#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 0.99 -2.66 3.10 2.14 -1.26 -4.89 117.44 114.86 1pul n TRP 19 Ca 0.00 0.44 -0.33 0.00 2.07 0.00 0.00 57.50 59.68 1pul n TRP 19 Cb 0.00 -2.16 -0.06 0.00 -0.81 0.00 0.00 31.31 28.28 1pul n TRP 19 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1pul s ASP 20 N -1.21 6.81 0.20 -0.67 2.15 -1.26 -4.29 116.67 118.40 1pul s ASP 20 Ca 0.75 1.65 -0.18 0.00 0.43 0.00 0.00 52.55 55.20 1pul s ASP 20 Cb -0.42 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 39.85 1pul s ASP 20 CO 0.47 -0.45 1.59 -0.78 -0.17 0.00 0.00 175.17 175.83 1pul h ASP 21 N 1.54 -1.02 -0.45 -0.34 3.58 -1.88 0.16 116.42 118.01 1pul h ASP 21 Ca -0.48 0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.06 1pul h ASP 21 Cb 1.18 0.54 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1pul h ASP 21 CO 0.61 -0.28 -0.26 0.00 -2.88 0.00 0.00 179.24 176.42 1pul h ALA 22 N 1.23 0.64 -0.76 -0.78 0.00 -1.95 -3.01 119.26 114.62 1pul h ALA 22 Ca 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1pul h ALA 22 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1pul h ALA 22 CO -0.71 0.66 0.30 0.22 0.00 0.00 0.00 179.25 179.72 1pul h ASP 23 N 0.81 1.04 -0.11 0.00 3.58 -1.60 -2.98 116.42 117.16 1pul h ASP 23 Ca 0.09 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.43 1pul h ASP 23 Cb 0.85 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 1pul h ASP 23 CO 0.08 0.93 -0.34 0.58 -2.88 0.00 0.00 179.24 177.60 1pul h VAL 24 N 1.11 0.25 -0.69 2.25 2.07 -0.60 0.82 116.25 121.45 1pul h VAL 24 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.72 1pul h VAL 24 Cb 0.21 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1pul h VAL 24 CO -0.02 0.00 0.22 0.50 0.02 0.00 0.00 177.57 178.29 1pul h LYS 25 N -0.43 1.08 -0.43 1.57 3.11 -1.60 -1.70 116.57 118.17 1pul h LYS 25 Ca 0.09 -0.23 -0.12 0.00 -2.81 0.00 0.00 60.65 57.57 1pul h LYS 25 Cb 0.57 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1pul h LYS 25 CO -0.35 0.93 -0.21 0.87 -2.81 0.00 0.00 179.45 177.88 1pul h LYS 26 N 1.02 0.90 -0.56 1.90 1.57 -1.31 -2.23 116.57 117.86 1pul h LYS 26 Ca 0.22 -0.39 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1pul h LYS 26 Cb 0.30 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 1pul h LYS 26 CO -0.01 1.05 0.16 -0.09 -0.57 0.00 0.00 179.45 179.99 1pul h ARG 27 N 0.73 0.30 -0.28 3.15 9.65 0.11 0.36 114.38 128.40 1pul h ARG 27 Ca 0.10 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1pul h ARG 27 Cb 0.78 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1pul h ARG 27 CO 0.06 0.20 0.12 -1.49 2.80 0.00 0.00 179.97 181.67 1pul h TRP 28 N 0.31 0.42 -0.61 2.20 4.06 -1.22 -2.65 115.95 118.45 1pul h TRP 28 Ca 0.28 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.24 1pul h TRP 28 Cb 0.37 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 1pul h TRP 28 CO -0.21 0.40 0.37 0.22 -3.56 0.00 0.00 178.44 175.66 1pul h ASP 29 N 0.32 0.59 -0.12 -3.49 3.58 -0.70 -2.12 116.42 114.47 1pul h ASP 29 Ca 0.10 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1pul h ASP 29 Cb 0.15 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1pul h ASP 29 CO -0.01 0.40 -0.02 0.00 -2.88 0.00 0.00 179.24 176.74 1pul h ALA 30 N 1.28 0.09 0.00 -0.78 0.00 -0.15 0.24 119.26 119.94 1pul h ALA 30 Ca 0.25 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1pul h ALA 30 Cb 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pul h ALA 30 CO -0.12 -0.47 -0.26 0.74 0.00 0.00 0.00 179.25 179.14 1pul h PHE 31 N 0.02 0.00 0.11 0.00 0.04 -1.30 -0.05 116.94 115.77 1pul h PHE 31 Ca 0.06 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.57 1pul h PHE 31 Cb 0.08 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.25 1pul h PHE 31 CO -0.15 0.26 -1.09 1.15 -0.60 0.00 0.00 178.31 177.88 1pul h THR 32 N 0.00 1.34 0.02 -1.55 2.02 -0.76 -3.35 112.91 110.63 1pul h THR 32 Ca -0.00 -2.42 -0.16 0.00 0.77 0.00 0.00 66.41 64.60 1pul h THR 32 Cb 0.49 2.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1pul h THR 32 CO 0.03 0.72 -0.65 0.50 0.37 0.00 0.00 175.52 176.50 1pul h LYS 33 N 0.12 0.40 0.00 6.66 3.64 -0.29 -3.47 116.57 123.63 1pul h LYS 33 Ca -0.17 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 1pul h LYS 33 Cb 1.79 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1pul h LYS 33 CO 0.21 1.13 0.00 1.19 -2.27 0.00 0.00 179.45 179.71 1pul n PHE 34 N -4.19 0.00 -3.71 1.91 3.72 -0.05 -5.02 117.46 110.12 1pul n PHE 34 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.95 1pul n PHE 34 Cb 0.70 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.16 1pul n PHE 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pul s GLY 35 N -0.23 2.93 -1.06 1.37 0.00 -1.26 -4.93 107.32 104.13 1pul s GLY 35 Ca 0.00 -3.72 -0.19 0.00 0.00 0.00 0.00 44.72 40.81 1pul s GLY 35 CO 0.00 1.15 2.05 0.00 0.00 0.00 0.00 173.10 176.30 1pul n ALA 36 N 2.50 4.23 -0.03 3.20 0.00 -1.26 -4.64 120.51 124.51 1pul n ALA 36 Ca 0.18 -3.55 -0.10 0.00 0.00 0.00 0.00 53.44 49.97 1pul n ALA 36 Cb 0.37 -3.60 0.04 0.00 0.00 0.00 0.00 19.45 16.26 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 7.12 0.68 0.00 0.00 0.00 -1.94 -2.87 119.26 122.24 1pul h ALA 37 Ca 0.48 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pul h ALA 37 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1pul h ALA 37 CO 1.93 0.67 -0.27 1.15 0.00 0.00 0.00 179.25 182.74 1pul h THR 38 N 0.54 0.58 -0.34 0.00 2.02 -1.99 -3.01 112.91 110.71 1pul h THR 38 Ca 0.03 -1.33 -0.23 0.00 0.77 0.00 0.00 66.41 65.65 1pul h THR 38 Cb 1.03 1.92 -0.09 0.00 -1.74 0.00 0.00 68.15 69.27 1pul h THR 38 CO 0.10 0.26 0.18 0.00 0.37 0.00 0.00 175.52 176.43 1pul n ALA 39 N -2.21 5.08 0.13 6.16 0.00 -1.08 -4.14 120.51 124.44 1pul n ALA 39 Ca 0.01 -1.32 0.01 0.00 0.00 0.00 0.00 53.44 52.14 1pul n ALA 39 Cb 0.50 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 1.25 1.10 -1.40 0.00 1.03 -1.65 -3.11 112.91 110.13 1pul h THR 40 Ca 0.20 -2.30 0.13 0.00 -0.01 0.00 0.00 66.41 64.43 1pul h THR 40 Cb 0.99 2.37 -0.25 0.00 -1.07 0.00 0.00 68.15 70.19 1pul h THR 40 CO 0.47 0.58 0.67 -1.83 -0.01 0.00 0.00 175.52 175.39 1pul s GLU 41 N -3.12 0.41 -0.12 0.00 -1.05 -1.26 -3.85 118.70 109.71 1pul s GLU 41 Ca 0.02 0.15 -0.04 0.00 -0.15 0.00 0.00 54.97 54.94 1pul s GLU 41 Cb 0.09 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1pul s GLU 41 CO 0.75 -0.12 0.04 1.41 0.95 0.00 0.00 175.26 178.29 1pul s MET 42 N -0.89 3.37 -0.03 -4.83 -2.45 -1.26 -5.04 119.30 108.18 1pul s MET 42 Ca 0.02 -0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 53.82 1pul s MET 42 Cb -0.01 -2.99 -0.05 0.00 1.25 0.00 0.00 34.83 33.03 1pul s MET 42 CO -0.03 0.58 1.45 0.95 1.05 0.00 0.00 175.02 179.02 1pul s THR 43 N -0.53 3.72 0.10 10.11 -4.23 -1.26 -4.94 115.64 118.62 1pul s THR 43 Ca 0.10 1.04 -0.32 0.00 -1.18 0.00 0.00 61.69 61.33 1pul s THR 43 Cb -0.12 -3.67 -0.13 0.00 1.34 0.00 0.00 72.50 69.93 1pul s THR 43 CO 0.02 -0.03 1.60 1.23 -0.54 0.00 0.00 174.62 176.90 1pul h GLY 44 N 8.90 -0.88 1.05 3.99 0.00 -1.98 -0.54 103.07 113.61 1pul h GLY 44 Ca -0.37 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1pul h GLY 44 CO 0.92 -0.30 0.49 1.70 0.00 0.00 0.00 176.54 179.35 1pul h LYS 45 N -0.74 1.24 -0.17 4.80 3.11 -1.99 0.30 116.57 123.12 1pul h LYS 45 Ca -0.01 -0.14 -0.10 0.00 -2.81 0.00 0.00 60.65 57.58 1pul h LYS 45 Cb 0.70 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1pul h LYS 45 CO -0.12 0.90 -0.35 -0.91 -2.81 0.00 0.00 179.45 176.16 1pul h ASN 46 N 1.25 0.37 0.04 4.20 2.35 -1.94 -2.44 115.58 119.41 1pul h ASN 46 Ca 0.31 -0.14 -0.17 0.00 -0.55 0.00 0.00 56.30 55.75 1pul h ASN 46 Cb 0.02 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1pul h ASN 46 CO -0.05 0.70 -0.61 0.15 -1.65 0.00 0.00 177.43 175.97 1pul h PHE 47 N 0.31 0.72 -0.91 1.19 3.57 0.58 -0.26 116.94 122.15 1pul h PHE 47 Ca 0.04 -0.27 0.09 0.00 3.53 0.00 0.00 57.97 61.36 1pul h PHE 47 Cb 0.77 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1pul h PHE 47 CO 0.02 1.03 0.55 -0.44 -2.23 0.00 0.00 178.31 177.24 1pul h ASP 48 N 0.42 0.82 -0.00 0.41 5.19 -0.17 0.31 116.42 123.40 1pul h ASP 48 Ca -0.01 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 1pul h ASP 48 Cb 1.17 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.56 1pul h ASP 48 CO 0.11 0.47 -0.48 0.50 -3.12 0.00 0.00 179.24 176.73 1pul h LYS 49 N 0.93 0.33 -0.94 3.56 3.64 -1.16 0.28 116.57 123.21 1pul h LYS 49 Ca 0.43 -0.35 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1pul h LYS 49 Cb 0.35 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1pul h LYS 49 CO -0.23 1.04 0.60 2.35 -2.27 0.00 0.00 179.45 180.94 1pul h TRP 50 N -0.24 1.02 -0.01 1.91 2.91 -0.79 0.45 115.95 121.20 1pul h TRP 50 Ca -0.06 0.03 -0.23 0.00 1.13 0.00 0.00 58.89 59.76 1pul h TRP 50 Cb 1.20 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1pul h TRP 50 CO 0.16 0.43 -0.94 -0.07 -1.03 0.00 0.00 178.44 176.99 1pul h LEU 51 N 0.91 0.57 -0.17 0.65 -0.00 -0.28 -2.51 115.31 114.48 1pul h LEU 51 Ca 0.45 -0.45 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1pul h LEU 51 Cb 0.48 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1pul h LEU 51 CO -0.22 1.25 -0.52 0.50 -0.00 0.00 0.00 178.44 179.45 1pul h LYS 52 N 0.25 0.66 -0.30 1.13 3.64 -0.18 0.51 116.57 122.28 1pul h LYS 52 Ca -0.08 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1pul h LYS 52 Cb 1.57 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1pul h LYS 52 CO 0.16 1.10 0.03 0.22 -2.27 0.00 0.00 179.45 178.69 1pul h ASP 53 N 0.34 0.50 -0.09 4.20 1.82 -0.19 -1.70 116.42 121.30 1pul h ASP 53 Ca -0.02 -0.28 0.03 0.00 -0.39 0.00 0.00 57.03 56.37 1pul h ASP 53 Cb 1.14 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.02 1pul h ASP 53 CO 0.11 0.65 0.07 0.00 -1.61 0.00 0.00 179.24 178.46 1pul h ALA 54 N 0.87 2.00 0.00 -0.78 0.00 -1.50 -3.46 119.26 116.38 1pul h ALA 54 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pul h ALA 54 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pul h ALA 54 CO 0.01 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1pul n GLY 55 N -1.52 0.88 0.12 0.00 0.00 -0.64 -4.93 105.19 99.10 1pul n GLY 55 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.20 1.61 -2.81 1.61 0.31 0.01 -4.73 118.33 112.13 1pul n VAL 56 Ca 0.00 -0.70 -0.43 0.00 -0.01 0.00 0.00 64.34 63.21 1pul n VAL 56 Cb 0.00 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 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 -6.45 4.29 -0.10 7.52 2.96 -0.25 -4.86 118.68 121.78 1pul s LEU 57 Ca -0.20 -1.18 -0.13 0.00 -0.22 0.00 0.00 54.13 52.41 1pul s LEU 57 Cb 0.07 -2.45 -0.11 0.00 0.50 0.00 0.00 46.19 44.21 1pul s LEU 57 CO 0.74 -1.42 0.39 -0.78 -1.32 0.00 0.00 176.35 173.96 1pul h ASP 58 N 9.50 -0.04 0.00 3.68 3.58 -1.88 -3.39 116.42 127.86 1pul h ASP 58 Ca -0.15 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1pul h ASP 58 Cb 1.05 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1pul h ASP 58 CO 1.20 0.62 0.00 0.59 -2.88 0.00 0.00 179.24 178.77 1pul n ASN 59 N -4.76 -4.84 -0.12 2.28 4.13 -1.25 -4.74 115.26 105.96 1pul n ASN 59 Ca -0.05 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.98 1pul n ASN 59 Cb 0.20 -2.74 -0.08 0.00 -1.54 0.00 0.00 39.78 35.62 1pul n ASN 59 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pul n LYS 60 N -0.10 0.49 0.01 3.52 5.02 -1.26 -4.48 118.16 121.36 1pul n LYS 60 Ca 0.00 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 1pul n LYS 60 Cb 0.35 -1.33 0.09 0.00 -0.02 0.00 0.00 35.03 34.13 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pul n ALA 61 N -3.95 3.77 -2.88 7.82 0.00 -1.26 -4.81 120.51 119.19 1pul n ALA 61 Ca -0.45 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.20 1pul n ALA 61 Cb 0.83 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.17 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 -3.06 4.68 0.49 0.00 1.01 -1.26 -5.09 121.20 117.96 1pul s ILE 62 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1pul s ILE 62 Cb 0.16 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.45 1pul s ILE 62 CO 0.77 0.32 0.16 0.35 0.00 0.00 0.00 174.94 176.54 1pul n THR 63 N 4.83 0.00 -0.15 2.92 -2.24 -1.26 -3.82 114.28 114.56 1pul n THR 63 Ca -0.15 -2.15 0.28 0.00 -2.27 0.00 0.00 64.05 59.75 1pul n THR 63 Cb 0.52 0.23 0.72 0.00 -2.10 0.00 0.00 70.33 69.70 1pul n THR 63 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pul h GLY 64 N 0.91 0.00 1.65 3.38 0.00 -1.98 -0.04 103.07 106.99 1pul h GLY 64 Ca -0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1pul h GLY 64 CO 0.59 0.00 -0.52 0.00 0.00 0.00 0.00 176.54 176.61 1pul h THR 65 N 0.00 1.34 0.18 4.70 1.03 -1.97 0.31 112.91 118.50 1pul h THR 65 Ca 0.40 -1.78 -0.01 0.00 -0.01 0.00 0.00 66.41 65.01 1pul h THR 65 Cb 1.63 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 70.52 1pul h THR 65 CO -0.00 0.54 -0.09 0.24 -0.01 0.00 0.00 175.52 176.20 1pul h MET 66 N 0.29 -0.23 -0.59 0.00 2.07 -1.40 -2.92 114.93 112.15 1pul h MET 66 Ca 0.01 0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.61 1pul h MET 66 Cb 1.01 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.77 1pul h MET 66 CO 0.09 0.05 0.19 0.00 1.07 0.00 0.00 176.91 178.31 1pul h THR 67 N -1.00 1.23 -0.24 2.22 1.03 -1.54 -2.01 112.91 112.60 1pul h THR 67 Ca -0.02 -0.77 -0.02 0.00 -0.01 0.00 0.00 66.41 65.58 1pul h THR 67 Cb 0.39 0.58 -0.01 0.00 -1.07 0.00 0.00 68.15 68.03 1pul h THR 67 CO 0.04 0.30 0.06 1.23 -0.01 0.00 0.00 175.52 177.14 1pul h GLY 68 N 0.99 0.41 0.97 2.99 0.00 -0.50 0.37 103.07 108.30 1pul h GLY 68 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1pul h GLY 68 CO -0.01 0.23 0.24 -2.22 0.00 0.00 0.00 176.54 174.78 1pul h ILE 69 N 0.21 1.20 -0.09 2.60 2.04 -1.36 -0.33 117.51 121.78 1pul h ILE 69 Ca 0.08 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1pul h ILE 69 Cb 0.26 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1pul h ILE 69 CO -0.00 0.22 -0.06 0.00 0.00 0.00 0.00 178.15 178.31 1pul h ALA 70 N 1.08 0.01 -0.65 1.87 0.00 -1.21 -2.19 119.26 118.17 1pul h ALA 70 Ca 0.17 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1pul h ALA 70 Cb 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1pul h ALA 70 CO -0.02 -0.53 0.41 0.35 0.00 0.00 0.00 179.25 179.46 1pul h PHE 71 N -0.07 0.77 -0.15 0.00 3.57 -0.70 -0.89 116.94 119.48 1pul h PHE 71 Ca 0.06 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1pul h PHE 71 Cb 0.15 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1pul h PHE 71 CO -0.18 0.45 0.10 0.77 -2.23 0.00 0.00 178.31 177.23 1pul h SER 72 N 0.82 0.10 0.26 0.41 0.02 -0.66 -1.07 113.55 113.42 1pul h SER 72 Ca 0.26 -0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.86 1pul h SER 72 Cb -0.01 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.52 1pul h SER 72 CO -0.09 0.07 -1.62 0.11 -1.14 0.00 0.00 176.83 174.16 1pul h LYS 73 N 0.11 0.43 0.00 3.45 6.56 -0.73 -3.21 116.57 123.19 1pul h LYS 73 Ca 0.06 -0.74 -0.07 0.00 -1.06 0.00 0.00 60.65 58.85 1pul h LYS 73 Cb 0.12 0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1pul h LYS 73 CO -0.01 1.34 -0.31 -0.39 -2.06 0.00 0.00 179.45 178.02 1pul h VAL 74 N 0.12 0.69 0.00 0.50 -1.51 -0.72 -3.44 116.25 111.89 1pul h VAL 74 Ca -0.30 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.75 1pul h VAL 74 Cb 2.12 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 1pul h VAL 74 CO 0.21 0.31 0.00 0.35 -1.23 0.00 0.00 177.57 177.21 1pul n THR 75 N -3.40 0.00 0.00 7.19 -2.24 -0.45 -3.83 114.28 111.55 1pul n THR 75 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pul n THR 75 Cb 0.51 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 2.50 1.03 2.58 3.38 0.00 -1.21 -4.52 105.19 108.95 1pul n GLY 76 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.80 0.27 1.61 -0.02 -1.26 -4.90 135.00 129.90 1pul n PRO 77 Ca 0.00 -1.40 0.16 0.00 -2.02 0.00 0.00 63.50 60.23 1pul n PRO 77 Cb 0.00 -0.88 0.70 0.00 -0.02 0.00 0.00 33.50 33.30 1pul n PRO 77 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pul h LYS 78 N 0.00 0.00 -0.80 -0.52 1.63 -2.05 -1.29 116.57 113.54 1pul h LYS 78 Ca -0.28 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 1pul h LYS 78 Cb 0.79 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.37 1pul h LYS 78 CO 0.20 0.07 0.52 -0.22 -3.45 0.00 0.00 179.45 176.57 1pul h LYS 79 N 0.00 0.76 0.00 1.90 3.64 -1.94 -3.47 116.57 117.45 1pul h LYS 79 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pul h LYS 79 Cb 0.49 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1pul h LYS 79 CO 0.01 0.50 0.00 1.63 -2.27 0.00 0.00 179.45 179.32 1pul n LYS 80 N -4.50 0.00 0.00 1.90 5.02 -0.49 -4.86 118.16 115.23 1pul n LYS 80 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1pul n LYS 80 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1pul n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pul n ALA 81 N 4.10 0.44 0.00 7.82 0.00 -1.25 -4.87 120.51 126.75 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 -0.11 0.00 5.66 -1.25 -4.75 114.28 113.83 1pul n THR 82 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1pul n THR 82 Cb 0.00 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.21 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 0.57 -0.29 1.09 3.57 -1.87 -1.76 116.94 118.26 1pul h PHE 83 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1pul h PHE 83 Cb 0.00 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1pul h PHE 83 CO 0.00 0.30 -0.05 0.22 -2.23 0.00 0.00 178.31 176.54 1pul h ASP 84 N 0.56 -0.23 -0.69 0.41 3.58 -1.91 -1.73 116.42 116.41 1pul h ASP 84 Ca 0.27 0.08 0.12 0.00 0.42 0.00 0.00 57.03 57.92 1pul h ASP 84 Cb 0.34 0.16 -0.13 0.00 1.72 0.00 0.00 39.33 41.43 1pul h ASP 84 CO -0.08 -0.08 -0.33 -0.08 -2.88 0.00 0.00 179.24 175.79 1pul h GLU 85 N 0.02 -0.11 0.21 0.28 4.81 -1.50 0.25 114.58 118.54 1pul h GLU 85 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1pul h GLU 85 Cb 0.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1pul h GLU 85 CO -0.28 -0.07 -0.10 1.15 -0.73 0.00 0.00 179.01 178.97 1pul h THR 86 N -0.11 0.81 0.00 0.32 2.02 -1.27 -2.07 112.91 112.61 1pul h THR 86 Ca 0.27 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1pul h THR 86 Cb 0.56 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1pul h THR 86 CO -0.75 0.03 -0.39 0.07 0.37 0.00 0.00 175.52 174.85 1pul h LYS 87 N -0.34 0.00 -0.25 6.66 2.10 -0.80 -2.62 116.57 121.32 1pul h LYS 87 Ca -0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1pul h LYS 87 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 1pul h LYS 87 CO 0.05 0.39 0.04 0.87 -2.00 0.00 0.00 179.45 178.80 1pul h LYS 88 N 0.00 0.41 -0.04 0.07 1.79 -0.32 -2.54 116.57 115.94 1pul h LYS 88 Ca -0.00 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1pul h LYS 88 Cb 0.70 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1pul h LYS 88 CO 0.05 0.54 -0.06 0.28 -1.08 0.00 0.00 179.45 179.18 1pul h VAL 89 N 0.22 0.84 -0.72 0.50 2.07 -1.02 -0.51 116.25 117.64 1pul h VAL 89 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1pul h VAL 89 Cb 0.32 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1pul h VAL 89 CO 0.00 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 178.00 1pul h LEU 90 N -0.08 0.69 -0.39 2.57 3.38 -1.51 -0.17 115.31 119.80 1pul h LEU 90 Ca 0.04 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1pul h LEU 90 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pul h LEU 90 CO -0.09 0.46 -0.38 0.00 0.09 0.00 0.00 178.44 178.52 1pul h ALA 91 N 1.60 0.56 -0.05 1.53 0.00 -0.94 -2.70 119.26 119.27 1pul h ALA 91 Ca 0.30 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 1pul h ALA 91 Cb 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pul h ALA 91 CO -0.10 0.67 -0.91 0.74 0.00 0.00 0.00 179.25 179.65 1pul h PHE 92 N 0.76 1.00 -0.39 0.00 0.04 -0.26 0.37 116.94 118.46 1pul h PHE 92 Ca 0.06 -0.51 -0.04 0.00 2.80 0.00 0.00 57.97 60.28 1pul h PHE 92 Cb 0.97 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1pul h PHE 92 CO 0.06 1.35 0.10 -0.39 -0.60 0.00 0.00 178.31 178.83 1pul h VAL 93 N 0.37 1.22 -0.61 -0.55 -1.51 -1.14 -1.45 116.25 112.58 1pul h VAL 93 Ca -0.10 -0.75 -0.08 0.00 -1.23 0.00 0.00 66.70 64.53 1pul h VAL 93 Cb 1.56 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.67 1pul h VAL 93 CO 0.18 0.26 0.06 0.00 -1.23 0.00 0.00 177.57 176.84 1pul h ALA 94 N 0.95 0.82 -0.02 5.19 0.00 -1.52 -2.43 119.26 122.25 1pul h ALA 94 Ca 0.12 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pul h ALA 94 Cb 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1pul h ALA 94 CO -0.00 0.61 -0.48 1.49 0.00 0.00 0.00 179.25 180.87 1pul h GLU 95 N 0.95 -0.57 -0.88 0.00 4.22 -0.62 0.60 114.58 118.28 1pul h GLU 95 Ca 0.18 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.71 1pul h GLU 95 Cb 0.48 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1pul h GLU 95 CO 0.02 -0.38 0.56 0.22 -2.18 0.00 0.00 179.01 177.25 1pul h ASP 96 N -0.59 0.91 0.03 1.04 3.58 -1.25 0.36 116.42 120.50 1pul h ASP 96 Ca 0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1pul h ASP 96 Cb 0.64 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1pul h ASP 96 CO -0.33 0.61 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.53 1pul h ARG 97 N 1.06 -0.03 -0.21 0.28 9.65 -1.08 -2.22 114.38 121.83 1pul h ARG 97 Ca 0.37 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 59.11 1pul h ARG 97 Cb 0.08 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1pul h ARG 97 CO -0.14 0.28 -0.43 0.00 2.80 0.00 0.00 179.97 182.47 1pul h ALA 98 N 0.61 0.85 -0.89 2.80 0.00 -0.68 -1.49 119.26 120.47 1pul h ALA 98 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1pul h ALA 98 Cb 0.33 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1pul h ALA 98 CO 0.01 0.65 0.59 -0.09 0.00 0.00 0.00 179.25 180.40 1pul h ARG 99 N 0.42 1.17 0.00 0.00 2.43 -0.19 0.58 114.38 118.79 1pul h ARG 99 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1pul h ARG 99 Cb 0.93 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1pul h ARG 99 CO 0.08 0.77 -0.70 1.96 -1.51 0.00 0.00 179.97 180.57 1pul h GLN 100 N 1.20 0.00 0.00 0.20 4.20 -1.30 -3.37 115.11 116.04 1pul h GLN 100 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1pul h GLN 100 Cb -0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1pul h GLN 100 CO -0.07 0.04 0.00 0.45 -0.67 0.00 0.00 178.83 178.58 1pul n SER 101 N -2.85 0.00 0.00 1.46 2.88 -0.57 -4.92 113.62 109.62 1pul n SER 101 Ca 0.01 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1pul n SER 101 Cb 0.57 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1pul n SER 101 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1pul n LYS 102 N -1.11 0.00 0.00 -1.46 4.01 0.11 -5.07 118.16 114.63 1pul n LYS 102 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pul n LYS 102 Cb 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 35.03 34.33 1pul n LYS 102 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1pul n LYS 103 N -1.88 0.00 -2.34 1.97 5.02 -0.70 -4.91 118.16 115.32 1pul n LYS 103 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1pul n LYS 103 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 4.45 0.11 1.97 0.04 -1.26 -4.08 135.00 136.22 1pul s PRO 104 Ca 0.00 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.84 1pul s PRO 104 Cb 0.00 -3.26 -0.15 0.00 0.04 0.00 0.00 34.50 31.14 1pul s PRO 104 CO 0.00 -0.18 1.27 -0.84 0.04 0.00 0.00 177.00 177.29 1pul h ILE 105 N 3.96 1.32 -0.62 0.56 3.07 -1.87 -3.17 117.51 120.76 1pul h ILE 105 Ca -0.44 -2.23 0.18 0.00 1.55 0.00 0.00 64.86 63.92 1pul h ILE 105 Cb 1.21 2.28 -0.02 0.00 -0.27 0.00 0.00 36.82 40.02 1pul h ILE 105 CO 0.78 0.69 0.53 -0.61 -1.05 0.00 0.00 178.15 178.48 1pul h GLN 106 N 0.37 0.00 0.58 0.16 5.75 -1.93 -0.54 115.11 119.50 1pul h GLN 106 Ca -0.09 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1pul h GLN 106 Cb 1.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.12 1pul h GLN 106 CO 0.18 0.00 -0.30 0.22 -2.65 0.00 0.00 178.83 176.27 1pul h ASP 107 N 0.00 -0.74 0.13 -0.69 3.58 -1.96 -2.45 116.42 114.29 1pul h ASP 107 Ca 0.30 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.70 1pul h ASP 107 Cb 1.36 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 1pul h ASP 107 CO -0.00 -0.50 -0.26 -0.08 -2.88 0.00 0.00 179.24 175.52 1pul h GLU 108 N -0.82 0.22 -0.21 0.28 4.57 -1.29 -2.51 114.58 114.83 1pul h GLU 108 Ca -0.08 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1pul h GLU 108 Cb 0.64 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1pul h GLU 108 CO 0.11 0.48 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.22 1pul h LEU 109 N 0.20 -0.40 -1.27 1.64 -0.00 -1.19 0.71 115.31 115.00 1pul h LEU 109 Ca 0.03 0.09 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1pul h LEU 109 Cb 0.57 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1pul h LEU 109 CO 0.04 -0.16 -0.31 -0.78 -0.00 0.00 0.00 178.44 177.23 1pul h ASP 110 N -0.11 0.00 -0.22 -0.43 3.58 -1.03 0.39 116.42 118.60 1pul h ASP 110 Ca 0.12 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1pul h ASP 110 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1pul h ASP 110 CO -0.28 0.31 -0.20 0.00 -2.88 0.00 0.00 179.24 176.19 1pul h ALA 111 N 1.69 0.33 -0.00 -0.78 0.00 -0.99 -1.53 119.26 117.98 1pul h ALA 111 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pul h ALA 111 Cb 0.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pul h ALA 111 CO 0.04 0.26 0.00 0.82 0.00 0.00 0.00 179.25 180.37 1pul h ILE 112 N 0.22 1.19 -0.78 0.00 2.04 -0.23 -2.51 117.51 117.45 1pul h ILE 112 Ca 0.04 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1pul h ILE 112 Cb 0.74 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1pul h ILE 112 CO 0.05 0.15 0.50 0.71 0.00 0.00 0.00 178.15 179.56 1pul h THR 113 N -0.23 1.13 -0.32 -0.27 1.35 -0.29 -2.38 112.91 111.91 1pul h THR 113 Ca 0.00 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.48 1pul h THR 113 Cb 0.24 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 1pul h THR 113 CO 0.00 0.18 0.05 -0.08 -0.25 0.00 0.00 175.52 175.42 1pul h GLU 114 N 0.99 0.53 -0.36 4.72 4.81 -1.29 -2.73 114.58 121.24 1pul h GLU 114 Ca 0.31 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1pul h GLU 114 Cb -0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1pul h GLU 114 CO -0.10 0.62 0.19 -0.22 -0.73 0.00 0.00 179.01 178.77 1pul h LYS 115 N 0.35 0.38 -0.03 1.92 3.64 -0.97 -1.63 116.57 120.23 1pul h LYS 115 Ca 0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1pul h LYS 115 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1pul h LYS 115 CO 0.01 0.25 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.35 1pul h LEU 116 N 0.39 -0.07 -1.14 5.20 3.38 -1.44 0.12 115.31 121.75 1pul h LEU 116 Ca 0.15 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1pul h LEU 116 Cb 0.04 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1pul h LEU 116 CO -0.09 -0.03 0.59 0.00 0.09 0.00 0.00 178.44 179.00 1pul h ALA 117 N 1.00 1.52 0.00 1.53 0.00 -1.13 -1.36 119.26 120.82 1pul h ALA 117 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pul h ALA 117 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pul h ALA 117 CO -0.04 0.35 -0.65 0.36 0.00 0.00 0.00 179.25 179.26 1pul n LYS 118 N -4.49 0.16 0.00 0.00 2.85 -0.66 -4.37 118.16 111.66 1pul n LYS 118 Ca 0.14 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1pul n LYS 118 Cb 0.20 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.00 1pul n LYS 118 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pul n LEU 119 N -1.81 0.72 0.00 -5.58 7.94 0.39 -5.08 117.00 113.57 1pul n LEU 119 Ca 0.04 -0.36 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1pul n LEU 119 Cb 0.39 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1pul n LEU 119 CO 0.37 0.18 0.00 -0.62 -1.11 0.00 0.00 177.39 176.21