#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd s SER 3 N 0.00 6.64 -0.13 7.83 0.01 -1.26 -4.73 113.70 122.06 1uwd s SER 3 Ca 0.00 2.43 -0.08 0.00 1.31 0.00 0.00 55.95 59.61 1uwd s SER 3 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1uwd s SER 3 CO 0.00 -0.87 0.16 1.17 0.41 0.00 0.00 173.24 174.11 1uwd n LYS 4 N 5.64 -0.45 -3.74 12.44 3.00 -1.26 -4.92 118.16 128.86 1uwd n LYS 4 Ca 0.16 0.31 -0.14 0.00 -0.00 0.00 0.00 58.31 58.64 1uwd n LYS 4 Cb 0.41 -0.50 -0.15 0.00 0.00 0.00 0.00 35.03 34.80 1uwd n LYS 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1uwd s LYS 5 N -1.06 0.09 0.33 1.64 -0.14 -1.26 -4.83 119.74 114.50 1uwd s LYS 5 Ca 0.07 0.38 0.08 0.00 -1.36 0.00 0.00 55.97 55.15 1uwd s LYS 5 Cb -0.01 -0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 35.91 1uwd s LYS 5 CO 0.22 -0.18 0.14 0.08 -0.76 0.00 0.00 175.35 174.85 1uwd s VAL 6 N 1.26 3.11 0.20 3.17 1.01 -1.26 -5.07 120.40 122.82 1uwd s VAL 6 Ca -0.08 -1.69 -0.07 0.00 0.00 0.00 0.00 61.98 60.14 1uwd s VAL 6 Cb -0.12 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1uwd s VAL 6 CO -0.06 -0.20 0.28 0.42 0.00 0.00 0.00 175.10 175.55 1uwd s THR 7 N -2.41 0.02 0.36 3.92 -4.23 -1.26 -4.92 115.64 107.13 1uwd s THR 7 Ca 0.37 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1uwd s THR 7 Cb -0.03 -2.21 0.22 0.00 1.34 0.00 0.00 72.50 71.82 1uwd s THR 7 CO 0.23 -0.10 1.96 0.07 -0.54 0.00 0.00 174.62 176.24 1uwd h LYS 8 N 2.49 0.63 -0.48 3.99 2.10 -1.93 -1.01 116.57 122.36 1uwd h LYS 8 Ca -0.31 -0.08 0.06 0.00 -2.00 0.00 0.00 60.65 58.32 1uwd h LYS 8 Cb 1.24 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.40 1uwd h LYS 8 CO 0.46 0.51 0.20 0.93 -2.00 0.00 0.00 179.45 179.55 1uwd h GLU 9 N 0.64 0.39 0.10 0.07 3.07 -1.96 -2.47 114.58 114.41 1uwd h GLU 9 Ca 0.16 -0.02 -0.26 0.00 -0.50 0.00 0.00 59.36 58.74 1uwd h GLU 9 Cb 0.10 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1uwd h GLU 9 CO -0.02 0.25 -1.18 0.22 -1.40 0.00 0.00 179.01 176.89 1uwd h ASP 10 N 0.40 0.37 -0.70 1.42 1.82 -1.72 -0.46 116.42 117.55 1uwd h ASP 10 Ca 0.22 -0.38 -0.03 0.00 -0.39 0.00 0.00 57.03 56.45 1uwd h ASP 10 Cb 0.20 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 1uwd h ASP 10 CO -0.20 1.29 0.32 0.58 -1.61 0.00 0.00 179.24 179.61 1uwd h VAL 11 N 0.07 1.24 0.24 2.25 2.07 -1.17 0.55 116.25 121.51 1uwd h VAL 11 Ca -0.11 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1uwd h VAL 11 Cb 1.90 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1uwd h VAL 11 CO 0.19 0.28 -0.12 -0.07 0.02 0.00 0.00 177.57 177.87 1uwd h LEU 12 N 0.98 -0.28 -1.17 2.57 3.38 -1.32 -1.57 115.31 117.90 1uwd h LEU 12 Ca 0.24 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1uwd h LEU 12 Cb 0.14 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1uwd h LEU 12 CO -0.03 -0.12 0.54 -1.13 0.09 0.00 0.00 178.44 177.80 1uwd h ASN 13 N -0.42 0.96 -0.05 -0.43 -0.73 -0.68 -1.98 115.58 112.25 1uwd h ASN 13 Ca -0.03 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.10 1uwd h ASN 13 Cb 0.32 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1uwd h ASN 13 CO 0.05 0.70 -0.01 0.00 -0.37 0.00 0.00 177.43 177.81 1uwd h ALA 14 N 1.47 0.06 0.00 1.57 0.00 0.18 -3.21 119.26 119.34 1uwd h ALA 14 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uwd h ALA 14 Cb -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uwd h ALA 14 CO -0.06 -0.25 -0.00 -0.07 0.00 0.00 0.00 179.25 178.86 1uwd h LEU 15 N -0.24 0.00 0.00 0.00 3.38 -0.54 -2.61 115.31 115.30 1uwd h LEU 15 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uwd h LEU 15 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1uwd h LEU 15 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1uwd n LYS 16 N -3.10 0.04 -0.02 1.13 5.02 -0.97 -1.70 118.16 118.55 1uwd n LYS 16 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1uwd n LYS 16 Cb 0.16 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.67 2.98 -4.54 4.39 3.02 -0.98 -4.89 115.26 114.57 1uwd n ASN 17 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1uwd n ASN 17 Cb 0.00 1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.33 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 -2.49 3.96 0.03 2.41 1.01 -0.69 -4.99 120.40 119.64 1uwd s VAL 18 Ca -0.03 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1uwd s VAL 18 Cb 0.05 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 1uwd s VAL 18 CO 0.36 -1.60 1.00 -0.63 0.00 0.00 0.00 175.10 174.23 1uwd s ILE 19 N 5.09 4.69 -0.11 2.22 -1.09 -1.26 -3.17 121.20 127.56 1uwd s ILE 19 Ca 0.34 1.99 -0.29 0.00 -2.23 0.00 0.00 60.65 60.46 1uwd s ILE 19 Cb -0.10 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 1uwd s ILE 19 CO 0.17 0.19 1.49 -0.62 -1.23 0.00 0.00 174.94 174.94 1uwd s ASP 20 N 0.79 6.76 0.58 3.58 -1.08 -0.07 -4.92 116.67 122.31 1uwd s ASP 20 Ca 0.52 1.97 0.36 0.00 -0.52 0.00 0.00 52.55 54.88 1uwd s ASP 20 Cb -0.23 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.37 1uwd s ASP 20 CO 0.29 -0.88 2.10 0.15 0.52 0.00 0.00 175.17 177.34 1uwd h PHE 21 N 9.08 0.00 0.04 -5.34 3.57 -1.95 -0.93 116.94 121.41 1uwd h PHE 21 Ca -0.34 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1uwd h PHE 21 Cb 1.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1uwd h PHE 21 CO 0.85 0.01 -0.02 1.49 -2.23 0.00 0.00 178.31 178.42 1uwd h GLU 22 N 0.00 -0.05 0.17 1.11 4.57 -1.96 -3.42 114.58 115.01 1uwd h GLU 22 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1uwd h GLU 22 Cb 0.36 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1uwd h GLU 22 CO 0.00 0.25 -0.08 1.25 -1.18 0.00 0.00 179.01 179.25 1uwd h LEU 23 N -1.00 -0.19 0.00 1.64 5.85 -1.93 -3.49 115.31 116.19 1uwd h LEU 23 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1uwd h LEU 23 Cb 0.31 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1uwd h LEU 23 CO 0.01 -0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.67 1uwd n GLY 24 N 0.38 1.71 3.15 3.75 0.00 -0.37 -5.07 105.19 108.73 1uwd n GLY 24 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.85 0.49 0.99 1.43 -1.26 -4.93 118.68 117.26 1uwd s LEU 25 Ca 0.00 -1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 1uwd s LEU 25 Cb 0.00 0.31 -0.05 0.00 0.03 0.00 0.00 46.19 46.48 1uwd s LEU 25 CO 0.00 -0.71 0.86 1.51 0.23 0.00 0.00 176.35 178.24 1uwd s ASP 26 N -3.03 6.39 0.47 2.29 1.47 -1.26 -0.89 116.67 122.11 1uwd s ASP 26 Ca 0.21 1.19 0.16 0.00 1.18 0.00 0.00 52.55 55.30 1uwd s ASP 26 Cb 0.07 -2.36 1.14 0.00 -0.34 0.00 0.00 42.92 41.43 1uwd s ASP 26 CO 0.00 -0.58 2.02 -0.37 0.68 0.00 0.00 175.17 176.91 1uwd h VAL 27 N 0.49 0.89 0.00 2.11 -1.51 -1.76 0.39 116.25 116.86 1uwd h VAL 27 Ca -0.46 -0.09 -0.19 0.00 -1.23 0.00 0.00 66.70 64.72 1uwd h VAL 27 Cb 1.19 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.93 1uwd h VAL 27 CO 0.62 0.05 -0.92 0.58 -1.23 0.00 0.00 177.57 176.67 1uwd h VAL 28 N 0.26 1.65 -0.19 7.19 2.07 -1.88 -1.15 116.25 124.20 1uwd h VAL 28 Ca 0.22 -3.13 -0.04 0.00 0.82 0.00 0.00 66.70 64.57 1uwd h VAL 28 Cb 0.52 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1uwd h VAL 28 CO -0.04 0.90 -0.02 0.28 0.02 0.00 0.00 177.57 178.70 1uwd h SER 29 N 0.00 0.36 -0.15 0.57 0.02 -1.55 -2.78 113.55 110.02 1uwd h SER 29 Ca -0.01 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1uwd h SER 29 Cb 1.63 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1uwd h SER 29 CO 0.12 0.61 0.10 0.25 -1.14 0.00 0.00 176.83 176.77 1uwd h LEU 30 N 0.09 0.10 -0.37 5.07 6.46 -1.01 -3.38 115.31 122.27 1uwd h LEU 30 Ca 0.05 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1uwd h LEU 30 Cb 0.45 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1uwd h LEU 30 CO 0.01 0.07 0.00 0.61 -0.62 0.00 0.00 178.44 178.52 1uwd n GLY 31 N -1.54 0.95 1.80 3.75 0.00 -0.88 -3.06 105.19 106.21 1uwd n GLY 31 Ca -0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.19 0.00 -0.02 0.99 4.77 -0.49 -4.97 117.00 117.09 1uwd n LEU 32 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1uwd n LEU 32 Cb 0.33 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1uwd n LEU 32 CO 0.00 -1.42 -0.01 0.55 -1.33 0.00 0.00 177.39 175.19 1uwd n VAL 33 N -3.47 -1.06 0.01 4.08 3.14 -1.26 -4.84 118.33 114.94 1uwd n VAL 33 Ca 0.08 0.03 -0.02 0.00 -2.96 0.00 0.00 64.34 61.47 1uwd n VAL 33 Cb 0.29 -0.54 -0.01 0.00 -1.06 0.00 0.00 33.84 32.52 1uwd n VAL 33 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1uwd n TYR 34 N -0.74 0.00 -4.46 1.45 4.01 -0.02 -5.00 117.16 112.40 1uwd n TYR 34 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1uwd n TYR 34 Cb 0.00 -0.10 -0.14 0.00 -0.31 0.00 0.00 39.34 38.79 1uwd n TYR 34 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1uwd s ASP 35 N -5.79 1.65 -0.33 7.72 1.11 -1.20 -5.01 116.67 114.82 1uwd s ASP 35 Ca -0.06 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.30 1uwd s ASP 35 Cb 0.01 -0.14 0.14 0.00 1.07 0.00 0.00 42.92 44.00 1uwd s ASP 35 CO 0.09 0.09 0.28 -0.63 1.18 0.00 0.00 175.17 176.17 1uwd s ILE 36 N -0.63 -0.22 -0.23 0.77 1.01 -1.26 -1.90 121.20 118.74 1uwd s ILE 36 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1uwd s ILE 36 Cb -0.07 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1uwd s ILE 36 CO 0.01 -0.65 -0.13 -1.10 0.00 0.00 0.00 174.94 173.07 1uwd s GLN 37 N 1.75 2.33 -0.28 2.79 -0.21 -0.16 -4.70 119.66 121.18 1uwd s GLN 37 Ca 0.14 -1.09 -0.00 0.00 0.02 0.00 0.00 55.36 54.42 1uwd s GLN 37 Cb -0.17 -2.69 0.08 0.00 1.00 0.00 0.00 33.01 31.24 1uwd s GLN 37 CO -0.17 -0.46 0.04 0.42 -2.12 0.00 0.00 175.29 173.00 1uwd s ILE 38 N 1.23 1.18 0.44 1.08 1.01 -1.26 -1.04 121.20 123.84 1uwd s ILE 38 Ca -0.04 -1.35 -0.07 0.00 0.00 0.00 0.00 60.65 59.19 1uwd s ILE 38 Cb -0.17 -1.74 0.10 0.00 0.01 0.00 0.00 42.46 40.66 1uwd s ILE 38 CO -0.08 -0.44 0.59 -0.67 0.00 0.00 0.00 174.94 174.34 1uwd n ASP 39 N 4.75 -0.00 -0.38 3.58 -0.08 -1.09 -4.86 116.55 118.46 1uwd n ASP 39 Ca -0.05 -1.20 0.14 0.00 -1.51 0.00 0.00 54.79 52.17 1uwd n ASP 39 Cb 0.43 -0.45 0.54 0.00 2.34 0.00 0.00 41.12 43.98 1uwd n ASP 39 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1uwd n ASP 40 N -3.40 1.24 -1.62 1.67 8.00 -1.26 -1.24 116.55 119.95 1uwd n ASP 40 Ca 0.07 -1.31 0.06 0.00 0.71 0.00 0.00 54.79 54.33 1uwd n ASP 40 Cb 0.26 0.02 0.33 0.00 -0.02 0.00 0.00 41.12 41.71 1uwd n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uwd n GLN 41 N -0.12 4.13 -4.36 -1.24 1.13 -1.26 -4.94 117.38 110.72 1uwd n GLN 41 Ca 0.18 -2.58 -0.39 0.00 -1.94 0.00 0.00 57.00 52.27 1uwd n GLN 41 Cb 0.33 -2.10 -0.05 0.00 0.11 0.00 0.00 30.24 28.53 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 0.56 -2.70 -4.56 1.08 3.02 -0.37 -4.45 115.26 107.84 1uwd n ASN 42 Ca 0.23 -1.11 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 1uwd n ASN 42 Cb 1.01 -2.27 -0.04 0.00 -0.61 0.00 0.00 39.78 37.86 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 -3.27 5.67 -0.29 6.41 0.02 -1.26 -2.74 114.94 119.48 1uwd s ASN 43 Ca 0.78 -0.85 -0.29 0.00 -1.02 0.00 0.00 52.86 51.49 1uwd s ASN 43 Cb -0.44 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.27 1uwd s ASN 43 CO 0.97 -2.25 1.31 -0.69 0.02 0.00 0.00 177.10 176.46 1uwd s VAL 44 N 8.04 4.13 -0.14 1.60 1.01 -0.42 -2.68 120.40 131.94 1uwd s VAL 44 Ca 0.60 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1uwd s VAL 44 Cb -0.05 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1uwd s VAL 44 CO -0.01 -0.46 -0.15 -0.75 0.00 0.00 0.00 175.10 173.73 1uwd s LYS 45 N 4.16 2.31 -0.05 2.72 2.20 -0.21 -0.72 119.74 130.16 1uwd s LYS 45 Ca 0.57 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1uwd s LYS 45 Cb -0.17 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.10 1uwd s LYS 45 CO 0.23 -0.20 0.05 0.08 -0.36 0.00 0.00 175.35 175.16 1uwd s VAL 46 N 1.37 -0.04 -0.67 4.02 1.01 -0.60 -0.99 120.40 124.50 1uwd s VAL 46 Ca 0.02 0.37 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 1uwd s VAL 46 Cb -0.13 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1uwd s VAL 46 CO -0.09 0.18 1.28 -0.76 0.00 0.00 0.00 175.10 175.71 1uwd s LEU 47 N 2.14 3.27 0.00 3.92 1.02 -0.80 -0.75 118.68 127.49 1uwd s LEU 47 Ca 0.05 -0.20 0.04 0.00 0.02 0.00 0.00 54.13 54.04 1uwd s LEU 47 Cb -0.12 -2.78 0.04 0.00 0.02 0.00 0.00 46.19 43.34 1uwd s LEU 47 CO -0.03 -1.74 0.33 0.80 0.02 0.00 0.00 176.35 175.73 1uwd n MET 48 N 9.03 0.91 -3.92 1.70 1.56 -0.75 -0.84 117.12 124.82 1uwd n MET 48 Ca 0.06 -1.74 -0.10 0.00 -0.27 0.00 0.00 57.70 55.65 1uwd n MET 48 Cb 0.49 0.02 -0.01 0.00 2.15 0.00 0.00 33.22 35.86 1uwd n MET 48 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1uwd s THR 49 N -1.16 0.00 0.33 1.12 -1.32 -1.26 -0.72 115.64 112.63 1uwd s THR 49 Ca 0.25 -1.21 0.08 0.00 -1.21 0.00 0.00 61.69 59.60 1uwd s THR 49 Cb -0.02 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1uwd s THR 49 CO 0.16 0.00 0.15 -0.04 -2.21 0.00 0.00 174.62 172.68 1uwd s MET 50 N -3.16 2.43 0.16 7.08 -1.94 -1.26 -4.76 119.30 117.85 1uwd s MET 50 Ca 0.19 -1.49 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 1uwd s MET 50 Cb -0.03 -2.23 0.07 0.00 2.01 0.00 0.00 34.83 34.65 1uwd s MET 50 CO 0.12 0.14 1.75 0.00 -0.01 0.00 0.00 175.02 177.02 1uwd h THR 51 N 1.54 0.87 -3.68 2.05 1.03 -2.00 -3.45 112.91 109.27 1uwd h THR 51 Ca -0.44 -0.09 -0.17 0.00 -0.01 0.00 0.00 66.41 65.70 1uwd h THR 51 Cb 1.25 0.59 -0.22 0.00 -1.07 0.00 0.00 68.15 68.70 1uwd h THR 51 CO 0.62 0.05 -0.60 0.42 -0.01 0.00 0.00 175.52 176.00 1uwd s THR 52 N -6.16 0.07 0.29 0.00 -4.23 -1.26 -4.80 115.64 99.55 1uwd s THR 52 Ca -0.13 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1uwd s THR 52 Cb 0.12 -0.30 0.07 0.00 1.34 0.00 0.00 72.50 73.73 1uwd s THR 52 CO 0.71 -0.33 1.73 1.55 -0.54 0.00 0.00 174.62 177.74 1uwd h PRO 53 N 4.84 0.41 -0.64 3.99 0.13 -1.99 -3.34 132.00 135.41 1uwd h PRO 53 Ca -0.30 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1uwd h PRO 53 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1uwd h PRO 53 CO 0.42 0.66 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1uwd n MET 54 N -4.11 0.70 -0.73 0.86 0.00 -1.26 -4.91 117.12 107.68 1uwd n MET 54 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.37 1uwd n MET 54 Cb 0.41 -1.32 0.15 0.00 0.00 0.00 0.00 33.22 32.46 1uwd n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uwd h PRO 56 N -1.79 -0.15 -1.43 0.00 0.13 -1.97 -3.35 132.00 123.43 1uwd h PRO 56 Ca -0.46 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 1uwd h PRO 56 Cb 1.30 0.03 -0.42 0.00 0.13 0.00 0.00 31.00 32.05 1uwd h PRO 56 CO 0.37 0.32 -0.81 1.47 -0.23 0.00 0.00 178.00 179.13 1uwd n LEU 57 N -4.87 4.17 -0.35 1.56 -0.00 -1.26 -4.90 117.00 111.36 1uwd n LEU 57 Ca -0.07 -4.97 0.12 0.00 -0.00 0.00 0.00 56.01 51.08 1uwd n LEU 57 Cb 0.27 -0.31 0.30 0.00 -0.00 0.00 0.00 43.42 43.68 1uwd n LEU 57 CO 0.25 2.13 1.18 0.00 -0.00 0.00 0.00 177.39 180.95 1uwd h ALA 58 N 2.65 1.60 0.00 1.47 0.00 -1.91 -1.04 119.26 122.02 1uwd h ALA 58 Ca 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1uwd h ALA 58 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1uwd h ALA 58 CO 0.79 -0.03 -0.05 0.78 0.00 0.00 0.00 179.25 180.74 1uwd h GLY 59 N 0.77 0.00 0.25 0.00 0.00 -1.93 0.10 103.07 102.26 1uwd h GLY 59 Ca 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 1uwd h GLY 59 CO -0.37 0.00 -0.03 1.98 0.00 0.00 0.00 176.54 178.12 1uwd h MET 60 N 0.00 -0.09 -0.64 4.80 -1.53 -1.62 -2.99 114.93 112.87 1uwd h MET 60 Ca -0.00 0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.34 1uwd h MET 60 Cb 0.10 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.13 1uwd h MET 60 CO 0.01 0.50 0.42 0.82 0.14 0.00 0.00 176.91 178.80 1uwd h ILE 61 N -0.84 0.97 -0.47 1.77 2.04 -1.20 0.11 117.51 119.89 1uwd h ILE 61 Ca -0.01 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1uwd h ILE 61 Cb 0.62 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1uwd h ILE 61 CO 0.01 0.11 -0.20 -0.07 0.00 0.00 0.00 178.15 178.00 1uwd h LEU 62 N 0.58 0.97 -0.44 1.44 3.38 -1.09 -1.48 115.31 118.67 1uwd h LEU 62 Ca 0.28 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1uwd h LEU 62 Cb 0.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1uwd h LEU 62 CO -0.09 1.13 -0.60 -1.28 0.09 0.00 0.00 178.44 177.70 1uwd h SER 63 N 0.83 0.67 -0.95 -0.43 0.87 -0.98 -3.15 113.55 110.40 1uwd h SER 63 Ca 0.11 -0.38 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1uwd h SER 63 Cb 0.76 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 1uwd h SER 63 CO 0.06 1.11 0.63 -0.78 -0.53 0.00 0.00 176.83 177.33 1uwd h ASP 64 N 0.44 1.10 0.04 6.23 3.58 -0.70 0.47 116.42 127.57 1uwd h ASP 64 Ca -0.00 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.44 1uwd h ASP 64 Cb 1.16 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 1uwd h ASP 64 CO 0.11 0.79 -0.18 0.00 -2.88 0.00 0.00 179.24 177.09 1uwd h ALA 65 N 1.41 -0.24 -0.74 -0.78 0.00 -1.26 -2.17 119.26 115.47 1uwd h ALA 65 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1uwd h ALA 65 Cb -0.15 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1uwd h ALA 65 CO -0.08 -0.68 0.49 1.49 0.00 0.00 0.00 179.25 180.47 1uwd h GLU 66 N -0.30 0.98 -0.75 0.00 4.81 -1.30 -2.14 114.58 115.88 1uwd h GLU 66 Ca 0.04 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1uwd h GLU 66 Cb 0.36 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1uwd h GLU 66 CO -0.14 0.65 0.49 1.49 -0.73 0.00 0.00 179.01 180.77 1uwd h GLU 67 N 1.01 0.78 -0.17 1.92 4.81 -0.32 0.23 114.58 122.84 1uwd h GLU 67 Ca 0.27 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1uwd h GLU 67 Cb -0.11 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1uwd h GLU 67 CO -0.06 0.52 -0.33 0.00 -0.73 0.00 0.00 179.01 178.41 1uwd h ALA 68 N 1.59 0.26 0.10 2.92 0.00 -0.93 -2.98 119.26 120.22 1uwd h ALA 68 Ca 0.32 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uwd h ALA 68 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uwd h ALA 68 CO -0.11 0.31 -0.05 0.82 0.00 0.00 0.00 179.25 180.22 1uwd h ILE 69 N 0.15 0.95 0.00 0.00 2.04 -0.81 -2.95 117.51 116.90 1uwd h ILE 69 Ca 0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1uwd h ILE 69 Cb 0.93 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1uwd h ILE 69 CO 0.07 0.05 0.00 2.29 0.00 0.00 0.00 178.15 180.56 1uwd n LYS 70 N -5.11 0.69 -0.10 2.37 2.85 0.75 -2.92 118.16 116.70 1uwd n LYS 70 Ca -0.08 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.30 1uwd n LYS 70 Cb 0.12 -1.46 0.27 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.96 2.17 -0.10 -1.58 2.85 -1.11 -4.39 118.16 115.04 1uwd n LYS 71 Ca 0.15 -1.74 0.03 0.00 -1.05 0.00 0.00 58.31 55.69 1uwd n LYS 71 Cb 0.07 -1.47 0.08 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.00 0.27 -4.33 0.58 5.41 -1.15 -4.92 119.36 116.23 1uwd n ILE 72 Ca 0.17 -0.23 -0.36 0.00 1.00 0.00 0.00 62.75 63.33 1uwd n ILE 72 Cb 0.50 0.04 -0.06 0.00 -0.71 0.00 0.00 39.64 39.41 1uwd n ILE 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1uwd n GLU 73 N 0.00 -1.79 0.00 0.38 0.28 -1.26 -4.33 120.64 113.91 1uwd n GLU 73 Ca 0.06 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1uwd n GLU 73 Cb 0.18 -4.53 0.00 0.00 1.43 0.00 0.00 31.44 28.52 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uwd n GLY 74 N -1.64 -0.22 1.84 -1.84 0.00 -1.26 -4.90 105.19 97.16 1uwd n GLY 74 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.87 0.00 0.01 1.61 3.14 -1.26 -4.70 118.33 115.26 1uwd n VAL 75 Ca 0.00 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.22 1uwd n VAL 75 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 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 3.80 -0.92 -4.09 6.55 -1.24 -1.74 -3.44 115.58 114.50 1uwd h ASN 76 Ca 0.00 0.13 -0.46 0.00 0.71 0.00 0.00 56.30 56.69 1uwd h ASN 76 Cb 0.06 0.39 -0.20 0.00 0.73 0.00 0.00 38.32 39.30 1uwd h ASN 76 CO 0.06 -0.35 -0.78 0.21 -1.29 0.00 0.00 177.43 175.28 1uwd s ASN 77 N -4.92 2.14 -0.24 1.15 2.47 -1.20 -5.05 114.94 109.28 1uwd s ASN 77 Ca -0.15 -0.75 -0.04 0.00 0.42 0.00 0.00 52.86 52.34 1uwd s ASN 77 Cb 0.10 -0.09 0.08 0.00 -1.45 0.00 0.00 41.25 39.89 1uwd s ASN 77 CO 0.66 -0.07 0.10 -0.69 -3.72 0.00 0.00 177.10 173.37 1uwd s VAL 78 N -1.76 0.18 -0.68 -5.21 1.01 -1.26 -1.30 120.40 111.39 1uwd s VAL 78 Ca 0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1uwd s VAL 78 Cb -0.07 -0.99 0.17 0.00 0.00 0.00 0.00 36.38 35.49 1uwd s VAL 78 CO 0.04 -0.51 0.50 -1.61 0.00 0.00 0.00 175.10 173.51 1uwd s GLU 79 N 1.99 2.66 -0.41 2.72 0.41 0.10 -5.01 118.70 121.15 1uwd s GLU 79 Ca 0.05 -2.74 -0.15 0.00 -0.41 0.00 0.00 54.97 51.73 1uwd s GLU 79 Cb -0.16 -3.73 0.03 0.00 -1.78 0.00 0.00 34.13 28.48 1uwd s GLU 79 CO -0.23 -1.19 0.30 0.08 -0.49 0.00 0.00 175.26 173.73 1uwd s VAL 80 N -0.42 5.20 0.37 2.63 1.01 -1.26 -1.55 120.40 126.38 1uwd s VAL 80 Ca 0.19 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1uwd s VAL 80 Cb -0.17 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1uwd s VAL 80 CO -0.05 -0.33 0.91 -1.61 0.00 0.00 0.00 175.10 174.01 1uwd s GLU 81 N 1.67 4.31 -0.42 2.72 8.01 0.07 -5.00 118.70 130.06 1uwd s GLU 81 Ca 0.05 1.11 0.02 0.00 0.01 0.00 0.00 54.97 56.16 1uwd s GLU 81 Cb -0.19 -2.45 0.13 0.00 -4.31 0.00 0.00 34.13 27.30 1uwd s GLU 81 CO 0.09 0.12 0.21 -1.17 0.01 0.00 0.00 175.26 174.52 1uwd s LEU 82 N -2.73 3.01 -0.74 1.80 2.96 -1.26 -1.80 118.68 119.91 1uwd s LEU 82 Ca 0.56 -2.50 -0.18 0.00 -0.22 0.00 0.00 54.13 51.79 1uwd s LEU 82 Cb -0.13 -1.14 0.14 0.00 0.50 0.00 0.00 46.19 45.56 1uwd s LEU 82 CO 0.17 -0.29 0.84 -0.89 -1.32 0.00 0.00 176.35 174.87 1uwd s THR 83 N 0.49 4.97 -0.52 3.68 2.01 0.11 -4.85 115.64 121.52 1uwd s THR 83 Ca 0.16 -1.49 0.23 0.00 0.31 0.00 0.00 61.69 60.89 1uwd s THR 83 Cb -0.23 -4.57 -0.09 0.00 0.01 0.00 0.00 72.50 67.61 1uwd s THR 83 CO -0.04 -1.22 1.03 0.49 -0.69 0.00 0.00 174.62 174.19 1uwd n PHE 84 N 5.86 0.38 0.24 4.92 3.72 -1.26 -4.37 117.46 126.95 1uwd n PHE 84 Ca 0.06 0.11 -0.15 0.00 -0.05 0.00 0.00 57.45 57.41 1uwd n PHE 84 Cb 0.45 -0.54 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 1uwd n PHE 84 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1uwd h ASP 85 N 0.00 -0.73 -3.85 4.37 3.32 -2.00 -3.41 116.42 114.13 1uwd h ASP 85 Ca 0.00 0.05 -0.50 0.00 0.02 0.00 0.00 57.03 56.60 1uwd h ASP 85 Cb 0.79 0.23 0.02 0.00 0.22 0.00 0.00 39.33 40.59 1uwd h ASP 85 CO 0.00 -0.43 0.47 -2.16 -1.72 0.00 0.00 179.24 175.40 1uwd s PRO 86 N -6.06 4.51 0.13 3.56 0.04 -1.26 -5.01 135.00 130.91 1uwd s PRO 86 Ca -0.16 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 1uwd s PRO 86 Cb 0.05 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 1uwd s PRO 86 CO 0.63 0.10 1.30 -1.25 0.04 0.00 0.00 177.00 177.82 1uwd s PRO 87 N -1.70 4.39 0.00 0.56 0.04 -1.26 -5.01 135.00 132.01 1uwd s PRO 87 Ca 0.48 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1uwd s PRO 87 Cb -0.30 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1uwd s PRO 87 CO 0.39 -0.30 0.00 1.87 0.04 0.00 0.00 177.00 179.00 1uwd n TRP 88 N 3.41 0.00 0.00 0.56 -0.00 -1.26 -5.08 117.44 115.07 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.75 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 0.25 5.87 -1.04 -1.26 -5.06 114.28 113.03 1uwd n THR 89 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1uwd n THR 89 Cb 0.00 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.07 1uwd n THR 89 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1uwd h PRO 90 N 0.00 0.00 0.00 -2.82 0.13 -1.98 -2.81 132.00 124.52 1uwd h PRO 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uwd h PRO 90 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uwd h PRO 90 CO 0.00 0.11 0.00 -0.85 -0.23 0.00 0.00 178.00 177.03 1uwd n GLU 91 N -3.26 0.02 0.06 0.86 0.28 -1.26 -2.73 120.64 114.61 1uwd n GLU 91 Ca 0.00 0.38 0.08 0.00 -0.16 0.00 0.00 57.16 57.46 1uwd n GLU 91 Cb 0.37 -1.55 0.52 0.00 1.43 0.00 0.00 31.44 32.21 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uwd h ARG 92 N 0.00 0.31 -7.23 3.44 2.47 -1.74 -3.44 114.38 108.19 1uwd h ARG 92 Ca 0.00 -0.02 -0.48 0.00 -1.26 0.00 0.00 59.98 58.22 1uwd h ARG 92 Cb 0.15 -0.07 0.19 0.00 -1.65 0.00 0.00 29.97 28.59 1uwd h ARG 92 CO 0.00 0.21 0.15 -1.64 0.56 0.00 0.00 179.97 179.25 1uwd s MET 93 N -5.32 0.33 0.62 0.04 -1.94 -1.11 -4.51 119.30 107.42 1uwd s MET 93 Ca -0.07 1.15 -0.18 0.00 -1.71 0.00 0.00 55.69 54.88 1uwd s MET 93 Cb 0.18 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 1uwd s MET 93 CO 0.72 -2.97 0.93 0.43 -0.01 0.00 0.00 175.02 174.11 1uwd n SER 94 N -4.43 0.57 0.11 3.03 7.64 -1.26 -4.76 113.62 114.52 1uwd n SER 94 Ca 0.08 0.77 0.03 0.00 1.01 0.00 0.00 58.87 60.76 1uwd n SER 94 Cb 0.53 -1.38 0.41 0.00 -1.01 0.00 0.00 64.21 62.77 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1uwd h PRO 95 N 0.32 0.28 -0.54 1.43 0.13 -1.92 -0.05 132.00 131.65 1uwd h PRO 95 Ca -0.48 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1uwd h PRO 95 Cb 1.36 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1uwd h PRO 95 CO 0.50 0.35 0.36 1.49 -0.23 0.00 0.00 178.00 180.46 1uwd h GLU 96 N 0.27 0.51 0.16 0.86 4.57 -1.97 -1.35 114.58 117.63 1uwd h GLU 96 Ca 0.06 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.89 1uwd h GLU 96 Cb 0.27 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1uwd h GLU 96 CO 0.01 0.34 -1.51 -0.07 -1.18 0.00 0.00 179.01 176.60 1uwd h LEU 97 N 0.53 0.53 -1.68 1.64 3.38 -1.36 -3.07 115.31 115.28 1uwd h LEU 97 Ca 0.23 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1uwd h LEU 97 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1uwd h LEU 97 CO -0.06 1.55 0.12 0.03 0.09 0.00 0.00 178.44 180.17 1uwd h ARG 98 N 0.09 0.33 0.00 1.13 -0.00 -1.04 0.12 114.38 115.01 1uwd h ARG 98 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1uwd h ARG 98 Cb 2.06 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.96 1uwd h ARG 98 CO 0.20 0.25 0.00 0.39 0.00 0.00 0.00 179.97 180.81 1uwd n GLU 99 N -4.46 0.38 -0.03 0.04 -0.58 -0.54 -3.95 120.64 111.50 1uwd n GLU 99 Ca 0.01 0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.74 1uwd n GLU 99 Cb 0.10 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1uwd n GLU 99 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1uwd n LYS 100 N -1.19 0.21 -0.98 3.49 4.81 -0.20 -5.05 118.16 119.24 1uwd n LYS 100 Ca 0.11 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.35 1uwd n LYS 100 Cb 0.12 -0.86 0.21 0.00 0.02 0.00 0.00 35.03 34.52 1uwd n LYS 100 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1uwd s PHE 101 N -2.27 1.52 -0.74 5.64 0.40 0.24 -5.01 117.98 117.77 1uwd s PHE 101 Ca -0.13 0.90 0.04 0.00 -0.60 0.00 0.00 56.93 57.13 1uwd s PHE 101 Cb 0.04 -3.25 0.26 0.00 0.51 0.00 0.00 43.02 40.58 1uwd s PHE 101 CO 0.17 -3.42 0.92 0.41 0.70 0.00 0.00 175.22 174.00 1uwd n GLY 102 N -0.55 4.92 0.00 4.36 0.00 -1.26 -4.86 105.19 107.80 1uwd n GLY 102 Ca 0.06 -2.75 0.01 0.00 0.00 0.00 0.00 46.02 43.34 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70