#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 -2.33 -0.36 7.83 3.41 -1.26 -5.11 113.62 115.80 1uwd n SER 3 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1uwd n SER 3 Cb 0.00 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1uwd n SER 3 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1uwd n LYS 4 N 2.77 0.00 -1.26 4.33 2.85 -1.26 -5.05 118.16 120.55 1uwd n LYS 4 Ca 0.22 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.60 1uwd n LYS 4 Cb 0.54 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.85 1uwd n LYS 4 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1uwd n LYS 5 N -0.72 -3.00 -4.30 -1.58 2.85 -1.26 -5.04 118.16 105.11 1uwd n LYS 5 Ca 0.00 2.43 -0.22 0.00 -1.05 0.00 0.00 58.31 59.47 1uwd n LYS 5 Cb 0.00 -3.37 -0.12 0.00 -0.65 0.00 0.00 35.03 30.89 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 -4.34 1.72 0.17 0.58 1.01 -1.26 -4.84 120.40 113.44 1uwd s VAL 6 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 61.98 60.22 1uwd s VAL 6 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1uwd s VAL 6 CO 0.00 -0.23 0.07 0.42 0.00 0.00 0.00 175.10 175.36 1uwd s THR 7 N -1.73 0.18 0.42 3.92 -4.23 -1.26 -4.84 115.64 108.11 1uwd s THR 7 Ca 0.11 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 58.80 1uwd s THR 7 Cb -0.07 -2.23 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1uwd s THR 7 CO 0.05 -0.30 1.96 0.07 -0.54 0.00 0.00 174.62 175.86 1uwd h LYS 8 N 2.74 0.08 -0.08 3.99 2.10 -1.93 -0.91 116.57 122.55 1uwd h LYS 8 Ca -0.36 -0.02 -0.15 0.00 -2.00 0.00 0.00 60.65 58.13 1uwd h LYS 8 Cb 1.22 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1uwd h LYS 8 CO 0.58 0.26 -0.61 1.49 -2.00 0.00 0.00 179.45 179.17 1uwd h GLU 9 N 0.07 0.27 -0.04 0.07 4.81 -1.97 -1.73 114.58 116.07 1uwd h GLU 9 Ca 0.01 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.83 1uwd h GLU 9 Cb 0.36 0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.79 1uwd h GLU 9 CO 0.02 0.80 -0.86 -0.44 -0.73 0.00 0.00 179.01 177.80 1uwd h ASP 10 N 0.20 0.82 -0.91 1.04 3.32 -1.80 -2.41 116.42 116.69 1uwd h ASP 10 Ca -0.01 -0.71 0.09 0.00 0.02 0.00 0.00 57.03 56.42 1uwd h ASP 10 Cb 1.12 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 1uwd h ASP 10 CO 0.10 1.42 0.59 0.58 -1.72 0.00 0.00 179.24 180.20 1uwd h VAL 11 N 0.30 1.00 -0.01 -1.35 2.07 -1.04 0.19 116.25 117.41 1uwd h VAL 11 Ca -0.10 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1uwd h VAL 11 Cb 1.52 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1uwd h VAL 11 CO 0.17 0.17 -0.01 -0.07 0.02 0.00 0.00 177.57 177.86 1uwd h LEU 12 N 0.94 0.02 -1.88 2.57 3.38 -1.31 -0.82 115.31 118.22 1uwd h LEU 12 Ca 0.41 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1uwd h LEU 12 Cb 0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1uwd h LEU 12 CO -0.17 0.54 0.23 0.78 0.09 0.00 0.00 178.44 179.90 1uwd h ASN 13 N -0.50 0.13 0.05 -0.43 2.35 -0.90 0.42 115.58 116.71 1uwd h ASN 13 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1uwd h ASN 13 Cb 0.53 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.89 1uwd h ASN 13 CO 0.00 0.09 -0.71 0.00 -1.65 0.00 0.00 177.43 175.16 1uwd h ALA 14 N 1.83 0.01 -0.08 -0.83 0.00 -0.55 -3.31 119.26 116.34 1uwd h ALA 14 Ca 0.15 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1uwd h ALA 14 Cb 0.40 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1uwd h ALA 14 CO -0.02 0.38 -0.25 -0.07 0.00 0.00 0.00 179.25 179.28 1uwd h LEU 15 N -0.17 0.13 0.00 0.00 3.38 -0.31 -2.90 115.31 115.44 1uwd h LEU 15 Ca -0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1uwd h LEU 15 Cb 1.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1uwd h LEU 15 CO 0.14 0.39 0.05 0.29 0.09 0.00 0.00 178.44 179.40 1uwd n LYS 16 N -4.19 0.00 -0.08 1.13 5.02 0.06 -1.48 118.16 118.62 1uwd n LYS 16 Ca -0.01 0.17 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1uwd n LYS 16 Cb 0.34 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.10 0.61 -4.76 4.39 3.02 -1.10 -4.90 115.26 111.43 1uwd n ASN 17 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1uwd n ASN 17 Cb 0.05 1.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.32 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 3.13 -0.01 2.41 1.01 -0.55 -5.04 120.40 118.86 1uwd s VAL 18 Ca -0.09 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1uwd s VAL 18 Cb 0.06 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1uwd s VAL 18 CO 0.73 -0.48 -0.03 -0.63 0.00 0.00 0.00 175.10 174.69 1uwd s ILE 19 N -2.93 0.30 -0.29 2.22 -1.09 -1.26 -3.95 121.20 114.20 1uwd s ILE 19 Ca 0.62 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.62 1uwd s ILE 19 Cb -0.17 -0.28 -0.00 0.00 -1.58 0.00 0.00 42.46 40.43 1uwd s ILE 19 CO 0.56 0.10 1.31 -1.81 -1.23 0.00 0.00 174.94 173.88 1uwd s ASP 20 N 0.12 6.68 0.00 3.58 -0.00 -0.40 -4.92 116.67 121.74 1uwd s ASP 20 Ca -0.01 1.26 0.05 0.00 -0.00 0.00 0.00 52.55 53.85 1uwd s ASP 20 Cb -0.04 -2.54 0.24 0.00 -0.00 0.00 0.00 42.92 40.58 1uwd s ASP 20 CO -0.00 -1.06 1.13 0.49 -0.00 0.00 0.00 175.17 175.72 1uwd n PHE 21 N 7.59 0.00 0.04 4.23 3.01 -1.26 -0.72 117.46 130.34 1uwd n PHE 21 Ca 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.58 1uwd n PHE 21 Cb 0.46 -0.45 0.22 0.00 -0.01 0.00 0.00 39.48 39.70 1uwd n PHE 21 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1uwd h GLU 22 N 0.00 0.42 0.00 -1.08 4.81 -1.96 -3.42 114.58 113.35 1uwd h GLU 22 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1uwd h GLU 22 Cb 0.08 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1uwd h GLU 22 CO 0.00 0.66 -0.64 1.28 -0.73 0.00 0.00 179.01 179.58 1uwd n LEU 23 N -4.12 1.43 0.00 1.64 7.99 -0.08 -5.05 117.00 118.81 1uwd n LEU 23 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1uwd n LEU 23 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 1uwd n LEU 23 CO 0.42 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1uwd n GLY 24 N 2.60 0.66 3.35 -0.72 0.00 0.10 -5.05 105.19 106.13 1uwd n GLY 24 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 2.39 0.37 0.99 1.43 -1.26 -4.95 118.68 117.66 1uwd s LEU 25 Ca 0.00 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 51.89 1uwd s LEU 25 Cb 0.00 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 1uwd s LEU 25 CO 0.00 -0.38 0.67 1.51 0.23 0.00 0.00 176.35 178.38 1uwd s ASP 26 N -3.33 6.43 0.61 2.29 -4.77 -1.25 -1.27 116.67 115.38 1uwd s ASP 26 Ca 0.26 0.88 0.36 0.00 -3.30 0.00 0.00 52.55 50.74 1uwd s ASP 26 Cb 0.04 -2.22 1.99 0.00 -1.09 0.00 0.00 42.92 41.64 1uwd s ASP 26 CO 0.08 -0.34 2.26 -0.37 0.70 0.00 0.00 175.17 177.50 1uwd h VAL 27 N 1.02 0.29 0.16 2.11 -1.51 -1.80 0.12 116.25 116.65 1uwd h VAL 27 Ca -0.48 -0.11 -0.30 0.00 -1.23 0.00 0.00 66.70 64.58 1uwd h VAL 27 Cb 1.19 1.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1uwd h VAL 27 CO 0.64 0.02 -1.37 0.58 -1.23 0.00 0.00 177.57 176.21 1uwd h VAL 28 N 0.00 1.37 -0.58 7.19 2.07 -1.92 -0.49 116.25 123.89 1uwd h VAL 28 Ca -0.00 -2.92 -0.08 0.00 0.82 0.00 0.00 66.70 64.52 1uwd h VAL 28 Cb 0.08 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1uwd h VAL 28 CO 0.00 0.86 0.04 0.28 0.02 0.00 0.00 177.57 178.77 1uwd h SER 29 N 0.09 0.94 0.62 0.57 0.02 -1.52 -2.27 113.55 112.00 1uwd h SER 29 Ca -0.19 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1uwd h SER 29 Cb 2.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1uwd h SER 29 CO 0.21 0.98 0.00 0.18 -1.14 0.00 0.00 176.83 177.06 1uwd n LEU 30 N -4.20 0.00 -1.89 5.07 4.32 0.28 -2.98 117.00 117.60 1uwd n LEU 30 Ca 0.03 0.43 -0.21 0.00 -0.02 0.00 0.00 56.01 56.24 1uwd n LEU 30 Cb 0.31 -0.43 -0.06 0.00 -1.62 0.00 0.00 43.42 41.62 1uwd n LEU 30 CO 0.43 -0.12 -0.22 0.61 -1.22 0.00 0.00 177.39 176.87 1uwd n GLY 31 N 0.65 1.09 0.24 -0.72 0.00 -0.23 -4.14 105.19 102.08 1uwd n GLY 31 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1uwd n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uwd h LEU 32 N 0.00 0.00 -8.95 0.99 3.38 -1.75 -3.44 115.31 105.54 1uwd h LEU 32 Ca -0.45 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.95 1uwd h LEU 32 Cb 1.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1uwd h LEU 32 CO 0.61 0.00 1.05 -0.69 0.09 0.00 0.00 178.44 179.50 1uwd s VAL 33 N -3.49 3.93 -0.05 1.22 1.01 -1.26 -3.57 120.40 118.18 1uwd s VAL 33 Ca 0.03 1.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.78 1uwd s VAL 33 Cb 0.08 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.25 1uwd s VAL 33 CO 0.57 -0.46 1.12 1.88 0.00 0.00 0.00 175.10 178.21 1uwd h TYR 34 N 10.15 -0.01 -3.84 5.22 0.05 -1.15 -3.49 116.97 123.89 1uwd h TYR 34 Ca -0.29 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.40 1uwd h TYR 34 Cb 1.12 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.73 1uwd h TYR 34 CO 0.91 0.60 -0.38 0.34 -1.05 0.00 0.00 178.16 178.58 1uwd s ASP 35 N -5.81 0.12 -0.24 3.88 3.68 -0.84 -4.98 116.67 112.49 1uwd s ASP 35 Ca -0.16 -0.70 -0.03 0.00 2.13 0.00 0.00 52.55 53.78 1uwd s ASP 35 Cb 0.00 0.35 0.11 0.00 -1.45 0.00 0.00 42.92 41.93 1uwd s ASP 35 CO 0.66 -0.75 0.23 -0.63 0.13 0.00 0.00 175.17 174.82 1uwd s ILE 36 N -3.88 -0.31 -0.18 4.11 1.01 -1.26 -1.55 121.20 119.14 1uwd s ILE 36 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1uwd s ILE 36 Cb 0.05 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1uwd s ILE 36 CO -0.09 -0.35 -0.15 -1.10 0.00 0.00 0.00 174.94 173.25 1uwd s GLN 37 N 2.31 3.15 -0.19 2.79 -0.21 0.02 -4.86 119.66 122.65 1uwd s GLN 37 Ca 0.08 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1uwd s GLN 37 Cb -0.15 -2.67 0.04 0.00 1.00 0.00 0.00 33.01 31.23 1uwd s GLN 37 CO -0.21 -0.12 -0.10 0.42 -2.12 0.00 0.00 175.29 173.16 1uwd s ILE 38 N 1.14 1.54 0.79 1.08 -1.09 -1.26 -0.76 121.20 122.64 1uwd s ILE 38 Ca 0.01 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.40 1uwd s ILE 38 Cb -0.14 -1.62 0.07 0.00 -1.58 0.00 0.00 42.46 39.19 1uwd s ILE 38 CO -0.06 0.19 1.16 -0.62 -1.23 0.00 0.00 174.94 174.38 1uwd s ASP 39 N 1.45 4.64 0.44 3.58 2.15 -1.04 -4.89 116.67 122.99 1uwd s ASP 39 Ca -0.00 0.87 0.21 0.00 0.43 0.00 0.00 52.55 54.06 1uwd s ASP 39 Cb -0.16 -1.43 1.03 0.00 -0.30 0.00 0.00 42.92 42.06 1uwd s ASP 39 CO -0.08 -1.83 1.91 -0.78 -0.17 0.00 0.00 175.17 174.21 1uwd h ASP 40 N -1.00 0.00 0.00 -0.34 3.58 -1.95 0.34 116.42 117.05 1uwd h ASP 40 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1uwd h ASP 40 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1uwd h ASP 40 CO 0.65 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 177.26 1uwd n GLN 41 N -3.72 0.95 -0.81 0.28 1.13 -1.26 -4.82 117.38 109.13 1uwd n GLN 41 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1uwd n GLN 41 Cb 0.36 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -0.01 -2.04 -4.52 1.08 3.02 0.11 -4.71 115.26 108.19 1uwd n ASN 42 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1uwd n ASN 42 Cb 0.22 -1.99 -0.12 0.00 -0.61 0.00 0.00 39.78 37.28 1uwd n ASN 42 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uwd n ASN 43 N -0.27 0.71 -4.64 6.41 5.03 -1.23 -4.58 115.26 116.70 1uwd n ASN 43 Ca 0.00 -0.36 -0.43 0.00 0.87 0.00 0.00 54.58 54.66 1uwd n ASN 43 Cb 0.14 -1.13 -0.02 0.00 -1.02 0.00 0.00 39.78 37.75 1uwd n ASN 43 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1uwd s VAL 44 N 8.97 4.58 -0.10 2.41 1.01 -1.16 -2.49 120.40 133.63 1uwd s VAL 44 Ca 1.19 1.71 0.04 0.00 0.00 0.00 0.00 61.98 64.92 1uwd s VAL 44 Cb -0.74 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.28 1uwd s VAL 44 CO 0.39 -0.40 -0.23 -0.75 0.00 0.00 0.00 175.10 174.11 1uwd s LYS 45 N 3.47 2.94 -0.12 2.72 2.20 0.06 -1.83 119.74 129.19 1uwd s LYS 45 Ca 0.43 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1uwd s LYS 45 Cb -0.13 -2.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1uwd s LYS 45 CO 0.13 0.18 0.02 0.08 -0.36 0.00 0.00 175.35 175.40 1uwd s VAL 46 N 0.34 0.40 -0.54 4.02 1.01 -0.68 -0.80 120.40 124.14 1uwd s VAL 46 Ca -0.18 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1uwd s VAL 46 Cb -0.18 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1uwd s VAL 46 CO 0.08 0.07 1.19 -0.76 0.00 0.00 0.00 175.10 175.68 1uwd s LEU 47 N 1.94 3.51 0.00 3.92 1.02 -0.59 -0.88 118.68 127.60 1uwd s LEU 47 Ca 0.03 0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.43 1uwd s LEU 47 Cb -0.14 -3.30 -0.00 0.00 0.02 0.00 0.00 46.19 42.77 1uwd s LEU 47 CO -0.06 -1.42 0.03 0.80 0.02 0.00 0.00 176.35 175.72 1uwd n MET 48 N 8.25 0.87 -3.88 1.70 1.56 -0.42 -0.61 117.12 124.59 1uwd n MET 48 Ca 0.10 -3.16 -0.08 0.00 -0.27 0.00 0.00 57.70 54.29 1uwd n MET 48 Cb 0.49 1.02 -0.02 0.00 2.15 0.00 0.00 33.22 36.86 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 -2.65 0.00 0.33 1.12 -1.32 -1.23 -0.53 115.64 111.37 1uwd s THR 49 Ca 0.04 -1.09 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 1uwd s THR 49 Cb 0.00 -2.16 -0.01 0.00 -1.51 0.00 0.00 72.50 68.82 1uwd s THR 49 CO 0.03 0.00 0.46 -0.04 -2.21 0.00 0.00 174.62 172.86 1uwd s MET 50 N -3.71 3.09 0.25 7.08 -1.94 -1.26 -4.90 119.30 117.91 1uwd s MET 50 Ca 0.14 -1.03 -0.06 0.00 -1.71 0.00 0.00 55.69 53.03 1uwd s MET 50 Cb -0.05 -2.80 0.27 0.00 2.01 0.00 0.00 34.83 34.26 1uwd s MET 50 CO 0.08 0.06 1.92 0.00 -0.01 0.00 0.00 175.02 177.07 1uwd h THR 51 N 0.91 1.23 -3.93 2.05 1.03 -2.00 -3.46 112.91 108.74 1uwd h THR 51 Ca -0.46 -0.44 -0.26 0.00 -0.01 0.00 0.00 66.41 65.24 1uwd h THR 51 Cb 1.26 -0.18 -0.20 0.00 -1.07 0.00 0.00 68.15 67.96 1uwd h THR 51 CO 0.53 0.24 -0.72 0.42 -0.01 0.00 0.00 175.52 175.97 1uwd s THR 52 N -6.11 0.56 -0.83 0.00 -4.23 -1.26 -4.83 115.64 98.94 1uwd s THR 52 Ca -0.13 -1.30 0.25 0.00 -1.18 0.00 0.00 61.69 59.33 1uwd s THR 52 Cb 0.18 -0.88 0.24 0.00 1.34 0.00 0.00 72.50 73.38 1uwd s THR 52 CO 0.81 -0.52 1.77 -0.81 -0.54 0.00 0.00 174.62 175.33 1uwd n PRO 53 N 1.07 0.12 0.25 3.99 -0.04 -1.26 -3.96 135.00 135.16 1uwd n PRO 53 Ca -0.20 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 1uwd n PRO 53 Cb 0.56 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1uwd n PRO 53 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1uwd h MET 54 N 0.00 -0.62 -2.58 0.54 -1.53 -2.00 -3.50 114.93 105.23 1uwd h MET 54 Ca 0.00 0.04 0.24 0.00 -3.44 0.00 0.00 59.70 56.54 1uwd h MET 54 Cb 0.51 0.14 -0.10 0.00 -0.55 0.00 0.00 31.60 31.60 1uwd h MET 54 CO 0.00 -0.41 -0.64 0.00 0.14 0.00 0.00 176.91 176.00 1uwd h PRO 56 N -1.27 -0.15 -2.04 0.00 0.13 -1.97 -3.44 132.00 123.26 1uwd h PRO 56 Ca -0.07 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.52 1uwd h PRO 56 Cb 1.19 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 1uwd h PRO 56 CO 0.04 -0.10 -1.03 1.47 -0.23 0.00 0.00 178.00 178.14 1uwd n LEU 57 N -3.77 1.06 -0.22 1.56 -0.00 -1.26 -5.03 117.00 109.34 1uwd n LEU 57 Ca -0.02 -4.93 -0.03 0.00 -0.00 0.00 0.00 56.01 51.03 1uwd n LEU 57 Cb 0.06 0.41 0.03 0.00 -0.00 0.00 0.00 43.42 43.92 1uwd n LEU 57 CO 0.05 2.14 0.65 0.00 -0.00 0.00 0.00 177.39 180.22 1uwd h ALA 58 N 3.73 0.11 -0.56 1.47 0.00 -1.86 -1.94 119.26 120.21 1uwd h ALA 58 Ca 0.10 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1uwd h ALA 58 Cb 0.85 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1uwd h ALA 58 CO 0.54 -0.60 0.37 0.78 0.00 0.00 0.00 179.25 180.34 1uwd h GLY 59 N -0.11 0.72 0.58 0.00 0.00 -1.98 0.40 103.07 102.67 1uwd h GLY 59 Ca 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1uwd h GLY 59 CO -0.71 0.21 -0.08 -0.33 0.00 0.00 0.00 176.54 175.62 1uwd h MET 60 N 0.62 -0.22 -0.63 4.80 2.07 -1.79 -2.02 114.93 117.76 1uwd h MET 60 Ca 0.23 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.90 1uwd h MET 60 Cb 0.13 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.87 1uwd h MET 60 CO -0.06 0.15 0.39 0.82 1.07 0.00 0.00 176.91 179.28 1uwd h ILE 61 N -0.66 1.08 -0.82 -1.22 2.04 -1.10 0.14 117.51 116.97 1uwd h ILE 61 Ca -0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1uwd h ILE 61 Cb 0.48 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1uwd h ILE 61 CO 0.04 0.14 0.48 -0.07 0.00 0.00 0.00 178.15 178.74 1uwd h LEU 62 N 0.76 1.00 -1.20 1.44 3.38 -1.00 -0.46 115.31 119.23 1uwd h LEU 62 Ca 0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1uwd h LEU 62 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1uwd h LEU 62 CO -0.10 0.78 -0.18 0.28 0.09 0.00 0.00 178.44 179.31 1uwd h SER 63 N 1.13 0.00 0.01 -0.43 0.02 -0.57 -1.71 113.55 112.00 1uwd h SER 63 Ca 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1uwd h SER 63 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1uwd h SER 63 CO -0.05 0.18 -0.20 -0.78 -1.14 0.00 0.00 176.83 174.83 1uwd h ASP 64 N 0.00 0.16 -0.17 3.07 -0.00 -0.03 -0.25 116.42 119.20 1uwd h ASP 64 Ca -0.00 -0.85 0.02 0.00 -0.00 0.00 0.00 57.03 56.20 1uwd h ASP 64 Cb 0.69 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.95 1uwd h ASP 64 CO 0.02 0.99 0.02 0.00 -0.00 0.00 0.00 179.24 180.27 1uwd h ALA 65 N 0.17 0.17 -0.75 -0.78 0.00 -1.16 -1.37 119.26 115.54 1uwd h ALA 65 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1uwd h ALA 65 Cb 1.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1uwd h ALA 65 CO 0.04 -0.41 0.49 1.49 0.00 0.00 0.00 179.25 180.86 1uwd h GLU 66 N 0.09 0.78 -0.47 0.00 4.81 -1.37 -1.50 114.58 116.93 1uwd h GLU 66 Ca 0.08 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1uwd h GLU 66 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1uwd h GLU 66 CO -0.11 0.52 0.08 1.49 -0.73 0.00 0.00 179.01 180.26 1uwd h GLU 67 N 0.81 0.73 -0.36 1.92 4.81 0.00 0.24 114.58 122.73 1uwd h GLU 67 Ca 0.32 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1uwd h GLU 67 Cb 0.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1uwd h GLU 67 CO -0.11 0.69 -0.09 0.00 -0.73 0.00 0.00 179.01 178.77 1uwd h ALA 68 N 1.39 0.50 -0.19 2.92 0.00 -0.39 -2.89 119.26 120.59 1uwd h ALA 68 Ca 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uwd h ALA 68 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1uwd h ALA 68 CO 0.00 0.35 0.05 0.82 0.00 0.00 0.00 179.25 180.47 1uwd h ILE 69 N 0.49 1.20 0.00 0.00 2.04 -0.78 -3.07 117.51 117.40 1uwd h ILE 69 Ca 0.09 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1uwd h ILE 69 Cb 0.60 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1uwd h ILE 69 CO 0.04 0.20 0.00 2.29 0.00 0.00 0.00 178.15 180.68 1uwd n LYS 70 N -4.79 0.11 0.00 2.37 2.85 0.79 -3.31 118.16 116.19 1uwd n LYS 70 Ca -0.04 0.26 0.14 0.00 -1.05 0.00 0.00 58.31 57.62 1uwd n LYS 70 Cb 0.17 -1.68 0.54 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.88 0.31 -1.03 -1.58 2.85 -1.09 -4.47 118.16 111.26 1uwd n LYS 71 Ca 0.04 -0.10 -0.16 0.00 -1.05 0.00 0.00 58.31 57.05 1uwd n LYS 71 Cb 0.26 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.10 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 -1.26 2.86 -3.54 0.58 5.41 -1.21 -4.84 119.36 117.36 1uwd n ILE 72 Ca 0.10 -1.82 -0.22 0.00 1.00 0.00 0.00 62.75 61.81 1uwd n ILE 72 Cb 0.31 -1.61 -0.06 0.00 -0.71 0.00 0.00 39.64 37.57 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 1.23 -0.91 0.00 0.38 2.13 -1.26 -3.38 120.64 118.83 1uwd n GLU 73 Ca 0.34 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1uwd n GLU 73 Cb 0.64 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.89 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 -1.58 0.28 3.01 8.31 0.00 -1.26 -4.74 105.19 109.21 1uwd n GLY 74 Ca -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -0.31 1.61 3.14 -1.22 -4.72 118.33 116.83 1uwd n VAL 75 Ca 0.00 -0.04 -0.02 0.00 -2.96 0.00 0.00 64.34 61.32 1uwd n VAL 75 Cb 0.00 -1.21 0.02 0.00 -1.06 0.00 0.00 33.84 31.59 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 5.25 -0.56 -4.23 6.55 5.15 -1.26 -4.67 115.26 121.48 1uwd n ASN 76 Ca 0.10 1.40 -0.15 0.00 -0.60 0.00 0.00 54.58 55.33 1uwd n ASN 76 Cb 0.11 -0.30 -0.10 0.00 -0.53 0.00 0.00 39.78 38.95 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 -5.30 1.77 -0.53 1.20 4.22 -1.26 -5.09 114.94 109.95 1uwd s ASN 77 Ca -0.11 -0.94 0.04 0.00 -2.14 0.00 0.00 52.86 49.71 1uwd s ASN 77 Cb 0.15 -0.02 0.16 0.00 1.28 0.00 0.00 41.25 42.83 1uwd s ASN 77 CO 0.56 -0.29 0.37 -0.69 -2.04 0.00 0.00 177.10 175.02 1uwd s VAL 78 N -2.96 1.53 -1.13 3.54 1.01 -1.26 -2.97 120.40 118.16 1uwd s VAL 78 Ca 0.13 -3.22 -0.14 0.00 0.00 0.00 0.00 61.98 58.75 1uwd s VAL 78 Cb 0.00 -2.03 0.18 0.00 0.00 0.00 0.00 36.38 34.53 1uwd s VAL 78 CO 0.01 -1.07 1.30 -1.61 0.00 0.00 0.00 175.10 173.73 1uwd s GLU 79 N -0.43 4.00 -0.35 2.72 0.41 -0.76 -4.98 118.70 119.32 1uwd s GLU 79 Ca 0.26 -2.53 -0.20 0.00 -0.41 0.00 0.00 54.97 52.09 1uwd s GLU 79 Cb -0.06 -4.93 0.00 0.00 -1.78 0.00 0.00 34.13 27.36 1uwd s GLU 79 CO -0.14 -1.67 0.64 0.08 -0.49 0.00 0.00 175.26 173.69 1uwd s VAL 80 N 1.27 4.89 -0.19 2.63 1.01 -1.26 -1.68 120.40 127.07 1uwd s VAL 80 Ca 0.38 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 1uwd s VAL 80 Cb -0.05 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1uwd s VAL 80 CO -0.03 -0.28 0.53 -0.70 0.00 0.00 0.00 175.10 174.61 1uwd s GLU 81 N 2.70 4.21 -0.79 2.72 2.12 -0.06 -4.98 118.70 124.62 1uwd s GLU 81 Ca 0.25 0.44 -0.15 0.00 0.36 0.00 0.00 54.97 55.87 1uwd s GLU 81 Cb -0.14 -3.55 0.20 0.00 0.26 0.00 0.00 34.13 30.89 1uwd s GLU 81 CO 0.14 -0.12 0.76 -1.17 -0.54 0.00 0.00 175.26 174.33 1uwd s LEU 82 N 1.55 6.52 -1.04 2.70 2.96 -1.26 -1.31 118.68 128.79 1uwd s LEU 82 Ca 0.25 -2.49 -0.23 0.00 -0.22 0.00 0.00 54.13 51.44 1uwd s LEU 82 Cb -0.15 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1uwd s LEU 82 CO 0.10 -0.66 1.50 -0.89 -1.32 0.00 0.00 176.35 175.07 1uwd s THR 83 N 0.61 3.92 -0.97 3.68 2.01 0.31 -4.89 115.64 120.31 1uwd s THR 83 Ca 0.17 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1uwd s THR 83 Cb -0.13 -5.04 0.28 0.00 0.01 0.00 0.00 72.50 67.63 1uwd s THR 83 CO -0.07 -1.91 1.21 0.49 -0.69 0.00 0.00 174.62 173.64 1uwd n PHE 84 N 9.03 3.11 0.09 4.92 3.72 -1.26 -4.40 117.46 132.66 1uwd n PHE 84 Ca 0.35 -3.24 0.00 0.00 -0.05 0.00 0.00 57.45 54.51 1uwd n PHE 84 Cb 0.50 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 1uwd n PHE 84 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1uwd n ASP 85 N 1.48 -1.55 -4.75 4.37 -0.08 -1.26 -5.12 116.55 109.64 1uwd n ASP 85 Ca 0.26 0.45 -0.40 0.00 -1.51 0.00 0.00 54.79 53.59 1uwd n ASP 85 Cb 0.36 1.67 -0.05 0.00 2.34 0.00 0.00 41.12 45.44 1uwd n ASP 85 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1uwd s PRO 86 N -2.00 4.70 0.07 -0.67 0.04 -1.26 -4.95 135.00 130.92 1uwd s PRO 86 Ca 0.00 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 1uwd s PRO 86 Cb 0.00 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 1uwd s PRO 86 CO 0.00 0.26 1.63 -1.25 0.04 0.00 0.00 177.00 177.68 1uwd s PRO 87 N -0.92 4.20 0.00 0.56 0.04 -1.26 -4.98 135.00 132.64 1uwd s PRO 87 Ca 0.45 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1uwd s PRO 87 Cb -0.29 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1uwd s PRO 87 CO 0.36 -0.72 0.00 1.87 0.04 0.00 0.00 177.00 178.55 1uwd n TRP 88 N 5.50 0.00 0.00 0.56 -0.00 -1.26 -5.09 117.44 117.14 1uwd n TRP 88 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1uwd n TRP 88 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.72 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 0.26 5.87 -1.04 -1.26 -5.02 114.28 113.09 1uwd n THR 89 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1uwd n THR 89 Cb 0.00 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 69.22 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 -0.01 -2.82 0.13 -1.98 -2.67 132.00 124.65 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 0.05 1.05 -0.23 0.00 0.00 178.00 178.99 1uwd h GLU 91 N 0.00 0.00 0.00 0.86 -0.00 -1.96 -2.72 114.58 110.76 1uwd h GLU 91 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1uwd h GLU 91 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1uwd h GLU 91 CO 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 179.01 179.00 1uwd h ARG 92 N 0.00 0.00 -7.08 1.06 2.47 -1.75 -3.44 114.38 105.63 1uwd h ARG 92 Ca 0.00 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.32 1uwd h ARG 92 Cb 0.10 0.00 0.21 0.00 -1.65 0.00 0.00 29.97 28.64 1uwd h ARG 92 CO -0.00 0.02 -0.07 -1.64 0.56 0.00 0.00 179.97 178.84 1uwd s MET 93 N -4.32 -2.13 0.56 0.04 -1.94 -1.03 -3.83 119.30 106.66 1uwd s MET 93 Ca -0.04 0.42 -0.20 0.00 -1.71 0.00 0.00 55.69 54.16 1uwd s MET 93 Cb 0.14 -1.45 -0.06 0.00 2.01 0.00 0.00 34.83 35.47 1uwd s MET 93 CO 0.50 -4.42 1.07 0.43 -0.01 0.00 0.00 175.02 172.59 1uwd n SER 94 N -5.35 1.32 0.30 3.03 7.64 -1.16 -4.76 113.62 114.64 1uwd n SER 94 Ca 0.08 0.88 0.17 0.00 1.01 0.00 0.00 58.87 61.01 1uwd n SER 94 Cb 0.58 -1.43 0.96 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.89 0.00 -0.33 1.43 0.13 -1.93 -0.20 132.00 131.98 1uwd h PRO 95 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1uwd h PRO 95 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1uwd h PRO 95 CO 0.53 0.02 0.11 1.49 -0.23 0.00 0.00 178.00 179.93 1uwd h GLU 96 N 0.00 0.50 0.00 0.86 4.57 -2.00 -3.06 114.58 115.45 1uwd h GLU 96 Ca -0.00 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 1uwd h GLU 96 Cb 0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1uwd h GLU 96 CO 0.00 0.53 -0.50 -0.07 -1.18 0.00 0.00 179.01 177.80 1uwd h LEU 97 N 0.38 0.00 0.18 1.64 3.38 -1.39 0.12 115.31 119.62 1uwd h LEU 97 Ca 0.11 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1uwd h LEU 97 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1uwd h LEU 97 CO -0.00 0.50 -0.32 0.03 0.09 0.00 0.00 178.44 178.74 1uwd h ARG 98 N 0.00 -0.55 0.03 1.13 3.08 -1.43 -2.60 114.38 114.04 1uwd h ARG 98 Ca -0.00 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1uwd h ARG 98 Cb 1.32 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1uwd h ARG 98 CO 0.06 -0.37 -0.01 1.49 -1.07 0.00 0.00 179.97 180.07 1uwd h GLU 99 N -0.58 -0.04 -0.56 0.04 4.81 -1.43 -0.39 114.58 116.43 1uwd h GLU 99 Ca 0.02 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1uwd h GLU 99 Cb 0.58 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 1uwd h GLU 99 CO -0.15 0.37 0.04 -0.22 -0.73 0.00 0.00 179.01 178.32 1uwd h LYS 100 N -0.46 0.15 0.27 1.92 3.64 -1.00 -2.57 116.57 118.52 1uwd h LYS 100 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1uwd h LYS 100 Cb 0.43 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1uwd h LYS 100 CO 0.01 0.10 -0.13 0.74 -2.27 0.00 0.00 179.45 177.90 1uwd h PHE 101 N 0.15 -0.33 0.00 1.91 -1.00 -1.53 -3.50 116.94 112.64 1uwd h PHE 101 Ca 0.29 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1uwd h PHE 101 Cb 0.45 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1uwd h PHE 101 CO -0.31 -0.21 0.00 0.41 -1.61 0.00 0.00 178.31 176.59 1uwd n GLY 102 N 0.60 0.70 0.00 -1.45 0.00 -0.18 -5.11 105.19 99.76 1uwd n GLY 102 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1uwd n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65