 0.00 179.45 178.66 1pul h ARG 27 N 0.52 0.70 -0.97 3.15 3.08 -1.52 -2.00 114.38 117.34 1pul h ARG 27 Ca 0.34 -0.52 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1pul h ARG 27 Cb 0.40 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1pul h ARG 27 CO -0.29 1.14 0.64 -1.49 -1.07 0.00 0.00 179.97 178.89 1pul h TRP 28 N 0.40 1.20 -0.38 3.04 4.06 -1.36 -1.67 115.95 121.24 1pul h TRP 28 Ca -0.02 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1pul h TRP 28 Cb 1.19 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.93 1pul h TRP 28 CO 0.09 0.71 0.11 0.22 -3.56 0.00 0.00 178.44 176.01 1pul h ASP 29 N 1.26 0.57 -0.04 -3.49 3.58 0.08 -1.79 116.42 116.59 1pul h ASP 29 Ca 0.38 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1pul h ASP 29 Cb -0.05 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1pul h ASP 29 CO -0.11 0.64 -0.07 0.00 -2.88 0.00 0.00 179.24 176.82 1pul h ALA 30 N 0.95 -0.04 0.00 -0.78 0.00 -0.89 0.73 119.26 119.23 1pul h ALA 30 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pul h ALA 30 Cb 0.28 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pul h ALA 30 CO -0.00 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 179.89 1pul n PHE 31 N -5.19 0.79 -0.12 0.00 3.72 -0.67 -1.42 117.46 114.57 1pul n PHE 31 Ca -0.05 0.33 -0.23 0.00 -0.05 0.00 0.00 57.45 57.44 1pul n PHE 31 Cb 0.12 -1.03 -0.09 0.00 -0.94 0.00 0.00 39.48 37.54 1pul n PHE 31 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pul n THR 32 N -2.24 1.52 0.13 4.37 -1.04 -0.61 -3.03 114.28 113.38 1pul n THR 32 Ca 0.01 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 1pul n THR 32 Cb 0.19 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 66.60 1pul n THR 32 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1pul h LYS 33 N -1.00 -0.32 0.06 -2.82 3.64 0.44 -3.29 116.57 113.28 1pul h LYS 33 Ca -0.48 0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 58.61 1pul h LYS 33 Cb 1.38 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 1pul h LYS 33 CO -0.29 -0.03 -1.75 0.74 -2.27 0.00 0.00 179.45 175.85 1pul h PHE 34 N -0.59 0.22 0.00 1.91 0.04 -1.41 -3.48 116.94 113.63 1pul h PHE 34 Ca -0.03 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1pul h PHE 34 Cb 0.43 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1pul h PHE 34 CO 0.01 1.31 0.00 0.41 -0.60 0.00 0.00 178.31 179.43 1pul n GLY 35 N 1.70 1.72 0.00 -1.45 0.00 -0.87 -4.95 105.19 101.35 1pul n GLY 35 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1pul n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pul n ALA 36 N -0.14 0.00 0.11 4.61 0.00 -1.11 -4.49 120.51 119.49 1pul n ALA 36 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pul n ALA 36 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1pul n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul h ALA 37 N 0.00 -0.80 0.00 0.00 0.00 -1.92 -3.40 119.26 113.14 1pul h ALA 37 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1pul h ALA 37 Cb 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1pul h ALA 37 CO 0.00 -1.02 -0.05 -2.37 0.00 0.00 0.00 179.25 175.81 1pul n THR 38 N -5.47 0.00 -3.84 0.00 5.66 -1.26 -5.09 114.28 104.28 1pul n THR 38 Ca -0.07 -0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.62 1pul n THR 38 Cb 0.39 0.08 -0.15 0.00 -1.55 0.00 0.00 70.33 69.09 1pul n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pul s ALA 39 N 0.00 1.83 -2.63 1.79 0.00 -1.26 -4.90 121.76 116.59 1pul s ALA 39 Ca 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 51.96 50.58 1pul s ALA 39 Cb 0.00 -1.58 0.43 0.00 0.00 0.00 0.00 23.12 21.97 1pul s ALA 39 CO -0.00 -1.49 1.38 -2.37 0.00 0.00 0.00 175.76 173.28 1pul n THR 40 N 4.72 0.00 -3.32 0.00 5.66 -1.26 -4.77 114.28 115.31 1pul n THR 40 Ca -0.04 -0.37 -0.46 0.00 -3.05 0.00 0.00 64.05 60.12 1pul n THR 40 Cb 0.43 1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 70.29 1pul n THR 40 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1pul s GLU 41 N -2.11 3.23 -0.39 1.09 2.56 -1.26 -4.97 118.70 116.85 1pul s GLU 41 Ca 0.29 -2.01 0.04 0.00 0.00 0.00 0.00 54.97 53.28 1pul s GLU 41 Cb 0.20 -4.35 0.11 0.00 2.00 0.00 0.00 34.13 32.09 1pul s GLU 41 CO 0.37 -1.31 0.11 -1.64 -0.56 0.00 0.00 175.26 172.23 1pul s MET 42 N 1.02 1.63 -0.05 4.30 -1.94 -1.26 -5.09 119.30 117.90 1pul s MET 42 Ca 0.09 -2.10 -0.30 0.00 -1.71 0.00 0.00 55.69 51.67 1pul s MET 42 Cb -0.22 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1pul s MET 42 CO -0.02 -0.99 1.30 0.95 -0.01 0.00 0.00 175.02 176.25 1pul s THR 43 N 0.54 4.05 0.15 2.05 -4.23 -1.26 -3.62 115.64 113.33 1pul s THR 43 Ca 0.13 1.38 0.26 0.00 -1.18 0.00 0.00 61.69 62.27 1pul s THR 43 Cb -0.21 -3.89 0.26 0.00 1.34 0.00 0.00 72.50 70.00 1pul s THR 43 CO -0.06 -0.03 1.86 1.23 -0.54 0.00 0.00 174.62 177.09 1pul h GLY 44 N 8.57 0.00 1.27 3.99 0.00 -0.75 -2.08 103.07 114.08 1pul h GLY 44 Ca -0.34 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1pul h GLY 44 CO 0.91 0.00 -0.32 1.70 0.00 0.00 0.00 176.54 178.83 1pul h LYS 45 N 0.00 0.81 -0.39 4.80 3.64 -1.71 0.37 116.57 124.10 1pul h LYS 45 Ca -0.00 -0.38 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 1pul h LYS 45 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1pul h LYS 45 CO 0.02 1.01 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.95 1pul h ASN 46 N 0.68 0.88 -0.59 4.20 -0.73 -1.83 -1.52 115.58 116.67 1pul h ASN 46 Ca 0.07 -0.36 -0.08 0.00 1.87 0.00 0.00 56.30 57.81 1pul h ASN 46 Cb 0.86 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.19 1pul h ASN 46 CO 0.08 1.11 0.08 0.15 -0.37 0.00 0.00 177.43 178.47 1pul h PHE 47 N 0.71 1.06 -0.81 0.67 3.57 -1.14 0.40 116.94 121.41 1pul h PHE 47 Ca 0.08 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1pul h PHE 47 Cb 0.85 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1pul h PHE 47 CO 0.05 0.93 0.54 0.22 -2.23 0.00 0.00 178.31 177.81 1pul h ASP 48 N 0.89 0.86 -0.03 0.41 1.82 -0.05 -0.65 116.42 119.68 1pul h ASP 48 Ca 0.18 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.69 1pul h ASP 48 Cb 0.45 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.27 1pul h ASP 48 CO 0.02 0.59 -0.42 0.50 -1.61 0.00 0.00 179.24 178.32 1pul h LYS 49 N 1.00 0.34 -0.85 0.28 3.64 -0.71 0.40 116.57 120.67 1pul h LYS 49 Ca 0.32 -0.32 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 1pul h LYS 49 Cb 0.04 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1pul h LYS 49 CO -0.09 1.00 0.59 2.35 -2.27 0.00 0.00 179.45 181.02 1pul h TRP 50 N -0.21 0.25 0.06 1.91 2.91 0.13 0.35 115.95 121.35 1pul h TRP 50 Ca -0.04 0.01 -0.35 0.00 1.13 0.00 0.00 58.89 59.63 1pul h TRP 50 Cb 1.12 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.66 1pul h TRP 50 CO 0.15 0.07 -2.02 1.28 -1.03 0.00 0.00 178.44 176.88 1pul n LEU 51 N -4.40 1.95 -0.03 0.65 7.99 -0.28 -3.61 117.00 119.27 1pul n LEU 51 Ca 0.18 0.20 -0.15 0.00 -0.01 0.00 0.00 56.01 56.22 1pul n LEU 51 Cb 0.80 -0.58 -0.09 0.00 -0.11 0.00 0.00 43.42 43.44 1pul n LEU 51 CO 0.35 0.70 0.41 0.50 -1.51 0.00 0.00 177.39 177.85 1pul h LYS 52 N 0.03 0.44 -0.26 3.23 3.64 0.49 -1.38 116.57 122.76 1pul h LYS 52 Ca -0.42 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 58.57 1pul h LYS 52 Cb 2.03 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.90 1pul h LYS 52 CO 0.05 0.98 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.73 1pul h ASP 53 N -0.00 0.38 0.44 4.20 5.19 -0.55 -1.65 116.42 124.43 1pul h ASP 53 Ca -0.02 -0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.23 1pul h ASP 53 Cb 1.04 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 1pul h ASP 53 CO 0.08 0.47 -0.42 0.00 -3.12 0.00 0.00 179.24 176.26 1pul h ALA 54 N 1.58 1.29 0.00 3.45 0.00 -1.60 -3.47 119.26 120.50 1pul h ALA 54 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1pul h ALA 54 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pul h ALA 54 CO 0.01 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1pul n GLY 55 N -0.30 0.46 0.13 0.00 0.00 -0.62 -4.94 105.19 99.93 1pul n GLY 55 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1pul n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pul h VAL 56 N 0.00 1.46 -3.47 1.61 2.07 -1.69 -3.36 116.25 112.87 1pul h VAL 56 Ca 0.00 -2.19 -0.73 0.00 0.82 0.00 0.00 66.70 64.60 1pul h VAL 56 Cb 0.00 2.77 -0.33 0.00 -1.52 0.00 0.00 31.29 32.21 1pul h VAL 56 CO 0.00 0.63 -0.02 -0.22 0.02 0.00 0.00 177.57 177.97 1pul s LEU 57 N -8.24 5.78 0.27 2.57 2.96 -0.57 -4.91 118.68 116.54 1pul s LEU 57 Ca -0.13 -3.42 -0.00 0.00 -0.22 0.00 0.00 54.13 50.36 1pul s LEU 57 Cb 0.03 -1.99 0.52 0.00 0.50 0.00 0.00 46.19 45.25 1pul s LEU 57 CO 0.82 -0.28 1.83 -0.78 -1.32 0.00 0.00 176.35 176.61 1pul h ASP 58 N 6.53 0.85 0.00 3.68 1.82 -1.81 -3.13 116.42 124.36 1pul h ASP 58 Ca 0.12 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1pul h ASP 58 Cb 0.88 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1pul h ASP 58 CO 0.84 0.45 0.00 -3.20 -1.61 0.00 0.00 179.24 175.73 1pul n ASN 59 N -4.66 0.00 -0.04 2.28 5.15 -1.26 -4.61 115.26 112.12 1pul n ASN 59 Ca 0.18 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.06 1pul n ASN 59 Cb 0.34 -0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 38.68 1pul n ASN 59 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pul n LYS 60 N -2.00 0.26 -0.64 1.20 4.81 -1.26 -4.71 118.16 115.82 1pul n LYS 60 Ca 0.00 0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1pul n LYS 60 Cb 0.00 -0.95 0.32 0.00 0.02 0.00 0.00 35.03 34.43 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pul n ALA 61 N -3.75 3.37 -2.70 3.14 0.00 -1.26 -4.95 120.51 114.36 1pul n ALA 61 Ca -0.17 -2.12 -0.39 0.00 0.00 0.00 0.00 53.44 50.76 1pul n ALA 61 Cb 0.48 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1pul n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pul s ILE 62 N -2.75 5.10 0.49 0.00 -1.09 -1.26 -5.03 121.20 116.65 1pul s ILE 62 Ca 0.48 1.14 -0.24 0.00 -2.23 0.00 0.00 60.65 59.80 1pul s ILE 62 Cb 0.37 -3.91 -0.07 0.00 -1.58 0.00 0.00 42.46 37.27 1pul s ILE 62 CO 0.12 0.24 1.38 -0.89 -1.23 0.00 0.00 174.94 174.56 1pul s THR 63 N 1.08 2.14 0.59 2.92 2.01 -1.26 -4.80 115.64 118.33 1pul s THR 63 Ca 0.29 0.12 0.30 0.00 0.31 0.00 0.00 61.69 62.71 1pul s THR 63 Cb -0.16 -3.06 0.35 0.00 0.01 0.00 0.00 72.50 69.64 1pul s THR 63 CO 0.12 0.01 2.26 1.23 -0.69 0.00 0.00 174.62 177.55 1pul h GLY 64 N 1.95 0.00 0.60 4.40 0.00 -1.97 -1.43 103.07 106.62 1pul h GLY 64 Ca -0.51 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.91 1pul h GLY 64 CO 0.59 0.00 0.59 -0.84 0.00 0.00 0.00 176.54 176.89 1pul h THR 65 N 0.00 0.99 0.00 4.70 2.02 -1.98 0.14 112.91 118.78 1pul h THR 65 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1pul h THR 65 Cb 0.01 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.30 1pul h THR 65 CO 0.00 0.18 -0.30 0.24 0.37 0.00 0.00 175.52 176.01 1pul h MET 66 N 1.01 0.00 -0.33 6.66 2.07 -1.64 -3.31 114.93 119.39 1pul h MET 66 Ca 0.44 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 58.01 1pul h MET 66 Cb 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.04 1pul h MET 66 CO -0.22 0.08 -0.03 0.00 1.07 0.00 0.00 176.91 177.81 1pul h THR 67 N -1.00 1.27 0.00 2.22 1.03 -1.48 -1.16 112.91 113.79 1pul h THR 67 Ca -0.02 -1.03 -0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1pul h THR 67 Cb 0.34 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1pul h THR 67 CO -0.01 0.34 -0.00 1.23 -0.01 0.00 0.00 175.52 177.07 1pul h GLY 68 N 0.39 -0.00 1.10 2.99 0.00 -0.94 -1.75 103.07 104.86 1pul h GLY 68 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 1pul h GLY 68 CO 0.02 -0.00 -0.19 -2.22 0.00 0.00 0.00 176.54 174.15 1pul h ILE 69 N -0.19 1.27 0.31 2.60 2.04 -1.59 -1.72 117.51 120.24 1pul h ILE 69 Ca -0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1pul h ILE 69 Cb 0.19 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1pul h ILE 69 CO 0.00 0.47 -0.35 0.00 0.00 0.00 0.00 178.15 178.27 1pul h ALA 70 N 0.87 -0.73 -0.54 1.87 0.00 -1.09 -1.45 119.26 118.19 1pul h ALA 70 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pul h ALA 70 Cb 0.77 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1pul h ALA 70 CO 0.06 -0.95 0.30 0.74 0.00 0.00 0.00 179.25 179.40 1pul h PHE 71 N -0.70 0.75 -0.21 0.00 0.04 -1.32 -1.82 116.94 113.67 1pul h PHE 71 Ca -0.01 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.80 1pul h PHE 71 Cb 0.65 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1pul h PHE 71 CO -0.22 0.54 0.18 0.77 -0.60 0.00 0.00 178.31 178.98 1pul h SER 72 N 0.73 0.00 0.89 2.17 0.02 -1.04 1.07 113.55 117.39 1pul h SER 72 Ca 0.19 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.92 1pul h SER 72 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1pul h SER 72 CO -0.03 0.00 -1.17 0.11 -1.14 0.00 0.00 176.83 174.60 1pul h LYS 73 N 0.00 0.00 0.00 3.45 1.57 -0.46 -3.40 116.57 117.73 1pul h LYS 73 Ca 0.10 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.49 1pul h LYS 73 Cb 0.45 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.69 1pul h LYS 73 CO -0.00 0.77 -2.48 1.33 -0.57 0.00 0.00 179.45 178.51 1pul n VAL 74 N -3.23 1.49 0.00 0.50 0.24 -0.38 -5.00 118.33 111.96 1pul n VAL 74 Ca -0.05 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1pul n VAL 74 Cb 0.95 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1pul n VAL 74 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1pul n THR 75 N -3.25 0.00 -0.15 3.34 5.66 0.36 -4.64 114.28 115.59 1pul n THR 75 Ca -0.46 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.43 1pul n THR 75 Cb 0.99 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.69 1pul n THR 75 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1pul h GLY 76 N 0.00 -1.15 -4.13 1.09 0.00 -1.75 -3.40 103.07 93.73 1pul h GLY 76 Ca 0.00 0.76 -0.52 0.00 0.00 0.00 0.00 47.33 47.57 1pul h GLY 76 CO 0.00 -0.20 0.56 -4.14 0.00 0.00 0.00 176.54 172.77 1pul s PRO 77 N -5.23 4.49 0.06 4.80 0.02 -1.26 -4.78 135.00 133.09 1pul s PRO 77 Ca -0.12 1.90 0.18 0.00 0.02 0.00 0.00 61.00 62.98 1pul s PRO 77 Cb 0.07 -3.23 0.75 0.00 0.02 0.00 0.00 34.50 32.12 1pul s PRO 77 CO 0.52 -0.09 1.56 1.63 -0.33 0.00 0.00 177.00 180.30 1pul n LYS 78 N 2.37 0.05 -0.05 5.54 5.02 -1.26 -4.24 118.16 125.59 1pul n LYS 78 Ca 0.04 0.26 -0.01 0.00 -2.02 0.00 0.00 58.31 56.58 1pul n LYS 78 Cb 0.44 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1pul n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pul n LYS 79 N -1.66 -0.05 -3.60 1.97 5.02 -1.26 -3.07 118.16 115.51 1pul n LYS 79 Ca 0.04 0.81 -0.05 0.00 -2.02 0.00 0.00 58.31 57.09 1pul n LYS 79 Cb 0.20 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1pul n LYS 79 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1pul s LYS 80 N -3.34 0.31 0.00 1.97 -2.85 -1.26 -0.55 119.74 114.02 1pul s LYS 80 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1pul s LYS 80 Cb 0.01 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1pul s LYS 80 CO 0.07 -0.13 0.00 0.00 0.10 0.00 0.00 175.35 175.39 1pul n ALA 81 N 0.03 0.50 0.00 0.59 0.00 -1.24 -4.91 120.51 115.48 1pul n ALA 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pul n ALA 81 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1pul n ALA 81 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pul n THR 82 N 0.00 0.00 0.08 0.00 5.66 -1.26 -4.81 114.28 113.94 1pul n THR 82 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1pul n THR 82 Cb 0.00 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.18 1pul n THR 82 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1pul h PHE 83 N 0.00 0.36 -0.73 1.09 3.57 -1.92 -1.26 116.94 118.04 1pul h PHE 83 Ca 0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1pul h PHE 83 Cb 0.00 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 1pul h PHE 83 CO 0.00 0.37 0.34 0.22 -2.23 0.00 0.00 178.31 177.01 1pul h ASP 84 N 0.35 0.40 0.83 0.41 3.58 -1.93 0.37 116.42 120.42 1pul h ASP 84 Ca 0.08 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1pul h ASP 84 Cb 0.24 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1pul h ASP 84 CO 0.01 0.20 -0.44 -0.08 -2.88 0.00 0.00 179.24 176.05 1pul h GLU 85 N 0.55 -1.12 -0.56 0.28 4.22 -1.53 -2.75 114.58 113.67 1pul h GLU 85 Ca 0.38 0.08 0.11 0.00 0.08 0.00 0.00 59.36 60.01 1pul h GLU 85 Cb 0.48 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 1pul h GLU 85 CO -0.32 -0.75 -0.03 1.15 -2.18 0.00 0.00 179.01 176.88 1pul h THR 86 N -1.16 0.52 -0.46 0.32 2.02 -0.39 0.43 112.91 114.19 1pul h THR 86 Ca -0.11 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1pul h THR 86 Cb 0.91 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1pul h THR 86 CO 0.16 0.02 0.03 0.07 0.37 0.00 0.00 175.52 176.17 1pul h LYS 87 N 0.09 0.74 -0.08 6.66 2.10 -0.38 -1.57 116.57 124.13 1pul h LYS 87 Ca 0.28 -0.18 -0.19 0.00 -2.00 0.00 0.00 60.65 58.56 1pul h LYS 87 Cb 0.45 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1pul h LYS 87 CO -0.50 0.73 -0.70 0.87 -2.00 0.00 0.00 179.45 177.86 1pul h LYS 88 N 0.70 0.62 0.44 0.07 1.57 -0.70 -2.71 116.57 116.57 1pul h LYS 88 Ca 0.14 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1pul h LYS 88 Cb 0.39 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1pul h LYS 88 CO 0.01 1.17 -0.27 0.28 -0.57 0.00 0.00 179.45 180.08 1pul h VAL 89 N 0.26 0.45 -0.50 0.50 2.07 0.02 0.17 116.25 119.22 1pul h VAL 89 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1pul h VAL 89 Cb 1.35 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1pul h VAL 89 CO 0.14 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.99 1pul h LEU 90 N -0.67 0.58 -0.79 2.57 3.38 -1.40 -0.41 115.31 118.57 1pul h LEU 90 Ca -0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1pul h LEU 90 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1pul h LEU 90 CO 0.05 0.43 -0.32 0.00 0.09 0.00 0.00 178.44 178.69 1pul h ALA 91 N 1.17 0.96 0.08 1.53 0.00 -1.36 -2.01 119.26 119.64 1pul h ALA 91 Ca 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pul h ALA 91 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pul h ALA 91 CO -0.04 0.61 -0.04 0.35 0.00 0.00 0.00 179.25 180.13 1pul h PHE 92 N 0.47 -0.10 -0.42 0.00 3.04 -0.27 -1.29 116.94 118.37 1pul h PHE 92 Ca 0.05 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1pul h PHE 92 Cb 0.79 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 1pul h PHE 92 CO 0.03 0.38 0.26 0.28 -2.02 0.00 0.00 178.31 177.24 1pul h VAL 93 N -0.65 1.13 -0.84 1.41 2.07 -1.10 -1.85 116.25 116.42 1pul h VAL 93 Ca -0.01 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1pul h VAL 93 Cb 0.53 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1pul h VAL 93 CO 0.02 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.12 1pul h ALA 94 N 1.13 1.08 0.15 1.67 0.00 -1.44 -2.78 119.26 119.06 1pul h ALA 94 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pul h ALA 94 Cb -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1pul h ALA 94 CO -0.03 0.66 -0.08 1.49 0.00 0.00 0.00 179.25 181.29 1pul h GLU 95 N 1.20 -0.20 -0.21 0.00 4.81 -0.50 -2.71 114.58 116.97 1pul h GLU 95 Ca 0.29 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1pul h GLU 95 Cb 0.14 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1pul h GLU 95 CO -0.03 -0.13 -0.13 0.22 -0.73 0.00 0.00 179.01 178.21 1pul h ASP 96 N -0.21 0.33 -0.12 1.04 3.58 -1.45 0.79 116.42 120.38 1pul h ASP 96 Ca -0.02 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.39 1pul h ASP 96 Cb 0.16 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1pul h ASP 96 CO 0.03 0.49 -0.08 -0.09 -2.88 0.00 0.00 179.24 176.71 1pul h ARG 97 N 0.33 -0.08 -0.05 0.28 2.43 -1.55 -1.24 114.38 114.50 1pul h ARG 97 Ca 0.06 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1pul h ARG 97 Cb 0.43 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pul h ARG 97 CO 0.02 -0.05 -0.58 0.00 -1.51 0.00 0.00 179.97 177.85 1pul h ALA 98 N 1.02 0.14 -0.74 2.80 0.00 -1.05 -3.21 119.26 118.22 1pul h ALA 98 Ca 0.07 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.59 1pul h ALA 98 Cb 0.19 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 1pul h ALA 98 CO -0.17 0.39 -0.14 -0.09 0.00 0.00 0.00 179.25 179.23 1pul h ARG 99 N 0.04 0.02 -0.12 0.00 2.43 0.83 0.87 114.38 118.46 1pul h ARG 99 Ca -0.06 -0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1pul h ARG 99 Cb 1.25 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1pul h ARG 99 CO 0.12 0.01 -0.78 0.37 -1.51 0.00 0.00 179.97 178.17 1pul h GLN 100 N 0.02 0.75 0.00 0.20 4.15 -1.35 -3.33 115.11 115.55 1pul h GLN 100 Ca 0.37 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1pul h GLN 100 Cb 0.59 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1pul h GLN 100 CO -0.74 1.24 -0.67 0.43 -1.93 0.00 0.00 178.83 177.17 1pul n SER 101 N -3.97 1.84 -0.09 -0.69 7.64 -0.52 -4.78 113.62 113.05 1pul n SER 101 Ca -0.08 0.53 -0.20 0.00 1.01 0.00 0.00 58.87 60.13 1pul n SER 101 Cb 0.75 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 63.00 1pul n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1pul n LYS 102 N -4.55 0.67 0.00 1.43 5.02 0.22 -5.05 118.16 115.91 1pul n LYS 102 Ca -0.09 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1pul n LYS 102 Cb 0.35 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1pul n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pul n LYS 103 N -3.47 0.00 -1.93 1.97 5.02 0.24 -4.98 118.16 115.01 1pul n LYS 103 Ca -0.42 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.45 1pul n LYS 103 Cb 0.98 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.97 1pul n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pul s PRO 104 N 0.00 3.16 0.16 1.97 0.04 -1.26 -4.06 135.00 135.00 1pul s PRO 104 Ca 0.00 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 1pul s PRO 104 Cb 0.00 -4.26 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1pul s PRO 104 CO 0.00 -2.07 1.57 0.97 0.04 0.00 0.00 177.00 177.51 1pul h ILE 105 N 6.91 1.27 -0.97 0.56 -0.00 -1.88 -3.09 117.51 120.31 1pul h ILE 105 Ca -0.33 -1.29 0.07 0.00 -0.00 0.00 0.00 64.86 63.31 1pul h ILE 105 Cb 1.18 1.06 -0.07 0.00 -0.00 0.00 0.00 36.82 39.00 1pul h ILE 105 CO 1.05 0.45 0.63 -0.61 -0.00 0.00 0.00 178.15 179.67 1pul h GLN 106 N 0.84 1.07 -0.62 2.19 5.75 -1.93 0.43 115.11 122.84 1pul h GLN 106 Ca 0.12 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1pul h GLN 106 Cb 0.71 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1pul h GLN 106 CO 0.05 0.71 0.00 -0.44 -2.65 0.00 0.00 178.83 176.50 1pul h ASP 107 N 1.10 1.06 -0.41 -0.69 5.19 -1.96 -0.77 116.42 119.95 1pul h ASP 107 Ca 0.43 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1pul h ASP 107 Cb 0.23 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1pul h ASP 107 CO -0.18 1.11 0.13 -0.08 -3.12 0.00 0.00 179.24 177.10 1pul h GLU 108 N 0.99 0.64 -0.69 3.56 4.57 -1.10 0.54 114.58 123.09 1pul h GLU 108 Ca 0.17 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1pul h GLU 108 Cb 0.56 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1pul h GLU 108 CO 0.03 0.63 0.31 1.25 -1.18 0.00 0.00 179.01 180.05 1pul h LEU 109 N 0.52 0.93 -0.88 1.64 5.85 -0.82 0.15 115.31 122.71 1pul h LEU 109 Ca 0.13 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pul h LEU 109 Cb 0.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1pul h LEU 109 CO -0.00 0.83 0.49 -0.78 -0.34 0.00 0.00 178.44 178.63 1pul h ASP 110 N 0.98 1.08 -0.43 1.25 3.58 -0.84 0.40 116.42 122.43 1pul h ASP 110 Ca 0.23 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1pul h ASP 110 Cb 0.16 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1pul h ASP 110 CO -0.02 0.86 0.24 0.00 -2.88 0.00 0.00 179.24 177.44 1pul h ALA 111 N 1.27 0.55 -0.10 -0.78 0.00 -0.22 -1.43 119.26 118.54 1pul h ALA 111 Ca 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1pul h ALA 111 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pul h ALA 111 CO -0.05 0.07 0.03 0.82 0.00 0.00 0.00 179.25 180.12 1pul h ILE 112 N 0.56 0.97 -0.26 0.00 2.04 0.01 0.44 117.51 121.28 1pul h ILE 112 Ca 0.15 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1pul h ILE 112 Cb 0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1pul h ILE 112 CO -0.03 0.01 0.06 0.74 0.00 0.00 0.00 178.15 178.94 1pul h THR 113 N 0.08 0.89 -0.30 -0.27 2.02 0.03 0.64 112.91 116.00 1pul h THR 113 Ca 0.04 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 67.00 1pul h THR 113 Cb 0.03 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1pul h THR 113 CO -0.05 0.03 -0.48 1.05 0.37 0.00 0.00 175.52 176.44 1pul h GLU 114 N 0.17 0.82 -0.79 6.66 -0.00 -1.24 -3.11 114.58 117.09 1pul h GLU 114 Ca 0.12 -0.48 0.01 0.00 -0.00 0.00 0.00 59.36 59.02 1pul h GLU 114 Cb 0.11 0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 28.86 1pul h GLU 114 CO -0.15 1.11 0.52 -0.22 -0.00 0.00 0.00 179.01 180.28 1pul h LYS 115 N 0.65 1.03 -0.85 1.06 1.63 -0.32 -1.94 116.57 117.81 1pul h LYS 115 Ca 0.03 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1pul h LYS 115 Cb 1.06 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.42 1pul h LYS 115 CO 0.11 0.68 0.56 -0.07 -3.45 0.00 0.00 179.45 177.28 1pul h LEU 116 N 1.06 0.97 -1.13 5.20 3.38 -0.86 0.21 115.31 124.14 1pul h LEU 116 Ca 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1pul h LEU 116 Cb -0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1pul h LEU 116 CO -0.07 0.70 0.42 0.00 0.09 0.00 0.00 178.44 179.58 1pul h ALA 117 N 1.47 1.34 0.00 1.53 0.00 -1.30 -1.45 119.26 120.85 1pul h ALA 117 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pul h ALA 117 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1pul h ALA 117 CO -0.07 0.55 -0.03 0.87 0.00 0.00 0.00 179.25 180.57 1pul h LYS 118 N 1.04 0.00 -0.64 0.00 1.79 -0.64 -3.15 116.57 114.96 1pul h LYS 118 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1pul h LYS 118 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1pul h LYS 118 CO -0.05 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.60 1pul n LEU 119 N -2.59 4.88 0.00 2.94 4.77 0.60 -5.09 117.00 122.51 1pul n LEU 119 Ca 0.05 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 1pul n LEU 119 Cb 0.47 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1pul n LEU 119 CO 0.32 0.74 0.00 -1.84 -1.33 0.00 0.00 177.39 175.28