#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd n SER 3 N 0.00 -1.48 -2.75 6.12 7.64 -1.26 -5.02 113.62 116.87 1uwd n SER 3 Ca 0.00 0.39 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 1uwd n SER 3 Cb 0.00 -1.26 0.04 0.00 -1.01 0.00 0.00 64.21 61.98 1uwd n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1uwd n LYS 4 N -1.99 0.74 -3.65 1.43 4.81 -1.26 -5.08 118.16 113.15 1uwd n LYS 4 Ca 0.08 -1.76 -0.22 0.00 -0.87 0.00 0.00 58.31 55.54 1uwd n LYS 4 Cb 0.53 -1.45 -0.18 0.00 0.02 0.00 0.00 35.03 33.95 1uwd n LYS 4 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uwd s LYS 5 N 0.72 -0.02 0.29 1.64 2.36 -1.26 -4.92 119.74 118.55 1uwd s LYS 5 Ca 0.32 0.24 -0.06 0.00 -2.55 0.00 0.00 55.97 53.91 1uwd s LYS 5 Cb 0.20 -0.92 -0.06 0.00 -1.05 0.00 0.00 37.83 36.00 1uwd s LYS 5 CO -0.22 -0.43 0.57 0.08 1.55 0.00 0.00 175.35 176.90 1uwd s VAL 6 N 2.16 4.99 0.36 4.02 1.01 -1.26 -5.07 120.40 126.60 1uwd s VAL 6 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1uwd s VAL 6 Cb -0.13 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1uwd s VAL 6 CO -0.05 -0.30 0.05 0.42 0.00 0.00 0.00 175.10 175.22 1uwd s THR 7 N -2.07 1.32 0.42 3.92 -4.23 -1.26 -4.89 115.64 108.86 1uwd s THR 7 Ca 0.45 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.09 1uwd s THR 7 Cb -0.11 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 71.11 1uwd s THR 7 CO 0.29 0.00 1.95 0.07 -0.54 0.00 0.00 174.62 176.39 1uwd h LYS 8 N 1.99 0.07 -0.78 3.99 2.10 -1.97 -2.26 116.57 119.71 1uwd h LYS 8 Ca -0.41 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.18 1uwd h LYS 8 Cb 1.25 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.53 1uwd h LYS 8 CO 0.71 0.26 0.32 1.49 -2.00 0.00 0.00 179.45 180.23 1uwd h GLU 9 N 0.07 1.15 -0.19 0.07 4.81 -1.96 -1.82 114.58 116.72 1uwd h GLU 9 Ca 0.01 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1uwd h GLU 9 Cb 0.37 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1uwd h GLU 9 CO 0.03 0.92 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.51 1uwd h ASP 10 N 1.13 0.57 -0.24 1.04 3.45 -1.83 -1.98 116.42 118.55 1uwd h ASP 10 Ca 0.26 -0.52 -0.04 0.00 0.43 0.00 0.00 57.03 57.16 1uwd h ASP 10 Cb 0.20 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1uwd h ASP 10 CO -0.02 0.98 0.05 0.58 -1.57 0.00 0.00 179.24 179.25 1uwd h VAL 11 N 0.17 1.17 -0.16 -1.35 2.07 -1.33 0.15 116.25 116.97 1uwd h VAL 11 Ca 0.02 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1uwd h VAL 11 Cb 0.86 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1uwd h VAL 11 CO 0.06 0.22 -0.25 -0.07 0.02 0.00 0.00 177.57 177.55 1uwd h LEU 12 N 0.47 0.50 -1.41 2.57 3.38 -1.21 -2.39 115.31 117.22 1uwd h LEU 12 Ca 0.11 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1uwd h LEU 12 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1uwd h LEU 12 CO 0.00 0.93 0.04 0.78 0.09 0.00 0.00 178.44 180.28 1uwd h ASN 13 N 0.08 0.40 -0.17 -0.43 2.35 -0.83 -2.81 115.58 114.16 1uwd h ASN 13 Ca 0.01 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1uwd h ASN 13 Cb 0.83 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1uwd h ASN 13 CO 0.06 0.43 -0.00 0.00 -1.65 0.00 0.00 177.43 176.27 1uwd h ALA 14 N 1.63 0.24 0.00 -0.83 0.00 -0.58 -3.01 119.26 116.70 1uwd h ALA 14 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uwd h ALA 14 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uwd h ALA 14 CO 0.00 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1uwd n LEU 15 N -4.72 0.00 -1.04 0.00 4.77 -0.91 -3.03 117.00 112.07 1uwd n LEU 15 Ca -0.05 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1uwd n LEU 15 Cb 0.22 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1uwd n LEU 15 CO 0.36 -0.11 0.40 0.29 -1.33 0.00 0.00 177.39 177.01 1uwd n LYS 16 N -1.30 0.76 0.00 3.23 5.02 -1.13 -2.38 118.16 122.37 1uwd n LYS 16 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1uwd n LYS 16 Cb 0.16 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1uwd n LYS 16 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uwd n ASN 17 N 0.68 0.00 -4.06 4.39 3.02 -1.17 -4.99 115.26 113.13 1uwd n ASN 17 Ca 0.00 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.21 1uwd n ASN 17 Cb 0.38 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uwd s VAL 18 N 0.00 4.00 -0.32 2.41 1.01 -1.00 -5.03 120.40 121.47 1uwd s VAL 18 Ca 0.00 -3.98 -0.19 0.00 0.00 0.00 0.00 61.98 57.81 1uwd s VAL 18 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1uwd s VAL 18 CO 0.00 -1.07 0.56 -0.63 0.00 0.00 0.00 175.10 173.96 1uwd s ILE 19 N -1.39 4.98 -0.21 2.22 -1.09 -1.26 -1.62 121.20 122.83 1uwd s ILE 19 Ca 0.27 0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 59.02 1uwd s ILE 19 Cb -0.06 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1uwd s ILE 19 CO -0.14 -0.15 2.15 -0.62 -1.23 0.00 0.00 174.94 174.95 1uwd s ASP 20 N 1.70 5.59 0.35 3.58 -1.08 -0.88 -4.86 116.67 121.06 1uwd s ASP 20 Ca 0.22 1.90 0.06 0.00 -0.52 0.00 0.00 52.55 54.21 1uwd s ASP 20 Cb -0.15 -2.51 0.73 0.00 -1.46 0.00 0.00 42.92 39.53 1uwd s ASP 20 CO 0.12 -1.85 1.91 0.15 0.52 0.00 0.00 175.17 176.02 1uwd h PHE 21 N 14.43 0.84 0.00 -5.34 3.57 -1.94 -0.10 116.94 128.40 1uwd h PHE 21 Ca -0.41 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1uwd h PHE 21 Cb 1.23 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1uwd h PHE 21 CO 0.94 0.39 0.00 1.49 -2.23 0.00 0.00 178.31 178.90 1uwd h GLU 22 N 0.78 0.00 -2.03 1.11 4.57 -1.98 -3.39 114.58 113.64 1uwd h GLU 22 Ca 0.39 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 58.09 1uwd h GLU 22 Cb 0.45 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 28.71 1uwd h GLU 22 CO -0.16 0.00 -0.86 -0.51 -1.18 0.00 0.00 179.01 176.31 1uwd s LEU 23 N -5.76 0.68 -1.23 1.64 1.02 -0.09 -5.07 118.68 109.86 1uwd s LEU 23 Ca 0.07 -2.71 -0.08 0.00 0.02 0.00 0.00 54.13 51.43 1uwd s LEU 23 Cb 0.07 0.15 -0.07 0.00 0.02 0.00 0.00 46.19 46.36 1uwd s LEU 23 CO 0.63 -0.14 2.47 0.61 0.02 0.00 0.00 176.35 179.94 1uwd n GLY 24 N 2.91 3.62 3.18 -3.19 0.00 -0.94 -3.97 105.19 106.80 1uwd n GLY 24 Ca 0.27 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1uwd n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwd s LEU 25 N 0.21 2.51 0.69 0.99 2.01 -1.26 -4.93 118.68 118.90 1uwd s LEU 25 Ca 0.53 -1.01 -0.15 0.00 0.01 0.00 0.00 54.13 53.52 1uwd s LEU 25 Cb 0.14 -0.12 0.02 0.00 0.01 0.00 0.00 46.19 46.23 1uwd s LEU 25 CO -0.04 -0.44 1.14 -1.81 1.01 0.00 0.00 176.35 176.21 1uwd s ASP 26 N -3.06 4.76 0.40 2.29 1.01 -1.26 -2.08 116.67 118.72 1uwd s ASP 26 Ca 0.13 2.11 0.19 0.00 0.71 0.00 0.00 52.55 55.69 1uwd s ASP 26 Cb 0.05 -2.56 1.11 0.00 1.01 0.00 0.00 42.92 42.53 1uwd s ASP 26 CO -0.04 -1.87 1.76 -0.37 0.21 0.00 0.00 175.17 174.86 1uwd h VAL 27 N -0.13 0.50 -0.15 -1.27 -1.51 -1.51 0.24 116.25 112.42 1uwd h VAL 27 Ca -0.47 -0.13 -0.22 0.00 -1.23 0.00 0.00 66.70 64.65 1uwd h VAL 27 Cb 1.26 0.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1uwd h VAL 27 CO 0.52 0.07 -0.75 0.58 -1.23 0.00 0.00 177.57 176.76 1uwd h VAL 28 N 0.38 1.29 -0.37 7.19 2.07 -1.86 -1.90 116.25 123.06 1uwd h VAL 28 Ca 0.61 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 1uwd h VAL 28 Cb 1.55 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1uwd h VAL 28 CO -0.31 0.62 -0.10 0.28 0.02 0.00 0.00 177.57 178.08 1uwd h SER 29 N 0.51 0.62 0.24 0.57 0.02 -1.55 -0.53 113.55 113.42 1uwd h SER 29 Ca -0.04 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1uwd h SER 29 Cb 1.37 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1uwd h SER 29 CO 0.15 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.78 1uwd n LEU 30 N -4.19 0.00 -2.17 5.07 4.77 0.72 -4.14 117.00 117.05 1uwd n LEU 30 Ca 0.01 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1uwd n LEU 30 Cb 0.33 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1uwd n LEU 30 CO 0.41 -0.25 -0.20 0.61 -1.33 0.00 0.00 177.39 176.64 1uwd n GLY 31 N -0.48 -0.38 0.00 -0.72 0.00 -0.21 -4.01 105.19 99.40 1uwd n GLY 31 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1uwd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwd n LEU 32 N -2.76 0.00 -0.94 0.99 4.77 -0.74 -4.95 117.00 113.37 1uwd n LEU 32 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1uwd n LEU 32 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1uwd n LEU 32 CO 0.28 -0.50 -0.29 0.52 -1.33 0.00 0.00 177.39 176.07 1uwd n VAL 33 N -1.09 -2.08 0.00 4.08 0.31 -1.26 -4.94 118.33 113.35 1uwd n VAL 33 Ca 0.00 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 1uwd n VAL 33 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1uwd n VAL 33 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1uwd n TYR 34 N -1.93 0.00 -3.93 3.52 4.01 0.63 -4.91 117.16 114.55 1uwd n TYR 34 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1uwd n TYR 34 Cb 0.23 0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 1uwd n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1uwd s ASP 35 N -2.45 6.29 -0.30 7.72 -1.08 -1.22 -4.95 116.67 120.69 1uwd s ASP 35 Ca 0.00 0.28 -0.00 0.00 -0.52 0.00 0.00 52.55 52.31 1uwd s ASP 35 Cb 0.00 -1.94 0.13 0.00 -1.46 0.00 0.00 42.92 39.66 1uwd s ASP 35 CO 0.00 0.21 0.28 -0.63 0.52 0.00 0.00 175.17 175.55 1uwd s ILE 36 N -1.42 -0.35 -0.09 4.11 1.01 -1.26 -1.50 121.20 121.71 1uwd s ILE 36 Ca 0.31 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1uwd s ILE 36 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1uwd s ILE 36 CO 0.24 -0.52 -0.20 0.00 0.00 0.00 0.00 174.94 174.45 1uwd s GLN 37 N 2.21 2.65 -0.22 2.79 -2.07 -0.03 -4.72 119.66 120.26 1uwd s GLN 37 Ca 0.10 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 52.91 1uwd s GLN 37 Cb -0.14 -2.04 0.03 0.00 -1.09 0.00 0.00 33.01 29.77 1uwd s GLN 37 CO -0.30 0.13 -0.12 0.42 -1.32 0.00 0.00 175.29 174.09 1uwd s ILE 38 N 0.46 2.43 1.09 3.63 1.09 -1.26 -0.58 121.20 128.06 1uwd s ILE 38 Ca -0.17 -1.11 -0.12 0.00 -1.10 0.00 0.00 60.65 58.14 1uwd s ILE 38 Cb -0.17 -2.20 0.24 0.00 -1.06 0.00 0.00 42.46 39.27 1uwd s ILE 38 CO 0.07 0.28 1.06 -0.62 -0.10 0.00 0.00 174.94 175.63 1uwd s ASP 39 N 1.27 1.61 0.27 3.58 3.68 -0.69 -4.85 116.67 121.54 1uwd s ASP 39 Ca 0.00 1.62 0.25 0.00 2.13 0.00 0.00 52.55 56.55 1uwd s ASP 39 Cb -0.16 -2.32 0.95 0.00 -1.45 0.00 0.00 42.92 39.95 1uwd s ASP 39 CO -0.08 -3.83 1.75 0.44 0.13 0.00 0.00 175.17 173.59 1uwd h ASP 40 N -2.37 0.00 0.00 -0.34 3.45 -1.97 0.17 116.42 115.37 1uwd h ASP 40 Ca -0.57 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.89 1uwd h ASP 40 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1uwd h ASP 40 CO 0.49 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 1uwd n GLN 41 N -2.33 0.74 -3.42 3.56 1.13 -1.26 -4.89 117.38 110.91 1uwd n GLN 41 Ca 0.03 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.84 1uwd n GLN 41 Cb 0.29 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1uwd n ASN 42 N -0.84 -4.03 -4.55 1.08 3.02 0.61 -4.36 115.26 106.18 1uwd n ASN 42 Ca 0.12 -0.45 -0.37 0.00 -0.03 0.00 0.00 54.58 53.86 1uwd n ASN 42 Cb 0.05 -3.31 -0.03 0.00 -0.61 0.00 0.00 39.78 35.88 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uwd s ASN 43 N -2.80 5.71 -0.30 6.41 0.01 -1.25 -2.23 114.94 120.50 1uwd s ASN 43 Ca 0.43 -0.46 -0.29 0.00 -0.71 0.00 0.00 52.86 51.83 1uwd s ASN 43 Cb -0.22 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1uwd s ASN 43 CO 0.53 -2.15 1.27 -0.69 -1.51 0.00 0.00 177.10 174.55 1uwd s VAL 44 N 7.64 4.19 -0.10 1.60 1.01 -0.36 -1.70 120.40 132.67 1uwd s VAL 44 Ca 0.55 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1uwd s VAL 44 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1uwd s VAL 44 CO 0.08 -0.47 -0.23 -0.75 0.00 0.00 0.00 175.10 173.73 1uwd s LYS 45 N 4.09 2.91 -0.05 2.72 2.20 0.25 -0.77 119.74 131.08 1uwd s LYS 45 Ca 0.55 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1uwd s LYS 45 Cb -0.16 -2.21 0.03 0.00 -1.51 0.00 0.00 37.83 33.97 1uwd s LYS 45 CO 0.22 0.16 -0.00 0.08 -0.36 0.00 0.00 175.35 175.45 1uwd s VAL 46 N 0.39 0.32 -0.65 4.02 1.01 -1.04 -0.85 120.40 123.61 1uwd s VAL 46 Ca -0.18 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 1uwd s VAL 46 Cb -0.18 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1uwd s VAL 46 CO 0.08 0.22 1.15 -0.76 0.00 0.00 0.00 175.10 175.80 1uwd s LEU 47 N 1.59 3.58 0.53 3.92 1.02 -0.56 -1.59 118.68 127.17 1uwd s LEU 47 Ca -0.01 -0.33 0.08 0.00 0.02 0.00 0.00 54.13 53.90 1uwd s LEU 47 Cb -0.13 -2.78 0.06 0.00 0.02 0.00 0.00 46.19 43.36 1uwd s LEU 47 CO -0.03 -1.57 0.73 -0.32 0.02 0.00 0.00 176.35 175.18 1uwd s MET 48 N 4.96 2.46 -0.09 1.70 1.75 -0.79 -0.27 119.30 129.02 1uwd s MET 48 Ca 0.35 -1.46 -0.13 0.00 -1.25 0.00 0.00 55.69 53.20 1uwd s MET 48 Cb -0.10 -2.67 0.03 0.00 2.84 0.00 0.00 34.83 34.94 1uwd s MET 48 CO 0.18 -0.68 0.33 -0.08 -0.65 0.00 0.00 175.02 174.12 1uwd s THR 49 N -2.58 0.02 0.64 10.11 -1.32 -1.26 -0.54 115.64 120.70 1uwd s THR 49 Ca 0.60 -0.14 -0.07 0.00 -1.21 0.00 0.00 61.69 60.86 1uwd s THR 49 Cb -0.07 -0.52 0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1uwd s THR 49 CO 0.37 -0.08 0.97 -0.04 -2.21 0.00 0.00 174.62 173.63 1uwd s MET 50 N -0.28 2.75 0.21 7.08 -1.94 -1.26 -4.56 119.30 121.30 1uwd s MET 50 Ca -0.04 0.06 -0.10 0.00 -1.71 0.00 0.00 55.69 53.90 1uwd s MET 50 Cb -0.03 -2.19 0.21 0.00 2.01 0.00 0.00 34.83 34.83 1uwd s MET 50 CO 0.02 -0.89 1.83 0.00 -0.01 0.00 0.00 175.02 175.96 1uwd h THR 51 N -0.38 1.03 -2.87 2.05 1.03 -1.98 -3.46 112.91 108.33 1uwd h THR 51 Ca -0.45 -0.26 -0.12 0.00 -0.01 0.00 0.00 66.41 65.56 1uwd h THR 51 Cb 1.27 0.20 -0.23 0.00 -1.07 0.00 0.00 68.15 68.32 1uwd h THR 51 CO 0.61 0.14 -0.26 0.42 -0.01 0.00 0.00 175.52 176.42 1uwd s THR 52 N -6.11 0.02 -1.48 0.00 -4.23 -1.26 -4.92 115.64 97.67 1uwd s THR 52 Ca -0.13 -0.15 0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1uwd s THR 52 Cb 0.16 -0.57 0.36 0.00 1.34 0.00 0.00 72.50 73.79 1uwd s THR 52 CO 0.76 -0.08 1.60 -0.81 -0.54 0.00 0.00 174.62 175.55 1uwd n PRO 53 N 2.31 0.31 -0.12 3.99 -0.04 -1.26 -2.92 135.00 137.25 1uwd n PRO 53 Ca -0.16 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 1uwd n PRO 53 Cb 0.57 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1uwd n PRO 53 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1uwd h MET 54 N 0.00 0.87 -4.30 0.54 2.86 -2.01 -3.48 114.93 109.41 1uwd h MET 54 Ca 0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1uwd h MET 54 Cb 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1uwd h MET 54 CO 0.00 0.98 -0.18 0.00 1.06 0.00 0.00 176.91 178.76 1uwd h PRO 56 N 3.73 -0.11 -1.37 0.00 0.13 -1.93 -3.31 132.00 129.14 1uwd h PRO 56 Ca 0.00 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.59 1uwd h PRO 56 Cb 0.18 0.02 -0.42 0.00 0.13 0.00 0.00 31.00 30.92 1uwd h PRO 56 CO 0.00 0.44 -0.81 1.47 -0.23 0.00 0.00 178.00 178.86 1uwd n LEU 57 N -4.84 4.18 -0.28 1.56 -0.00 -1.26 -4.94 117.00 111.41 1uwd n LEU 57 Ca -0.08 -4.92 0.06 0.00 -0.00 0.00 0.00 56.01 51.07 1uwd n LEU 57 Cb 0.29 -0.30 0.21 0.00 -0.00 0.00 0.00 43.42 43.62 1uwd n LEU 57 CO 0.28 2.11 1.08 0.00 -0.00 0.00 0.00 177.39 180.86 1uwd h ALA 58 N 2.62 1.20 -0.44 1.47 0.00 -1.95 0.44 119.26 122.60 1uwd h ALA 58 Ca 0.24 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1uwd h ALA 58 Cb 1.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1uwd h ALA 58 CO 0.78 -0.11 0.30 0.78 0.00 0.00 0.00 179.25 180.99 1uwd h GLY 59 N 0.58 0.32 0.84 0.00 0.00 -1.92 0.23 103.07 103.12 1uwd h GLY 59 Ca 0.44 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 1uwd h GLY 59 CO -0.36 0.07 -0.62 1.98 0.00 0.00 0.00 176.54 177.61 1uwd h MET 60 N 0.25 0.46 -0.24 4.80 -1.53 -1.34 -1.01 114.93 116.31 1uwd h MET 60 Ca 0.20 -0.46 0.02 0.00 -3.44 0.00 0.00 59.70 56.01 1uwd h MET 60 Cb 0.47 0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 1uwd h MET 60 CO -0.04 1.11 0.11 0.82 0.14 0.00 0.00 176.91 179.05 1uwd h ILE 61 N -0.02 0.98 -0.11 1.77 2.04 -1.08 -1.25 117.51 119.85 1uwd h ILE 61 Ca -0.07 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1uwd h ILE 61 Cb 1.31 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1uwd h ILE 61 CO 0.12 0.04 -0.18 -0.07 0.00 0.00 0.00 178.15 178.06 1uwd h LEU 62 N 0.23 0.18 -0.02 1.44 3.38 -0.59 0.41 115.31 120.34 1uwd h LEU 62 Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uwd h LEU 62 Cb 0.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1uwd h LEU 62 CO -0.08 0.37 -0.01 0.28 0.09 0.00 0.00 178.44 179.10 1uwd h SER 63 N 0.17 0.03 -0.48 -0.43 0.02 -0.88 -2.82 113.55 109.16 1uwd h SER 63 Ca 0.03 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1uwd h SER 63 Cb 0.43 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1uwd h SER 63 CO 0.03 0.42 0.27 -0.78 -1.14 0.00 0.00 176.83 175.62 1uwd h ASP 64 N -0.35 0.60 0.20 3.07 3.58 -0.55 0.22 116.42 123.18 1uwd h ASP 64 Ca 0.00 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.38 1uwd h ASP 64 Cb 0.40 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1uwd h ASP 64 CO 0.00 0.51 -0.32 0.00 -2.88 0.00 0.00 179.24 176.55 1uwd h ALA 65 N 1.11 -0.61 -0.85 -0.78 0.00 -1.05 -0.73 119.26 116.35 1uwd h ALA 65 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1uwd h ALA 65 Cb 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1uwd h ALA 65 CO -0.03 -0.89 0.55 1.49 0.00 0.00 0.00 179.25 180.37 1uwd h GLU 66 N -0.60 1.04 -0.15 0.00 4.81 -1.22 -1.43 114.58 117.03 1uwd h GLU 66 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1uwd h GLU 66 Cb 0.59 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1uwd h GLU 66 CO -0.14 0.69 0.04 1.49 -0.73 0.00 0.00 179.01 180.35 1uwd h GLU 67 N 1.07 0.21 0.07 1.92 4.81 0.06 0.16 114.58 122.89 1uwd h GLU 67 Ca 0.34 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1uwd h GLU 67 Cb 0.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1uwd h GLU 67 CO -0.11 0.20 -0.52 0.00 -0.73 0.00 0.00 179.01 177.85 1uwd h ALA 68 N 1.84 -0.04 -0.95 2.92 0.00 -0.82 -3.29 119.26 118.92 1uwd h ALA 68 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1uwd h ALA 68 Cb 0.08 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1uwd h ALA 68 CO -0.00 0.24 0.62 0.82 0.00 0.00 0.00 179.25 180.92 1uwd h ILE 69 N -0.51 1.15 0.00 0.00 2.04 -0.64 -2.23 117.51 117.32 1uwd h ILE 69 Ca -0.09 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1uwd h ILE 69 Cb 1.36 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1uwd h ILE 69 CO 0.10 0.22 0.00 2.29 0.00 0.00 0.00 178.15 180.75 1uwd n LYS 70 N -4.49 0.89 0.00 2.37 2.85 0.50 -3.42 118.16 116.86 1uwd n LYS 70 Ca 0.13 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.52 1uwd n LYS 70 Cb 0.10 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.25 1uwd n LYS 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1uwd n LYS 71 N -1.03 2.03 0.00 -1.58 2.85 -0.84 -4.59 118.16 115.00 1uwd n LYS 71 Ca 0.22 -1.51 0.05 0.00 -1.05 0.00 0.00 58.31 56.02 1uwd n LYS 71 Cb 0.11 -1.47 0.32 0.00 -0.65 0.00 0.00 35.03 33.35 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1uwd n ILE 72 N 0.83 0.00 -3.80 0.58 5.41 -1.22 -4.88 119.36 116.29 1uwd n ILE 72 Ca 0.16 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.66 1uwd n ILE 72 Cb 0.50 -0.32 0.03 0.00 -0.71 0.00 0.00 39.64 39.14 1uwd n ILE 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1uwd n GLU 73 N -0.71 -5.05 0.00 0.38 2.13 -1.26 -4.51 120.64 111.61 1uwd n GLU 73 Ca 0.08 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1uwd n GLU 73 Cb 0.04 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 26.49 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uwd n GLY 74 N -1.65 0.01 2.72 8.31 0.00 -1.26 -4.87 105.19 108.45 1uwd n GLY 74 Ca -0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1uwd n GLY 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1uwd n VAL 75 N -0.21 0.00 -0.07 1.61 3.14 -1.26 -4.65 118.33 116.89 1uwd n VAL 75 Ca 0.00 -0.04 -0.09 0.00 -2.96 0.00 0.00 64.34 61.24 1uwd n VAL 75 Cb 0.00 -0.49 -0.07 0.00 -1.06 0.00 0.00 33.84 32.23 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1uwd h ASN 76 N 6.19 -1.21 -2.05 6.55 -1.24 -1.65 -3.44 115.58 118.74 1uwd h ASN 76 Ca 0.01 0.15 -0.61 0.00 0.71 0.00 0.00 56.30 56.56 1uwd h ASN 76 Cb 0.07 0.49 -0.14 0.00 0.73 0.00 0.00 38.32 39.47 1uwd h ASN 76 CO 0.40 -0.28 -0.71 0.21 -1.29 0.00 0.00 177.43 175.76 1uwd s ASN 77 N -4.21 3.66 -0.42 1.15 2.47 -1.23 -5.01 114.94 111.36 1uwd s ASN 77 Ca -0.10 -1.14 0.04 0.00 0.42 0.00 0.00 52.86 52.08 1uwd s ASN 77 Cb 0.05 -0.33 0.17 0.00 -1.45 0.00 0.00 41.25 39.69 1uwd s ASN 77 CO 0.40 -0.13 0.34 -0.69 -3.72 0.00 0.00 177.10 173.30 1uwd s VAL 78 N -2.59 0.49 -1.22 -5.21 1.01 -1.26 -1.23 120.40 110.39 1uwd s VAL 78 Ca 0.32 -2.66 -0.13 0.00 0.00 0.00 0.00 61.98 59.51 1uwd s VAL 78 Cb 0.00 -1.35 0.17 0.00 0.00 0.00 0.00 36.38 35.20 1uwd s VAL 78 CO 0.16 -1.19 1.52 -0.62 0.00 0.00 0.00 175.10 174.96 1uwd n GLU 79 N 2.91 3.43 -2.66 2.72 -0.58 0.05 -4.94 120.64 121.57 1uwd n GLU 79 Ca 0.27 -3.81 -0.42 0.00 -0.42 0.00 0.00 57.16 52.79 1uwd n GLU 79 Cb 0.46 -3.01 -0.03 0.00 -0.57 0.00 0.00 31.44 28.29 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1uwd s VAL 80 N 1.27 3.97 0.29 2.62 1.01 -1.26 -2.49 120.40 125.81 1uwd s VAL 80 Ca 0.42 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 1uwd s VAL 80 Cb -0.01 -4.86 -0.09 0.00 0.00 0.00 0.00 36.38 31.43 1uwd s VAL 80 CO 0.00 -1.74 0.74 -0.70 0.00 0.00 0.00 175.10 173.41 1uwd s GLU 81 N 5.01 4.11 -0.30 2.72 2.56 -0.62 -5.00 118.70 127.17 1uwd s GLU 81 Ca 0.32 0.76 0.01 0.00 0.00 0.00 0.00 54.97 56.06 1uwd s GLU 81 Cb -0.09 -2.58 0.09 0.00 2.00 0.00 0.00 34.13 33.54 1uwd s GLU 81 CO 0.09 0.23 0.06 -1.17 -0.56 0.00 0.00 175.26 173.92 1uwd s LEU 82 N -2.62 2.96 -0.04 2.70 2.96 -1.26 -1.88 118.68 121.50 1uwd s LEU 82 Ca 0.50 -1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.42 1uwd s LEU 82 Cb -0.13 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1uwd s LEU 82 CO 0.19 -0.38 1.02 -0.89 -1.32 0.00 0.00 176.35 174.97 1uwd s THR 83 N 1.39 4.73 0.00 3.68 2.01 0.30 -4.90 115.64 122.85 1uwd s THR 83 Ca 0.08 1.97 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1uwd s THR 83 Cb -0.18 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1uwd s THR 83 CO -0.17 0.09 0.00 0.49 -0.69 0.00 0.00 174.62 174.34 1uwd n PHE 84 N 4.38 0.00 0.26 4.92 3.72 -1.26 -4.13 117.46 125.34 1uwd n PHE 84 Ca 0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1uwd n PHE 84 Cb 0.49 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.95 1uwd n PHE 84 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1uwd h ASP 85 N 0.00 -0.56 -3.96 4.37 1.82 -2.00 -3.45 116.42 112.64 1uwd h ASP 85 Ca 0.00 -0.06 -0.47 0.00 -0.39 0.00 0.00 57.03 56.11 1uwd h ASP 85 Cb 0.00 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1uwd h ASP 85 CO 0.00 -0.25 0.38 -2.16 -1.61 0.00 0.00 179.24 175.60 1uwd s PRO 86 N -5.17 4.25 0.19 0.28 0.04 -1.26 -5.00 135.00 128.33 1uwd s PRO 86 Ca -0.15 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 1uwd s PRO 86 Cb 0.03 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1uwd s PRO 86 CO 0.55 -0.04 1.38 -1.25 0.04 0.00 0.00 177.00 177.68 1uwd s PRO 87 N -2.54 4.33 0.00 0.56 0.04 -1.26 -5.00 135.00 131.13 1uwd s PRO 87 Ca 0.57 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1uwd s PRO 87 Cb -0.19 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1uwd s PRO 87 CO 0.24 -0.36 0.00 1.87 0.04 0.00 0.00 177.00 178.79 1uwd n TRP 88 N 3.00 0.00 0.00 0.56 -0.00 -1.26 -5.11 117.44 114.63 1uwd n TRP 88 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1uwd n TRP 88 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 1uwd n TRP 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1uwd n THR 89 N 0.00 0.00 0.39 5.87 -1.04 -1.26 -5.04 114.28 113.20 1uwd n THR 89 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1uwd n THR 89 Cb 0.00 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 68.98 1uwd n THR 89 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1uwd n PRO 90 N -0.14 0.17 -0.02 -2.82 -0.04 -1.26 -2.56 135.00 128.33 1uwd n PRO 90 Ca 0.00 0.42 0.17 0.00 -0.04 0.00 0.00 63.50 64.04 1uwd n PRO 90 Cb 0.00 -1.83 0.62 0.00 -0.04 0.00 0.00 33.50 32.24 1uwd n PRO 90 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uwd h GLU 91 N 0.00 0.14 0.00 0.54 3.07 -1.96 -3.30 114.58 113.07 1uwd h GLU 91 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1uwd h GLU 91 Cb 0.33 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1uwd h GLU 91 CO 0.00 0.09 0.00 0.54 -1.40 0.00 0.00 179.01 178.24 1uwd n ARG 92 N -4.43 0.19 -0.38 2.33 1.74 -1.06 -4.67 116.66 110.38 1uwd n ARG 92 Ca 0.09 0.35 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 1uwd n ARG 92 Cb 0.50 -1.81 0.26 0.00 -1.02 0.00 0.00 32.46 30.39 1uwd n ARG 92 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1uwd n MET 93 N -2.16 -3.49 -1.73 5.56 2.81 -1.25 -4.19 117.12 112.68 1uwd n MET 93 Ca 0.03 -1.02 -0.37 0.00 -1.81 0.00 0.00 57.70 54.53 1uwd n MET 93 Cb 0.27 -1.96 0.06 0.00 -0.71 0.00 0.00 33.22 30.88 1uwd n MET 93 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1uwd n SER 94 N -4.78 2.15 0.25 7.83 3.41 -1.26 -4.88 113.62 116.34 1uwd n SER 94 Ca 0.07 0.85 0.13 0.00 -0.26 0.00 0.00 58.87 59.66 1uwd n SER 94 Cb 0.56 -1.56 0.63 0.00 -0.26 0.00 0.00 64.21 63.59 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1uwd h PRO 95 N 0.68 0.00 -0.50 4.33 0.13 -1.94 -1.49 132.00 133.22 1uwd h PRO 95 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1uwd h PRO 95 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1uwd h PRO 95 CO 0.54 0.13 -0.15 1.49 -0.23 0.00 0.00 178.00 179.78 1uwd h GLU 96 N 0.00 0.96 0.00 0.86 4.81 -2.00 -2.62 114.58 116.59 1uwd h GLU 96 Ca -0.00 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1uwd h GLU 96 Cb 0.53 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1uwd h GLU 96 CO 0.02 1.04 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.92 1uwd h LEU 97 N 0.85 0.00 -0.96 1.64 3.38 -1.65 -2.67 115.31 115.90 1uwd h LEU 97 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1uwd h LEU 97 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1uwd h LEU 97 CO 0.05 0.34 0.53 0.03 0.09 0.00 0.00 178.44 179.48 1uwd h ARG 98 N 0.00 1.25 -0.29 1.13 3.08 -1.06 0.50 114.38 118.99 1uwd h ARG 98 Ca -0.00 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.76 1uwd h ARG 98 Cb 0.67 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1uwd h ARG 98 CO 0.04 0.89 -0.45 0.93 -1.07 0.00 0.00 179.97 180.32 1uwd h GLU 99 N 1.27 0.82 0.47 0.04 4.39 -1.47 0.19 114.58 120.29 1uwd h GLU 99 Ca 0.32 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1uwd h GLU 99 Cb -0.02 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1uwd h GLU 99 CO -0.06 1.13 -0.39 -0.22 -1.16 0.00 0.00 179.01 178.30 1uwd h LYS 100 N 0.59 -0.83 -0.09 2.33 3.64 -1.09 -3.22 116.57 117.91 1uwd h LYS 100 Ca 0.03 0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.22 1uwd h LYS 100 Cb 1.05 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1uwd h LYS 100 CO 0.10 -0.55 -0.89 0.74 -2.27 0.00 0.00 179.45 176.58 1uwd h PHE 101 N -0.86 1.05 -1.19 1.91 -1.00 -0.97 -3.49 116.94 112.40 1uwd h PHE 101 Ca -0.05 -0.51 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1uwd h PHE 101 Cb 0.74 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.16 1uwd h PHE 101 CO -0.18 1.34 0.00 0.41 -1.61 0.00 0.00 178.31 178.27 1uwd n GLY 102 N 0.85 0.44 0.00 -1.45 0.00 0.56 -5.09 105.19 100.51 1uwd n GLY 102 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1uwd n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65