#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 2.21 0.77 3.10 1.48 -1.26 -5.00 118.94 120.25 1pul s TRP 19 Ca 0.00 0.59 -0.11 0.00 -1.06 0.00 0.00 56.10 55.52 1pul s TRP 19 Cb 0.00 -4.31 0.06 0.00 -1.16 0.00 0.00 33.47 28.06 1pul s TRP 19 CO 0.00 -2.12 1.10 0.34 -4.06 0.00 0.00 176.95 172.21 1pul s ASP 20 N 4.77 4.44 0.22 -2.66 2.15 -1.26 -4.65 116.67 119.68 1pul s ASP 20 Ca 0.60 1.89 -0.15 0.00 0.43 0.00 0.00 52.55 55.32 1pul s ASP 20 Cb -0.13 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.20 1pul s ASP 20 CO 0.28 -2.08 1.60 -0.78 -0.17 0.00 0.00 175.17 174.02 1pul h ASP 21 N -1.03 -0.88 -0.02 -0.34 3.58 -1.99 0.36 116.42 116.09 1pul h ASP 21 Ca -0.44 0.23 -0.25 0.00 0.42 0.00 0.00 57.03 56.99 1pul h ASP 21 Cb 1.24 0.51 0.02 0.00 1.72 0.00 0.00 39.33 42.82 1pul h ASP 21 CO 0.51 -0.27 -0.95 0.00 -2.88 0.00 0.00 179.24 175.65 1pul h ALA 22 N 1.50 0.20 -0.96 -0.78 0.00 -2.01 -3.29 119.26 113.93 1pul h ALA 22 Ca 0.32 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1pul h ALA 22 Cb 0.55 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1pul h ALA 22 CO -0.75 0.69 0.62 0.22 0.00 0.00 0.00 179.25 180.03 1pul h ASP 23 N 0.43 1.01 -0.65 0.00 3.58 -1.43 -0.70 116.42 118.66 1pul h ASP 23 Ca -0.10 -0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.46 1pul h ASP 23 Cb 1.60 -0.22 -0.08 0.00 1.72 0.00 0.00 39.33 42.35 1pul h ASP 23 CO 0.19 0.67 0.23 0.58 -2.88 0.00 0.00 179.24 178.03 1pul h VAL 24 N 1.15 0.72 -0.43 2.25 2.07 -0.43 0.26 116.25 121.83 1pul h VAL 24 Ca 0.40 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.66 1pul h VAL 24 Cb 0.10 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1pul h VAL 24 CO -0.14 0.07 -0.20 0.11 0.02 0.00 0.00 177.57 177.44 1pul h LYS 25 N 0.40 0.89 0.32 1.57 1.79 -1.40 -2.13 116.57 118.01 1pul h LYS 25 Ca 0.34 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1pul h LYS 25 Cb 0.46 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1pul h LYS 25 CO -0.35 1.03 -0.23 0.87 -1.08 0.00 0.00 179.45 179.70 1pul h LYS 26 N 0.72 -0.52 -0.57 3.15 1.79 0.12 0.33 116.57 121.59 1pul h LYS 26 Ca 0.10 0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 1pul h LYS 26 Cb 0.76 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1pul h LYS 26 CO 0.06 -0.35 0.05 0.00 -1.08 0.00 0.00 179.45 178.13 1pul h ARG 27 N -0.54 0.94 0.25 3.15 3.08 -0.59 -1.50 114.38 119.17 1pul h ARG 27 Ca -0.03 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1pul h ARG 27 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1pul h ARG 27 CO 0.00 0.90 -0.12 -1.49 -1.07 0.00 0.00 179.97 178.19 1pul h TRP 28 N 0.88 -0.31 -0.76 3.04 4.06 -1.24 -3.31 115.95 118.31 1pul h TRP 28 Ca 0.17 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.19 1pul h TRP 28 Cb 0.45 0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.64 1pul h TRP 28 CO 0.03 0.03 0.43 0.22 -3.56 0.00 0.00 178.44 175.58 1pul h ASP 29 N -0.69 0.62 -0.94 -3.49 3.58 -0.25 -2.42 116.42 112.84 1pul h ASP 29 Ca -0.03 0.04 0.27 0.00 0.42 0.00 0.00 57.03 57.73 1pul h ASP 29 Cb 0.48 -0.08 -0.14 0.00 1.72 0.00 0.00 39.33 41.30 1pul h ASP 29 CO 0.06 0.38 0.38 0.00 -2.88 0.00 0.00 179.24 177.18 1pul h ALA 30 N 1.41 1.57 -1.00 -0.78 0.00 -1.35 0.23 119.26 119.34 1pul h ALA 30 Ca 0.36 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.53 1pul h ALA 30 Cb 0.28 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1pul h ALA 30 CO -0.22 -0.50 0.65 0.74 0.00 0.00 0.00 179.25 179.92 1pul h PHE 31 N 0.27 1.21 0.08 0.00 0.04 -1.56 -1.49 116.94 115.49 1pul h PHE 31 Ca 0.63 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 61.32 1pul h PHE 31 Cb 1.35 -0.40 0.01 0.00 2.20 0.00 0.00 35.95 39.11 1pul h PHE 31 CO -0.15 0.66 -0.49 1.15 -0.60 0.00 0.00 178.31 178.87 1pul h THR 32 N 1.21 1.60 0.16 -1.55 2.02 -1.13 -0.37 112.91 114.86 1pul h THR 32 Ca 0.42 -2.40 0.01 0.00 0.77 0.00 0.00 66.41 65.22 1pul h THR 32 Cb 0.10 3.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 1pul h THR 32 CO -0.15 0.66 -0.23 0.11 0.37 0.00 0.00 175.52 176.27 1pul h LYS 33 N -0.57 -0.44 0.11 6.66 1.57 -1.16 -3.14 116.57 119.60 1pul h LYS 33 Ca -0.08 0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.43 1pul h LYS 33 Cb 1.36 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 1pul h LYS 33 CO 0.09 -0.29 -1.44 0.74 -0.57 0.00 0.00 179.45 177.98 1pul h PHE 34 N -0.46 0.44 -1.82 -1.35 0.04 -1.43 -3.49 116.94 108.87 1pul h PHE 34 Ca 0.02 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1pul h PHE 34 Cb 0.46 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1pul h PHE 34 CO -0.20 1.33 0.00 0.41 -0.60 0.00 0.00 178.31 179.25 1pul n GLY 35 N 1.62 0.55 2.67 -1.45 0.00 -0.20 -4.95 105.19 103.42 1pul n GLY 35 Ca -0.14 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.91 5.95 0.02 4.61 0.00 -0.87 -4.59 120.51 124.72 1pul n ALA 36 Ca 0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 53.44 49.52 1pul n ALA 36 Cb 0.41 -3.37 -0.01 0.00 0.00 0.00 0.00 19.45 16.48 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 5.70 -0.25 -2.37 0.00 0.00 -1.87 -3.39 119.26 117.07 1pul h ALA 37 Ca 0.60 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.76 1pul h ALA 37 Cb 0.56 0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.05 1pul h ALA 37 CO 1.80 -0.25 0.19 2.41 0.00 0.00 0.00 179.25 183.41 1pul n THR 38 N -2.84 3.90 -3.17 0.00 -1.04 -1.26 -4.45 114.28 105.42 1pul n THR 38 Ca -0.01 -5.45 0.02 0.00 -2.04 0.00 0.00 64.05 56.57 1pul n THR 38 Cb 0.04 -2.26 -0.01 0.00 -1.82 0.00 0.00 70.33 66.28 1pul n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pul s ALA 39 N -2.05 -2.52 -0.92 2.41 0.00 -1.26 -4.90 121.76 112.52 1pul s ALA 39 Ca 0.32 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 1pul s ALA 39 Cb 0.01 -2.69 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1pul s ALA 39 CO -0.02 -2.10 0.82 2.41 0.00 0.00 0.00 175.76 176.87 1pul n THR 40 N 4.75 -8.67 -3.27 0.00 -1.04 -1.26 -4.85 114.28 99.93 1pul n THR 40 Ca 0.09 -1.10 -0.33 0.00 -2.04 0.00 0.00 64.05 60.66 1pul n THR 40 Cb 0.56 -6.31 -0.06 0.00 -1.82 0.00 0.00 70.33 62.70 1pul n THR 40 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1pul s GLU 41 N -4.10 3.97 -0.17 -2.82 -1.05 -1.26 -5.03 118.70 108.23 1pul s GLU 41 Ca 0.36 0.53 0.01 0.00 -0.15 0.00 0.00 54.97 55.72 1pul s GLU 41 Cb -0.05 -2.68 0.02 0.00 -0.44 0.00 0.00 34.13 30.99 1pul s GLU 41 CO 0.68 0.31 -0.17 -1.64 0.95 0.00 0.00 175.26 175.40 1pul s MET 42 N -2.56 2.63 0.77 -4.83 -1.94 -1.26 -5.11 119.30 107.01 1pul s MET 42 Ca 0.47 -0.74 -0.15 0.00 -1.71 0.00 0.00 55.69 53.55 1pul s MET 42 Cb -0.12 -2.39 0.01 0.00 2.01 0.00 0.00 34.83 34.33 1pul s MET 42 CO 0.19 -0.25 0.80 2.41 -0.01 0.00 0.00 175.02 178.16 1pul n THR 43 N 4.68 1.95 -0.29 2.05 -1.04 -1.22 -4.38 114.28 116.03 1pul n THR 43 Ca -0.19 -0.32 0.18 0.00 -2.04 0.00 0.00 64.05 61.68 1pul n THR 43 Cb 0.49 -0.94 0.46 0.00 -1.82 0.00 0.00 70.33 68.53 1pul n THR 43 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1pul h GLY 44 N -0.59 1.16 0.95 3.41 0.00 0.05 0.37 103.07 108.43 1pul h GLY 44 Ca -0.46 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 46.66 1pul h GLY 44 CO 0.44 -0.03 0.63 1.70 0.00 0.00 0.00 176.54 179.28 1pul h LYS 45 N 0.51 1.20 0.03 4.80 3.64 -1.89 0.29 116.57 125.15 1pul h LYS 45 Ca 0.52 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.58 1pul h LYS 45 Cb 1.14 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1pul h LYS 45 CO -0.25 0.79 -1.02 -0.91 -2.27 0.00 0.00 179.45 175.79 1pul h ASN 46 N 1.24 0.60 -0.35 4.20 4.21 -0.67 -1.22 115.58 123.59 1pul h ASN 46 Ca 0.38 -0.51 -0.17 0.00 1.21 0.00 0.00 56.30 57.22 1pul h ASN 46 Cb -0.03 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 36.98 1pul h ASN 46 CO -0.11 1.32 -0.42 0.15 -1.29 0.00 0.00 177.43 177.07 1pul h PHE 47 N 0.23 1.11 0.00 1.19 3.57 -0.83 -1.25 116.94 120.96 1pul h PHE 47 Ca -0.10 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1pul h PHE 47 Cb 1.68 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1pul h PHE 47 CO 0.07 1.18 -0.03 0.22 -2.23 0.00 0.00 178.31 177.52 1pul h ASP 48 N 0.72 0.00 -0.10 0.41 3.58 -0.37 -1.70 116.42 118.96 1pul h ASP 48 Ca 0.05 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1pul h ASP 48 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1pul h ASP 48 CO 0.10 0.03 -0.33 0.50 -2.88 0.00 0.00 179.24 176.67 1pul h LYS 49 N 0.00 0.41 -0.84 0.28 3.11 -0.74 0.07 116.57 118.86 1pul h LYS 49 Ca -0.00 -0.30 0.16 0.00 -2.81 0.00 0.00 60.65 57.70 1pul h LYS 49 Cb 0.06 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.28 1pul h LYS 49 CO 0.00 0.92 0.55 2.35 -2.81 0.00 0.00 179.45 180.46 1pul h TRP 50 N -0.03 0.63 0.02 1.91 2.91 -0.58 0.88 115.95 121.69 1pul h TRP 50 Ca -0.01 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 1pul h TRP 50 Cb 0.95 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1pul h TRP 50 CO 0.11 0.22 -0.11 -0.07 -1.03 0.00 0.00 178.44 177.56 1pul h LEU 51 N 0.53 0.07 -0.71 0.65 -0.00 -1.03 -3.04 115.31 111.78 1pul h LEU 51 Ca 0.42 -0.98 -0.14 0.00 -0.00 0.00 0.00 57.88 57.19 1pul h LEU 51 Cb 0.85 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 1pul h LEU 51 CO -0.17 1.04 -0.50 0.11 -0.00 0.00 0.00 178.44 178.92 1pul h LYS 52 N -0.89 0.37 0.00 1.13 1.57 -0.80 -2.67 116.57 115.28 1pul h LYS 52 Ca -0.02 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1pul h LYS 52 Cb 1.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1pul h LYS 52 CO 0.02 0.79 -0.55 0.22 -0.57 0.00 0.00 179.45 179.36 1pul h ASP 53 N 0.29 0.00 0.55 0.86 3.58 -0.97 -3.01 116.42 117.73 1pul h ASP 53 Ca 0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1pul h ASP 53 Cb 0.99 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 1pul h ASP 53 CO 0.08 0.55 -0.62 0.00 -2.88 0.00 0.00 179.24 176.38 1pul h ALA 54 N 1.45 0.94 0.00 -0.78 0.00 -1.39 -3.47 119.26 116.01 1pul h ALA 54 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pul h ALA 54 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pul h ALA 54 CO 0.07 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1pul n GLY 55 N 0.26 0.73 0.08 0.00 0.00 -1.03 -4.96 105.19 100.27 1pul n GLY 55 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 1.37 -3.58 1.61 2.07 -1.81 -3.41 116.25 112.50 1pul h VAL 56 Ca 0.00 -2.19 -0.73 0.00 0.82 0.00 0.00 66.70 64.59 1pul h VAL 56 Cb 0.00 2.76 -0.31 0.00 -1.52 0.00 0.00 31.29 32.22 1pul h VAL 56 CO 0.00 0.47 -0.22 -0.22 0.02 0.00 0.00 177.57 177.62 1pul s LEU 57 N -8.12 5.84 0.12 2.57 0.20 -1.08 -4.90 118.68 113.31 1pul s LEU 57 Ca -0.21 -2.60 -0.01 0.00 0.69 0.00 0.00 54.13 52.00 1pul s LEU 57 Cb 0.00 -2.01 -0.15 0.00 -0.43 0.00 0.00 46.19 43.60 1pul s LEU 57 CO 0.61 -0.51 1.26 -2.24 -0.29 0.00 0.00 176.35 175.19 1pul h ASP 58 N 7.58 0.33 -2.60 3.68 3.04 -1.82 -2.98 116.42 123.65 1pul h ASP 58 Ca -0.02 -0.31 -0.41 0.00 -3.24 0.00 0.00 57.03 53.06 1pul h ASP 58 Cb 1.01 -0.10 -0.04 0.00 -1.04 0.00 0.00 39.33 39.15 1pul h ASP 58 CO 0.76 1.17 -0.50 -3.20 -2.04 0.00 0.00 179.24 175.43 1pul n ASN 59 N -3.58 -5.72 0.00 4.15 2.85 -1.26 -4.79 115.26 106.90 1pul n ASN 59 Ca -0.05 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1pul n ASN 59 Cb 0.91 -4.78 0.00 0.00 1.24 0.00 0.00 39.78 37.15 1pul n ASN 59 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1pul n LYS 60 N -2.86 0.00 0.00 1.20 4.81 -1.26 -4.85 118.16 115.19 1pul n LYS 60 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 1pul n LYS 60 Cb 0.68 -0.51 0.00 0.00 0.02 0.00 0.00 35.03 35.22 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 -2.83 1.77 -0.88 3.14 0.00 -1.26 -5.07 120.51 115.38 1pul n ALA 61 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1pul n ALA 61 Cb 0.43 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.05 1pul n ALA 61 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1pul s ILE 62 N -1.73 2.33 0.54 0.00 2.07 -1.26 -4.99 121.20 118.16 1pul s ILE 62 Ca 0.00 0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 59.17 1pul s ILE 62 Cb 0.00 -2.35 -0.06 0.00 0.13 0.00 0.00 42.46 40.18 1pul s ILE 62 CO 0.00 -0.14 1.05 0.42 -1.91 0.00 0.00 174.94 174.36 1pul s THR 63 N -2.72 3.83 -0.20 4.00 -4.23 -1.26 -4.80 115.64 110.26 1pul s THR 63 Ca 0.66 1.00 0.19 0.00 -1.18 0.00 0.00 61.69 62.36 1pul s THR 63 Cb -0.21 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 1pul s THR 63 CO 0.59 -0.39 1.06 1.23 -0.54 0.00 0.00 174.62 176.58 1pul h GLY 64 N 1.00 0.00 0.94 3.99 0.00 -1.99 -3.30 103.07 103.73 1pul h GLY 64 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1pul h GLY 64 CO 0.58 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.88 1pul h THR 65 N 0.00 0.12 -0.19 4.70 2.02 -1.99 -0.55 112.91 117.02 1pul h THR 65 Ca -0.06 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1pul h THR 65 Cb 1.27 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1pul h THR 65 CO 0.03 0.00 -0.03 0.24 0.37 0.00 0.00 175.52 176.13 1pul h MET 66 N -1.20 0.35 0.09 6.66 2.07 -1.96 -2.78 114.93 118.17 1pul h MET 66 Ca -0.12 -0.13 -0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1pul h MET 66 Cb 0.87 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 1pul h MET 66 CO 0.19 0.59 -0.04 1.79 1.07 0.00 0.00 176.91 180.51 1pul h THR 67 N 0.08 1.11 -0.19 2.22 1.35 -1.63 -1.63 112.91 114.22 1pul h THR 67 Ca 0.05 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1pul h THR 67 Cb 0.45 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1pul h THR 67 CO 0.02 0.19 0.08 1.23 -0.25 0.00 0.00 175.52 176.78 1pul h GLY 68 N -0.47 0.30 1.91 5.82 0.00 -1.19 -2.65 103.07 106.79 1pul h GLY 68 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1pul h GLY 68 CO 0.02 0.15 -0.31 -2.22 0.00 0.00 0.00 176.54 174.18 1pul h ILE 69 N 0.16 1.24 0.50 2.60 2.04 -1.56 -1.57 117.51 120.92 1pul h ILE 69 Ca 0.06 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1pul h ILE 69 Cb 0.16 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1pul h ILE 69 CO -0.01 0.34 -0.41 0.00 0.00 0.00 0.00 178.15 178.07 1pul h ALA 70 N 1.60 -0.95 -0.62 1.87 0.00 -0.95 0.09 119.26 120.29 1pul h ALA 70 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pul h ALA 70 Cb 0.60 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1pul h ALA 70 CO 0.04 -1.07 0.40 0.74 0.00 0.00 0.00 179.25 179.37 1pul h PHE 71 N -0.90 0.76 -0.01 0.00 0.04 -1.32 0.14 116.94 115.65 1pul h PHE 71 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1pul h PHE 71 Cb 0.77 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1pul h PHE 71 CO -0.18 0.46 0.01 1.03 -0.60 0.00 0.00 178.31 179.03 1pul h SER 72 N 0.81 0.00 0.02 2.17 0.87 -1.06 -2.40 113.55 113.97 1pul h SER 72 Ca 0.24 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.46 1pul h SER 72 Cb -0.05 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1pul h SER 72 CO -0.07 0.00 -1.87 1.17 -0.53 0.00 0.00 176.83 175.53 1pul n LYS 73 N -4.11 0.61 0.29 2.24 3.00 -0.00 -3.87 118.16 116.32 1pul n LYS 73 Ca -0.03 0.40 -0.13 0.00 -0.00 0.00 0.00 58.31 58.55 1pul n LYS 73 Cb 0.09 -1.64 -0.07 0.00 0.00 0.00 0.00 35.03 33.41 1pul n LYS 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1pul h VAL 74 N -0.76 0.17 0.00 3.15 -1.51 -0.70 -3.39 116.25 113.20 1pul h VAL 74 Ca -0.49 -0.42 -0.11 0.00 -1.23 0.00 0.00 66.70 64.45 1pul h VAL 74 Cb 1.56 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1pul h VAL 74 CO -0.22 0.03 -0.80 0.71 -1.23 0.00 0.00 177.57 176.05 1pul h THR 75 N -1.12 0.51 0.00 7.19 1.35 -1.66 -3.44 112.91 115.73 1pul h THR 75 Ca -0.08 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1pul h THR 75 Cb 0.63 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1pul h THR 75 CO 0.13 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1pul n GLY 76 N 1.54 0.85 0.00 5.82 0.00 -1.09 -4.89 105.19 107.42 1pul n GLY 76 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1pul n GLY 76 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pul n PRO 77 N 0.00 -0.74 0.01 1.61 -0.02 -1.26 -4.80 135.00 129.80 1pul n PRO 77 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1pul n PRO 77 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1pul n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pul n LYS 78 N -1.29 0.18 0.00 -0.52 5.02 -1.26 -4.66 118.16 115.63 1pul n LYS 78 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1pul n LYS 78 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -1.76 0.00 -3.02 1.97 5.02 -1.26 -0.33 118.16 118.78 1pul n LYS 79 Ca 0.03 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1pul n LYS 79 Cb 0.40 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1pul n LYS 79 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pul n LYS 80 N -1.21 -0.76 0.00 1.97 4.81 -1.26 -1.89 118.16 119.83 1pul n LYS 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pul n LYS 80 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1pul n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pul n ALA 81 N 0.00 0.00 -3.00 3.14 0.00 -1.26 -4.81 120.51 114.58 1pul n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pul n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.20 0.00 5.66 -1.26 -4.42 114.28 114.06 1pul n THR 82 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1pul n THR 82 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 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 0.73 -1.59 0.19 1.09 3.57 -1.85 0.67 116.94 119.75 1pul h PHE 83 Ca 0.00 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1pul h PHE 83 Cb 0.00 0.76 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1pul h PHE 83 CO 0.00 -0.41 -0.14 0.22 -2.23 0.00 0.00 178.31 175.75 1pul h ASP 84 N -0.25 -0.37 -0.87 0.41 3.58 -1.98 0.10 116.42 117.05 1pul h ASP 84 Ca 0.09 0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.68 1pul h ASP 84 Cb 0.48 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1pul h ASP 84 CO -0.63 -0.23 0.56 -0.33 -2.88 0.00 0.00 179.24 175.74 1pul h GLU 85 N -0.34 0.78 -0.37 0.28 3.07 -1.79 -0.02 114.58 116.19 1pul h GLU 85 Ca -0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1pul h GLU 85 Cb 0.30 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1pul h GLU 85 CO -0.01 0.52 -0.15 1.15 -1.40 0.00 0.00 179.01 179.12 1pul h THR 86 N 0.80 1.28 0.00 1.13 2.02 0.35 -2.22 112.91 116.28 1pul h THR 86 Ca 0.41 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1pul h THR 86 Cb 0.49 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1pul h THR 86 CO -0.17 0.42 -0.43 0.07 0.37 0.00 0.00 175.52 175.77 1pul h LYS 87 N 0.55 0.00 0.57 6.66 2.10 -0.18 -2.19 116.57 124.08 1pul h LYS 87 Ca 0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 1pul h LYS 87 Cb 0.68 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1pul h LYS 87 CO 0.05 0.43 -0.27 0.87 -2.00 0.00 0.00 179.45 178.52 1pul h LYS 88 N 0.00 -0.74 -0.64 0.07 1.57 -0.82 -2.31 116.57 113.71 1pul h LYS 88 Ca -0.00 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1pul h LYS 88 Cb 0.93 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1pul h LYS 88 CO 0.06 -0.45 0.16 -0.24 -0.57 0.00 0.00 179.45 178.40 1pul h VAL 89 N -0.89 1.25 -0.56 0.50 3.04 -1.33 0.06 116.25 118.33 1pul h VAL 89 Ca -0.08 -0.92 -0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1pul h VAL 89 Cb 0.63 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 1pul h VAL 89 CO 0.13 0.35 0.33 -0.07 -1.01 0.00 0.00 177.57 177.30 1pul h LEU 90 N 0.94 0.66 -0.21 3.16 3.38 -1.45 0.67 115.31 122.45 1pul h LEU 90 Ca 0.20 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1pul h LEU 90 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pul h LEU 90 CO 0.00 0.51 -0.23 0.00 0.09 0.00 0.00 178.44 178.82 1pul h ALA 91 N 1.60 0.32 -0.37 1.53 0.00 -0.76 -1.98 119.26 119.60 1pul h ALA 91 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pul h ALA 91 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pul h ALA 91 CO -0.04 0.28 0.19 0.74 0.00 0.00 0.00 179.25 180.41 1pul h PHE 92 N 0.22 0.53 -0.42 0.00 0.04 -0.35 0.20 116.94 117.15 1pul h PHE 92 Ca 0.03 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1pul h PHE 92 Cb 0.78 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1pul h PHE 92 CO 0.08 0.44 0.13 0.28 -0.60 0.00 0.00 178.31 178.65 1pul h VAL 93 N 0.47 1.22 -0.56 -0.55 2.07 -0.93 -0.95 116.25 117.02 1pul h VAL 93 Ca 0.13 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1pul h VAL 93 Cb 0.10 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1pul h VAL 93 CO -0.02 0.25 0.16 0.00 0.02 0.00 0.00 177.57 177.99 1pul h ALA 94 N 0.98 0.73 -0.57 1.67 0.00 -1.21 -2.96 119.26 117.91 1pul h ALA 94 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pul h ALA 94 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1pul h ALA 94 CO -0.00 0.41 0.27 1.49 0.00 0.00 0.00 179.25 181.41 1pul h GLU 95 N 0.78 0.79 -0.43 0.00 4.81 -0.33 -2.70 114.58 117.51 1pul h GLU 95 Ca 0.18 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1pul h GLU 95 Cb 0.30 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1pul h GLU 95 CO -0.00 0.62 -0.25 -3.47 -0.73 0.00 0.00 179.01 175.17 1pul n ASP 96 N -4.36 -0.46 -0.05 1.04 2.03 -0.39 -0.26 116.55 114.09 1pul n ASP 96 Ca 0.05 1.18 -0.08 0.00 0.52 0.00 0.00 54.79 56.46 1pul n ASP 96 Cb 0.13 -0.31 -0.15 0.00 -0.72 0.00 0.00 41.12 40.08 1pul n ASP 96 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pul n ARG 97 N -3.98 0.66 -0.18 -0.67 1.74 -1.24 -3.90 116.66 109.10 1pul n ARG 97 Ca 0.01 0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 1pul n ARG 97 Cb 0.11 -1.65 0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1pul n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pul h ALA 98 N 1.07 0.66 0.00 7.54 0.00 -1.27 -2.97 119.26 124.28 1pul h ALA 98 Ca -0.39 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1pul h ALA 98 Cb 2.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1pul h ALA 98 CO 0.05 0.17 -0.38 -0.09 0.00 0.00 0.00 179.25 179.00 1pul h ARG 99 N 0.68 0.00 -0.15 0.00 1.12 -0.79 0.50 114.38 115.75 1pul h ARG 99 Ca 0.18 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1pul h ARG 99 Cb 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 1pul h ARG 99 CO -0.03 0.38 0.03 1.96 -3.11 0.00 0.00 179.97 179.20 1pul h GLN 100 N 0.00 0.24 0.00 0.20 4.20 -1.64 -3.23 115.11 114.88 1pul h GLN 100 Ca -0.00 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1pul h GLN 100 Cb 0.98 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1pul h GLN 100 CO 0.05 0.40 -1.49 0.43 -0.67 0.00 0.00 178.83 177.55 1pul n SER 101 N -4.82 1.92 -0.08 1.46 7.64 -1.20 -4.78 113.62 113.76 1pul n SER 101 Ca -0.05 0.39 -0.22 0.00 1.01 0.00 0.00 58.87 60.00 1pul n SER 101 Cb 0.17 -0.81 -0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1pul n SER 101 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1pul n LYS 102 N -4.41 0.62 0.00 1.43 4.81 -0.00 -5.04 118.16 115.57 1pul n LYS 102 Ca -0.29 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1pul n LYS 102 Cb 0.63 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1pul n LYS 102 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pul n LYS 103 N -4.16 0.00 -1.74 1.64 5.02 0.15 -4.95 118.16 114.13 1pul n LYS 103 Ca -0.34 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.53 1pul n LYS 103 Cb 0.80 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.78 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1pul s PRO 104 N 0.00 4.15 0.10 1.97 0.02 -1.26 -4.12 135.00 135.85 1pul s PRO 104 Ca 0.00 2.54 -0.13 0.00 0.02 0.00 0.00 61.00 63.43 1pul s PRO 104 Cb 0.00 -4.05 -0.16 0.00 0.02 0.00 0.00 34.50 30.31 1pul s PRO 104 CO 0.00 -0.92 1.29 0.97 -0.33 0.00 0.00 177.00 178.02 1pul h ILE 105 N 5.48 1.28 -0.64 2.83 -0.00 -1.93 -3.23 117.51 121.29 1pul h ILE 105 Ca -0.47 -1.99 0.14 0.00 -0.00 0.00 0.00 64.86 62.54 1pul h ILE 105 Cb 1.23 2.01 -0.04 0.00 -0.00 0.00 0.00 36.82 40.02 1pul h ILE 105 CO 0.94 0.63 0.44 -0.61 -0.00 0.00 0.00 178.15 179.55 1pul h GLN 106 N 0.53 0.25 -0.25 2.19 5.75 -1.97 -1.38 115.11 120.23 1pul h GLN 106 Ca -0.06 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1pul h GLN 106 Cb 1.43 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 1pul h GLN 106 CO 0.16 0.16 0.08 0.22 -2.65 0.00 0.00 178.83 176.81 1pul h ASP 107 N 0.26 0.09 0.68 -0.69 3.58 -1.97 -0.14 116.42 118.23 1pul h ASP 107 Ca 0.31 0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.61 1pul h ASP 107 Cb 0.86 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 1pul h ASP 107 CO -0.07 0.09 -0.80 -0.08 -2.88 0.00 0.00 179.24 175.49 1pul h GLU 108 N 0.20 0.09 -0.15 0.28 4.57 -1.44 -1.31 114.58 116.81 1pul h GLU 108 Ca 0.11 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1pul h GLU 108 Cb 0.08 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1pul h GLU 108 CO -0.11 0.84 0.09 1.25 -1.18 0.00 0.00 179.01 179.90 1pul h LEU 109 N 0.05 0.19 -1.03 1.64 5.85 -1.01 0.49 115.31 121.49 1pul h LEU 109 Ca -0.02 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1pul h LEU 109 Cb 1.41 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1pul h LEU 109 CO 0.11 0.20 0.65 0.44 -0.34 0.00 0.00 178.44 179.50 1pul h ASP 110 N 0.16 1.06 0.21 1.25 3.32 -0.94 0.25 116.42 121.73 1pul h ASP 110 Ca 0.05 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1pul h ASP 110 Cb 0.05 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1pul h ASP 110 CO -0.01 0.71 -0.10 0.00 -1.72 0.00 0.00 179.24 178.12 1pul h ALA 111 N 1.44 -0.28 -0.24 3.45 0.00 -0.55 0.19 119.26 123.27 1pul h ALA 111 Ca 0.40 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1pul h ALA 111 Cb 0.06 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1pul h ALA 111 CO -0.14 -0.65 -0.24 0.82 0.00 0.00 0.00 179.25 179.05 1pul h ILE 112 N -0.30 0.40 -0.79 0.00 2.04 0.59 0.75 117.51 120.20 1pul h ILE 112 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1pul h ILE 112 Cb 0.23 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1pul h ILE 112 CO 0.05 0.00 0.52 0.74 0.00 0.00 0.00 178.15 179.46 1pul h THR 113 N -0.25 1.18 -0.41 -0.27 2.02 -0.82 -0.34 112.91 114.02 1pul h THR 113 Ca 0.14 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1pul h THR 113 Cb 0.46 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1pul h THR 113 CO -0.38 0.19 -0.27 -0.08 0.37 0.00 0.00 175.52 175.35 1pul h GLU 114 N 1.05 0.90 0.72 6.66 4.81 0.15 -2.33 114.58 126.53 1pul h GLU 114 Ca 0.30 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1pul h GLU 114 Cb -0.09 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1pul h GLU 114 CO -0.08 1.08 -0.35 0.87 -0.73 0.00 0.00 179.01 179.81 1pul h LYS 115 N 0.72 -0.93 0.00 1.92 1.57 0.94 -3.04 116.57 117.76 1pul h LYS 115 Ca 0.08 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1pul h LYS 115 Cb 0.85 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1pul h LYS 115 CO 0.07 -0.60 0.00 -0.07 -0.57 0.00 0.00 179.45 178.28 1pul h LEU 116 N -1.03 0.00 -1.17 2.94 3.38 -1.12 -0.19 115.31 118.12 1pul h LEU 116 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pul h LEU 116 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1pul h LEU 116 CO 0.16 0.00 0.46 0.00 0.09 0.00 0.00 178.44 179.15 1pul h ALA 117 N 2.13 1.38 0.00 1.53 0.00 -1.29 -2.87 119.26 120.14 1pul h ALA 117 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pul h ALA 117 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pul h ALA 117 CO 0.00 0.54 -1.54 1.17 0.00 0.00 0.00 179.25 179.42 1pul n LYS 118 N -4.39 0.75 -0.20 0.00 4.81 -0.80 -4.40 118.16 113.93 1pul n LYS 118 Ca 0.08 -0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1pul n LYS 118 Cb 0.07 -1.40 0.10 0.00 0.02 0.00 0.00 35.03 33.82 1pul n LYS 118 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1pul n LEU 119 N -1.92 1.90 0.00 3.14 7.94 -0.15 -5.15 117.00 122.76 1pul n LEU 119 Ca -0.01 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 53.93 1pul n LEU 119 Cb 0.41 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1pul n LEU 119 CO 0.37 0.32 0.00 -0.62 -1.11 0.00 0.00 177.39 176.35