#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 -6.44 -3.80 7.83 7.64 -1.26 -5.04 113.62 112.54 1uwd n SER 3 Ca 0.00 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1uwd n SER 3 Cb 0.00 -3.04 -0.12 0.00 -1.01 0.00 0.00 64.21 60.04 1uwd n SER 3 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1uwd s LYS 4 N -2.46 0.26 0.16 1.43 2.47 -1.26 -4.46 119.74 115.87 1uwd s LYS 4 Ca 0.32 0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.98 1uwd s LYS 4 Cb -0.05 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1uwd s LYS 4 CO 0.82 -0.04 0.00 1.17 0.16 0.00 0.00 175.35 177.46 1uwd n LYS 5 N 2.87 -3.78 -3.97 4.03 4.81 -1.26 -5.06 118.16 115.79 1uwd n LYS 5 Ca -0.13 2.67 -0.28 0.00 -0.87 0.00 0.00 58.31 59.69 1uwd n LYS 5 Cb 0.58 -3.06 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 1uwd n LYS 5 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1uwd s VAL 6 N -0.51 5.11 0.09 3.15 1.01 -1.26 -5.01 120.40 122.98 1uwd s VAL 6 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1uwd s VAL 6 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1uwd s VAL 6 CO 0.00 0.01 -0.04 0.42 0.00 0.00 0.00 175.10 175.50 1uwd s THR 7 N -1.62 0.48 0.42 3.92 -4.23 -1.26 -4.91 115.64 108.44 1uwd s THR 7 Ca 0.33 -1.89 0.13 0.00 -1.18 0.00 0.00 61.69 59.08 1uwd s THR 7 Cb -0.12 -1.70 0.16 0.00 1.34 0.00 0.00 72.50 72.18 1uwd s THR 7 CO 0.27 -0.84 1.94 0.07 -0.54 0.00 0.00 174.62 175.51 1uwd h LYS 8 N 2.99 0.05 -0.18 3.99 2.10 -1.96 -0.36 116.57 123.21 1uwd h LYS 8 Ca -0.35 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.12 1uwd h LYS 8 Cb 1.16 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1uwd h LYS 8 CO 0.64 0.27 -0.57 1.49 -2.00 0.00 0.00 179.45 179.28 1uwd h GLU 9 N 0.05 0.56 -0.01 0.07 4.81 -1.97 -1.01 114.58 117.09 1uwd h GLU 9 Ca 0.01 -0.37 -0.25 0.00 -0.13 0.00 0.00 59.36 58.62 1uwd h GLU 9 Cb 0.41 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1uwd h GLU 9 CO 0.03 0.98 -0.99 -0.44 -0.73 0.00 0.00 179.01 177.86 1uwd h ASP 10 N 0.43 0.79 -0.45 1.04 5.19 -1.75 -1.86 116.42 119.81 1uwd h ASP 10 Ca 0.00 -0.62 0.04 0.00 -0.62 0.00 0.00 57.03 55.83 1uwd h ASP 10 Cb 1.12 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1uwd h ASP 10 CO 0.11 1.42 0.30 0.58 -3.12 0.00 0.00 179.24 178.53 1uwd h VAL 11 N 0.35 1.02 -0.02 -1.35 2.07 -1.04 0.23 116.25 117.52 1uwd h VAL 11 Ca -0.11 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1uwd h VAL 11 Cb 1.63 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1uwd h VAL 11 CO 0.19 0.09 -0.07 -0.07 0.02 0.00 0.00 177.57 177.72 1uwd h LEU 12 N 0.47 0.10 -1.57 2.57 3.38 -0.87 -1.43 115.31 117.96 1uwd h LEU 12 Ca 0.19 -0.63 0.10 0.00 0.09 0.00 0.00 57.88 57.63 1uwd h LEU 12 Cb 0.16 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1uwd h LEU 12 CO -0.05 0.71 0.44 0.78 0.09 0.00 0.00 178.44 180.42 1uwd h ASN 13 N -0.51 0.43 -0.32 -0.43 2.35 -1.17 0.10 115.58 116.03 1uwd h ASN 13 Ca -0.00 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 1uwd h ASN 13 Cb 0.71 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 1uwd h ASN 13 CO 0.02 0.26 -0.33 0.00 -1.65 0.00 0.00 177.43 175.72 1uwd h ALA 14 N 1.67 0.47 0.00 -0.83 0.00 -0.75 -3.01 119.26 116.82 1uwd h ALA 14 Ca 0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1uwd h ALA 14 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1uwd h ALA 14 CO -0.09 0.53 -0.21 -0.07 0.00 0.00 0.00 179.25 179.41 1uwd h LEU 15 N 0.56 0.00 -1.42 0.00 3.38 -0.21 -3.15 115.31 114.47 1uwd h LEU 15 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1uwd h LEU 15 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1uwd h LEU 15 CO 0.08 0.21 0.00 0.29 0.09 0.00 0.00 178.44 179.11 1uwd n LYS 16 N -3.27 0.33 0.00 1.13 5.02 0.25 -1.40 118.16 120.22 1uwd n LYS 16 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1uwd n LYS 16 Cb 0.48 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.55 0.58 -3.96 4.39 3.02 -1.19 -4.99 115.26 113.66 1uwd n ASN 17 Ca 0.00 -1.22 -0.35 0.00 -0.03 0.00 0.00 54.58 52.99 1uwd n ASN 17 Cb 0.12 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 1uwd n ASN 17 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uwd n VAL 18 N -0.11 3.07 -2.94 2.41 0.31 -0.49 -5.03 118.33 115.56 1uwd n VAL 18 Ca 0.00 -5.22 -0.41 0.00 -0.01 0.00 0.00 64.34 58.71 1uwd n VAL 18 Cb 0.31 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 30.92 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 -1.77 4.95 -0.31 2.52 1.01 -1.26 -3.42 121.20 122.93 1uwd s ILE 19 Ca 0.30 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 62.27 1uwd s ILE 19 Cb -0.01 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1uwd s ILE 19 CO -0.08 0.15 1.96 -0.62 0.00 0.00 0.00 174.94 176.35 1uwd s ASP 20 N 0.98 5.66 0.56 3.58 -1.08 -1.08 -4.89 116.67 120.41 1uwd s ASP 20 Ca 0.40 1.45 0.25 0.00 -0.52 0.00 0.00 52.55 54.13 1uwd s ASP 20 Cb -0.18 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.30 1uwd s ASP 20 CO 0.17 -1.87 2.10 0.15 0.52 0.00 0.00 175.17 176.24 1uwd h PHE 21 N 13.95 0.00 0.01 -5.34 3.57 -1.95 0.13 116.94 127.31 1uwd h PHE 21 Ca -0.35 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 1uwd h PHE 21 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1uwd h PHE 21 CO 0.96 0.00 -0.05 1.49 -2.23 0.00 0.00 178.31 178.47 1uwd h GLU 22 N 0.00 0.02 0.00 1.11 4.57 -1.96 -3.36 114.58 114.95 1uwd h GLU 22 Ca 0.10 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1uwd h GLU 22 Cb 0.47 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1uwd h GLU 22 CO -0.00 1.01 -0.52 1.25 -1.18 0.00 0.00 179.01 179.57 1uwd h LEU 23 N -0.95 0.00 0.00 1.64 7.12 -1.80 -3.47 115.31 117.85 1uwd h LEU 23 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1uwd h LEU 23 Cb 1.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1uwd h LEU 23 CO 0.01 0.52 0.00 0.61 -0.13 0.00 0.00 178.44 179.45 1uwd n GLY 24 N 0.22 0.52 3.39 3.75 0.00 0.39 -5.00 105.19 108.47 1uwd n GLY 24 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 2.55 0.45 0.99 2.01 -1.26 -4.96 118.68 118.47 1uwd s LEU 25 Ca 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 54.13 53.08 1uwd s LEU 25 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 46.19 45.29 1uwd s LEU 25 CO 0.00 -0.07 0.76 1.51 1.01 0.00 0.00 176.35 179.56 1uwd s ASP 26 N -3.31 6.32 0.40 2.29 -4.77 -1.26 -2.63 116.67 113.70 1uwd s ASP 26 Ca 0.25 0.93 0.08 0.00 -3.30 0.00 0.00 52.55 50.50 1uwd s ASP 26 Cb -0.03 -2.25 0.85 0.00 -1.09 0.00 0.00 42.92 40.40 1uwd s ASP 26 CO 0.10 -0.52 2.02 -0.37 0.70 0.00 0.00 175.17 177.10 1uwd h VAL 27 N 0.45 1.05 -0.14 2.11 -1.51 -1.77 0.37 116.25 116.80 1uwd h VAL 27 Ca -0.47 -0.20 -0.17 0.00 -1.23 0.00 0.00 66.70 64.62 1uwd h VAL 27 Cb 1.20 0.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1uwd h VAL 27 CO 0.62 0.11 -0.64 0.58 -1.23 0.00 0.00 177.57 177.02 1uwd h VAL 28 N 0.60 1.34 -0.30 7.19 2.07 -1.91 -1.11 116.25 124.11 1uwd h VAL 28 Ca 0.22 -1.94 -0.12 0.00 0.82 0.00 0.00 66.70 65.68 1uwd h VAL 28 Cb 0.12 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1uwd h VAL 28 CO -0.06 0.60 -0.30 0.28 0.02 0.00 0.00 177.57 178.11 1uwd h SER 29 N 0.37 0.66 0.16 0.57 0.02 -1.62 -0.73 113.55 112.98 1uwd h SER 29 Ca -0.01 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1uwd h SER 29 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1uwd h SER 29 CO 0.12 0.92 0.00 -0.07 -1.14 0.00 0.00 176.83 176.66 1uwd h LEU 30 N 0.55 0.00 -1.21 5.07 4.07 -0.79 -3.41 115.31 119.58 1uwd h LEU 30 Ca 0.07 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.66 1uwd h LEU 30 Cb 0.79 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.69 1uwd h LEU 30 CO 0.06 0.00 -0.72 0.61 -1.08 0.00 0.00 178.44 177.32 1uwd n GLY 31 N -0.99 -0.46 0.00 0.83 0.00 -0.28 -3.29 105.19 101.01 1uwd n GLY 31 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.59 0.00 -1.53 0.99 4.77 -0.48 -4.88 117.00 111.27 1uwd n LEU 32 Ca -0.12 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1uwd n LEU 32 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1uwd n LEU 32 CO 0.63 -0.10 -0.61 0.55 -1.33 0.00 0.00 177.39 176.53 1uwd n VAL 33 N -0.20 -1.71 0.00 4.08 3.14 -1.26 -4.93 118.33 117.46 1uwd n VAL 33 Ca 0.00 1.17 0.00 0.00 -2.96 0.00 0.00 64.34 62.55 1uwd n VAL 33 Cb 0.00 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 30.93 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 -3.77 0.00 -3.83 1.45 4.01 -0.14 -4.94 117.16 109.94 1uwd n TYR 34 Ca -0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1uwd n TYR 34 Cb 0.63 0.05 -0.09 0.00 -0.31 0.00 0.00 39.34 39.63 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 -4.85 -0.01 -0.16 7.72 3.68 -1.10 -5.01 116.67 116.95 1uwd s ASP 35 Ca 0.00 -0.24 -0.04 0.00 2.13 0.00 0.00 52.55 54.40 1uwd s ASP 35 Cb 0.00 0.27 0.07 0.00 -1.45 0.00 0.00 42.92 41.82 1uwd s ASP 35 CO 0.00 -0.49 0.18 -0.63 0.13 0.00 0.00 175.17 174.36 1uwd s ILE 36 N -2.06 -0.27 -0.20 4.11 1.01 -1.26 -0.93 121.20 121.60 1uwd s ILE 36 Ca -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 1uwd s ILE 36 Cb -0.03 -0.53 0.06 0.00 0.01 0.00 0.00 42.46 41.97 1uwd s ILE 36 CO -0.01 -0.09 0.01 -1.10 0.00 0.00 0.00 174.94 173.75 1uwd s GLN 37 N 2.29 0.90 -0.18 2.79 -0.21 0.18 -4.80 119.66 120.63 1uwd s GLN 37 Ca 0.05 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1uwd s GLN 37 Cb -0.14 -2.23 0.02 0.00 1.00 0.00 0.00 33.01 31.66 1uwd s GLN 37 CO -0.09 -0.63 -0.19 0.42 -2.12 0.00 0.00 175.29 172.68 1uwd s ILE 38 N 1.74 2.01 1.04 1.08 1.01 -1.26 -1.82 121.20 125.00 1uwd s ILE 38 Ca -0.02 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 1uwd s ILE 38 Cb -0.17 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.69 1uwd s ILE 38 CO -0.07 0.53 1.09 -0.62 0.00 0.00 0.00 174.94 175.87 1uwd s ASP 39 N 1.31 2.26 0.32 3.58 -1.08 -1.15 -4.90 116.67 117.00 1uwd s ASP 39 Ca 0.05 1.13 0.03 0.00 -0.52 0.00 0.00 52.55 53.24 1uwd s ASP 39 Cb -0.13 -1.77 0.63 0.00 -1.46 0.00 0.00 42.92 40.19 1uwd s ASP 39 CO -0.13 -3.35 1.89 0.44 0.52 0.00 0.00 175.17 174.54 1uwd h ASP 40 N -2.05 0.82 -0.25 -0.34 3.32 -1.94 -2.23 116.42 113.76 1uwd h ASP 40 Ca -0.55 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 1uwd h ASP 40 Cb 1.33 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1uwd h ASP 40 CO 0.55 0.48 0.11 0.00 -1.72 0.00 0.00 179.24 178.66 1uwd n GLN 41 N -4.53 1.79 -3.60 3.56 1.13 -1.26 -4.73 117.38 109.73 1uwd n GLN 41 Ca 0.16 -0.96 -0.27 0.00 -1.94 0.00 0.00 57.00 53.99 1uwd n GLN 41 Cb 0.31 -1.55 -0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 0.09 -3.93 -4.57 1.08 4.13 -0.84 -4.64 115.26 106.58 1uwd n ASN 42 Ca 0.14 -0.56 -0.33 0.00 1.68 0.00 0.00 54.58 55.50 1uwd n ASN 42 Cb 0.72 -3.21 -0.04 0.00 -1.54 0.00 0.00 39.78 35.70 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1uwd s ASN 43 N -2.92 5.73 -0.36 6.41 0.02 -1.26 -2.87 114.94 119.69 1uwd s ASN 43 Ca 0.51 -1.55 -0.29 0.00 -1.02 0.00 0.00 52.86 50.51 1uwd s ASN 43 Cb -0.27 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.43 1uwd s ASN 43 CO 0.62 -2.28 1.45 -0.69 0.02 0.00 0.00 177.10 176.23 1uwd s VAL 44 N 8.15 3.88 -0.08 1.60 1.01 -0.71 -2.92 120.40 131.33 1uwd s VAL 44 Ca 0.61 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.57 1uwd s VAL 44 Cb -0.01 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1uwd s VAL 44 CO 0.04 -0.62 -0.24 -0.75 0.00 0.00 0.00 175.10 173.53 1uwd s LYS 45 N 4.85 2.84 -0.08 2.72 2.20 -0.75 -0.16 119.74 131.35 1uwd s LYS 45 Ca 0.63 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1uwd s LYS 45 Cb -0.16 -2.25 0.03 0.00 -1.51 0.00 0.00 37.83 33.94 1uwd s LYS 45 CO 0.31 0.27 0.00 0.08 -0.36 0.00 0.00 175.35 175.65 1uwd s VAL 46 N 0.11 0.39 -1.11 4.02 1.01 -0.87 -0.65 120.40 123.30 1uwd s VAL 46 Ca -0.12 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1uwd s VAL 46 Cb -0.16 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.70 1uwd s VAL 46 CO 0.06 0.22 1.53 -0.76 0.00 0.00 0.00 175.10 176.16 1uwd s LEU 47 N 1.96 3.69 0.41 3.92 1.02 -0.11 -0.39 118.68 129.19 1uwd s LEU 47 Ca 0.04 -1.83 0.04 0.00 0.02 0.00 0.00 54.13 52.41 1uwd s LEU 47 Cb -0.13 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1uwd s LEU 47 CO -0.06 -1.37 0.59 -0.32 0.02 0.00 0.00 176.35 175.21 1uwd s MET 48 N 4.60 2.98 0.29 1.70 1.75 -1.24 -0.97 119.30 128.42 1uwd s MET 48 Ca 0.48 -0.85 -0.03 0.00 -1.25 0.00 0.00 55.69 54.04 1uwd s MET 48 Cb 0.01 -2.69 -0.01 0.00 2.84 0.00 0.00 34.83 34.98 1uwd s MET 48 CO -0.04 -0.19 0.39 -0.08 -0.65 0.00 0.00 175.02 174.45 1uwd s THR 49 N -2.39 0.00 0.31 10.11 -1.32 -1.26 -0.80 115.64 120.28 1uwd s THR 49 Ca 0.49 -1.68 0.09 0.00 -1.21 0.00 0.00 61.69 59.37 1uwd s THR 49 Cb -0.10 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1uwd s THR 49 CO 0.34 0.00 0.11 -0.04 -2.21 0.00 0.00 174.62 172.82 1uwd s MET 50 N -3.53 2.41 0.09 7.08 -1.94 -1.26 -4.65 119.30 117.49 1uwd s MET 50 Ca 0.32 -1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 52.59 1uwd s MET 50 Cb 0.01 -2.21 -0.16 0.00 2.01 0.00 0.00 34.83 34.49 1uwd s MET 50 CO 0.17 0.21 1.72 0.00 -0.01 0.00 0.00 175.02 177.11 1uwd h THR 51 N 1.64 0.92 -3.96 2.05 1.03 -2.00 -3.46 112.91 109.12 1uwd h THR 51 Ca -0.44 -0.01 -0.27 0.00 -0.01 0.00 0.00 66.41 65.68 1uwd h THR 51 Cb 1.25 0.92 -0.22 0.00 -1.07 0.00 0.00 68.15 69.04 1uwd h THR 51 CO 0.62 0.00 -0.73 0.42 -0.01 0.00 0.00 175.52 175.82 1uwd s THR 52 N -6.15 0.50 -1.69 0.00 -4.23 -1.26 -4.90 115.64 97.90 1uwd s THR 52 Ca -0.14 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1uwd s THR 52 Cb 0.06 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1uwd s THR 52 CO 0.65 -0.37 0.38 -2.65 -0.54 0.00 0.00 174.62 172.10 1uwd n PRO 53 N 1.54 0.00 -0.83 3.99 -0.02 -1.26 -3.53 135.00 134.89 1uwd n PRO 53 Ca -0.22 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.26 1uwd n PRO 53 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1uwd n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uwd n MET 54 N -0.87 0.00 -1.35 -0.52 0.00 -1.26 -5.11 117.12 108.01 1uwd n MET 54 Ca 0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 57.70 56.13 1uwd n MET 54 Cb 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 33.22 33.03 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 -0.16 0.00 -0.65 0.00 0.13 -2.00 -2.33 132.00 126.99 1uwd h PRO 56 Ca -0.46 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1uwd h PRO 56 Cb 1.36 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.26 1uwd h PRO 56 CO 0.45 0.23 -0.69 1.47 -0.23 0.00 0.00 178.00 179.23 1uwd n LEU 57 N -3.71 -1.43 -0.26 1.56 -0.00 -1.26 -5.04 117.00 106.86 1uwd n LEU 57 Ca -0.01 -4.06 0.06 0.00 -0.00 0.00 0.00 56.01 52.00 1uwd n LEU 57 Cb 0.34 0.85 0.19 0.00 -0.00 0.00 0.00 43.42 44.81 1uwd n LEU 57 CO 0.34 2.12 0.97 0.00 -0.00 0.00 0.00 177.39 180.82 1uwd h ALA 58 N 3.19 1.03 -0.77 1.47 0.00 -1.76 0.11 119.26 122.52 1uwd h ALA 58 Ca -0.04 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1uwd h ALA 58 Cb 1.04 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1uwd h ALA 58 CO 0.27 -0.30 0.51 0.78 0.00 0.00 0.00 179.25 180.51 1uwd h GLY 59 N 0.33 1.01 0.68 0.00 0.00 -1.96 0.63 103.07 103.76 1uwd h GLY 59 Ca 0.43 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1uwd h GLY 59 CO -0.48 0.19 -0.19 -0.33 0.00 0.00 0.00 176.54 175.72 1uwd h MET 60 N 0.73 0.31 -0.61 4.80 2.07 -1.41 -1.60 114.93 119.21 1uwd h MET 60 Ca 0.35 -0.20 0.01 0.00 -2.07 0.00 0.00 59.70 57.80 1uwd h MET 60 Cb 0.41 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 1uwd h MET 60 CO -0.13 0.79 0.40 0.82 1.07 0.00 0.00 176.91 179.86 1uwd h ILE 61 N -0.14 1.14 -0.10 -1.22 2.04 -1.08 0.81 117.51 118.96 1uwd h ILE 61 Ca 0.00 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1uwd h ILE 61 Cb 0.77 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1uwd h ILE 61 CO 0.04 0.15 -0.22 -0.07 0.00 0.00 0.00 178.15 178.05 1uwd h LEU 62 N 0.81 0.17 0.14 1.44 3.38 -0.92 -2.13 115.31 118.20 1uwd h LEU 62 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1uwd h LEU 62 Cb -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uwd h LEU 62 CO -0.06 0.40 -0.07 0.28 0.09 0.00 0.00 178.44 179.09 1uwd h SER 63 N 0.16 -0.16 -0.35 -0.43 0.02 -0.30 -3.23 113.55 109.25 1uwd h SER 63 Ca 0.03 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1uwd h SER 63 Cb 0.49 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1uwd h SER 63 CO 0.03 0.14 0.23 -0.78 -1.14 0.00 0.00 176.83 175.31 1uwd h ASP 64 N -0.48 0.38 0.81 3.07 3.58 -0.31 0.14 116.42 123.61 1uwd h ASP 64 Ca -0.02 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1uwd h ASP 64 Cb 0.38 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.34 1uwd h ASP 64 CO 0.03 0.27 -0.39 0.00 -2.88 0.00 0.00 179.24 176.27 1uwd h ALA 65 N 1.79 -1.09 -0.71 -0.78 0.00 -1.51 -0.19 119.26 116.76 1uwd h ALA 65 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1uwd h ALA 65 Cb -0.02 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1uwd h ALA 65 CO -0.03 -1.07 0.39 1.49 0.00 0.00 0.00 179.25 180.03 1uwd h GLU 66 N -1.18 0.68 -0.00 0.00 4.81 -1.35 0.42 114.58 117.95 1uwd h GLU 66 Ca -0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1uwd h GLU 66 Cb 0.85 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1uwd h GLU 66 CO 0.18 0.45 0.00 1.49 -0.73 0.00 0.00 179.01 180.40 1uwd h GLU 67 N 0.70 0.00 0.03 1.92 4.57 -0.70 -0.36 114.58 120.74 1uwd h GLU 67 Ca 0.32 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.30 1uwd h GLU 67 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1uwd h GLU 67 CO -0.21 0.00 -1.07 0.00 -1.18 0.00 0.00 179.01 176.55 1uwd h ALA 68 N 2.00 0.21 -0.60 2.92 0.00 -0.12 -3.38 119.26 120.28 1uwd h ALA 68 Ca 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 54.91 53.92 1uwd h ALA 68 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1uwd h ALA 68 CO -0.00 0.62 0.40 0.82 0.00 0.00 0.00 179.25 181.09 1uwd h ILE 69 N -0.83 0.98 0.00 0.00 2.04 -0.66 -1.43 117.51 117.60 1uwd h ILE 69 Ca -0.28 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1uwd h ILE 69 Cb 1.36 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1uwd h ILE 69 CO -0.11 0.10 0.00 2.29 0.00 0.00 0.00 178.15 180.43 1uwd n LYS 70 N -4.48 0.56 0.00 2.37 2.85 -0.17 -3.30 118.16 116.00 1uwd n LYS 70 Ca 0.09 0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1uwd n LYS 70 Cb 0.26 -1.50 0.38 0.00 -0.65 0.00 0.00 35.03 33.53 1uwd n LYS 70 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1uwd n LYS 71 N -1.11 0.99 0.00 -1.58 4.76 -0.54 -4.27 118.16 116.42 1uwd n LYS 71 Ca 0.15 -0.60 0.10 0.00 -2.87 0.00 0.00 58.31 55.09 1uwd n LYS 71 Cb 0.11 -1.49 0.57 0.00 -1.84 0.00 0.00 35.03 32.39 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 -0.48 0.00 -4.14 -0.18 5.41 -1.21 -4.90 119.36 113.86 1uwd n ILE 72 Ca 0.13 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.56 1uwd n ILE 72 Cb 0.36 -0.35 -0.03 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.82 -3.19 0.04 0.38 2.13 -1.26 -4.43 120.64 113.49 1uwd n GLU 73 Ca 0.14 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1uwd n GLU 73 Cb 0.07 -4.87 0.00 0.00 0.27 0.00 0.00 31.44 26.90 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 -0.88 2.53 8.31 0.00 -1.26 -4.57 105.19 107.68 1uwd n GLY 74 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.63 0.00 -0.27 1.61 3.14 -1.26 -4.71 118.33 114.20 1uwd n VAL 75 Ca 0.00 -0.04 -0.07 0.00 -2.96 0.00 0.00 64.34 61.27 1uwd n VAL 75 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1uwd n VAL 75 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1uwd n ASN 76 N 2.56 -0.68 -4.38 6.55 5.15 -1.14 -4.64 115.26 118.68 1uwd n ASN 76 Ca 0.00 1.50 -0.20 0.00 -0.60 0.00 0.00 54.58 55.28 1uwd n ASN 76 Cb 0.02 -0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 38.84 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 -4.62 2.90 -0.43 1.20 4.22 -1.24 -5.06 114.94 111.92 1uwd s ASN 77 Ca -0.08 -1.01 0.06 0.00 -2.14 0.00 0.00 52.86 49.69 1uwd s ASN 77 Cb 0.07 -0.19 0.22 0.00 1.28 0.00 0.00 41.25 42.63 1uwd s ASN 77 CO 0.40 -0.10 0.47 0.52 -2.04 0.00 0.00 177.10 176.36 1uwd n VAL 78 N -0.41 -0.53 -1.77 3.54 0.31 -1.26 -1.74 118.33 116.47 1uwd n VAL 78 Ca -0.07 -3.94 -0.35 0.00 -0.01 0.00 0.00 64.34 59.96 1uwd n VAL 78 Cb 0.60 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1uwd n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uwd n GLU 79 N 1.89 3.78 -2.62 5.55 -0.58 0.77 -4.93 120.64 124.50 1uwd n GLU 79 Ca 0.25 -2.97 -0.43 0.00 -0.42 0.00 0.00 57.16 53.59 1uwd n GLU 79 Cb 0.49 -2.46 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 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 -1.30 4.42 0.75 2.62 1.01 -1.26 -2.05 120.40 124.59 1uwd s VAL 80 Ca 0.57 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 64.08 1uwd s VAL 80 Cb 0.25 -4.44 0.09 0.00 0.00 0.00 0.00 36.38 32.28 1uwd s VAL 80 CO -0.13 -0.60 1.06 -0.70 0.00 0.00 0.00 175.10 174.73 1uwd s GLU 81 N 3.86 1.86 -0.37 2.72 2.12 0.48 -4.93 118.70 124.44 1uwd s GLU 81 Ca 0.47 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.39 1uwd s GLU 81 Cb -0.11 -2.15 0.15 0.00 0.26 0.00 0.00 34.13 32.28 1uwd s GLU 81 CO 0.19 -1.46 0.28 -1.17 -0.54 0.00 0.00 175.26 172.56 1uwd s LEU 82 N -5.33 0.85 -0.88 2.70 2.96 -1.25 -3.59 118.68 114.14 1uwd s LEU 82 Ca 0.63 -2.29 -0.21 0.00 -0.22 0.00 0.00 54.13 52.04 1uwd s LEU 82 Cb -0.09 -0.20 0.09 0.00 0.50 0.00 0.00 46.19 46.50 1uwd s LEU 82 CO 0.46 -0.26 1.17 -0.89 -1.32 0.00 0.00 176.35 175.51 1uwd s THR 83 N 0.88 4.40 -0.78 3.68 2.01 0.02 -4.86 115.64 120.99 1uwd s THR 83 Ca 0.22 -1.02 0.17 0.00 0.31 0.00 0.00 61.69 61.37 1uwd s THR 83 Cb -0.15 -4.83 -0.19 0.00 0.01 0.00 0.00 72.50 67.34 1uwd s THR 83 CO -0.05 -1.61 0.72 0.49 -0.69 0.00 0.00 174.62 173.49 1uwd n PHE 84 N 7.48 0.00 0.33 4.92 3.72 -1.26 -4.35 117.46 128.31 1uwd n PHE 84 Ca 0.19 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.42 1uwd n PHE 84 Cb 0.49 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.70 -3.98 4.37 1.82 -2.02 -3.44 116.42 112.47 1uwd h ASP 85 Ca 0.00 -0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.17 1uwd h ASP 85 Cb 0.43 0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.63 1uwd h ASP 85 CO 0.00 -0.45 0.39 -2.16 -1.61 0.00 0.00 179.24 175.40 1uwd s PRO 86 N -5.74 4.20 0.18 0.28 0.04 -1.26 -4.99 135.00 127.70 1uwd s PRO 86 Ca -0.17 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1uwd s PRO 86 Cb 0.03 -2.47 -0.08 0.00 0.04 0.00 0.00 34.50 32.02 1uwd s PRO 86 CO 0.59 -0.09 1.24 -1.25 0.04 0.00 0.00 177.00 177.53 1uwd s PRO 87 N -2.63 4.45 0.00 0.56 0.04 -1.26 -5.03 135.00 131.13 1uwd s PRO 87 Ca 0.58 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1uwd s PRO 87 Cb -0.19 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1uwd s PRO 87 CO 0.24 -0.16 0.00 1.87 0.04 0.00 0.00 177.00 178.98 1uwd n TRP 88 N 2.71 0.00 0.00 0.56 -0.00 -1.26 -5.11 117.44 114.34 1uwd n TRP 88 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 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 0.25 -0.00 0.00 0.00 177.69 177.94 1uwd n THR 89 N 0.00 0.00 0.32 5.87 -2.24 -1.26 -5.05 114.28 111.92 1uwd n THR 89 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1uwd n THR 89 Cb 0.00 0.00 1.04 0.00 -2.10 0.00 0.00 70.33 69.27 1uwd n THR 89 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1uwd h PRO 90 N 0.00 0.00 0.00 -0.78 0.13 -1.95 -0.93 132.00 128.47 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 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1uwd n GLU 91 N -3.08 0.85 0.23 0.86 0.00 -1.26 -2.88 120.64 115.36 1uwd n GLU 91 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.23 1uwd n GLU 91 Cb 0.15 -1.50 0.56 0.00 0.00 0.00 0.00 31.44 30.65 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1uwd h ARG 92 N 0.00 0.00 -7.31 3.44 3.08 -1.41 -3.44 114.38 108.74 1uwd h ARG 92 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1uwd h ARG 92 Cb 0.00 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.19 1uwd h ARG 92 CO 0.00 0.22 0.29 -1.64 -1.07 0.00 0.00 179.97 177.77 1uwd s MET 93 N -4.13 1.89 0.83 0.04 -1.94 -1.14 -4.30 119.30 110.55 1uwd s MET 93 Ca -0.02 1.14 -0.13 0.00 -1.71 0.00 0.00 55.69 54.97 1uwd s MET 93 Cb 0.13 -1.86 0.08 0.00 2.01 0.00 0.00 34.83 35.19 1uwd s MET 93 CO 0.64 -1.89 1.10 0.43 -0.01 0.00 0.00 175.02 175.29 1uwd n SER 94 N -3.69 0.58 0.12 3.03 7.64 -1.26 -4.71 113.62 115.33 1uwd n SER 94 Ca 0.09 0.55 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1uwd n SER 94 Cb 0.53 -1.47 0.60 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.04 0.14 -0.69 1.43 0.13 -1.96 -0.75 132.00 129.26 1uwd h PRO 95 Ca -0.46 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1uwd h PRO 95 Cb 1.30 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1uwd h PRO 95 CO 0.44 0.09 0.19 0.93 -0.23 0.00 0.00 178.00 179.43 1uwd h GLU 96 N 0.14 1.08 0.01 0.86 5.08 -1.99 -0.12 114.58 119.64 1uwd h GLU 96 Ca 0.12 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1uwd h GLU 96 Cb 0.29 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1uwd h GLU 96 CO -0.02 0.94 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.89 1uwd h LEU 97 N 1.03 0.60 -0.42 1.33 3.38 -1.58 -1.27 115.31 118.38 1uwd h LEU 97 Ca 0.22 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1uwd h LEU 97 Cb 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1uwd h LEU 97 CO -0.00 1.29 0.17 0.03 0.09 0.00 0.00 178.44 180.02 1uwd h ARG 98 N 0.25 0.35 -0.34 1.13 3.08 -0.69 0.12 114.38 118.27 1uwd h ARG 98 Ca -0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1uwd h ARG 98 Cb 1.62 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 1uwd h ARG 98 CO 0.17 0.23 0.18 0.93 -1.07 0.00 0.00 179.97 180.42 1uwd h GLU 99 N 0.36 0.48 0.36 0.04 5.08 -1.04 0.49 114.58 120.35 1uwd h GLU 99 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1uwd h GLU 99 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1uwd h GLU 99 CO -0.17 0.41 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.80 1uwd h LYS 100 N 0.43 -0.55 0.00 2.33 3.64 -0.53 -3.01 116.57 118.87 1uwd h LYS 100 Ca 0.12 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1uwd h LYS 100 Cb 0.08 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1uwd h LYS 100 CO -0.02 -0.37 0.00 0.74 -2.27 0.00 0.00 179.45 177.53 1uwd h PHE 101 N -0.57 0.00 0.00 1.91 -1.00 -0.80 -3.48 116.94 113.00 1uwd h PHE 101 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1uwd h PHE 101 Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1uwd h PHE 101 CO -0.10 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.01 1uwd n GLY 102 N 0.89 1.24 0.00 -1.45 0.00 0.05 -5.07 105.19 100.85 1uwd n GLY 102 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70