#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul n TRP 19 N 0.00 1.07 -3.79 -2.53 7.02 -1.26 -4.69 117.44 113.26 1pul n TRP 19 Ca 0.00 0.02 -0.21 0.00 -1.02 0.00 0.00 57.50 56.29 1pul n TRP 19 Cb 0.00 -2.38 -0.04 0.00 -2.42 0.00 0.00 31.31 26.47 1pul n TRP 19 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1pul s ASP 20 N 9.89 5.25 0.29 -0.99 2.15 -1.26 -1.93 116.67 130.07 1pul s ASP 20 Ca 1.00 -0.53 -0.02 0.00 0.43 0.00 0.00 52.55 53.43 1pul s ASP 20 Cb -0.26 -0.92 0.64 0.00 -0.30 0.00 0.00 42.92 42.09 1pul s ASP 20 CO 0.19 -0.39 1.54 -0.67 -0.17 0.00 0.00 175.17 175.66 1pul n ASP 21 N -1.39 -0.20 0.06 -0.34 2.03 -1.26 0.05 116.55 115.49 1pul n ASP 21 Ca -0.01 1.68 -0.23 0.00 0.52 0.00 0.00 54.79 56.75 1pul n ASP 21 Cb 0.60 -0.57 -0.15 0.00 -0.72 0.00 0.00 41.12 40.28 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 1.96 0.15 -0.54 -1.67 0.00 -1.95 -3.34 119.26 113.88 1pul h ALA 22 Ca 0.55 -1.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1pul h ALA 22 Cb 1.05 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1pul h ALA 22 CO -0.96 0.97 0.16 0.22 0.00 0.00 0.00 179.25 179.65 1pul h ASP 23 N 0.03 0.78 -0.56 0.00 1.82 -1.52 0.38 116.42 117.34 1pul h ASP 23 Ca -0.33 -0.21 0.02 0.00 -0.39 0.00 0.00 57.03 56.11 1pul h ASP 23 Cb 2.03 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.81 1pul h ASP 23 CO 0.16 0.78 0.35 0.58 -1.61 0.00 0.00 179.24 179.50 1pul h VAL 24 N 0.74 1.09 -0.05 2.25 2.07 -0.57 -1.36 116.25 120.42 1pul h VAL 24 Ca 0.17 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 1pul h VAL 24 Cb 0.28 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1pul h VAL 24 CO -0.00 0.13 -0.62 0.11 0.02 0.00 0.00 177.57 177.21 1pul h LYS 25 N 0.71 0.17 -0.46 1.57 1.57 -1.57 0.96 116.57 119.53 1pul h LYS 25 Ca 0.22 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1pul h LYS 25 Cb -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pul h LYS 25 CO -0.08 0.73 -0.23 1.57 -0.57 0.00 0.00 179.45 180.88 1pul h LYS 26 N 0.12 0.96 -0.29 3.15 2.10 -0.65 0.17 116.57 122.13 1pul h LYS 26 Ca -0.01 -0.42 -0.06 0.00 -2.00 0.00 0.00 60.65 58.17 1pul h LYS 26 Cb 1.11 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1pul h LYS 26 CO 0.09 1.09 -0.03 0.00 -2.00 0.00 0.00 179.45 178.60 1pul h ARG 27 N 0.80 0.54 -0.79 0.07 -0.00 -1.00 -1.21 114.38 112.79 1pul h ARG 27 Ca 0.10 -0.19 0.04 0.00 -0.50 0.00 0.00 59.98 59.43 1pul h ARG 27 Cb 0.80 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.68 1pul h ARG 27 CO 0.07 0.71 0.50 -1.49 0.00 0.00 0.00 179.97 179.76 1pul h TRP 28 N 0.31 0.93 -0.65 3.04 4.06 -0.74 -2.42 115.95 120.48 1pul h TRP 28 Ca 0.08 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.08 1pul h TRP 28 Cb 0.49 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 1pul h TRP 28 CO 0.04 0.52 0.40 0.22 -3.56 0.00 0.00 178.44 176.06 1pul h ASP 29 N 0.96 0.65 -0.80 -3.49 3.58 -0.46 -2.57 116.42 114.28 1pul h ASP 29 Ca 0.32 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.93 1pul h ASP 29 Cb 0.05 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 40.87 1pul h ASP 29 CO -0.13 0.45 0.35 0.00 -2.88 0.00 0.00 179.24 177.03 1pul h ALA 30 N 1.28 1.17 0.86 -0.78 0.00 -0.71 0.23 119.26 121.32 1pul h ALA 30 Ca 0.26 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1pul h ALA 30 Cb 0.03 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pul h ALA 30 CO -0.11 -0.19 -0.42 0.74 0.00 0.00 0.00 179.25 179.27 1pul h PHE 31 N 0.49 -1.08 -0.34 0.00 0.04 -1.39 0.42 116.94 115.08 1pul h PHE 31 Ca 0.45 -0.03 -0.17 0.00 2.80 0.00 0.00 57.97 61.03 1pul h PHE 31 Cb 0.69 0.36 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1pul h PHE 31 CO -0.14 -0.67 -0.43 0.00 -0.60 0.00 0.00 178.31 176.47 1pul h THR 32 N -1.16 1.28 0.09 -1.55 1.03 -1.35 -1.15 112.91 110.09 1pul h THR 32 Ca -0.12 -1.61 -0.16 0.00 -0.01 0.00 0.00 66.41 64.51 1pul h THR 32 Cb 0.89 1.50 0.01 0.00 -1.07 0.00 0.00 68.15 69.47 1pul h THR 32 CO 0.19 0.53 -0.75 0.50 -0.01 0.00 0.00 175.52 175.98 1pul h LYS 33 N 0.69 0.19 0.00 0.00 3.64 -0.67 -3.42 116.57 117.00 1pul h LYS 33 Ca 0.04 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1pul h LYS 33 Cb 1.03 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1pul h LYS 33 CO 0.10 1.15 -1.25 1.19 -2.27 0.00 0.00 179.45 178.38 1pul n PHE 34 N -4.24 0.18 0.00 1.91 3.72 -0.53 -5.05 117.46 113.45 1pul n PHE 34 Ca -0.16 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1pul n PHE 34 Cb 0.74 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1pul n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pul n GLY 35 N 1.44 1.50 0.00 1.37 0.00 0.14 -5.00 105.19 104.64 1pul n GLY 35 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.00 -0.05 4.61 0.00 -1.08 -4.39 120.51 119.60 1pul n ALA 36 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pul n ALA 36 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.01 -1.48 0.00 0.00 -1.88 -3.45 119.26 112.44 1pul h ALA 37 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1pul h ALA 37 Cb 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.55 1pul h ALA 37 CO 0.00 -0.01 -0.60 -0.08 0.00 0.00 0.00 179.25 178.56 1pul s THR 38 N -1.85 -0.62 -0.50 0.00 -1.32 -1.26 -5.05 115.64 105.03 1pul s THR 38 Ca -0.07 -0.84 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 1pul s THR 38 Cb -0.01 -0.36 0.21 0.00 -1.51 0.00 0.00 72.50 70.83 1pul s THR 38 CO 0.26 -0.34 0.81 0.00 -2.21 0.00 0.00 174.62 173.14 1pul n ALA 39 N 3.88 -1.75 0.19 11.08 0.00 -1.26 -4.98 120.51 127.67 1pul n ALA 39 Ca 0.15 -1.15 0.09 0.00 0.00 0.00 0.00 53.44 52.53 1pul n ALA 39 Cb 0.52 -1.48 0.12 0.00 0.00 0.00 0.00 19.45 18.60 1pul n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul h THR 40 N 4.11 0.21 -3.66 0.00 1.03 -1.97 -3.46 112.91 109.17 1pul h THR 40 Ca -0.03 -1.31 -0.18 0.00 -0.01 0.00 0.00 66.41 64.89 1pul h THR 40 Cb 1.08 2.05 -0.23 0.00 -1.07 0.00 0.00 68.15 69.98 1pul h THR 40 CO 0.14 0.12 -0.61 -0.70 -0.01 0.00 0.00 175.52 174.46 1pul s GLU 41 N -3.16 0.28 -0.38 0.00 2.12 -1.26 -4.93 118.70 111.37 1pul s GLU 41 Ca 0.05 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1pul s GLU 41 Cb 0.06 0.11 0.15 0.00 0.26 0.00 0.00 34.13 34.72 1pul s GLU 41 CO 0.70 -0.05 0.33 1.41 -0.54 0.00 0.00 175.26 177.11 1pul s MET 42 N -0.83 0.67 0.48 4.30 1.75 -0.64 -4.97 119.30 120.06 1pul s MET 42 Ca -0.09 -1.25 -0.05 0.00 -1.25 0.00 0.00 55.69 53.05 1pul s MET 42 Cb -0.05 -1.01 -0.04 0.00 2.84 0.00 0.00 34.83 36.57 1pul s MET 42 CO 0.00 -1.24 0.79 0.95 -0.65 0.00 0.00 175.02 174.87 1pul s THR 43 N 1.04 4.91 0.17 10.11 -4.23 -1.26 -3.64 115.64 122.74 1pul s THR 43 Ca 0.21 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 1pul s THR 43 Cb -0.14 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.89 1pul s THR 43 CO -0.04 -0.84 1.74 1.23 -0.54 0.00 0.00 174.62 176.17 1pul h GLY 44 N 0.25 0.51 1.55 3.99 0.00 -1.94 0.42 103.07 107.85 1pul h GLY 44 Ca -0.47 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 1pul h GLY 44 CO 0.62 0.00 -0.71 1.70 0.00 0.00 0.00 176.54 178.15 1pul h LYS 45 N 0.27 0.44 -0.23 4.80 3.64 -1.97 0.12 116.57 123.64 1pul h LYS 45 Ca 0.19 -0.35 -0.13 0.00 -1.27 0.00 0.00 60.65 59.09 1pul h LYS 45 Cb 0.20 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1pul h LYS 45 CO -0.22 0.98 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.62 1pul h ASN 46 N 0.31 0.58 -0.07 4.20 2.35 -1.88 -1.02 115.58 120.04 1pul h ASN 46 Ca -0.03 -0.26 -0.14 0.00 -0.55 0.00 0.00 56.30 55.32 1pul h ASN 46 Cb 1.28 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1pul h ASN 46 CO 0.12 0.92 -0.43 0.15 -1.65 0.00 0.00 177.43 176.55 1pul h PHE 47 N 0.45 0.74 -0.02 1.19 3.57 -0.75 -2.27 116.94 119.84 1pul h PHE 47 Ca 0.04 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.32 1pul h PHE 47 Cb 0.91 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1pul h PHE 47 CO 0.04 0.94 0.02 0.22 -2.23 0.00 0.00 178.31 177.29 1pul h ASP 48 N 0.50 0.00 -0.08 0.41 1.82 -0.35 -0.88 116.42 117.84 1pul h ASP 48 Ca 0.04 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.60 1pul h ASP 48 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1pul h ASP 48 CO 0.09 0.00 -0.23 0.11 -1.61 0.00 0.00 179.24 177.60 1pul h LYS 49 N 0.00 0.30 -0.67 0.28 1.57 -0.62 0.37 116.57 117.81 1pul h LYS 49 Ca 0.01 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1pul h LYS 49 Cb 0.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1pul h LYS 49 CO -0.00 0.83 0.44 2.35 -0.57 0.00 0.00 179.45 182.50 1pul h TRP 50 N -0.17 0.83 0.00 -1.35 -0.00 -1.11 -0.93 115.95 113.23 1pul h TRP 50 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1pul h TRP 50 Cb 0.84 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.72 1pul h TRP 50 CO 0.12 0.52 -0.00 -0.07 -0.00 0.00 0.00 178.44 179.01 1pul h LEU 51 N 0.89 -0.00 -0.11 0.65 -0.00 -1.03 -3.27 115.31 112.44 1pul h LEU 51 Ca 0.25 -0.55 -0.07 0.00 -0.00 0.00 0.00 57.88 57.51 1pul h LEU 51 Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1pul h LEU 51 CO -0.06 0.77 -0.20 0.50 -0.00 0.00 0.00 178.44 179.45 1pul h LYS 52 N -1.00 0.33 0.00 1.13 3.11 -0.27 0.72 116.57 120.59 1pul h LYS 52 Ca -0.00 -0.21 -0.03 0.00 -2.81 0.00 0.00 60.65 57.60 1pul h LYS 52 Cb 0.55 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1pul h LYS 52 CO 0.00 0.80 -0.16 0.22 -2.81 0.00 0.00 179.45 177.50 1pul h ASP 53 N -0.10 0.00 0.42 4.20 3.58 -1.32 -2.35 116.42 120.85 1pul h ASP 53 Ca 0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.26 1pul h ASP 53 Cb 0.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1pul h ASP 53 CO 0.05 0.16 -0.83 0.00 -2.88 0.00 0.00 179.24 175.73 1pul h ALA 54 N 1.84 0.53 0.00 -0.78 0.00 -1.61 -3.48 119.26 115.77 1pul h ALA 54 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1pul h ALA 54 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pul h ALA 54 CO 0.02 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1pul n GLY 55 N 0.76 1.50 0.11 0.00 0.00 -0.88 -4.95 105.19 101.73 1pul n GLY 55 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1pul n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pul n VAL 56 N -0.47 1.53 -2.68 1.61 0.31 -0.24 -4.64 118.33 113.75 1pul n VAL 56 Ca 0.00 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1pul n VAL 56 Cb 0.00 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 30.91 1pul n VAL 56 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1pul s LEU 57 N -7.77 4.05 0.11 7.52 2.96 0.08 -4.77 118.68 120.86 1pul s LEU 57 Ca -0.32 -1.97 -0.04 0.00 -0.22 0.00 0.00 54.13 51.59 1pul s LEU 57 Cb 0.08 -2.52 -0.17 0.00 0.50 0.00 0.00 46.19 44.09 1pul s LEU 57 CO 0.56 -1.26 1.24 -0.78 -1.32 0.00 0.00 176.35 174.79 1pul h ASP 58 N 8.80 0.48 0.00 3.68 1.82 -1.87 -3.37 116.42 125.97 1pul h ASP 58 Ca 0.26 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1pul h ASP 58 Cb 0.97 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1pul h ASP 58 CO 1.35 1.27 0.00 -3.20 -1.61 0.00 0.00 179.24 177.06 1pul n ASN 59 N -3.66 0.00 0.42 2.28 5.15 -1.26 -4.49 115.26 113.70 1pul n ASN 59 Ca -0.07 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.74 1pul n ASN 59 Cb 0.91 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 40.08 1pul n ASN 59 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pul h LYS 60 N 0.00 -1.05 -0.01 1.20 6.56 -2.00 -3.18 116.57 118.09 1pul h LYS 60 Ca 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1pul h LYS 60 Cb 0.00 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1pul h LYS 60 CO 0.00 -0.70 -0.14 0.00 -2.06 0.00 0.00 179.45 176.55 1pul n ALA 61 N -2.70 2.83 -2.77 3.86 0.00 -1.26 -4.82 120.51 115.65 1pul n ALA 61 Ca -0.14 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1pul n ALA 61 Cb 0.43 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.42 5.26 -0.48 0.00 -1.09 -1.20 -4.96 121.20 116.32 1pul s ILE 62 Ca 0.29 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 1pul s ILE 62 Cb 0.20 -3.38 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1pul s ILE 62 CO 0.47 0.47 1.11 -0.89 -1.23 0.00 0.00 174.94 174.87 1pul s THR 63 N 0.14 4.24 -0.23 2.92 2.01 -1.26 -4.42 115.64 119.04 1pul s THR 63 Ca 0.08 1.16 0.27 0.00 0.31 0.00 0.00 61.69 63.51 1pul s THR 63 Cb -0.11 -4.59 0.29 0.00 0.01 0.00 0.00 72.50 68.10 1pul s THR 63 CO -0.01 -0.99 1.81 1.23 -0.69 0.00 0.00 174.62 175.97 1pul h GLY 64 N 11.14 0.00 0.49 4.40 0.00 -1.97 -1.41 103.07 115.73 1pul h GLY 64 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1pul h GLY 64 CO 1.12 0.00 -0.06 -0.91 0.00 0.00 0.00 176.54 176.69 1pul h THR 65 N 0.00 1.45 -0.01 4.70 1.35 -1.98 -0.49 112.91 117.92 1pul h THR 65 Ca 0.00 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.39 1pul h THR 65 Cb 0.31 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1pul h THR 65 CO 0.00 0.38 -0.21 -0.03 -0.25 0.00 0.00 175.52 175.41 1pul h MET 66 N -0.46 0.16 -0.27 4.72 1.85 -1.90 -3.19 114.93 115.83 1pul h MET 66 Ca 0.00 -0.16 -0.16 0.00 -0.61 0.00 0.00 59.70 58.77 1pul h MET 66 Cb 0.65 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.71 1pul h MET 66 CO 0.01 0.88 -0.47 1.79 -0.40 0.00 0.00 176.91 178.72 1pul h THR 67 N -0.50 1.29 -0.85 -0.77 1.35 -1.40 -2.39 112.91 109.64 1pul h THR 67 Ca -0.02 -1.67 0.04 0.00 -0.55 0.00 0.00 66.41 64.20 1pul h THR 67 Cb 0.94 1.59 -0.05 0.00 -1.73 0.00 0.00 68.15 68.90 1pul h THR 67 CO 0.04 0.54 0.54 1.23 -0.25 0.00 0.00 175.52 177.62 1pul h GLY 68 N 0.91 1.24 1.12 5.82 0.00 -1.19 0.23 103.07 111.20 1pul h GLY 68 Ca 0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1pul h GLY 68 CO 0.10 0.34 -0.22 -2.22 0.00 0.00 0.00 176.54 174.54 1pul h ILE 69 N 1.04 1.27 0.25 2.60 2.04 -1.52 -2.05 117.51 121.13 1pul h ILE 69 Ca 0.34 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1pul h ILE 69 Cb 0.04 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pul h ILE 69 CO -0.13 0.48 -0.21 0.00 0.00 0.00 0.00 178.15 178.29 1pul h ALA 70 N 0.87 -0.46 -0.62 1.87 0.00 -0.75 0.45 119.26 120.62 1pul h ALA 70 Ca 0.11 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1pul h ALA 70 Cb 0.80 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1pul h ALA 70 CO 0.07 -0.78 0.30 0.74 0.00 0.00 0.00 179.25 179.58 1pul h PHE 71 N -0.48 0.55 -0.26 0.00 -1.00 -0.55 -0.43 116.94 114.76 1pul h PHE 71 Ca -0.01 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.66 1pul h PHE 71 Cb 0.43 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1pul h PHE 71 CO -0.14 0.23 -0.40 0.77 -1.61 0.00 0.00 178.31 177.16 1pul h SER 72 N 0.55 0.64 0.56 2.17 0.02 -1.13 0.93 113.55 117.30 1pul h SER 72 Ca 0.29 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1pul h SER 72 Cb 0.25 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1pul h SER 72 CO -0.22 0.97 -0.62 0.50 -1.14 0.00 0.00 176.83 176.32 1pul h LYS 73 N 0.50 0.06 0.39 3.45 3.64 -0.48 -1.91 116.57 122.21 1pul h LYS 73 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pul h LYS 73 Cb 0.91 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1pul h LYS 73 CO 0.08 0.66 -0.19 0.28 -2.27 0.00 0.00 179.45 178.01 1pul h VAL 74 N 0.04 0.00 0.00 2.00 2.07 -0.83 -3.43 116.25 116.11 1pul h VAL 74 Ca -0.01 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1pul h VAL 74 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1pul h VAL 74 CO 0.08 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.02 1pul n THR 75 N -4.89 0.00 0.00 2.57 -2.24 0.30 -4.69 114.28 105.33 1pul n THR 75 Ca -0.07 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1pul n THR 75 Cb 0.21 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1pul n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pul n GLY 76 N 1.82 1.80 3.70 3.38 0.00 -0.72 -4.89 105.19 110.28 1pul n GLY 76 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1pul n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pul s PRO 77 N 0.00 1.31 0.18 1.61 0.04 -1.26 -4.93 135.00 131.95 1pul s PRO 77 Ca 0.00 1.48 0.26 0.00 0.04 0.00 0.00 61.00 62.78 1pul s PRO 77 Cb 0.00 -1.77 0.89 0.00 0.04 0.00 0.00 34.50 33.67 1pul s PRO 77 CO 0.00 -2.40 1.78 1.17 0.04 0.00 0.00 177.00 177.58 1pul n LYS 78 N -4.04 0.21 0.22 4.56 4.81 -1.26 -4.20 118.16 118.46 1pul n LYS 78 Ca 0.11 0.22 -0.16 0.00 -0.87 0.00 0.00 58.31 57.61 1pul n LYS 78 Cb 0.52 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 1pul n LYS 78 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1pul h LYS 79 N 0.00 -0.83 -2.24 1.64 6.56 -1.92 -3.36 116.57 116.42 1pul h LYS 79 Ca 0.00 0.06 0.18 0.00 -1.06 0.00 0.00 60.65 59.82 1pul h LYS 79 Cb 0.63 0.19 -0.10 0.00 -0.57 0.00 0.00 32.23 32.38 1pul h LYS 79 CO 0.00 -0.55 0.52 0.21 -2.06 0.00 0.00 179.45 177.57 1pul s LYS 80 N -5.60 1.03 -0.63 3.15 2.20 -1.24 -1.62 119.74 117.03 1pul s LYS 80 Ca -0.16 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 1pul s LYS 80 Cb 0.04 0.37 0.16 0.00 -1.51 0.00 0.00 37.83 36.90 1pul s LYS 80 CO 0.55 -0.47 0.47 0.00 -0.36 0.00 0.00 175.35 175.55 1pul s ALA 81 N -3.16 3.62 1.37 3.13 0.00 -1.25 -4.73 121.76 120.74 1pul s ALA 81 Ca 0.11 -3.15 -0.19 0.00 0.00 0.00 0.00 51.96 48.73 1pul s ALA 81 Cb -0.01 -2.80 0.29 0.00 0.00 0.00 0.00 23.12 20.60 1pul s ALA 81 CO -0.01 -2.09 0.67 -2.37 0.00 0.00 0.00 175.76 171.96 1pul n THR 82 N 3.78 0.00 0.00 0.00 5.66 -1.26 -4.22 114.28 118.24 1pul n THR 82 Ca 0.07 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1pul n THR 82 Cb 0.40 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1pul n THR 82 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1pul n PHE 83 N -5.15 0.00 0.13 1.09 3.72 -1.26 -1.25 117.46 114.74 1pul n PHE 83 Ca 0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.49 1pul n PHE 83 Cb 0.46 -0.42 0.17 0.00 -0.94 0.00 0.00 39.48 38.75 1pul n PHE 83 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1pul h ASP 84 N 0.00 0.04 -0.38 4.37 3.58 -1.97 -3.00 116.42 119.06 1pul h ASP 84 Ca 0.00 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.50 1pul h ASP 84 Cb 0.00 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 40.95 1pul h ASP 84 CO 0.00 0.63 -0.33 -0.33 -2.88 0.00 0.00 179.24 176.33 1pul h GLU 85 N 0.03 -0.26 -0.93 0.28 3.07 -1.79 0.46 114.58 115.43 1pul h GLU 85 Ca -0.01 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1pul h GLU 85 Cb 1.07 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.99 1pul h GLU 85 CO 0.08 -0.17 0.61 1.15 -1.40 0.00 0.00 179.01 179.28 1pul h THR 86 N -0.27 1.16 -0.71 1.13 2.02 -1.03 -0.87 112.91 114.34 1pul h THR 86 Ca 0.16 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 1pul h THR 86 Cb 0.54 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1pul h THR 86 CO -0.53 0.21 0.23 0.50 0.37 0.00 0.00 175.52 176.31 1pul h LYS 87 N 1.17 1.09 0.55 6.66 3.64 -1.21 -2.78 116.57 125.69 1pul h LYS 87 Ca 0.37 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1pul h LYS 87 Cb 0.02 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1pul h LYS 87 CO -0.11 0.93 -0.26 0.87 -2.27 0.00 0.00 179.45 178.60 1pul h LYS 88 N 1.03 -0.71 -0.45 1.90 1.57 0.11 -2.62 116.57 117.41 1pul h LYS 88 Ca 0.23 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1pul h LYS 88 Cb 0.28 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1pul h LYS 88 CO -0.01 -0.47 0.30 -0.24 -0.57 0.00 0.00 179.45 178.46 1pul h VAL 89 N -0.75 1.11 -0.17 0.50 3.04 -1.18 0.19 116.25 118.98 1pul h VAL 89 Ca -0.08 -0.21 -0.06 0.00 -1.01 0.00 0.00 66.70 65.35 1pul h VAL 89 Cb 0.57 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 1pul h VAL 89 CO 0.12 0.11 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.58 1pul h LEU 90 N 0.60 0.26 -0.08 3.16 3.38 -1.54 0.25 115.31 121.36 1pul h LEU 90 Ca 0.17 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1pul h LEU 90 Cb -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1pul h LEU 90 CO -0.04 0.44 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 1pul h ALA 91 N 1.59 0.13 -0.43 1.53 0.00 -0.90 -2.62 119.26 118.56 1pul h ALA 91 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1pul h ALA 91 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pul h ALA 91 CO 0.03 0.14 0.11 0.74 0.00 0.00 0.00 179.25 180.27 1pul h PHE 92 N -0.18 0.72 -0.40 0.00 0.04 -0.31 0.19 116.94 117.00 1pul h PHE 92 Ca -0.01 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1pul h PHE 92 Cb 0.90 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 1pul h PHE 92 CO 0.12 0.67 0.20 0.28 -0.60 0.00 0.00 178.31 178.98 1pul h VAL 93 N 0.56 1.17 -0.63 -0.55 2.07 -1.06 -1.74 116.25 116.07 1pul h VAL 93 Ca 0.14 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1pul h VAL 93 Cb 0.31 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1pul h VAL 93 CO 0.00 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.04 1pul h ALA 94 N 1.05 0.82 -0.29 1.67 0.00 -1.28 -2.47 119.26 118.76 1pul h ALA 94 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pul h ALA 94 Cb 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1pul h ALA 94 CO -0.02 0.42 0.02 1.49 0.00 0.00 0.00 179.25 181.16 1pul h GLU 95 N 0.88 0.10 0.12 0.00 4.81 -0.28 0.47 114.58 120.69 1pul h GLU 95 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1pul h GLU 95 Cb 0.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1pul h GLU 95 CO -0.02 0.07 -0.06 0.22 -0.73 0.00 0.00 179.01 178.49 1pul h ASP 96 N 0.11 -0.14 -0.73 1.04 3.58 -1.21 -0.01 116.42 119.06 1pul h ASP 96 Ca 0.14 -0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.56 1pul h ASP 96 Cb 0.18 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1pul h ASP 96 CO -0.22 -0.03 0.46 -0.09 -2.88 0.00 0.00 179.24 176.48 1pul h ARG 97 N -0.24 0.89 0.33 0.28 2.43 -1.22 -1.56 114.38 115.28 1pul h ARG 97 Ca -0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1pul h ARG 97 Cb 0.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pul h ARG 97 CO 0.03 0.59 -0.16 0.00 -1.51 0.00 0.00 179.97 178.92 1pul h ALA 98 N 1.30 -0.44 0.00 2.80 0.00 0.20 0.15 119.26 123.27 1pul h ALA 98 Ca 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pul h ALA 98 Cb -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pul h ALA 98 CO -0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 179.25 178.35 1pul h ARG 99 N -0.56 0.00 0.08 0.00 3.08 -0.89 0.96 114.38 117.05 1pul h ARG 99 Ca -0.04 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1pul h ARG 99 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 1pul h ARG 99 CO 0.07 0.12 -0.63 0.37 -1.07 0.00 0.00 179.97 178.83 1pul h GLN 100 N 0.00 0.29 0.00 0.04 4.15 -1.03 -3.40 115.11 115.17 1pul h GLN 100 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1pul h GLN 100 Cb 0.28 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1pul h GLN 100 CO 0.02 1.15 0.00 0.45 -1.93 0.00 0.00 178.83 178.52 1pul n SER 101 N -4.23 0.00 0.00 -0.69 2.88 0.49 -4.90 113.62 107.18 1pul n SER 101 Ca -0.12 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1pul n SER 101 Cb 0.72 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1pul n SER 101 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pul n LYS 102 N -1.19 0.00 0.00 -1.46 4.81 -0.06 -5.08 118.16 115.18 1pul n LYS 102 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pul n LYS 102 Cb 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 34.90 1pul n LYS 102 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1pul n LYS 103 N -1.80 0.00 -2.96 1.64 2.85 0.13 -4.83 118.16 113.19 1pul n LYS 103 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1pul n LYS 103 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1pul n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1pul s PRO 104 N 0.00 4.43 0.19 -1.58 0.05 -1.26 -3.84 135.00 132.99 1pul s PRO 104 Ca 0.00 0.99 -0.06 0.00 0.05 0.00 0.00 61.00 61.98 1pul s PRO 104 Cb 0.00 -3.48 0.11 0.00 0.05 0.00 0.00 34.50 31.18 1pul s PRO 104 CO 0.00 -0.04 1.59 -0.84 0.05 0.00 0.00 177.00 177.76 1pul h ILE 105 N 4.86 1.27 -0.22 0.56 -0.00 -1.88 -2.99 117.51 119.12 1pul h ILE 105 Ca -0.38 -1.40 0.00 0.00 -0.00 0.00 0.00 64.86 63.08 1pul h ILE 105 Cb 1.19 1.23 -0.01 0.00 -0.00 0.00 0.00 36.82 39.23 1pul h ILE 105 CO 0.77 0.47 0.14 -0.61 -0.00 0.00 0.00 178.15 178.92 1pul h GLN 106 N 0.72 0.27 -0.61 0.16 -0.00 -1.94 -0.59 115.11 113.13 1pul h GLN 106 Ca 0.09 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.80 1pul h GLN 106 Cb 0.80 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 28.15 1pul h GLN 106 CO 0.07 0.18 0.28 0.22 0.00 0.00 0.00 178.83 179.58 1pul h ASP 107 N 0.28 0.36 -0.33 -0.69 3.58 -1.95 0.58 116.42 118.25 1pul h ASP 107 Ca 0.08 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 1pul h ASP 107 Cb -0.02 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1pul h ASP 107 CO -0.02 0.22 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.40 1pul h GLU 108 N 0.51 0.64 -0.28 0.28 4.57 -1.38 -2.77 114.58 116.16 1pul h GLU 108 Ca 0.29 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1pul h GLU 108 Cb 0.28 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1pul h GLU 108 CO -0.24 0.81 -0.12 1.25 -1.18 0.00 0.00 179.01 179.53 1pul h LEU 109 N 0.42 0.45 -0.39 1.64 5.85 -0.07 -2.05 115.31 121.15 1pul h LEU 109 Ca 0.08 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1pul h LEU 109 Cb 0.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1pul h LEU 109 CO 0.03 0.60 0.25 -0.78 -0.34 0.00 0.00 178.44 178.20 1pul h ASP 110 N 0.43 0.46 -0.54 1.25 3.58 0.26 0.37 116.42 122.23 1pul h ASP 110 Ca 0.08 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1pul h ASP 110 Cb 0.47 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1pul h ASP 110 CO 0.03 0.35 0.24 0.00 -2.88 0.00 0.00 179.24 176.98 1pul h ALA 111 N 1.13 1.33 -0.42 -0.78 0.00 -1.18 -0.20 119.26 119.13 1pul h ALA 111 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1pul h ALA 111 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1pul h ALA 111 CO -0.03 0.50 -0.05 0.82 0.00 0.00 0.00 179.25 180.50 1pul h ILE 112 N 0.83 1.27 -0.36 0.00 2.04 -0.64 0.13 117.51 120.78 1pul h ILE 112 Ca 0.20 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1pul h ILE 112 Cb 0.15 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pul h ILE 112 CO -0.02 0.38 0.16 0.74 0.00 0.00 0.00 178.15 179.40 1pul h THR 113 N 0.61 1.18 -0.90 -0.27 2.02 0.23 -2.28 112.91 113.51 1pul h THR 113 Ca 0.11 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1pul h THR 113 Cb 0.55 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1pul h THR 113 CO 0.03 0.19 0.50 -0.33 0.37 0.00 0.00 175.52 176.28 1pul h GLU 114 N 0.43 1.24 -0.38 6.66 5.08 -1.00 -2.59 114.58 124.02 1pul h GLU 114 Ca 0.12 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1pul h GLU 114 Cb 0.15 -0.25 -0.09 0.00 0.50 0.00 0.00 28.75 29.07 1pul h GLU 114 CO -0.01 0.90 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.42 1pul h LYS 115 N 1.25 -0.19 -0.04 2.33 1.63 -0.38 0.17 116.57 121.33 1pul h LYS 115 Ca 0.32 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.97 1pul h LYS 115 Cb 0.02 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1pul h LYS 115 CO -0.05 -0.13 -0.69 -0.07 -3.45 0.00 0.00 179.45 175.06 1pul h LEU 116 N -0.20 0.24 -0.72 5.20 3.38 -1.40 0.15 115.31 121.96 1pul h LEU 116 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1pul h LEU 116 Cb 0.49 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1pul h LEU 116 CO -0.50 0.85 0.24 0.00 0.09 0.00 0.00 178.44 179.13 1pul h ALA 117 N 1.14 0.94 0.00 1.53 0.00 -0.68 -2.21 119.26 119.98 1pul h ALA 117 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1pul h ALA 117 Cb 1.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pul h ALA 117 CO 0.10 0.61 -0.18 0.87 0.00 0.00 0.00 179.25 180.65 1pul h LYS 118 N 1.06 0.00 -1.01 0.00 1.57 -0.55 -3.09 116.57 114.55 1pul h LYS 118 Ca 0.23 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.64 1pul h LYS 118 Cb 0.28 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.37 1pul h LYS 118 CO -0.01 0.00 0.47 1.28 -0.57 0.00 0.00 179.45 180.62 1pul n LEU 119 N -2.68 5.71 0.00 2.94 4.77 0.51 -5.07 117.00 123.17 1pul n LEU 119 Ca 0.04 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1pul n LEU 119 Cb 0.49 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1pul n LEU 119 CO 0.34 0.90 0.00 1.21 -1.33 0.00 0.00 177.39 178.51