#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 8.25 0.00 7.83 3.41 -1.26 -4.57 113.62 127.28 1uwd n SER 3 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1uwd n SER 3 Cb 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 1uwd n SER 3 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1uwd n LYS 4 N 3.19 0.00 -1.42 4.33 3.00 -1.25 -4.96 118.16 121.04 1uwd n LYS 4 Ca 0.72 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.65 1uwd n LYS 4 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.38 1uwd n LYS 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1uwd n LYS 5 N 0.00 0.41 -4.39 1.64 2.85 -1.26 -4.35 118.16 113.06 1uwd n LYS 5 Ca 0.00 0.16 -0.27 0.00 -1.05 0.00 0.00 58.31 57.15 1uwd n LYS 5 Cb 0.00 -1.56 -0.12 0.00 -0.65 0.00 0.00 35.03 32.71 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 -1.77 2.51 0.25 0.58 1.01 -1.26 -4.77 120.40 116.95 1uwd s VAL 6 Ca 0.66 -1.89 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1uwd s VAL 6 Cb -0.46 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1uwd s VAL 6 CO 0.57 -0.06 0.04 0.42 0.00 0.00 0.00 175.10 176.06 1uwd s THR 7 N -1.54 0.89 0.39 3.92 -4.23 -1.26 -4.82 115.64 109.00 1uwd s THR 7 Ca 0.20 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1uwd s THR 7 Cb -0.09 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1uwd s THR 7 CO 0.10 -0.18 2.01 0.07 -0.54 0.00 0.00 174.62 176.08 1uwd h LYS 8 N 2.40 0.62 -0.90 3.99 2.10 -1.92 -1.58 116.57 121.27 1uwd h LYS 8 Ca -0.39 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1uwd h LYS 8 Cb 1.23 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 1uwd h LYS 8 CO 0.64 0.41 0.55 1.49 -2.00 0.00 0.00 179.45 180.55 1uwd h GLU 9 N 0.64 1.22 0.09 0.07 4.81 -1.98 -0.84 114.58 118.58 1uwd h GLU 9 Ca 0.23 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 59.09 1uwd h GLU 9 Cb 0.11 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1uwd h GLU 9 CO -0.06 0.84 -1.15 0.22 -0.73 0.00 0.00 179.01 178.13 1uwd h ASP 10 N 1.24 0.59 -0.47 1.04 -0.00 -1.81 0.59 116.42 117.60 1uwd h ASP 10 Ca 0.33 -0.55 -0.04 0.00 -0.00 0.00 0.00 57.03 56.76 1uwd h ASP 10 Cb -0.07 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.05 1uwd h ASP 10 CO -0.06 1.39 0.15 0.58 -0.00 0.00 0.00 179.24 181.30 1uwd h VAL 11 N 0.18 1.21 -0.09 2.25 2.07 -1.08 0.56 116.25 121.36 1uwd h VAL 11 Ca -0.13 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1uwd h VAL 11 Cb 1.83 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1uwd h VAL 11 CO 0.20 0.28 -0.23 -0.07 0.02 0.00 0.00 177.57 177.78 1uwd h LEU 12 N 0.77 0.35 -0.90 2.57 3.38 -0.94 -1.42 115.31 119.12 1uwd h LEU 12 Ca 0.18 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1uwd h LEU 12 Cb 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1uwd h LEU 12 CO -0.01 0.88 -0.55 0.78 0.09 0.00 0.00 178.44 179.64 1uwd h ASN 13 N -0.16 0.00 -0.12 -0.43 2.35 -0.72 -1.96 115.58 114.54 1uwd h ASN 13 Ca -0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1uwd h ASN 13 Cb 0.84 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1uwd h ASN 13 CO 0.05 0.55 0.02 0.00 -1.65 0.00 0.00 177.43 176.40 1uwd h ALA 14 N 1.45 0.16 0.00 -0.83 0.00 0.11 -3.31 119.26 116.84 1uwd h ALA 14 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1uwd h ALA 14 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uwd h ALA 14 CO 0.07 -0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1uwd n LEU 15 N -4.83 0.09 -0.87 0.00 4.77 -0.54 -3.15 117.00 112.48 1uwd n LEU 15 Ca -0.06 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1uwd n LEU 15 Cb 0.18 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1uwd n LEU 15 CO 0.35 -0.22 0.17 0.29 -1.33 0.00 0.00 177.39 176.65 1uwd n LYS 16 N -1.60 0.39 0.00 3.23 5.02 -0.87 -2.48 118.16 121.87 1uwd n LYS 16 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1uwd n LYS 16 Cb 0.22 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.00 -4.17 4.39 3.02 -1.19 -5.00 115.26 112.98 1uwd n ASN 17 Ca 0.00 -0.04 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 1uwd n ASN 17 Cb 0.17 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uwd s VAL 18 N 0.00 4.69 -0.21 2.41 1.01 -1.03 -5.02 120.40 122.25 1uwd s VAL 18 Ca 0.00 -3.51 -0.29 0.00 0.00 0.00 0.00 61.98 58.18 1uwd s VAL 18 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1uwd s VAL 18 CO 0.00 -1.07 1.05 -0.63 0.00 0.00 0.00 175.10 174.46 1uwd s ILE 19 N -0.98 4.66 0.02 2.22 -1.09 -1.26 -3.14 121.20 121.63 1uwd s ILE 19 Ca 0.25 1.99 -0.30 0.00 -2.23 0.00 0.00 60.65 60.37 1uwd s ILE 19 Cb -0.10 -4.28 -0.08 0.00 -1.58 0.00 0.00 42.46 36.41 1uwd s ILE 19 CO -0.10 -0.15 1.81 -1.81 -1.23 0.00 0.00 174.94 173.46 1uwd s ASP 20 N 1.24 6.54 0.58 3.58 -0.00 0.06 -4.89 116.67 123.78 1uwd s ASP 20 Ca 0.46 2.52 0.27 0.00 -0.00 0.00 0.00 52.55 55.80 1uwd s ASP 20 Cb -0.16 -2.54 1.63 0.00 -0.00 0.00 0.00 42.92 41.85 1uwd s ASP 20 CO 0.08 -0.98 2.13 -0.26 -0.00 0.00 0.00 175.17 176.14 1uwd h PHE 21 N 9.72 0.00 -0.52 4.23 -1.00 -1.94 -1.30 116.94 126.13 1uwd h PHE 21 Ca -0.45 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.38 1uwd h PHE 21 Cb 1.21 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.69 1uwd h PHE 21 CO 0.89 0.00 -0.51 1.49 -1.61 0.00 0.00 178.31 178.57 1uwd h GLU 22 N 0.00 -0.25 0.00 1.51 4.22 -1.93 -3.34 114.58 114.79 1uwd h GLU 22 Ca 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1uwd h GLU 22 Cb 0.39 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1uwd h GLU 22 CO -0.00 -0.16 -1.13 1.28 -2.18 0.00 0.00 179.01 176.81 1uwd n LEU 23 N -5.08 0.00 0.00 1.64 7.99 -1.23 -5.04 117.00 115.28 1uwd n LEU 23 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1uwd n LEU 23 Cb 0.29 0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1uwd n LEU 23 CO -0.04 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1uwd n GLY 24 N 2.68 1.86 3.43 -0.72 0.00 -0.49 -5.10 105.19 106.85 1uwd n GLY 24 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.51 0.55 0.99 2.01 -1.23 -4.90 118.68 118.61 1uwd s LEU 25 Ca 0.00 -0.50 -0.20 0.00 0.01 0.00 0.00 54.13 53.44 1uwd s LEU 25 Cb 0.00 -1.45 -0.05 0.00 0.01 0.00 0.00 46.19 44.70 1uwd s LEU 25 CO 0.00 0.24 1.21 -1.81 1.01 0.00 0.00 176.35 177.00 1uwd s ASP 26 N -1.52 5.51 0.53 2.29 -0.00 -1.26 -0.76 116.67 121.45 1uwd s ASP 26 Ca 0.14 2.39 0.18 0.00 -0.00 0.00 0.00 52.55 55.26 1uwd s ASP 26 Cb -0.10 -2.60 1.33 0.00 -0.00 0.00 0.00 42.92 41.55 1uwd s ASP 26 CO 0.05 -1.38 2.14 -0.37 -0.00 0.00 0.00 175.17 175.61 1uwd h VAL 27 N 1.24 0.93 -0.25 -1.27 -1.51 -1.75 0.19 116.25 113.82 1uwd h VAL 27 Ca -0.50 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.82 1uwd h VAL 27 Cb 1.28 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1uwd h VAL 27 CO 0.57 0.00 -0.44 0.58 -1.23 0.00 0.00 177.57 177.05 1uwd h VAL 28 N 0.00 1.30 -0.16 7.19 2.07 -1.89 -0.47 116.25 124.28 1uwd h VAL 28 Ca 0.03 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1uwd h VAL 28 Cb 0.12 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1uwd h VAL 28 CO -0.00 0.52 0.05 0.28 0.02 0.00 0.00 177.57 178.43 1uwd h SER 29 N 0.51 0.24 -0.03 0.57 0.02 -1.55 -3.05 113.55 110.27 1uwd h SER 29 Ca 0.03 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1uwd h SER 29 Cb 0.97 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1uwd h SER 29 CO 0.09 0.39 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.10 1uwd h LEU 30 N 0.08 0.09 -2.41 5.07 3.38 -0.80 -3.38 115.31 117.34 1uwd h LEU 30 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1uwd h LEU 30 Cb 0.24 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 41.06 1uwd h LEU 30 CO -0.00 0.12 -0.41 0.61 0.09 0.00 0.00 178.44 178.85 1uwd n GLY 31 N -1.38 -0.05 0.08 0.83 0.00 -0.21 -3.32 105.19 101.14 1uwd n GLY 31 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.67 0.00 -9.88 0.99 3.38 -1.83 -3.47 115.31 103.83 1uwd h LEU 32 Ca -0.30 -0.15 -0.47 0.00 0.09 0.00 0.00 57.88 57.05 1uwd h LEU 32 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1uwd h LEU 32 CO 0.23 0.07 0.37 -0.69 0.09 0.00 0.00 178.44 178.51 1uwd s VAL 33 N -3.15 4.07 -0.26 1.22 1.01 -1.26 -3.92 120.40 118.10 1uwd s VAL 33 Ca 0.07 1.74 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1uwd s VAL 33 Cb 0.13 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 1uwd s VAL 33 CO 0.69 0.16 -0.34 -1.22 0.00 0.00 0.00 175.10 174.38 1uwd n TYR 34 N 0.56 0.00 -3.74 5.22 4.01 0.06 -5.01 117.16 118.27 1uwd n TYR 34 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 1uwd n TYR 34 Cb 0.49 -0.91 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 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 -7.26 -0.10 -0.19 7.72 -1.08 -0.96 -4.98 116.67 109.83 1uwd s ASP 35 Ca -0.36 -0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 51.26 1uwd s ASP 35 Cb 0.13 0.40 0.09 0.00 -1.46 0.00 0.00 42.92 42.09 1uwd s ASP 35 CO 0.46 -0.74 0.29 -0.63 0.52 0.00 0.00 175.17 175.07 1uwd s ILE 36 N -3.41 -0.45 -0.01 4.11 1.01 -1.26 -0.85 121.20 120.34 1uwd s ILE 36 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1uwd s ILE 36 Cb 0.02 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1uwd s ILE 36 CO -0.09 -0.06 -0.25 0.00 0.00 0.00 0.00 174.94 174.55 1uwd s GLN 37 N 2.44 1.96 -0.09 2.79 -2.07 0.32 -4.89 119.66 120.12 1uwd s GLN 37 Ca 0.06 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.67 1uwd s GLN 37 Cb -0.14 -1.93 0.03 0.00 -1.09 0.00 0.00 33.01 29.87 1uwd s GLN 37 CO -0.12 0.52 -0.04 0.42 -1.32 0.00 0.00 175.29 174.75 1uwd s ILE 38 N -0.62 0.74 0.92 3.63 -1.09 -1.26 -0.47 121.20 123.05 1uwd s ILE 38 Ca 0.10 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 1uwd s ILE 38 Cb -0.10 -0.81 0.14 0.00 -1.58 0.00 0.00 42.46 40.12 1uwd s ILE 38 CO -0.00 0.32 1.09 -1.81 -1.23 0.00 0.00 174.94 173.31 1uwd s ASP 39 N 1.74 3.27 0.48 3.58 1.11 -0.79 -4.87 116.67 121.19 1uwd s ASP 39 Ca 0.03 1.39 0.32 0.00 0.18 0.00 0.00 52.55 54.48 1uwd s ASP 39 Cb -0.13 -2.06 1.51 0.00 1.07 0.00 0.00 42.92 43.31 1uwd s ASP 39 CO -0.06 -2.75 1.97 -0.78 1.18 0.00 0.00 175.17 174.73 1uwd h ASP 40 N -1.63 0.00 -0.34 0.27 3.58 -1.95 0.10 116.42 116.46 1uwd h ASP 40 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1uwd h ASP 40 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1uwd h ASP 40 CO 0.56 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 1uwd n GLN 41 N -2.77 1.88 -2.18 0.28 3.00 -1.26 -4.93 117.38 111.40 1uwd n GLN 41 Ca -0.00 -1.25 -0.19 0.00 -0.01 0.00 0.00 57.00 55.55 1uwd n GLN 41 Cb 0.19 -1.32 -0.03 0.00 0.00 0.00 0.00 30.24 29.09 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1uwd n ASN 42 N 0.48 -5.26 -4.56 1.08 3.02 0.36 -4.56 115.26 105.82 1uwd n ASN 42 Ca 0.12 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.43 1uwd n ASN 42 Cb 0.32 -4.47 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 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 -2.19 5.32 -0.34 6.41 0.02 -1.26 -3.20 114.94 119.70 1uwd s ASN 43 Ca 0.00 0.56 -0.29 0.00 -1.02 0.00 0.00 52.86 52.11 1uwd s ASN 43 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.75 1uwd s ASN 43 CO 0.00 -2.30 1.33 -0.69 0.02 0.00 0.00 177.10 175.47 1uwd s VAL 44 N 8.94 4.06 -0.07 1.60 1.01 -0.66 -1.89 120.40 133.39 1uwd s VAL 44 Ca 0.72 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 1uwd s VAL 44 Cb -0.15 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1uwd s VAL 44 CO 0.23 -0.59 -0.04 -0.75 0.00 0.00 0.00 175.10 173.95 1uwd s LYS 45 N 4.43 1.02 0.05 2.72 2.20 0.38 -0.53 119.74 130.02 1uwd s LYS 45 Ca 0.58 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1uwd s LYS 45 Cb -0.15 -1.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1uwd s LYS 45 CO 0.27 -0.19 -0.07 0.08 -0.36 0.00 0.00 175.35 175.07 1uwd s VAL 46 N 1.46 0.51 -0.36 4.02 1.01 -0.49 -0.52 120.40 126.04 1uwd s VAL 46 Ca -0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 1uwd s VAL 46 Cb -0.13 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1uwd s VAL 46 CO -0.04 -0.54 0.12 -0.76 0.00 0.00 0.00 175.10 173.88 1uwd s LEU 47 N -1.97 4.54 0.00 3.92 1.02 -0.03 -1.16 118.68 125.01 1uwd s LEU 47 Ca -0.05 -1.48 0.02 0.00 0.02 0.00 0.00 54.13 52.64 1uwd s LEU 47 Cb -0.06 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 1uwd s LEU 47 CO -0.01 -0.39 0.06 0.80 0.02 0.00 0.00 176.35 176.83 1uwd n MET 48 N 4.70 0.85 -1.99 1.70 1.56 -1.03 -0.76 117.12 122.15 1uwd n MET 48 Ca -0.09 -2.66 -0.03 0.00 -0.27 0.00 0.00 57.70 54.64 1uwd n MET 48 Cb 0.43 1.11 0.01 0.00 2.15 0.00 0.00 33.22 36.92 1uwd n MET 48 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1uwd n THR 49 N -0.80 0.00 -4.42 1.12 5.66 -1.25 -0.58 114.28 114.01 1uwd n THR 49 Ca -0.09 -0.36 -0.21 0.00 -3.05 0.00 0.00 64.05 60.34 1uwd n THR 49 Cb 0.47 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.49 1uwd n THR 49 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1uwd s MET 50 N -2.04 1.55 0.14 1.09 -1.94 -1.26 -4.94 119.30 111.90 1uwd s MET 50 Ca 0.06 -1.81 -0.19 0.00 -1.71 0.00 0.00 55.69 52.03 1uwd s MET 50 Cb -0.02 -0.98 0.01 0.00 2.01 0.00 0.00 34.83 35.86 1uwd s MET 50 CO 0.04 -0.06 1.69 0.00 -0.01 0.00 0.00 175.02 176.68 1uwd h THR 51 N 2.25 0.71 -3.58 2.05 1.03 -1.99 -3.43 112.91 109.95 1uwd h THR 51 Ca -0.40 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 65.94 1uwd h THR 51 Cb 1.23 0.71 -0.11 0.00 -1.07 0.00 0.00 68.15 68.91 1uwd h THR 51 CO 0.68 0.00 -0.14 0.28 -0.01 0.00 0.00 175.52 176.33 1uwd s THR 52 N -6.20 0.05 0.48 0.00 -1.32 -1.26 -4.76 115.64 102.63 1uwd s THR 52 Ca -0.14 -1.05 0.36 0.00 -1.21 0.00 0.00 61.69 59.65 1uwd s THR 52 Cb 0.12 -1.67 0.38 0.00 -1.51 0.00 0.00 72.50 69.81 1uwd s THR 52 CO 0.69 -0.22 2.20 -0.65 -2.21 0.00 0.00 174.62 174.43 1uwd h PRO 53 N 2.37 0.00 0.00 7.08 0.11 -1.98 -3.32 132.00 136.25 1uwd h PRO 53 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1uwd h PRO 53 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1uwd h PRO 53 CO 0.43 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1uwd n MET 54 N -3.35 0.44 -1.54 1.05 0.00 -1.26 -4.87 117.12 107.59 1uwd n MET 54 Ca -0.02 0.04 -0.42 0.00 0.00 0.00 0.00 57.70 57.30 1uwd n MET 54 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.89 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 1.33 0.00 -0.90 0.00 0.13 -1.96 -1.46 132.00 129.13 1uwd h PRO 56 Ca -0.41 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1uwd h PRO 56 Cb 1.36 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.17 1uwd h PRO 56 CO 0.56 0.32 -0.95 1.47 -0.23 0.00 0.00 178.00 179.17 1uwd n LEU 57 N -3.37 0.24 -0.18 1.56 -0.00 -1.26 -5.02 117.00 108.97 1uwd n LEU 57 Ca 0.01 -3.93 -0.02 0.00 -0.00 0.00 0.00 56.01 52.06 1uwd n LEU 57 Cb 0.53 0.45 0.04 0.00 -0.00 0.00 0.00 43.42 44.44 1uwd n LEU 57 CO 0.36 1.84 0.73 0.00 -0.00 0.00 0.00 177.39 180.31 1uwd h ALA 58 N 2.79 0.29 -0.97 1.47 0.00 -1.60 -0.89 119.26 120.35 1uwd h ALA 58 Ca -0.10 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1uwd h ALA 58 Cb 1.15 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 1uwd h ALA 58 CO 0.34 -0.48 0.61 0.78 0.00 0.00 0.00 179.25 180.51 1uwd h GLY 59 N -0.04 1.52 0.71 0.00 0.00 -1.95 0.20 103.07 103.50 1uwd h GLY 59 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1uwd h GLY 59 CO -0.59 0.06 -0.00 1.98 0.00 0.00 0.00 176.54 177.99 1uwd h MET 60 N 0.81 -0.01 -0.47 4.80 -1.53 -1.61 -0.54 114.93 116.38 1uwd h MET 60 Ca 0.51 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.76 1uwd h MET 60 Cb 0.72 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.75 1uwd h MET 60 CO -0.28 0.28 0.25 0.82 0.14 0.00 0.00 176.91 178.12 1uwd h ILE 61 N -0.30 1.17 0.00 1.77 2.04 -0.77 0.13 117.51 121.56 1uwd h ILE 61 Ca -0.00 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1uwd h ILE 61 Cb 0.29 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1uwd h ILE 61 CO 0.00 0.19 -0.02 -0.07 0.00 0.00 0.00 178.15 178.25 1uwd h LEU 62 N 0.62 0.00 0.11 1.44 3.38 -0.60 -1.73 115.31 118.53 1uwd h LEU 62 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1uwd h LEU 62 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1uwd h LEU 62 CO -0.02 0.02 -0.05 -1.28 0.09 0.00 0.00 178.44 177.19 1uwd h SER 63 N 0.00 -0.13 -0.98 -0.43 0.87 -0.03 -3.35 113.55 109.50 1uwd h SER 63 Ca -0.00 -0.22 0.26 0.00 -1.23 0.00 0.00 61.79 60.59 1uwd h SER 63 Cb 0.20 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 1uwd h SER 63 CO 0.00 0.45 0.54 -0.78 -0.53 0.00 0.00 176.83 176.51 1uwd h ASP 64 N -1.00 0.55 0.53 6.23 1.82 -0.11 0.16 116.42 124.60 1uwd h ASP 64 Ca -0.02 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1uwd h ASP 64 Cb 0.34 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1uwd h ASP 64 CO 0.03 0.02 -0.27 0.00 -1.61 0.00 0.00 179.24 177.41 1uwd h ALA 65 N 1.76 -1.18 -0.97 -0.78 0.00 -1.66 -1.18 119.26 115.24 1uwd h ALA 65 Ca 0.65 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.52 1uwd h ALA 65 Cb 1.29 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 1uwd h ALA 65 CO -0.52 -1.13 0.62 1.49 0.00 0.00 0.00 179.25 179.70 1uwd h GLU 66 N -0.73 0.89 0.00 0.00 4.81 -1.19 0.14 114.58 118.50 1uwd h GLU 66 Ca -0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1uwd h GLU 66 Cb 0.57 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1uwd h GLU 66 CO 0.11 0.59 0.00 1.49 -0.73 0.00 0.00 179.01 180.47 1uwd h GLU 67 N 0.92 0.00 0.01 1.92 4.81 -0.73 0.18 114.58 121.69 1uwd h GLU 67 Ca 0.48 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 59.30 1uwd h GLU 67 Cb 0.54 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1uwd h GLU 67 CO -0.25 0.00 -2.41 0.00 -0.73 0.00 0.00 179.01 175.62 1uwd n ALA 68 N -1.91 1.27 -0.20 2.92 0.00 -0.22 -4.35 120.51 118.03 1uwd n ALA 68 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 53.44 52.43 1uwd n ALA 68 Cb 0.17 -0.07 0.30 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.44 1.11 0.00 0.00 2.04 -0.52 -0.50 117.51 119.22 1uwd h ILE 69 Ca -0.61 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1uwd h ILE 69 Cb 1.77 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1uwd h ILE 69 CO -0.22 0.16 0.00 2.29 0.00 0.00 0.00 178.15 180.39 1uwd n LYS 70 N -4.45 0.78 0.10 2.37 2.85 0.62 -2.76 118.16 117.66 1uwd n LYS 70 Ca 0.09 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.48 1uwd n LYS 70 Cb 0.12 -1.40 0.30 0.00 -0.65 0.00 0.00 35.03 33.40 1uwd n LYS 70 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1uwd h LYS 71 N 0.00 0.00 -1.90 -1.58 1.79 -1.28 -3.40 116.57 110.20 1uwd h LYS 71 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1uwd h LYS 71 Cb 0.00 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 1uwd h LYS 71 CO 0.00 0.00 0.03 -0.89 -1.08 0.00 0.00 179.45 177.51 1uwd n ILE 72 N -2.28 2.56 -2.44 1.86 5.41 -1.11 -4.86 119.36 118.49 1uwd n ILE 72 Ca 0.05 -1.26 -0.07 0.00 1.00 0.00 0.00 62.75 62.47 1uwd n ILE 72 Cb 0.44 -1.60 -0.02 0.00 -0.71 0.00 0.00 39.64 37.76 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 1.44 -0.97 0.00 0.38 0.28 -1.26 -1.50 120.64 119.01 1uwd n GLU 73 Ca 0.22 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1uwd n GLU 73 Cb 0.63 -0.75 0.00 0.00 1.43 0.00 0.00 31.44 32.75 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 -0.95 0.13 2.78 -1.84 0.00 -1.26 -3.97 105.19 100.09 1uwd n GLY 74 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.30 1.61 3.14 -0.56 -4.71 118.33 117.50 1uwd n VAL 75 Ca 0.00 -0.16 -0.02 0.00 -2.96 0.00 0.00 64.34 61.21 1uwd n VAL 75 Cb 0.00 -0.32 0.02 0.00 -1.06 0.00 0.00 33.84 32.48 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 3.56 -0.53 -3.94 6.55 5.15 -1.19 -4.73 115.26 120.12 1uwd n ASN 76 Ca 0.03 1.33 -0.09 0.00 -0.60 0.00 0.00 54.58 55.25 1uwd n ASN 76 Cb 0.11 -0.29 -0.07 0.00 -0.53 0.00 0.00 39.78 39.00 1uwd n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1uwd s ASN 77 N -5.29 0.03 -0.24 1.20 2.47 -1.25 -5.03 114.94 106.82 1uwd s ASN 77 Ca -0.10 -0.84 -0.04 0.00 0.42 0.00 0.00 52.86 52.29 1uwd s ASN 77 Cb 0.15 0.44 0.08 0.00 -1.45 0.00 0.00 41.25 40.47 1uwd s ASN 77 CO 0.54 -0.89 0.11 -0.69 -3.72 0.00 0.00 177.10 172.44 1uwd s VAL 78 N -3.96 -0.08 -0.68 -5.21 1.01 -1.26 -1.65 120.40 108.58 1uwd s VAL 78 Ca 0.16 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1uwd s VAL 78 Cb 0.03 -0.80 0.30 0.00 0.00 0.00 0.00 36.38 35.91 1uwd s VAL 78 CO -0.01 -0.54 1.01 -0.62 0.00 0.00 0.00 175.10 174.94 1uwd n GLU 79 N 5.26 3.31 -2.60 2.72 1.02 0.31 -5.00 120.64 125.66 1uwd n GLU 79 Ca -0.06 -4.76 -0.43 0.00 -0.02 0.00 0.00 57.16 51.88 1uwd n GLU 79 Cb 0.45 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.56 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uwd s VAL 80 N -3.65 4.20 0.33 2.62 1.01 -1.26 -1.39 120.40 122.25 1uwd s VAL 80 Ca 0.44 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 1uwd s VAL 80 Cb 0.21 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1uwd s VAL 80 CO -0.08 -1.03 0.95 -0.70 0.00 0.00 0.00 175.10 174.25 1uwd s GLU 81 N 4.48 4.54 -0.33 2.72 2.56 -0.31 -4.97 118.70 127.39 1uwd s GLU 81 Ca 0.48 1.33 -0.04 0.00 0.00 0.00 0.00 54.97 56.74 1uwd s GLU 81 Cb -0.07 -2.75 0.05 0.00 2.00 0.00 0.00 34.13 33.36 1uwd s GLU 81 CO 0.32 0.24 0.08 -1.17 -0.56 0.00 0.00 175.26 174.16 1uwd s LEU 82 N -2.14 4.27 -0.52 2.70 2.96 -1.26 -2.47 118.68 122.21 1uwd s LEU 82 Ca 0.51 -1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 1uwd s LEU 82 Cb -0.18 -1.81 0.13 0.00 0.50 0.00 0.00 46.19 44.83 1uwd s LEU 82 CO 0.24 -0.33 0.41 -0.89 -1.32 0.00 0.00 176.35 174.46 1uwd s THR 83 N 1.32 4.46 -0.80 3.68 2.01 0.25 -4.90 115.64 121.67 1uwd s THR 83 Ca -0.02 -1.87 0.13 0.00 0.31 0.00 0.00 61.69 60.25 1uwd s THR 83 Cb -0.20 -3.90 -0.11 0.00 0.01 0.00 0.00 72.50 68.30 1uwd s THR 83 CO 0.01 -0.82 0.62 0.49 -0.69 0.00 0.00 174.62 174.23 1uwd n PHE 84 N 4.81 0.00 0.17 4.92 3.01 -1.26 -4.35 117.46 124.75 1uwd n PHE 84 Ca -0.06 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.26 1uwd n PHE 84 Cb 0.41 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.81 1uwd n PHE 84 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1uwd h ASP 85 N 0.39 -0.74 -3.90 4.37 5.19 -2.00 -3.44 116.42 116.28 1uwd h ASP 85 Ca 0.00 0.07 -0.46 0.00 -0.62 0.00 0.00 57.03 56.02 1uwd h ASP 85 Cb 0.36 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1uwd h ASP 85 CO 0.00 -0.39 0.25 -2.16 -3.12 0.00 0.00 179.24 173.82 1uwd s PRO 86 N -6.06 4.19 0.28 3.56 0.04 -1.26 -5.05 135.00 130.70 1uwd s PRO 86 Ca -0.16 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1uwd s PRO 86 Cb 0.07 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 1uwd s PRO 86 CO 0.64 0.08 1.10 -1.25 0.04 0.00 0.00 177.00 177.62 1uwd s PRO 87 N -2.95 4.63 0.00 0.56 0.04 -1.26 -5.02 135.00 131.01 1uwd s PRO 87 Ca 0.57 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1uwd s PRO 87 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1uwd s PRO 87 CO 0.16 0.21 0.00 1.87 0.04 0.00 0.00 177.00 179.27 1uwd n TRP 88 N 1.17 0.00 0.00 0.56 -0.00 -1.26 -5.10 117.44 112.80 1uwd n TRP 88 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1uwd n TRP 88 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 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 -0.40 5.87 -1.04 -1.26 -5.04 114.28 112.41 1uwd n THR 89 Ca 0.00 0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.34 1uwd n THR 89 Cb 0.00 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 1uwd n THR 89 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1uwd h PRO 90 N 0.00 0.17 0.00 -2.82 0.11 -1.98 -2.18 132.00 125.29 1uwd h PRO 90 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1uwd h PRO 90 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1uwd h PRO 90 CO 0.00 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.29 1uwd n GLU 91 N -4.51 0.57 0.09 1.05 -0.58 -1.26 -2.55 120.64 113.45 1uwd n GLU 91 Ca 0.31 0.03 0.05 0.00 -0.42 0.00 0.00 57.16 57.13 1uwd n GLU 91 Cb 1.24 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 31.10 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uwd h ARG 92 N 0.00 0.36 -7.23 3.49 2.47 -1.64 -3.45 114.38 108.38 1uwd h ARG 92 Ca 0.00 -0.02 -0.47 0.00 -1.26 0.00 0.00 59.98 58.22 1uwd h ARG 92 Cb 0.07 -0.08 0.19 0.00 -1.65 0.00 0.00 29.97 28.50 1uwd h ARG 92 CO 0.00 0.25 0.13 -1.64 0.56 0.00 0.00 179.97 179.27 1uwd s MET 93 N -5.32 0.13 0.69 0.04 -1.94 -1.06 -4.66 119.30 107.18 1uwd s MET 93 Ca -0.07 1.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.79 1uwd s MET 93 Cb 0.17 -1.66 0.01 0.00 2.01 0.00 0.00 34.83 35.37 1uwd s MET 93 CO 0.71 -3.08 1.27 -1.12 -0.01 0.00 0.00 175.02 172.80 1uwd s SER 94 N -2.76 4.31 0.55 3.03 0.01 -1.26 -4.90 113.70 112.68 1uwd s SER 94 Ca 0.67 2.57 0.31 0.00 1.31 0.00 0.00 55.95 60.81 1uwd s SER 94 Cb -0.23 -2.61 1.62 0.00 0.21 0.00 0.00 66.02 65.01 1uwd s SER 94 CO 0.61 -2.20 2.12 1.55 0.41 0.00 0.00 173.24 175.73 1uwd h PRO 95 N 0.15 0.00 -0.32 12.44 0.13 -1.94 -1.71 132.00 140.75 1uwd h PRO 95 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1uwd h PRO 95 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1uwd h PRO 95 CO 0.51 0.08 -0.20 1.05 -0.23 0.00 0.00 178.00 179.21 1uwd h GLU 96 N 0.00 0.59 -0.46 0.86 4.11 -2.01 -3.13 114.58 114.54 1uwd h GLU 96 Ca -0.00 -0.21 -0.11 0.00 0.07 0.00 0.00 59.36 59.11 1uwd h GLU 96 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1uwd h GLU 96 CO 0.01 0.76 -0.13 -0.07 0.07 0.00 0.00 179.01 179.64 1uwd h LEU 97 N 0.53 0.86 -1.53 3.06 4.07 -1.66 0.85 115.31 121.48 1uwd h LEU 97 Ca 0.08 -0.28 0.04 0.00 0.08 0.00 0.00 57.88 57.80 1uwd h LEU 97 Cb 0.64 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1uwd h LEU 97 CO 0.05 1.00 0.37 0.03 -1.08 0.00 0.00 178.44 178.80 1uwd h ARG 98 N 0.77 0.59 0.03 1.13 3.08 -1.59 0.12 114.38 118.50 1uwd h ARG 98 Ca 0.12 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 1uwd h ARG 98 Cb 0.65 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1uwd h ARG 98 CO 0.05 0.39 -1.13 0.93 -1.07 0.00 0.00 179.97 179.13 1uwd h GLU 99 N 0.61 0.06 0.04 0.04 5.08 -1.61 -0.45 114.58 118.34 1uwd h GLU 99 Ca 0.23 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1uwd h GLU 99 Cb 0.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uwd h GLU 99 CO -0.06 1.05 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.75 1uwd h LYS 100 N -0.82 -0.06 0.00 2.33 3.64 -0.33 -2.92 116.57 118.41 1uwd h LYS 100 Ca -0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1uwd h LYS 100 Cb 1.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1uwd h LYS 100 CO -0.12 0.02 -0.09 0.74 -2.27 0.00 0.00 179.45 177.73 1uwd h PHE 101 N -0.11 0.09 -0.04 1.91 -1.00 -1.01 -3.50 116.94 113.28 1uwd h PHE 101 Ca -0.01 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1uwd h PHE 101 Cb 0.10 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1uwd h PHE 101 CO -0.06 0.85 0.00 0.41 -1.61 0.00 0.00 178.31 177.90 1uwd n GLY 102 N 1.06 0.81 0.00 -1.45 0.00 -1.10 -5.07 105.19 99.44 1uwd n GLY 102 Ca -0.10 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70