#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 -4.13 -4.90 7.83 2.88 -1.26 -4.98 113.62 109.06 1uwd n SER 3 Ca 0.00 0.48 -0.20 0.00 -1.33 0.00 0.00 58.87 57.82 1uwd n SER 3 Cb 0.00 -2.22 -0.02 0.00 -0.75 0.00 0.00 64.21 61.22 1uwd n SER 3 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1uwd s LYS 4 N -2.56 2.63 0.45 -1.46 -2.85 -1.26 -5.02 119.74 109.67 1uwd s LYS 4 Ca 0.00 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 1uwd s LYS 4 Cb 0.00 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1uwd s LYS 4 CO 0.00 -0.15 0.00 0.36 0.10 0.00 0.00 175.35 175.66 1uwd n LYS 5 N -1.57 -2.48 -4.38 1.78 2.85 -1.26 -5.05 118.16 108.04 1uwd n LYS 5 Ca 0.03 2.01 -0.24 0.00 -1.05 0.00 0.00 58.31 59.06 1uwd n LYS 5 Cb 0.61 -2.91 -0.11 0.00 -0.65 0.00 0.00 35.03 31.96 1uwd n LYS 5 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1uwd s VAL 6 N -3.82 2.10 0.15 0.58 1.01 -1.26 -4.94 120.40 114.21 1uwd s VAL 6 Ca 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 61.98 59.96 1uwd s VAL 6 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1uwd s VAL 6 CO 0.00 -0.22 0.14 0.42 0.00 0.00 0.00 175.10 175.44 1uwd s THR 7 N -1.87 0.08 0.53 3.92 -4.23 -1.26 -4.91 115.64 107.89 1uwd s THR 7 Ca 0.19 -1.76 0.20 0.00 -1.18 0.00 0.00 61.69 59.14 1uwd s THR 7 Cb -0.07 -2.03 0.32 0.00 1.34 0.00 0.00 72.50 72.06 1uwd s THR 7 CO 0.08 -0.37 2.10 0.07 -0.54 0.00 0.00 174.62 175.96 1uwd h LYS 8 N 2.74 0.00 -0.22 3.99 2.10 -1.95 -1.85 116.57 121.38 1uwd h LYS 8 Ca -0.34 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.13 1uwd h LYS 8 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1uwd h LYS 8 CO 0.55 0.00 -0.60 1.49 -2.00 0.00 0.00 179.45 178.89 1uwd h GLU 9 N 0.00 0.73 0.01 0.07 4.81 -1.97 -0.92 114.58 117.32 1uwd h GLU 9 Ca 0.09 -0.49 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1uwd h GLU 9 Cb 0.37 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1uwd h GLU 9 CO -0.00 1.12 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.95 1uwd h ASP 10 N 0.55 -0.01 -0.53 1.04 5.19 -1.87 -2.19 116.42 118.60 1uwd h ASP 10 Ca -0.00 -0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.30 1uwd h ASP 10 Cb 1.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 1uwd h ASP 10 CO 0.12 0.16 0.35 0.58 -3.12 0.00 0.00 179.24 177.34 1uwd h VAL 11 N -0.19 0.98 0.03 -1.35 2.07 -1.10 0.25 116.25 116.94 1uwd h VAL 11 Ca -0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1uwd h VAL 11 Cb 0.18 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1uwd h VAL 11 CO 0.00 0.09 -0.01 -0.07 0.02 0.00 0.00 177.57 177.59 1uwd h LEU 12 N 0.48 -0.04 -2.17 2.57 3.38 -1.09 -2.56 115.31 115.88 1uwd h LEU 12 Ca 0.23 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1uwd h LEU 12 Cb 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1uwd h LEU 12 CO -0.06 0.53 -0.07 0.78 0.09 0.00 0.00 178.44 179.71 1uwd h ASN 13 N -0.62 0.00 -0.03 -0.43 2.35 -0.63 -2.43 115.58 113.79 1uwd h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1uwd h ASN 13 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1uwd h ASN 13 CO 0.01 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 1uwd n ALA 14 N -2.26 2.46 0.54 -0.83 0.00 0.77 -3.64 120.51 117.55 1uwd n ALA 14 Ca -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 52.84 1uwd n ALA 14 Cb 0.18 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 18.88 1uwd n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uwd n LEU 15 N 1.34 0.63 -0.91 0.00 4.77 -0.92 -4.56 117.00 117.35 1uwd n LEU 15 Ca 0.14 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1uwd n LEU 15 Cb 0.59 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1uwd n LEU 15 CO 0.15 0.01 0.15 0.29 -1.33 0.00 0.00 177.39 176.66 1uwd n LYS 16 N -2.03 0.33 0.00 3.23 5.02 -1.21 -1.46 118.16 122.04 1uwd n LYS 16 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1uwd n LYS 16 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1uwd n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uwd n ASN 17 N 0.75 0.00 -4.16 4.39 0.23 -1.26 -4.99 115.26 110.22 1uwd n ASN 17 Ca 0.00 -0.72 -0.43 0.00 -0.53 0.00 0.00 54.58 52.90 1uwd n ASN 17 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1uwd n ASN 17 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1uwd n VAL 18 N 0.00 4.32 -2.66 3.53 0.31 -0.54 -4.97 118.33 118.33 1uwd n VAL 18 Ca 0.00 -4.59 -0.43 0.00 -0.01 0.00 0.00 64.34 59.31 1uwd n VAL 18 Cb 0.18 -2.41 -0.02 0.00 -0.91 0.00 0.00 33.84 30.68 1uwd n VAL 18 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1uwd s ILE 19 N 0.90 4.68 -0.41 2.52 -1.09 -1.26 -3.64 121.20 122.90 1uwd s ILE 19 Ca 0.41 2.02 -0.27 0.00 -2.23 0.00 0.00 60.65 60.58 1uwd s ILE 19 Cb 0.03 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1uwd s ILE 19 CO 0.00 -0.17 1.02 -0.62 -1.23 0.00 0.00 174.94 173.95 1uwd s ASP 20 N 1.20 6.69 0.39 3.58 3.68 -0.70 -4.90 116.67 126.61 1uwd s ASP 20 Ca 0.44 0.57 0.25 0.00 2.13 0.00 0.00 52.55 55.95 1uwd s ASP 20 Cb -0.15 -2.50 1.39 0.00 -1.45 0.00 0.00 42.92 40.20 1uwd s ASP 20 CO 0.07 -1.01 1.77 -0.26 0.13 0.00 0.00 175.17 175.87 1uwd h PHE 21 N 8.72 0.00 -0.51 -5.34 0.04 -1.94 0.11 116.94 118.02 1uwd h PHE 21 Ca -0.23 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1uwd h PHE 21 Cb 1.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.19 1uwd h PHE 21 CO 0.88 0.00 0.24 1.49 -0.60 0.00 0.00 178.31 180.32 1uwd h GLU 22 N 0.00 0.72 0.00 1.51 4.22 -1.96 -3.41 114.58 115.67 1uwd h GLU 22 Ca 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1uwd h GLU 22 Cb 0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1uwd h GLU 22 CO 0.00 0.57 -0.03 -0.11 -2.18 0.00 0.00 179.01 177.26 1uwd n LEU 23 N -4.37 0.00 0.00 1.64 0.00 -0.69 -5.07 117.00 108.51 1uwd n LEU 23 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1uwd n LEU 23 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1uwd n LEU 23 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.37 1uwd n GLY 24 N 0.29 1.08 3.22 -3.96 0.00 0.31 -5.06 105.19 101.07 1uwd n GLY 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 1.46 0.43 0.99 2.01 -1.25 -4.88 118.68 117.45 1uwd s LEU 25 Ca 0.00 -1.33 -0.00 0.00 0.01 0.00 0.00 54.13 52.80 1uwd s LEU 25 Cb 0.00 0.25 -0.01 0.00 0.01 0.00 0.00 46.19 46.44 1uwd s LEU 25 CO 0.00 -0.77 0.66 1.51 1.01 0.00 0.00 176.35 178.76 1uwd s ASP 26 N -3.17 5.97 0.33 2.29 1.47 -1.26 -1.72 116.67 120.59 1uwd s ASP 26 Ca 0.34 0.40 0.03 0.00 1.18 0.00 0.00 52.55 54.50 1uwd s ASP 26 Cb 0.07 -1.72 0.59 0.00 -0.34 0.00 0.00 42.92 41.52 1uwd s ASP 26 CO 0.10 -0.61 1.91 -0.37 0.68 0.00 0.00 175.17 176.88 1uwd h VAL 27 N 0.44 1.19 -0.03 2.11 -1.51 -1.78 -0.92 116.25 115.74 1uwd h VAL 27 Ca -0.47 -0.61 -0.18 0.00 -1.23 0.00 0.00 66.70 64.21 1uwd h VAL 27 Cb 1.24 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1uwd h VAL 27 CO 0.59 0.23 -0.77 0.58 -1.23 0.00 0.00 177.57 176.97 1uwd h VAL 28 N 0.67 1.43 -0.37 7.19 2.07 -1.88 -1.38 116.25 123.98 1uwd h VAL 28 Ca 0.16 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1uwd h VAL 28 Cb 0.18 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1uwd h VAL 28 CO -0.01 0.68 0.19 0.28 0.02 0.00 0.00 177.57 178.74 1uwd h SER 29 N 0.17 0.47 0.41 0.57 0.02 -1.81 -2.75 113.55 110.62 1uwd h SER 29 Ca -0.03 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1uwd h SER 29 Cb 1.35 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uwd h SER 29 CO 0.12 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.43 1uwd n LEU 30 N -4.74 0.58 -3.13 5.07 4.32 -0.40 -4.38 117.00 114.31 1uwd n LEU 30 Ca -0.00 0.69 -0.21 0.00 -0.02 0.00 0.00 56.01 56.47 1uwd n LEU 30 Cb 0.09 -0.67 0.06 0.00 -1.62 0.00 0.00 43.42 41.28 1uwd n LEU 30 CO 0.36 -0.70 0.19 0.61 -1.22 0.00 0.00 177.39 176.62 1uwd n GLY 31 N -0.57 -0.36 0.00 -0.72 0.00 -0.78 -3.28 105.19 99.48 1uwd n GLY 31 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.32 0.00 -2.01 0.99 4.77 -0.59 -4.92 117.00 110.92 1uwd n LEU 32 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1uwd n LEU 32 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1uwd n LEU 32 CO 0.55 -0.86 -0.37 0.52 -1.33 0.00 0.00 177.39 175.90 1uwd n VAL 33 N -2.15 -9.40 0.00 4.08 0.31 -1.26 -4.84 118.33 105.07 1uwd n VAL 33 Ca 0.00 1.94 0.00 0.00 -0.01 0.00 0.00 64.34 66.27 1uwd n VAL 33 Cb 0.00 -5.21 0.00 0.00 -0.91 0.00 0.00 33.84 27.72 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 1.14 0.00 -4.97 3.52 4.01 0.34 -5.01 117.16 116.20 1uwd n TYR 34 Ca -0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.31 1uwd n TYR 34 Cb 0.19 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.24 3.30 -0.26 7.72 3.68 -1.23 -4.96 116.67 123.69 1uwd s ASP 35 Ca 0.00 -0.51 -0.04 0.00 2.13 0.00 0.00 52.55 54.13 1uwd s ASP 35 Cb 0.00 -0.39 0.09 0.00 -1.45 0.00 0.00 42.92 41.17 1uwd s ASP 35 CO 0.00 0.28 0.14 -0.63 0.13 0.00 0.00 175.17 175.09 1uwd s ILE 36 N -0.77 -0.11 -0.08 4.11 1.01 -1.26 -1.07 121.20 123.03 1uwd s ILE 36 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1uwd s ILE 36 Cb -0.10 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1uwd s ILE 36 CO 0.02 -0.58 -0.17 -1.10 0.00 0.00 0.00 174.94 173.10 1uwd s GLN 37 N 2.14 2.28 -0.18 2.79 -0.21 -0.29 -4.80 119.66 121.39 1uwd s GLN 37 Ca 0.07 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 1uwd s GLN 37 Cb -0.16 -1.79 0.04 0.00 1.00 0.00 0.00 33.01 32.11 1uwd s GLN 37 CO -0.29 0.09 -0.07 0.42 -2.12 0.00 0.00 175.29 173.32 1uwd s ILE 38 N 0.53 1.29 0.91 1.08 -1.09 -1.26 -1.04 121.20 121.62 1uwd s ILE 38 Ca -0.16 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.34 1uwd s ILE 38 Cb -0.17 -1.45 0.14 0.00 -1.58 0.00 0.00 42.46 39.41 1uwd s ILE 38 CO 0.06 0.12 1.16 -0.62 -1.23 0.00 0.00 174.94 174.42 1uwd s ASP 39 N 1.55 3.49 0.55 3.58 3.68 -1.15 -4.88 116.67 123.49 1uwd s ASP 39 Ca -0.00 0.87 0.30 0.00 2.13 0.00 0.00 52.55 55.84 1uwd s ASP 39 Cb -0.16 -1.37 1.63 0.00 -1.45 0.00 0.00 42.92 41.57 1uwd s ASP 39 CO -0.08 -2.55 2.14 0.44 0.13 0.00 0.00 175.17 175.26 1uwd h ASP 40 N -1.50 0.00 0.00 -0.34 3.45 -1.95 0.02 116.42 116.11 1uwd h ASP 40 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 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 0.59 0.07 0.00 0.00 -1.57 0.00 0.00 179.24 178.34 1uwd n GLN 41 N -3.61 0.86 -3.09 3.56 1.13 -1.26 -4.87 117.38 110.10 1uwd n GLN 41 Ca -0.02 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1uwd n GLN 41 Cb 0.19 -1.17 -0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 -0.27 -3.74 -4.56 1.08 3.02 -0.01 -4.54 115.26 106.24 1uwd n ASN 42 Ca 0.00 -0.21 -0.26 0.00 -0.03 0.00 0.00 54.58 54.08 1uwd n ASN 42 Cb 0.09 -3.12 -0.05 0.00 -0.61 0.00 0.00 39.78 36.08 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 -2.52 5.12 -0.19 6.41 0.02 -1.25 -2.87 114.94 119.66 1uwd s ASN 43 Ca 0.28 -0.67 -0.29 0.00 -1.02 0.00 0.00 52.86 51.16 1uwd s ASN 43 Cb -0.15 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.55 1uwd s ASN 43 CO 0.35 -2.77 1.36 -0.69 0.02 0.00 0.00 177.10 175.36 1uwd s VAL 44 N 10.18 4.10 -0.14 1.60 1.01 -0.85 -2.96 120.40 133.34 1uwd s VAL 44 Ca 0.70 1.30 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1uwd s VAL 44 Cb -0.07 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1uwd s VAL 44 CO -0.01 -0.23 -0.19 -0.75 0.00 0.00 0.00 175.10 173.92 1uwd s LYS 45 N 3.87 2.75 -0.07 2.72 2.20 -0.21 -0.65 119.74 130.35 1uwd s LYS 45 Ca 0.59 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1uwd s LYS 45 Cb -0.22 -2.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.83 1uwd s LYS 45 CO 0.20 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 175.14 1uwd s VAL 46 N 1.01 0.65 -1.06 4.02 1.01 -0.93 -1.14 120.40 123.96 1uwd s VAL 46 Ca -0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1uwd s VAL 46 Cb -0.15 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1uwd s VAL 46 CO -0.05 0.28 1.50 -0.76 0.00 0.00 0.00 175.10 176.07 1uwd s LEU 47 N 1.38 3.54 0.48 3.92 1.02 -0.23 -1.69 118.68 127.11 1uwd s LEU 47 Ca -0.03 -1.58 0.04 0.00 0.02 0.00 0.00 54.13 52.57 1uwd s LEU 47 Cb -0.13 -2.57 0.02 0.00 0.02 0.00 0.00 46.19 43.52 1uwd s LEU 47 CO -0.03 -1.48 0.68 -0.32 0.02 0.00 0.00 176.35 175.22 1uwd s MET 48 N 4.90 2.73 -0.11 1.70 1.75 -0.86 -0.50 119.30 128.90 1uwd s MET 48 Ca 0.47 -0.91 -0.28 0.00 -1.25 0.00 0.00 55.69 53.73 1uwd s MET 48 Cb 0.00 -2.60 0.07 0.00 2.84 0.00 0.00 34.83 35.14 1uwd s MET 48 CO -0.07 -0.47 0.66 -0.08 -0.65 0.00 0.00 175.02 174.40 1uwd s THR 49 N -2.57 0.00 0.14 10.11 -1.32 -1.26 -1.05 115.64 119.69 1uwd s THR 49 Ca 0.55 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 61.03 1uwd s THR 49 Cb -0.10 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1uwd s THR 49 CO 0.36 -0.02 0.20 -0.04 -2.21 0.00 0.00 174.62 172.92 1uwd s MET 50 N -0.73 3.18 0.07 7.08 -1.94 -1.25 -4.71 119.30 121.01 1uwd s MET 50 Ca -0.08 -0.69 -0.35 0.00 -1.71 0.00 0.00 55.69 52.86 1uwd s MET 50 Cb -0.02 -2.83 -0.18 0.00 2.01 0.00 0.00 34.83 33.81 1uwd s MET 50 CO 0.07 0.52 1.54 0.00 -0.01 0.00 0.00 175.02 177.14 1uwd h THR 51 N 1.94 0.00 -3.90 2.05 1.03 -1.98 -3.46 112.91 108.59 1uwd h THR 51 Ca -0.48 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.61 1uwd h THR 51 Cb 1.19 0.00 -0.28 0.00 -1.07 0.00 0.00 68.15 67.99 1uwd h THR 51 CO 0.67 0.00 -0.75 0.42 -0.01 0.00 0.00 175.52 175.85 1uwd s THR 52 N -5.77 0.39 -2.00 0.00 -4.23 -1.26 -4.87 115.64 97.90 1uwd s THR 52 Ca -0.18 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1uwd s THR 52 Cb 0.03 -0.33 0.13 0.00 1.34 0.00 0.00 72.50 73.67 1uwd s THR 52 CO 0.57 0.10 0.91 -0.81 -0.54 0.00 0.00 174.62 174.85 1uwd n PRO 53 N 2.94 0.71 -0.03 3.99 -0.04 -1.26 -3.40 135.00 137.91 1uwd n PRO 53 Ca -0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1uwd n PRO 53 Cb 0.58 -1.10 0.16 0.00 -0.04 0.00 0.00 33.50 33.10 1uwd n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uwd n MET 54 N -0.60 2.29 -1.12 0.54 0.00 -1.26 -5.05 117.12 111.91 1uwd n MET 54 Ca 0.03 -1.88 -0.34 0.00 0.00 0.00 0.00 57.70 55.51 1uwd n MET 54 Cb 0.02 -1.47 0.11 0.00 0.00 0.00 0.00 33.22 31.88 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 -0.81 0.76 -1.18 0.00 0.13 -1.96 -3.21 132.00 125.72 1uwd h PRO 56 Ca -0.46 -0.63 -0.38 0.00 -0.87 0.00 0.00 66.00 63.66 1uwd h PRO 56 Cb 1.31 0.13 -0.39 0.00 0.13 0.00 0.00 31.00 32.18 1uwd h PRO 56 CO 0.44 1.24 -1.18 1.47 -0.23 0.00 0.00 178.00 179.73 1uwd n LEU 57 N -3.92 1.25 -0.25 1.56 -0.00 -1.26 -4.98 117.00 109.39 1uwd n LEU 57 Ca -0.07 -3.96 0.03 0.00 -0.00 0.00 0.00 56.01 52.00 1uwd n LEU 57 Cb 0.75 0.48 0.11 0.00 -0.00 0.00 0.00 43.42 44.77 1uwd n LEU 57 CO 0.53 1.71 0.75 0.00 -0.00 0.00 0.00 177.39 180.38 1uwd h ALA 58 N 2.98 0.59 -0.68 1.47 0.00 -1.94 -0.09 119.26 121.60 1uwd h ALA 58 Ca -0.06 0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1uwd h ALA 58 Cb 1.14 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 19.34 1uwd h ALA 58 CO 0.49 -0.42 0.12 0.78 0.00 0.00 0.00 179.25 180.22 1uwd h GLY 59 N 0.03 0.87 1.20 0.00 0.00 -1.94 0.11 103.07 103.34 1uwd h GLY 59 Ca 0.37 -0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 1uwd h GLY 59 CO -0.73 -0.18 -0.31 1.98 0.00 0.00 0.00 176.54 177.30 1uwd h MET 60 N 0.22 0.90 -0.29 4.80 -1.53 -1.45 0.19 114.93 117.77 1uwd h MET 60 Ca 0.37 -0.42 -0.06 0.00 -3.44 0.00 0.00 59.70 56.14 1uwd h MET 60 Cb 0.61 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.64 1uwd h MET 60 CO -0.50 1.08 -0.06 0.82 0.14 0.00 0.00 176.91 178.39 1uwd h ILE 61 N 0.75 1.28 -0.21 1.77 2.04 -0.91 -0.79 117.51 121.44 1uwd h ILE 61 Ca 0.08 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 1uwd h ILE 61 Cb 0.88 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1uwd h ILE 61 CO 0.08 0.35 -0.27 -0.07 0.00 0.00 0.00 178.15 178.23 1uwd h LEU 62 N 0.32 0.41 -0.08 1.44 3.38 -0.62 -2.18 115.31 117.99 1uwd h LEU 62 Ca 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1uwd h LEU 62 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uwd h LEU 62 CO 0.03 0.68 0.04 0.28 0.09 0.00 0.00 178.44 179.56 1uwd h SER 63 N 0.36 0.11 -0.73 -0.43 0.02 -0.52 -3.17 113.55 109.19 1uwd h SER 63 Ca 0.05 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1uwd h SER 63 Cb 0.67 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1uwd h SER 63 CO 0.05 0.21 0.48 -0.78 -1.14 0.00 0.00 176.83 175.65 1uwd h ASP 64 N 0.00 0.58 -0.48 3.07 3.58 -0.54 0.14 116.42 122.78 1uwd h ASP 64 Ca 0.03 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 1uwd h ASP 64 Cb 0.13 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1uwd h ASP 64 CO -0.00 0.35 0.07 0.00 -2.88 0.00 0.00 179.24 176.78 1uwd h ALA 65 N 1.63 1.11 -0.20 -0.78 0.00 -1.40 -0.19 119.26 119.43 1uwd h ALA 65 Ca 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1uwd h ALA 65 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uwd h ALA 65 CO -0.12 0.58 -0.01 1.49 0.00 0.00 0.00 179.25 181.20 1uwd h GLU 66 N 0.81 0.35 0.00 0.00 4.81 -1.13 -3.26 114.58 116.17 1uwd h GLU 66 Ca 0.17 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1uwd h GLU 66 Cb 0.39 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1uwd h GLU 66 CO 0.01 0.56 -0.02 1.49 -0.73 0.00 0.00 179.01 180.32 1uwd h GLU 67 N 0.11 0.00 0.07 1.92 4.57 0.33 0.03 114.58 121.60 1uwd h GLU 67 Ca 0.06 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.90 1uwd h GLU 67 Cb 0.40 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1uwd h GLU 67 CO 0.01 0.02 -1.86 0.00 -1.18 0.00 0.00 179.01 176.00 1uwd n ALA 68 N -2.12 0.92 0.11 2.92 0.00 -0.19 -4.51 120.51 117.63 1uwd n ALA 68 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1uwd n ALA 68 Cb 0.18 -0.54 0.26 0.00 0.00 0.00 0.00 19.45 19.35 1uwd n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1uwd h ILE 69 N -0.33 1.29 0.00 0.00 1.08 -1.39 -2.31 117.51 115.85 1uwd h ILE 69 Ca -0.44 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1uwd h ILE 69 Cb 1.78 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1uwd h ILE 69 CO -0.05 0.42 0.00 0.07 -0.69 0.00 0.00 178.15 177.90 1uwd h LYS 70 N 0.18 0.00 -0.03 2.37 2.10 -1.25 -3.16 116.57 116.78 1uwd h LYS 70 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1uwd h LYS 70 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1uwd h LYS 70 CO 0.06 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.14 1uwd n LYS 71 N -3.02 1.58 0.00 0.07 4.76 -0.87 -3.69 118.16 117.00 1uwd n LYS 71 Ca 0.00 -0.84 0.13 0.00 -2.87 0.00 0.00 58.31 54.73 1uwd n LYS 71 Cb 0.28 -1.47 0.79 0.00 -1.84 0.00 0.00 35.03 32.79 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1uwd n ILE 72 N 0.03 0.00 -3.74 -0.18 5.41 -1.20 -4.90 119.36 114.78 1uwd n ILE 72 Ca 0.19 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.70 1uwd n ILE 72 Cb 0.32 -0.53 0.04 0.00 -0.71 0.00 0.00 39.64 38.76 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 -0.97 -5.71 0.00 0.38 2.13 -1.24 -4.62 120.64 110.60 1uwd n GLU 73 Ca 0.20 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1uwd n GLU 73 Cb 0.09 -5.45 0.00 0.00 0.27 0.00 0.00 31.44 26.35 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 -1.64 0.18 3.21 8.31 0.00 -1.26 -4.89 105.19 109.10 1uwd n GLY 74 Ca -0.13 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1uwd n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uwd n VAL 75 N -1.24 0.00 -0.36 1.61 0.31 -1.26 -4.72 118.33 112.67 1uwd n VAL 75 Ca 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 1uwd n VAL 75 Cb 0.00 -1.40 0.04 0.00 -0.91 0.00 0.00 33.84 31.56 1uwd n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uwd n ASN 76 N 6.56 -0.60 -4.15 4.52 5.15 -1.14 -4.65 115.26 120.96 1uwd n ASN 76 Ca 0.23 1.61 -0.10 0.00 -0.60 0.00 0.00 54.58 55.72 1uwd n ASN 76 Cb 0.25 -0.37 -0.10 0.00 -0.53 0.00 0.00 39.78 39.03 1uwd n ASN 76 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uwd s ASN 77 N -5.33 1.02 -0.60 1.20 4.22 -1.26 -5.05 114.94 109.15 1uwd s ASN 77 Ca -0.13 -0.95 0.05 0.00 -2.14 0.00 0.00 52.86 49.69 1uwd s ASN 77 Cb 0.19 0.10 0.17 0.00 1.28 0.00 0.00 41.25 42.99 1uwd s ASN 77 CO 0.66 -0.45 0.44 -0.69 -2.04 0.00 0.00 177.10 175.02 1uwd s VAL 78 N -3.38 1.93 -1.45 3.54 1.01 -1.26 -2.01 120.40 118.78 1uwd s VAL 78 Ca 0.09 -3.67 -0.11 0.00 0.00 0.00 0.00 61.98 58.28 1uwd s VAL 78 Cb 0.04 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1uwd s VAL 78 CO -0.05 -1.09 2.32 -0.62 0.00 0.00 0.00 175.10 175.66 1uwd n GLU 79 N 2.29 3.35 -2.85 2.72 -0.58 0.18 -4.92 120.64 120.83 1uwd n GLU 79 Ca 0.24 -2.79 -0.43 0.00 -0.42 0.00 0.00 57.16 53.76 1uwd n GLU 79 Cb 0.40 -3.05 -0.04 0.00 -0.57 0.00 0.00 31.44 28.18 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 2.00 4.33 0.42 2.62 1.01 -1.26 -2.19 120.40 127.32 1uwd s VAL 80 Ca 0.51 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 1uwd s VAL 80 Cb 0.14 -4.65 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 1uwd s VAL 80 CO -0.06 -1.37 0.96 -0.70 0.00 0.00 0.00 175.10 173.92 1uwd s GLU 81 N 4.06 4.24 -0.31 2.72 2.56 -0.68 -4.98 118.70 126.31 1uwd s GLU 81 Ca 0.24 1.18 0.03 0.00 0.00 0.00 0.00 54.97 56.42 1uwd s GLU 81 Cb -0.16 -2.27 0.09 0.00 2.00 0.00 0.00 34.13 33.79 1uwd s GLU 81 CO 0.13 -0.02 0.00 -1.17 -0.56 0.00 0.00 175.26 173.63 1uwd s LEU 82 N -3.03 3.97 -0.23 2.70 2.96 -1.26 -2.03 118.68 121.77 1uwd s LEU 82 Ca 0.61 -1.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 1uwd s LEU 82 Cb -0.11 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1uwd s LEU 82 CO 0.16 -0.32 0.69 -0.89 -1.32 0.00 0.00 176.35 174.67 1uwd s THR 83 N 1.07 4.96 -0.10 3.68 2.01 -0.21 -4.87 115.64 122.16 1uwd s THR 83 Ca 0.04 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.39 1uwd s THR 83 Cb -0.19 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 1uwd s THR 83 CO -0.08 0.03 0.19 0.49 -0.69 0.00 0.00 174.62 174.56 1uwd n PHE 84 N 5.53 0.00 0.14 4.92 3.72 -1.26 -3.87 117.46 126.64 1uwd n PHE 84 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1uwd n PHE 84 Cb 0.49 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.74 -3.49 4.37 3.32 -1.97 -3.42 116.42 114.50 1uwd h ASP 85 Ca 0.00 0.08 -0.52 0.00 0.02 0.00 0.00 57.03 56.61 1uwd h ASP 85 Cb 0.27 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1uwd h ASP 85 CO 0.00 -0.37 0.48 -2.16 -1.72 0.00 0.00 179.24 175.48 1uwd s PRO 86 N -6.06 4.56 -0.50 3.56 0.04 -1.26 -4.98 135.00 130.36 1uwd s PRO 86 Ca -0.16 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 1uwd s PRO 86 Cb 0.07 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1uwd s PRO 86 CO 0.65 0.01 1.50 -1.25 0.04 0.00 0.00 177.00 177.95 1uwd s PRO 87 N -0.02 3.30 0.00 0.56 0.04 -1.26 -4.96 135.00 132.65 1uwd s PRO 87 Ca 0.51 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1uwd s PRO 87 Cb -0.29 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1uwd s PRO 87 CO 0.33 -1.92 0.44 1.87 0.04 0.00 0.00 177.00 177.77 1uwd n TRP 88 N 9.80 0.00 0.00 0.56 -0.00 -1.26 -5.01 117.44 121.54 1uwd n TRP 88 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1uwd n TRP 88 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.80 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 -0.57 0.00 0.41 5.87 -1.04 -1.26 -5.05 114.28 112.64 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 0.00 0.18 0.32 -2.82 -0.04 -1.26 -2.08 135.00 129.29 1uwd n PRO 90 Ca 0.00 0.40 0.20 0.00 -0.04 0.00 0.00 63.50 64.06 1uwd n PRO 90 Cb 0.00 -1.83 1.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.00 0.00 0.54 3.07 -1.96 -3.17 114.58 113.06 1uwd h GLU 91 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1uwd h GLU 91 Cb 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1uwd h GLU 91 CO 0.00 0.01 -0.33 0.00 -1.40 0.00 0.00 179.01 177.29 1uwd h ARG 92 N 0.00 0.00 -7.05 2.33 2.47 -1.65 -3.43 114.38 107.05 1uwd h ARG 92 Ca -0.00 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.25 1uwd h ARG 92 Cb 0.05 0.00 0.22 0.00 -1.65 0.00 0.00 29.97 28.59 1uwd h ARG 92 CO 0.00 0.33 -0.19 -1.33 0.56 0.00 0.00 179.97 179.34 1uwd n MET 93 N -3.90 -1.74 -1.74 0.04 2.81 -1.20 -4.35 117.12 107.03 1uwd n MET 93 Ca -0.02 -0.47 -0.38 0.00 -1.81 0.00 0.00 57.70 55.03 1uwd n MET 93 Cb 0.40 -2.11 0.06 0.00 -0.71 0.00 0.00 33.22 30.86 1uwd n MET 93 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1uwd s SER 94 N -2.32 4.84 0.56 7.83 1.04 -1.26 -4.82 113.70 119.56 1uwd s SER 94 Ca 0.65 2.70 0.33 0.00 0.48 0.00 0.00 55.95 60.11 1uwd s SER 94 Cb -0.22 -2.63 1.61 0.00 0.10 0.00 0.00 66.02 64.88 1uwd s SER 94 CO 0.64 -1.86 2.09 1.55 0.98 0.00 0.00 173.24 176.65 1uwd h PRO 95 N 0.89 0.00 0.00 4.02 0.13 -1.92 -1.54 132.00 133.59 1uwd h PRO 95 Ca -0.51 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 1uwd h PRO 95 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1uwd h PRO 95 CO 0.55 0.06 -0.79 1.49 -0.23 0.00 0.00 178.00 179.08 1uwd h GLU 96 N 0.00 0.00 0.12 0.86 4.81 -1.98 -3.00 114.58 115.39 1uwd h GLU 96 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1uwd h GLU 96 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1uwd h GLU 96 CO 0.01 0.79 -1.22 -0.07 -0.73 0.00 0.00 179.01 177.78 1uwd h LEU 97 N 0.00 0.59 -0.24 1.64 3.38 -1.68 -2.69 115.31 116.31 1uwd h LEU 97 Ca -0.01 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.44 1uwd h LEU 97 Cb 1.44 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1uwd h LEU 97 CO 0.10 1.43 -0.21 0.03 0.09 0.00 0.00 178.44 179.88 1uwd h ARG 98 N 0.15 -0.21 0.00 1.13 3.08 -1.38 0.17 114.38 117.32 1uwd h ARG 98 Ca -0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1uwd h ARG 98 Cb 1.92 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.02 1uwd h ARG 98 CO 0.21 -0.14 0.00 0.39 -1.07 0.00 0.00 179.97 179.37 1uwd n GLU 99 N -5.36 0.02 -0.07 0.04 -0.58 -1.14 -0.47 120.64 113.08 1uwd n GLU 99 Ca -0.01 0.32 -0.07 0.00 -0.42 0.00 0.00 57.16 56.98 1uwd n GLU 99 Cb 0.27 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1uwd n GLU 99 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1uwd h LYS 100 N 0.00 0.00 0.46 3.49 3.64 -0.79 -3.43 116.57 119.93 1uwd h LYS 100 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1uwd h LYS 100 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1uwd h LYS 100 CO 0.00 0.22 -0.22 0.74 -2.27 0.00 0.00 179.45 177.92 1uwd h PHE 101 N -1.00 -0.57 0.00 1.91 -1.00 -0.41 -3.49 116.94 112.38 1uwd h PHE 101 Ca -0.06 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1uwd h PHE 101 Cb 0.59 0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1uwd h PHE 101 CO -0.11 -0.25 0.00 0.41 -1.61 0.00 0.00 178.31 176.76 1uwd n GLY 102 N -0.34 2.26 1.10 -1.45 0.00 0.38 -5.09 105.19 102.06 1uwd n GLY 102 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70