#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 1.68 -2.59 1.20 2.14 -1.26 -4.94 117.44 113.66 1pul n TRP 19 Ca 0.00 0.64 -0.29 0.00 2.07 0.00 0.00 57.50 59.92 1pul n TRP 19 Cb 0.00 -2.32 -0.01 0.00 -0.81 0.00 0.00 31.31 28.17 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 -0.46 6.38 0.23 -0.67 -1.08 -1.26 -4.88 116.67 114.92 1pul s ASP 20 Ca 0.57 1.12 -0.06 0.00 -0.52 0.00 0.00 52.55 53.66 1pul s ASP 20 Cb -0.64 -2.32 0.40 0.00 -1.46 0.00 0.00 42.92 38.89 1pul s ASP 20 CO 0.61 -0.56 1.74 -0.78 0.52 0.00 0.00 175.17 176.70 1pul h ASP 21 N 0.57 0.27 0.22 -0.34 1.82 -1.95 -1.45 116.42 115.56 1pul h ASP 21 Ca -0.47 0.10 -0.35 0.00 -0.39 0.00 0.00 57.03 55.92 1pul h ASP 21 Cb 1.19 0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.29 1pul h ASP 21 CO 0.62 0.12 -1.73 0.00 -1.61 0.00 0.00 179.24 176.65 1pul h ALA 22 N 1.51 0.16 -0.47 -0.78 0.00 -2.01 -3.38 119.26 114.29 1pul h ALA 22 Ca 0.38 -1.14 0.09 0.00 0.00 0.00 0.00 54.91 54.25 1pul h ALA 22 Cb 0.54 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1pul h ALA 22 CO -0.37 1.03 -0.12 0.22 0.00 0.00 0.00 179.25 180.01 1pul h ASP 23 N 0.10 -0.45 -0.41 0.00 3.58 -1.83 -1.03 116.42 116.38 1pul h ASP 23 Ca -0.33 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.31 1pul h ASP 23 Cb 2.09 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 43.42 1pul h ASP 23 CO 0.18 -0.16 0.27 -0.37 -2.88 0.00 0.00 179.24 176.28 1pul h VAL 24 N -0.01 0.98 -0.11 2.25 -1.51 -1.45 0.60 116.25 117.00 1pul h VAL 24 Ca 0.22 -0.12 -0.22 0.00 -1.23 0.00 0.00 66.70 65.35 1pul h VAL 24 Cb 0.35 0.60 0.01 0.00 -2.13 0.00 0.00 31.29 30.12 1pul h VAL 24 CO -0.49 0.06 -0.82 0.50 -1.23 0.00 0.00 177.57 175.60 1pul h LYS 25 N 0.35 0.68 0.12 5.19 1.63 -1.40 -2.93 116.57 120.21 1pul h LYS 25 Ca 0.17 -0.59 -0.29 0.00 -0.85 0.00 0.00 60.65 59.09 1pul h LYS 25 Cb 0.25 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1pul h LYS 25 CO -0.04 1.20 -1.52 -0.22 -3.45 0.00 0.00 179.45 175.42 1pul h LYS 26 N 0.45 0.25 0.08 1.90 3.64 -0.33 -3.29 116.57 119.27 1pul h LYS 26 Ca -0.06 -0.43 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 1pul h LYS 26 Cb 1.44 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1pul h LYS 26 CO 0.16 1.20 -0.55 -0.09 -2.27 0.00 0.00 179.45 177.91 1pul h ARG 27 N -0.25 0.23 -0.10 1.90 2.43 -0.01 -2.51 114.38 116.07 1pul h ARG 27 Ca -0.33 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 58.43 1pul h ARG 27 Cb 1.81 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.47 1pul h ARG 27 CO 0.06 1.14 -0.23 2.35 -1.51 0.00 0.00 179.97 181.78 1pul h TRP 28 N -0.51 0.18 -0.25 2.20 7.01 -1.64 -1.38 115.95 121.57 1pul h TRP 28 Ca -0.09 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.79 1pul h TRP 28 Cb 1.40 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.41 1pul h TRP 28 CO 0.21 0.40 -0.20 0.22 -2.79 0.00 0.00 178.44 176.27 1pul h ASP 29 N 0.16 0.60 -0.77 2.65 3.58 -1.65 -3.18 116.42 117.81 1pul h ASP 29 Ca 0.03 -0.46 0.11 0.00 0.42 0.00 0.00 57.03 57.13 1pul h ASP 29 Cb 0.50 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 1pul h ASP 29 CO 0.03 0.93 0.40 0.00 -2.88 0.00 0.00 179.24 177.73 1pul h ALA 30 N 0.69 1.10 -0.87 -0.78 0.00 -0.83 -0.03 119.26 118.54 1pul h ALA 30 Ca 0.04 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1pul h ALA 30 Cb 0.75 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1pul h ALA 30 CO 0.05 -0.02 0.57 0.74 0.00 0.00 0.00 179.25 180.60 1pul h PHE 31 N 0.65 0.59 0.17 0.00 0.04 -1.04 0.47 116.94 117.82 1pul h PHE 31 Ca 0.39 0.02 -0.30 0.00 2.80 0.00 0.00 57.97 60.88 1pul h PHE 31 Cb 0.43 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1pul h PHE 31 CO -0.09 0.18 -1.47 1.15 -0.60 0.00 0.00 178.31 177.48 1pul h THR 32 N 0.46 1.10 0.00 -1.55 2.02 -1.13 -3.39 112.91 110.42 1pul h THR 32 Ca 0.45 -2.50 -0.04 0.00 0.77 0.00 0.00 66.41 65.09 1pul h THR 32 Cb 1.02 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 1pul h THR 32 CO -0.18 0.78 -0.36 0.50 0.37 0.00 0.00 175.52 176.63 1pul h LYS 33 N -0.10 0.00 0.00 6.66 3.11 -0.64 -3.47 116.57 122.13 1pul h LYS 33 Ca -0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1pul h LYS 33 Cb 1.93 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.16 1pul h LYS 33 CO 0.15 0.35 0.00 0.34 -2.81 0.00 0.00 179.45 177.48 1pul n PHE 34 N -4.64 0.00 0.00 1.91 7.35 0.13 -5.07 117.46 117.14 1pul n PHE 34 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1pul n PHE 34 Cb 0.28 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1pul n PHE 34 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pul n GLY 35 N 3.07 -0.76 0.00 7.13 0.00 0.68 -4.90 105.19 110.41 1pul n GLY 35 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 4.61 0.00 -1.26 -2.62 120.51 121.24 1pul n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pul n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pul n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul n ALA 37 N -0.15 2.29 1.27 0.00 0.00 -1.26 -4.73 120.51 117.93 1pul n ALA 37 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1pul n ALA 37 Cb 0.00 0.26 0.70 0.00 0.00 0.00 0.00 19.45 20.41 1pul n ALA 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pul n THR 38 N -2.24 0.05 -4.06 0.00 -1.04 -1.26 -4.70 114.28 101.03 1pul n THR 38 Ca 0.00 0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 1pul n THR 38 Cb 0.26 -0.53 -0.15 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.68 0.38 0.00 2.41 0.00 -1.26 -5.00 121.76 115.61 1pul s ALA 39 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1pul s ALA 39 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1pul s ALA 39 CO 0.46 0.03 0.00 2.41 0.00 0.00 0.00 175.76 178.66 1pul n THR 40 N 3.42 0.00 -3.98 0.00 -1.04 -1.26 -4.47 114.28 106.95 1pul n THR 40 Ca -0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.48 1pul n THR 40 Cb 0.55 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.92 1pul n THR 40 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pul s GLU 41 N -1.00 3.24 0.04 -2.82 2.02 -1.26 -4.65 118.70 114.26 1pul s GLU 41 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1pul s GLU 41 Cb 0.00 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1pul s GLU 41 CO 0.00 -0.21 0.11 -1.64 0.02 0.00 0.00 175.26 173.54 1pul s MET 42 N 1.41 3.08 0.02 1.61 -1.94 -1.23 -5.06 119.30 117.19 1pul s MET 42 Ca 0.05 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.54 1pul s MET 42 Cb -0.14 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1pul s MET 42 CO -0.06 0.61 -0.15 0.95 -0.01 0.00 0.00 175.02 176.36 1pul s THR 43 N -1.32 1.17 0.25 2.05 -4.23 -1.26 -4.35 115.64 107.95 1pul s THR 43 Ca 0.27 -0.89 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1pul s THR 43 Cb -0.12 -1.03 0.24 0.00 1.34 0.00 0.00 72.50 72.93 1pul s THR 43 CO 0.19 0.13 1.89 1.23 -0.54 0.00 0.00 174.62 177.51 1pul h GLY 44 N 5.20 1.38 0.93 3.99 0.00 -1.99 0.55 103.07 113.14 1pul h GLY 44 Ca -0.37 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 1pul h GLY 44 CO 0.45 0.37 -0.07 1.70 0.00 0.00 0.00 176.54 178.99 1pul h LYS 45 N 1.15 -0.17 -0.20 4.80 3.64 -1.98 0.19 116.57 124.00 1pul h LYS 45 Ca 0.38 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1pul h LYS 45 Cb 0.05 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1pul h LYS 45 CO -0.13 -0.11 0.03 -0.97 -2.27 0.00 0.00 179.45 175.99 1pul h ASN 46 N -0.18 0.33 -0.75 4.20 -0.73 -1.90 -2.39 115.58 114.15 1pul h ASN 46 Ca -0.00 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 57.84 1pul h ASN 46 Cb 0.16 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1pul h ASN 46 CO -0.00 0.51 0.25 0.15 -0.37 0.00 0.00 177.43 177.97 1pul h PHE 47 N 0.13 1.20 0.00 0.67 3.57 -0.81 0.41 116.94 122.09 1pul h PHE 47 Ca 0.06 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1pul h PHE 47 Cb 0.33 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1pul h PHE 47 CO 0.02 0.93 -0.06 0.22 -2.23 0.00 0.00 178.31 177.20 1pul h ASP 48 N 1.11 0.00 0.04 0.41 3.58 -0.53 0.65 116.42 121.68 1pul h ASP 48 Ca 0.25 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.54 1pul h ASP 48 Cb 0.29 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1pul h ASP 48 CO -0.01 0.06 -0.83 0.50 -2.88 0.00 0.00 179.24 176.08 1pul h LYS 49 N 0.00 0.08 -0.73 0.28 3.64 -0.75 -2.18 116.57 116.91 1pul h LYS 49 Ca -0.00 -0.14 0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1pul h LYS 49 Cb 0.11 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 1pul h LYS 49 CO 0.01 1.07 0.26 2.35 -2.27 0.00 0.00 179.45 180.86 1pul h TRP 50 N -0.78 0.43 0.07 1.91 2.91 -0.05 -1.36 115.95 119.08 1pul h TRP 50 Ca -0.20 0.04 -0.30 0.00 1.13 0.00 0.00 58.89 59.56 1pul h TRP 50 Cb 1.34 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 1pul h TRP 50 CO 0.17 0.02 -1.57 1.25 -1.03 0.00 0.00 178.44 177.28 1pul h LEU 51 N 0.39 0.24 -0.29 0.65 5.85 -0.99 -2.86 115.31 118.29 1pul h LEU 51 Ca 0.41 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1pul h LEU 51 Cb 0.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1pul h LEU 51 CO -0.43 1.33 0.12 0.50 -0.34 0.00 0.00 178.44 179.62 1pul h LYS 52 N 0.04 0.44 -0.23 1.25 1.63 -1.20 -1.46 116.57 117.05 1pul h LYS 52 Ca -0.25 -0.08 -0.15 0.00 -0.85 0.00 0.00 60.65 59.32 1pul h LYS 52 Cb 1.99 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.54 1pul h LYS 52 CO 0.13 0.45 -0.47 0.22 -3.45 0.00 0.00 179.45 176.34 1pul h ASP 53 N 0.33 0.64 0.42 4.20 3.58 -1.36 -2.60 116.42 121.63 1pul h ASP 53 Ca 0.10 -0.31 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 1pul h ASP 53 Cb 0.18 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1pul h ASP 53 CO -0.01 1.01 -0.37 0.00 -2.88 0.00 0.00 179.24 176.99 1pul h ALA 54 N 1.01 1.33 -0.94 -0.78 0.00 -1.45 -3.47 119.26 114.96 1pul h ALA 54 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pul h ALA 54 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1pul h ALA 54 CO 0.09 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1pul n GLY 55 N -0.39 0.80 0.00 0.00 0.00 -0.61 -4.98 105.19 100.00 1pul n GLY 55 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.40 0.00 -0.03 1.61 0.31 -0.80 -4.80 118.33 113.21 1pul n VAL 56 Ca 0.00 -0.34 -0.17 0.00 -0.01 0.00 0.00 64.34 63.82 1pul n VAL 56 Cb 0.35 1.18 -0.14 0.00 -0.91 0.00 0.00 33.84 34.33 1pul n VAL 56 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1pul n LEU 57 N -0.29 2.12 0.00 7.52 7.94 -1.13 -4.90 117.00 128.25 1pul n LEU 57 Ca 0.00 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1pul n LEU 57 Cb 0.05 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.30 1pul n LEU 57 CO 0.00 0.74 0.00 -0.67 -1.11 0.00 0.00 177.39 176.35 1pul n ASP 58 N -3.30 0.00 -1.26 1.96 2.03 -1.26 -4.81 116.55 109.91 1pul n ASP 58 Ca -0.31 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.86 1pul n ASP 58 Cb 1.05 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.38 1pul n ASP 58 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pul n ASN 59 N -1.62 -4.76 0.00 1.67 3.02 -1.26 -0.89 115.26 111.42 1pul n ASN 59 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1pul n ASN 59 Cb 0.00 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 1pul n ASN 59 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pul n LYS 60 N -1.66 0.00 0.18 3.52 5.02 -1.26 -4.49 118.16 119.47 1pul n LYS 60 Ca -0.15 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.18 1pul n LYS 60 Cb 0.56 -0.06 0.32 0.00 -0.02 0.00 0.00 35.03 35.83 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pul h ALA 61 N 0.00 1.11 -2.68 7.82 0.00 -1.98 -3.43 119.26 120.10 1pul h ALA 61 Ca 0.00 -0.39 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1pul h ALA 61 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1pul h ALA 61 CO 0.00 0.54 0.13 0.42 0.00 0.00 0.00 179.25 180.34 1pul s ILE 62 N -3.80 4.75 -0.10 0.00 1.01 -0.07 -5.04 121.20 117.95 1pul s ILE 62 Ca -0.01 1.57 -0.09 0.00 0.00 0.00 0.00 60.65 62.12 1pul s ILE 62 Cb 0.12 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1pul s ILE 62 CO 0.71 0.38 0.20 0.42 0.00 0.00 0.00 174.94 176.64 1pul s THR 63 N -0.10 5.41 0.63 2.92 -4.23 -1.26 -4.79 115.64 114.22 1pul s THR 63 Ca 0.37 0.34 0.41 0.00 -1.18 0.00 0.00 61.69 61.63 1pul s THR 63 Cb -0.20 -3.47 0.42 0.00 1.34 0.00 0.00 72.50 70.59 1pul s THR 63 CO 0.22 0.59 2.33 1.23 -0.54 0.00 0.00 174.62 178.46 1pul h GLY 64 N 5.11 0.00 1.10 3.99 0.00 -1.96 -1.29 103.07 110.02 1pul h GLY 64 Ca -0.53 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.57 1pul h GLY 64 CO 0.61 0.00 -0.86 0.00 0.00 0.00 0.00 176.54 176.29 1pul h THR 65 N 0.00 1.31 0.18 4.70 1.03 -1.97 -0.46 112.91 117.69 1pul h THR 65 Ca -0.00 -2.11 -0.01 0.00 -0.01 0.00 0.00 66.41 64.28 1pul h THR 65 Cb 0.02 2.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.39 1pul h THR 65 CO 0.00 0.65 -0.09 -0.03 -0.01 0.00 0.00 175.52 176.04 1pul h MET 66 N 0.33 -0.23 -0.60 0.00 -1.53 -1.67 -1.21 114.93 110.03 1pul h MET 66 Ca -0.09 0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.13 1pul h MET 66 Cb 1.52 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 32.59 1pul h MET 66 CO 0.17 0.15 0.17 0.00 0.14 0.00 0.00 176.91 177.54 1pul h THR 67 N -0.68 1.23 -0.38 -0.77 1.03 -1.54 -0.94 112.91 110.86 1pul h THR 67 Ca -0.02 -0.81 -0.01 0.00 -0.01 0.00 0.00 66.41 65.55 1pul h THR 67 Cb 0.49 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 68.14 1pul h THR 67 CO 0.04 0.31 0.19 1.23 -0.01 0.00 0.00 175.52 177.28 1pul h GLY 68 N 1.01 0.58 1.01 2.99 0.00 -1.05 0.68 103.07 108.28 1pul h GLY 68 Ca 0.19 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1pul h GLY 68 CO -0.01 0.26 0.12 -2.22 0.00 0.00 0.00 176.54 174.70 1pul h ILE 69 N 0.48 1.25 -0.39 2.60 2.04 -0.98 -0.63 117.51 121.87 1pul h ILE 69 Ca 0.13 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1pul h ILE 69 Cb 0.10 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1pul h ILE 69 CO -0.02 0.34 0.24 0.00 0.00 0.00 0.00 178.15 178.71 1pul h ALA 70 N 1.01 0.49 -0.68 1.87 0.00 -0.92 -1.73 119.26 119.31 1pul h ALA 70 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pul h ALA 70 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pul h ALA 70 CO 0.01 -0.08 0.40 0.35 0.00 0.00 0.00 179.25 179.93 1pul h PHE 71 N 0.50 0.90 -0.02 0.00 3.57 -0.68 -0.95 116.94 120.26 1pul h PHE 71 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1pul h PHE 71 Cb -0.03 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 1pul h PHE 71 CO -0.06 0.62 0.02 0.77 -2.23 0.00 0.00 178.31 177.42 1pul h SER 72 N 0.92 0.00 0.16 0.41 0.02 -0.59 -2.07 113.55 112.40 1pul h SER 72 Ca 0.24 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.89 1pul h SER 72 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1pul h SER 72 CO -0.04 0.00 -1.46 0.11 -1.14 0.00 0.00 176.83 174.29 1pul h LYS 73 N 0.00 0.34 -0.05 3.45 1.57 -0.44 -2.20 116.57 119.24 1pul h LYS 73 Ca 0.01 -0.58 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 1pul h LYS 73 Cb 0.04 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1pul h LYS 73 CO -0.00 1.28 -0.24 -0.39 -0.57 0.00 0.00 179.45 179.52 1pul h VAL 74 N -0.12 1.20 0.00 0.50 -1.51 -0.89 -3.35 116.25 112.08 1pul h VAL 74 Ca -0.29 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1pul h VAL 74 Cb 1.91 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1pul h VAL 74 CO 0.14 0.28 0.00 0.35 -1.23 0.00 0.00 177.57 177.10 1pul n THR 75 N -4.21 0.00 0.00 7.19 -2.24 -0.81 -4.39 114.28 109.82 1pul n THR 75 Ca -0.02 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1pul n THR 75 Cb 0.32 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 2.06 1.51 1.85 3.38 0.00 -0.83 -4.75 105.19 108.41 1pul n GLY 76 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1pul n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pul n PRO 77 N 0.00 -2.36 -0.02 1.61 -0.04 -1.26 -4.93 135.00 128.00 1pul n PRO 77 Ca 0.00 -0.91 0.03 0.00 -0.04 0.00 0.00 63.50 62.57 1pul n PRO 77 Cb 0.00 -0.90 0.38 0.00 -0.04 0.00 0.00 33.50 32.95 1pul n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1pul h LYS 78 N 0.00 0.58 0.00 0.54 1.63 -2.04 -3.36 116.57 113.92 1pul h LYS 78 Ca -0.22 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1pul h LYS 78 Cb 0.68 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1pul h LYS 78 CO 0.14 0.42 0.00 1.17 -3.45 0.00 0.00 179.45 177.74 1pul n LYS 79 N -4.43 0.00 0.00 1.90 4.81 -1.26 -4.98 118.16 114.20 1pul n LYS 79 Ca 0.03 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1pul n LYS 79 Cb 0.09 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1pul n LYS 79 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pul n LYS 80 N -2.41 0.00 -3.18 1.64 5.02 -1.26 -5.11 118.16 112.86 1pul n LYS 80 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1pul n LYS 80 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1pul n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pul s ALA 81 N -1.00 -2.70 1.03 7.82 0.00 -1.26 -4.42 121.76 121.23 1pul s ALA 81 Ca 0.00 1.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 1pul s ALA 81 Cb 0.00 -2.27 0.22 0.00 0.00 0.00 0.00 23.12 21.07 1pul s ALA 81 CO 0.00 -1.34 1.25 0.99 0.00 0.00 0.00 175.76 176.66 1pul s THR 82 N 2.88 1.88 0.48 0.00 2.01 -1.26 -3.54 115.64 118.08 1pul s THR 82 Ca 0.11 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.32 1pul s THR 82 Cb -0.13 -2.84 0.38 0.00 0.01 0.00 0.00 72.50 69.92 1pul s THR 82 CO -0.17 0.00 1.95 -0.26 -0.69 0.00 0.00 174.62 175.45 1pul h PHE 83 N -1.92 0.24 -0.07 4.92 0.04 -1.87 0.95 116.94 119.23 1pul h PHE 83 Ca -0.45 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.35 1pul h PHE 83 Cb 1.25 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 1pul h PHE 83 CO -1.41 0.09 0.05 0.22 -0.60 0.00 0.00 178.31 176.66 1pul h ASP 84 N 0.21 0.00 -0.08 2.17 3.58 -1.92 -3.18 116.42 117.20 1pul h ASP 84 Ca 0.32 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.79 1pul h ASP 84 Cb 0.97 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 1pul h ASP 84 CO -0.06 0.00 -0.35 -0.08 -2.88 0.00 0.00 179.24 175.87 1pul h GLU 85 N 0.00 -0.36 -0.82 0.28 4.22 -1.01 -1.47 114.58 115.42 1pul h GLU 85 Ca 0.03 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.52 1pul h GLU 85 Cb 0.13 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1pul h GLU 85 CO -0.00 -0.24 0.54 1.15 -2.18 0.00 0.00 179.01 178.28 1pul h THR 86 N -0.37 1.17 -0.20 0.32 2.02 -1.73 -1.16 112.91 112.96 1pul h THR 86 Ca 0.02 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 1pul h THR 86 Cb 0.43 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1pul h THR 86 CO -0.27 0.20 -0.43 0.07 0.37 0.00 0.00 175.52 175.45 1pul h LYS 87 N 1.07 0.49 0.49 6.66 2.10 -1.64 -2.22 116.57 123.53 1pul h LYS 87 Ca 0.32 -0.26 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 1pul h LYS 87 Cb -0.06 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1pul h LYS 87 CO -0.09 0.83 -0.24 0.87 -2.00 0.00 0.00 179.45 178.83 1pul h LYS 88 N 0.40 -0.64 -0.77 0.07 1.57 -0.58 -2.61 116.57 114.01 1pul h LYS 88 Ca 0.03 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1pul h LYS 88 Cb 0.92 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1pul h LYS 88 CO 0.08 -0.43 0.36 -0.24 -0.57 0.00 0.00 179.45 178.65 1pul h VAL 89 N -1.07 1.24 -0.21 0.50 3.04 -1.30 0.15 116.25 118.60 1pul h VAL 89 Ca -0.07 -0.69 -0.14 0.00 -1.01 0.00 0.00 66.70 64.79 1pul h VAL 89 Cb 0.51 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1pul h VAL 89 CO 0.11 0.29 -0.46 0.25 -1.01 0.00 0.00 177.57 176.76 1pul h LEU 90 N 1.10 0.57 -0.13 3.16 5.85 -1.52 -1.99 115.31 122.35 1pul h LEU 90 Ca 0.26 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1pul h LEU 90 Cb 0.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1pul h LEU 90 CO -0.03 0.95 -0.46 0.00 -0.34 0.00 0.00 178.44 178.56 1pul h ALA 91 N 1.07 0.23 -0.34 1.25 0.00 -0.98 -2.78 119.26 117.72 1pul h ALA 91 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pul h ALA 91 Cb 0.97 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1pul h ALA 91 CO 0.09 0.38 0.22 0.74 0.00 0.00 0.00 179.25 180.67 1pul h PHE 92 N 0.16 0.43 -0.38 0.00 -1.00 -0.63 0.30 116.94 115.81 1pul h PHE 92 Ca -0.02 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1pul h PHE 92 Cb 1.09 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.49 1pul h PHE 92 CO 0.11 0.28 0.11 -0.39 -1.61 0.00 0.00 178.31 176.80 1pul h VAL 93 N 0.45 1.22 0.01 -0.55 -1.51 -1.45 -1.11 116.25 113.30 1pul h VAL 93 Ca 0.12 -0.73 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1pul h VAL 93 Cb -0.04 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1pul h VAL 93 CO -0.03 0.25 -0.00 0.00 -1.23 0.00 0.00 177.57 176.56 1pul h ALA 94 N 0.95 -0.01 -0.44 5.19 0.00 -1.25 -2.63 119.26 121.08 1pul h ALA 94 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pul h ALA 94 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pul h ALA 94 CO -0.00 -0.48 0.17 1.49 0.00 0.00 0.00 179.25 180.42 1pul h GLU 95 N -0.05 0.66 -0.46 0.00 4.81 -0.30 0.56 114.58 119.78 1pul h GLU 95 Ca -0.00 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1pul h GLU 95 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1pul h GLU 95 CO 0.00 0.61 0.09 0.22 -0.73 0.00 0.00 179.01 179.20 1pul h ASP 96 N 0.56 0.66 0.00 1.04 3.58 -1.21 0.30 116.42 121.35 1pul h ASP 96 Ca 0.14 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1pul h ASP 96 Cb 0.20 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.09 1pul h ASP 96 CO -0.01 0.67 -0.37 -0.09 -2.88 0.00 0.00 179.24 176.56 1pul h ARG 97 N 0.69 0.25 0.18 0.28 1.12 -1.12 -3.25 114.38 112.52 1pul h ARG 97 Ca 0.15 -0.27 0.01 0.00 -1.11 0.00 0.00 59.98 58.76 1pul h ARG 97 Cb 0.29 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 1pul h ARG 97 CO 0.00 0.99 -0.29 0.00 -3.11 0.00 0.00 179.97 177.56 1pul h ALA 98 N 0.27 -0.54 0.00 2.80 0.00 0.51 -1.77 119.26 120.53 1pul h ALA 98 Ca -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pul h ALA 98 Cb 1.12 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1pul h ALA 98 CO 0.07 -0.85 -0.18 0.07 0.00 0.00 0.00 179.25 178.36 1pul h ARG 99 N -0.54 0.00 0.00 0.00 -0.00 -0.91 0.54 114.38 113.47 1pul h ARG 99 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.85 1pul h ARG 99 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.49 1pul h ARG 99 CO -0.13 0.18 -0.71 1.96 -0.00 0.00 0.00 179.97 181.27 1pul h GLN 100 N 0.00 0.00 0.00 0.08 4.20 -1.52 -3.39 115.11 114.48 1pul h GLN 100 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pul h GLN 100 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1pul h GLN 100 CO 0.02 0.71 -0.27 0.45 -0.67 0.00 0.00 178.83 179.07 1pul n SER 101 N -3.33 0.57 0.00 1.46 2.88 -0.59 -4.97 113.62 109.65 1pul n SER 101 Ca 0.01 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1pul n SER 101 Cb 0.80 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.06 0.00 0.00 -1.46 5.02 0.17 -5.09 118.16 113.74 1pul n LYS 102 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1pul n LYS 102 Cb 0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1pul n LYS 102 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pul n LYS 103 N -1.77 0.00 -2.69 1.97 4.81 -0.22 -4.84 118.16 115.41 1pul n LYS 103 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1pul n LYS 103 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pul s PRO 104 N 0.00 4.57 0.06 1.64 0.02 -1.26 -3.21 135.00 136.82 1pul s PRO 104 Ca 0.00 1.45 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 1pul s PRO 104 Cb 0.00 -3.44 -0.17 0.00 0.02 0.00 0.00 34.50 30.91 1pul s PRO 104 CO 0.00 -0.02 1.25 0.97 -0.33 0.00 0.00 177.00 178.87 1pul h ILE 105 N 4.65 1.34 -0.76 2.83 6.09 -1.91 -2.82 117.51 126.94 1pul h ILE 105 Ca -0.41 -1.86 -0.01 0.00 -1.37 0.00 0.00 64.86 61.20 1pul h ILE 105 Cb 1.22 2.12 -0.04 0.00 0.47 0.00 0.00 36.82 40.59 1pul h ILE 105 CO 0.75 0.57 0.42 -0.61 -3.07 0.00 0.00 178.15 176.21 1pul h GLN 106 N 0.25 1.05 -0.93 2.19 5.75 -1.98 0.25 115.11 121.69 1pul h GLN 106 Ca -0.04 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1pul h GLN 106 Cb 1.22 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1pul h GLN 106 CO 0.12 0.78 0.54 0.22 -2.65 0.00 0.00 178.83 177.83 1pul h ASP 107 N 1.04 1.13 -0.07 -0.69 3.58 -1.98 0.22 116.42 119.65 1pul h ASP 107 Ca 0.27 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1pul h ASP 107 Cb 0.03 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 1pul h ASP 107 CO -0.04 0.89 -0.02 -0.08 -2.88 0.00 0.00 179.24 177.10 1pul h GLU 108 N 1.28 0.14 -0.50 0.28 4.57 -0.94 -0.01 114.58 119.41 1pul h GLU 108 Ca 0.33 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1pul h GLU 108 Cb -0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1pul h GLU 108 CO -0.06 0.47 -0.03 1.25 -1.18 0.00 0.00 179.01 179.46 1pul h LEU 109 N -0.19 0.84 -0.45 1.64 5.85 -0.45 -0.42 115.31 122.13 1pul h LEU 109 Ca 0.02 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1pul h LEU 109 Cb 0.42 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1pul h LEU 109 CO 0.01 0.93 0.27 -0.78 -0.34 0.00 0.00 178.44 178.52 1pul h ASP 110 N 0.80 0.43 0.05 1.25 1.82 -0.44 0.23 116.42 120.56 1pul h ASP 110 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1pul h ASP 110 Cb 0.52 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.44 1pul h ASP 110 CO 0.03 0.31 -0.04 0.00 -1.61 0.00 0.00 179.24 177.92 1pul h ALA 111 N 1.20 -0.09 -0.32 -0.78 0.00 -0.54 0.26 119.26 118.99 1pul h ALA 111 Ca 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pul h ALA 111 Cb 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1pul h ALA 111 CO -0.08 -0.56 -0.03 0.82 0.00 0.00 0.00 179.25 179.40 1pul h ILE 112 N -0.11 0.73 -0.46 0.00 2.04 -0.69 0.18 117.51 119.21 1pul h ILE 112 Ca 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1pul h ILE 112 Cb 0.10 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1pul h ILE 112 CO -0.01 0.01 0.19 0.74 0.00 0.00 0.00 178.15 179.08 1pul h THR 113 N 0.05 1.20 -0.18 -0.27 2.02 -0.30 -2.24 112.91 113.20 1pul h THR 113 Ca 0.15 -0.61 -0.20 0.00 0.77 0.00 0.00 66.41 66.52 1pul h THR 113 Cb 0.22 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1pul h THR 113 CO -0.28 0.23 -0.69 1.05 0.37 0.00 0.00 175.52 176.19 1pul h GLU 114 N 0.59 0.73 -0.92 6.66 -0.00 -0.68 -2.71 114.58 118.26 1pul h GLU 114 Ca 0.15 -0.55 0.08 0.00 -0.00 0.00 0.00 59.36 59.04 1pul h GLU 114 Cb 0.17 0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 28.96 1pul h GLU 114 CO -0.01 1.17 0.60 0.87 -0.00 0.00 0.00 179.01 181.63 1pul h LYS 115 N 0.52 0.98 -0.39 1.06 1.57 -0.50 0.65 116.57 120.46 1pul h LYS 115 Ca -0.03 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1pul h LYS 115 Cb 1.30 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1pul h LYS 115 CO 0.14 0.65 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.45 1pul h LEU 116 N 1.01 0.82 -0.79 2.94 3.38 -1.31 0.29 115.31 121.65 1pul h LEU 116 Ca 0.41 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1pul h LEU 116 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1pul h LEU 116 CO -0.17 1.02 0.05 0.00 0.09 0.00 0.00 178.44 179.43 1pul h ALA 117 N 0.82 0.99 0.00 1.53 0.00 -1.05 -2.23 119.26 119.32 1pul h ALA 117 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pul h ALA 117 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pul h ALA 117 CO 0.05 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 179.71 1pul h LYS 118 N 0.90 0.00 -1.05 0.00 3.64 0.57 -3.09 116.57 117.54 1pul h LYS 118 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pul h LYS 118 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1pul h LYS 118 CO 0.02 0.00 0.00 -0.11 -2.27 0.00 0.00 179.45 177.09 1pul n LEU 119 N -2.35 1.91 0.00 5.20 7.94 0.10 -5.03 117.00 124.77 1pul n LEU 119 Ca 0.03 -0.95 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 1pul n LEU 119 Cb 0.32 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.85 1pul n LEU 119 CO 0.24 0.34 0.00 -0.62 -1.11 0.00 0.00 177.39 176.25