#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwd s SER 3 N 0.00 0.18 0.15 7.83 0.15 -1.26 -5.19 113.70 115.56 1uwd s SER 3 Ca 0.00 -1.10 -0.21 0.00 0.70 0.00 0.00 55.95 55.35 1uwd s SER 3 Cb 0.00 0.71 0.06 0.00 -1.71 0.00 0.00 66.02 65.08 1uwd s SER 3 CO 0.00 -1.38 0.54 -0.54 1.20 0.00 0.00 173.24 173.05 1uwd s LYS 4 N -3.22 1.22 -0.07 5.44 1.02 -1.26 -4.79 119.74 118.08 1uwd s LYS 4 Ca 0.21 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 1uwd s LYS 4 Cb -0.03 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1uwd s LYS 4 CO 0.12 -0.52 0.02 1.17 -0.92 0.00 0.00 175.35 175.23 1uwd n LYS 5 N -0.33 -1.49 -2.69 1.68 4.81 -1.26 -4.97 118.16 113.91 1uwd n LYS 5 Ca -0.16 1.49 -0.38 0.00 -0.87 0.00 0.00 58.31 58.39 1uwd n LYS 5 Cb 0.64 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 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 -0.86 4.01 0.34 3.15 1.01 -1.26 -5.05 120.40 121.73 1uwd s VAL 6 Ca -0.03 1.73 0.09 0.00 0.00 0.00 0.00 61.98 63.78 1uwd s VAL 6 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1uwd s VAL 6 CO 0.22 0.20 -0.04 0.42 0.00 0.00 0.00 175.10 175.89 1uwd s THR 7 N -1.50 2.48 0.48 3.92 -4.23 -1.26 -4.80 115.64 110.73 1uwd s THR 7 Ca 0.49 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 59.05 1uwd s THR 7 Cb -0.22 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.16 1uwd s THR 7 CO 0.28 -0.21 2.10 0.07 -0.54 0.00 0.00 174.62 176.32 1uwd h LYS 8 N 1.92 0.17 -0.44 3.99 2.10 -1.96 -0.76 116.57 121.59 1uwd h LYS 8 Ca -0.42 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.12 1uwd h LYS 8 Cb 1.25 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1uwd h LYS 8 CO 0.68 0.13 -0.09 1.49 -2.00 0.00 0.00 179.45 179.66 1uwd h GLU 9 N 0.17 0.84 -0.26 0.07 4.81 -1.99 -1.76 114.58 116.46 1uwd h GLU 9 Ca 0.05 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1uwd h GLU 9 Cb 0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1uwd h GLU 9 CO -0.01 0.94 -0.47 -0.44 -0.73 0.00 0.00 179.01 178.30 1uwd h ASP 10 N 0.67 0.74 -0.85 1.04 3.45 -1.68 -0.84 116.42 118.95 1uwd h ASP 10 Ca 0.11 -0.36 0.04 0.00 0.43 0.00 0.00 57.03 57.25 1uwd h ASP 10 Cb 0.62 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 39.13 1uwd h ASP 10 CO 0.04 1.09 0.54 0.58 -1.57 0.00 0.00 179.24 179.93 1uwd h VAL 11 N 0.54 1.11 -0.11 -1.35 2.07 -1.13 -0.52 116.25 116.87 1uwd h VAL 11 Ca 0.03 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1uwd h VAL 11 Cb 1.02 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1uwd h VAL 11 CO 0.10 0.19 -0.06 -0.07 0.02 0.00 0.00 177.57 177.75 1uwd h LEU 12 N 1.04 0.24 -2.31 2.57 3.38 -0.74 -0.41 115.31 119.08 1uwd h LEU 12 Ca 0.35 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1uwd h LEU 12 Cb 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1uwd h LEU 12 CO -0.13 0.61 -0.04 0.78 0.09 0.00 0.00 178.44 179.75 1uwd h ASN 13 N -0.13 0.00 0.05 -0.43 2.35 -0.99 -1.54 115.58 114.89 1uwd h ASN 13 Ca 0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1uwd h ASN 13 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1uwd h ASN 13 CO 0.02 0.04 -0.66 0.00 -1.65 0.00 0.00 177.43 175.17 1uwd h ALA 14 N 1.96 0.07 0.00 -0.83 0.00 -0.79 -3.36 119.26 116.32 1uwd h ALA 14 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1uwd h ALA 14 Cb 0.20 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uwd h ALA 14 CO 0.00 0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 179.50 1uwd h LEU 15 N -0.76 0.00 -0.05 0.00 3.38 -0.68 -2.55 115.31 114.66 1uwd h LEU 15 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1uwd h LEU 15 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1uwd h LEU 15 CO -0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1uwd n LYS 16 N -4.13 0.00 0.00 1.13 5.02 -0.61 -1.09 118.16 118.48 1uwd n LYS 16 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1uwd n LYS 16 Cb 0.13 -0.99 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 0.09 -0.52 0.00 0.00 177.40 176.97 1uwd n ASN 17 N -0.26 0.66 -4.23 4.39 3.02 -0.96 -4.99 115.26 112.90 1uwd n ASN 17 Ca 0.00 -1.19 -0.38 0.00 -0.03 0.00 0.00 54.58 52.98 1uwd n ASN 17 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.19 3.75 0.09 2.41 1.01 -0.25 -5.08 120.40 122.13 1uwd s VAL 18 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1uwd s VAL 18 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1uwd s VAL 18 CO 0.00 -0.39 0.97 -0.63 0.00 0.00 0.00 175.10 175.05 1uwd s ILE 19 N 1.34 4.56 -0.26 2.22 -1.09 -1.26 -2.43 121.20 124.29 1uwd s ILE 19 Ca 0.02 2.05 -0.26 0.00 -2.23 0.00 0.00 60.65 60.22 1uwd s ILE 19 Cb -0.21 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1uwd s ILE 19 CO 0.01 0.28 0.91 -0.62 -1.23 0.00 0.00 174.94 174.29 1uwd s ASP 20 N 0.24 6.90 0.53 3.58 3.68 0.10 -4.93 116.67 126.77 1uwd s ASP 20 Ca 0.48 1.08 0.22 0.00 2.13 0.00 0.00 52.55 56.47 1uwd s ASP 20 Cb -0.23 -2.48 1.45 0.00 -1.45 0.00 0.00 42.92 40.22 1uwd s ASP 20 CO 0.30 -0.62 2.16 -0.26 0.13 0.00 0.00 175.17 176.87 1uwd h PHE 21 N 7.73 0.00 -0.09 -5.34 -1.00 -1.96 0.23 116.94 116.52 1uwd h PHE 21 Ca -0.22 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.51 1uwd h PHE 21 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1uwd h PHE 21 CO 0.77 0.04 -0.21 1.49 -1.61 0.00 0.00 178.31 178.79 1uwd h GLU 22 N 0.00 0.14 0.00 1.51 4.22 -1.94 -3.10 114.58 115.41 1uwd h GLU 22 Ca -0.00 -0.04 -0.24 0.00 0.08 0.00 0.00 59.36 59.17 1uwd h GLU 22 Cb 0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1uwd h GLU 22 CO 0.01 0.35 -1.89 1.28 -2.18 0.00 0.00 179.01 176.58 1uwd n LEU 23 N -4.23 0.25 -2.06 1.64 7.99 -1.18 -5.03 117.00 114.39 1uwd n LEU 23 Ca -0.01 -0.01 -0.11 0.00 -0.01 0.00 0.00 56.01 55.87 1uwd n LEU 23 Cb 0.31 0.24 0.04 0.00 -0.11 0.00 0.00 43.42 43.90 1uwd n LEU 23 CO 0.38 0.36 0.10 0.61 -1.51 0.00 0.00 177.39 177.33 1uwd n GLY 24 N 2.25 0.17 3.23 -0.72 0.00 0.81 -5.08 105.19 105.85 1uwd n GLY 24 Ca -0.22 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1uwd n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uwd s LEU 25 N -4.10 1.96 0.40 0.99 1.98 -1.14 -4.95 118.68 113.82 1uwd s LEU 25 Ca 0.20 -1.21 -0.21 0.00 -2.89 0.00 0.00 54.13 50.02 1uwd s LEU 25 Cb -0.09 0.04 -0.11 0.00 0.66 0.00 0.00 46.19 46.69 1uwd s LEU 25 CO 0.36 -0.63 0.93 1.51 -1.89 0.00 0.00 176.35 176.62 1uwd s ASP 26 N -3.16 6.99 0.30 3.68 1.47 -1.26 -0.72 116.67 123.97 1uwd s ASP 26 Ca 0.26 1.67 0.02 0.00 1.18 0.00 0.00 52.55 55.68 1uwd s ASP 26 Cb 0.07 -2.53 0.57 0.00 -0.34 0.00 0.00 42.92 40.69 1uwd s ASP 26 CO 0.05 -0.29 1.88 -0.37 0.68 0.00 0.00 175.17 177.11 1uwd h VAL 27 N 2.04 0.98 -0.66 2.11 -1.51 -1.72 0.50 116.25 117.99 1uwd h VAL 27 Ca -0.49 -0.34 -0.06 0.00 -1.23 0.00 0.00 66.70 64.59 1uwd h VAL 27 Cb 1.18 -0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.23 1uwd h VAL 27 CO 0.62 0.18 0.20 0.58 -1.23 0.00 0.00 177.57 177.92 1uwd h VAL 28 N 0.98 1.25 -0.63 7.19 2.07 -1.87 -0.49 116.25 124.75 1uwd h VAL 28 Ca 0.44 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1uwd h VAL 28 Cb 0.37 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1uwd h VAL 28 CO -0.20 0.34 0.33 0.28 0.02 0.00 0.00 177.57 178.34 1uwd h SER 29 N 0.97 0.80 0.39 0.57 0.02 -1.53 -1.15 113.55 113.61 1uwd h SER 29 Ca 0.21 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1uwd h SER 29 Cb 0.31 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1uwd h SER 29 CO -0.01 0.68 0.00 0.18 -1.14 0.00 0.00 176.83 176.54 1uwd n LEU 30 N -4.53 0.27 -1.04 5.07 4.77 0.02 -3.94 117.00 117.61 1uwd n LEU 30 Ca 0.04 0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1uwd n LEU 30 Cb 0.10 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1uwd n LEU 30 CO 0.37 -0.49 -0.12 0.61 -1.33 0.00 0.00 177.39 176.43 1uwd n GLY 31 N -0.49 0.65 0.20 -0.72 0.00 -0.23 -4.34 105.19 100.25 1uwd n GLY 31 Ca 0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 0.53 -9.79 0.99 3.38 -1.77 -3.44 115.31 105.20 1uwd h LEU 32 Ca -0.24 -0.30 -0.56 0.00 0.09 0.00 0.00 57.88 56.86 1uwd h LEU 32 Cb 0.94 -0.15 0.11 0.00 0.09 0.00 0.00 40.66 41.65 1uwd h LEU 32 CO 0.32 1.01 0.54 0.52 0.09 0.00 0.00 178.44 180.92 1uwd n VAL 33 N -3.92 2.11 -0.00 1.22 0.31 -1.26 -3.71 118.33 113.08 1uwd n VAL 33 Ca -0.03 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1uwd n VAL 33 Cb 0.63 -1.63 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.24 0.00 -4.38 3.52 4.01 0.28 -4.98 117.16 115.85 1uwd n TYR 34 Ca 0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 1uwd n TYR 34 Cb 0.37 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 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 -4.40 3.90 -0.05 7.72 2.15 -1.08 -4.97 116.67 119.94 1uwd s ASP 35 Ca -0.00 -0.52 -0.00 0.00 0.43 0.00 0.00 52.55 52.46 1uwd s ASP 35 Cb 0.00 -0.58 0.03 0.00 -0.30 0.00 0.00 42.92 42.07 1uwd s ASP 35 CO 0.00 0.20 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.56 1uwd s ILE 36 N -1.09 0.33 0.00 4.11 1.01 -1.26 -1.47 121.20 122.83 1uwd s ILE 36 Ca 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1uwd s ILE 36 Cb -0.11 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 1uwd s ILE 36 CO 0.09 0.21 0.00 0.00 0.00 0.00 0.00 174.94 175.24 1uwd s GLN 37 N 1.35 0.05 -0.17 2.79 -2.07 -0.30 -4.90 119.66 116.41 1uwd s GLN 37 Ca -0.05 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 1uwd s GLN 37 Cb -0.13 0.02 0.03 0.00 -1.09 0.00 0.00 33.01 31.84 1uwd s GLN 37 CO -0.02 -0.01 -0.11 0.42 -1.32 0.00 0.00 175.29 174.25 1uwd s ILE 38 N -0.21 1.52 1.02 3.63 1.09 -1.26 -0.67 121.20 126.32 1uwd s ILE 38 Ca -0.02 -0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 58.62 1uwd s ILE 38 Cb -0.01 -1.54 0.20 0.00 -1.06 0.00 0.00 42.46 40.04 1uwd s ILE 38 CO -0.00 0.28 1.08 -0.62 -0.10 0.00 0.00 174.94 175.58 1uwd s ASP 39 N 1.47 2.27 0.29 3.58 3.68 -1.06 -4.86 116.67 122.06 1uwd s ASP 39 Ca 0.02 1.56 0.20 0.00 2.13 0.00 0.00 52.55 56.45 1uwd s ASP 39 Cb -0.15 -2.23 1.07 0.00 -1.45 0.00 0.00 42.92 40.16 1uwd s ASP 39 CO -0.09 -3.40 1.60 0.47 0.13 0.00 0.00 175.17 173.88 1uwd n ASP 40 N -4.39 0.51 -1.80 -0.34 9.92 -1.26 -1.20 116.55 117.99 1uwd n ASP 40 Ca 0.06 0.74 -0.11 0.00 -0.53 0.00 0.00 54.79 54.95 1uwd n ASP 40 Cb 0.55 -0.80 0.23 0.00 -0.64 0.00 0.00 41.12 40.45 1uwd n ASP 40 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uwd n GLN 41 N -2.19 2.66 -3.07 -1.24 1.13 -1.26 -4.93 117.38 108.48 1uwd n GLN 41 Ca -0.01 -3.07 -0.19 0.00 -1.94 0.00 0.00 57.00 51.79 1uwd n GLN 41 Cb 0.03 -2.08 -0.00 0.00 0.11 0.00 0.00 30.24 28.30 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 -0.79 -3.58 -4.55 1.08 4.13 -0.34 -4.46 115.26 106.75 1uwd n ASN 42 Ca 0.45 -0.18 -0.40 0.00 1.68 0.00 0.00 54.58 56.13 1uwd n ASN 42 Cb 1.38 -3.00 -0.03 0.00 -1.54 0.00 0.00 39.78 36.59 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 -2.50 5.79 -0.04 6.41 0.02 -1.25 -1.92 114.94 121.46 1uwd s ASN 43 Ca 0.27 -0.18 -0.30 0.00 -1.02 0.00 0.00 52.86 51.64 1uwd s ASN 43 Cb -0.14 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.53 1uwd s ASN 43 CO 0.33 -2.06 1.56 -0.69 0.02 0.00 0.00 177.10 176.25 1uwd s VAL 44 N 7.14 3.63 -0.17 1.60 1.01 -0.15 -2.55 120.40 130.91 1uwd s VAL 44 Ca 0.49 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1uwd s VAL 44 Cb -0.10 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1uwd s VAL 44 CO 0.16 -0.05 -0.08 -0.75 0.00 0.00 0.00 175.10 174.37 1uwd s LYS 45 N 3.50 1.76 -0.11 2.72 2.20 0.15 -0.96 119.74 129.00 1uwd s LYS 45 Ca 0.69 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1uwd s LYS 45 Cb -0.32 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.88 1uwd s LYS 45 CO 0.27 -0.40 -0.07 0.08 -0.36 0.00 0.00 175.35 174.87 1uwd s VAL 46 N 1.53 0.97 -0.38 4.02 1.01 -0.68 -1.15 120.40 125.74 1uwd s VAL 46 Ca 0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1uwd s VAL 46 Cb -0.15 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1uwd s VAL 46 CO -0.08 0.36 1.13 -0.76 0.00 0.00 0.00 175.10 175.74 1uwd s LEU 47 N 1.64 3.81 0.00 3.92 1.02 -0.54 -1.31 118.68 127.22 1uwd s LEU 47 Ca 0.03 0.86 0.00 0.00 0.02 0.00 0.00 54.13 55.04 1uwd s LEU 47 Cb -0.13 -3.55 -0.00 0.00 0.02 0.00 0.00 46.19 42.54 1uwd s LEU 47 CO -0.07 -1.04 0.02 0.80 0.02 0.00 0.00 176.35 176.07 1uwd n MET 48 N 7.28 1.33 -3.79 1.70 1.56 -0.15 -0.56 117.12 124.49 1uwd n MET 48 Ca 0.12 -1.07 -0.09 0.00 -0.27 0.00 0.00 57.70 56.40 1uwd n MET 48 Cb 0.48 0.40 -0.03 0.00 2.15 0.00 0.00 33.22 36.21 1uwd n MET 48 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1uwd s THR 49 N -1.72 0.01 0.58 1.12 -1.32 -1.24 -0.68 115.64 112.38 1uwd s THR 49 Ca 0.02 -0.89 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 1uwd s THR 49 Cb 0.00 -1.78 0.05 0.00 -1.51 0.00 0.00 72.50 69.26 1uwd s THR 49 CO 0.02 -0.04 0.80 -0.04 -2.21 0.00 0.00 174.62 173.15 1uwd s MET 50 N -3.90 2.39 0.20 7.08 -1.94 -1.26 -4.83 119.30 117.04 1uwd s MET 50 Ca 0.11 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 1uwd s MET 50 Cb -0.03 -2.48 0.13 0.00 2.01 0.00 0.00 34.83 34.46 1uwd s MET 50 CO 0.02 -0.83 1.84 1.15 -0.01 0.00 0.00 175.02 177.18 1uwd h THR 51 N -0.00 1.21 -3.16 2.05 2.02 -1.99 -3.46 112.91 109.57 1uwd h THR 51 Ca -0.40 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1uwd h THR 51 Cb 1.29 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.80 1uwd h THR 51 CO 0.49 0.22 0.01 0.28 0.37 0.00 0.00 175.52 176.89 1uwd s THR 52 N -5.96 0.04 -1.02 3.16 -1.32 -1.26 -4.80 115.64 104.48 1uwd s THR 52 Ca -0.13 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1uwd s THR 52 Cb 0.14 -1.08 0.09 0.00 -1.51 0.00 0.00 72.50 70.15 1uwd s THR 52 CO 0.79 -0.20 1.33 -0.81 -2.21 0.00 0.00 174.62 173.51 1uwd n PRO 53 N -0.10 0.01 -0.02 7.08 -0.04 -1.26 -2.14 135.00 138.53 1uwd n PRO 53 Ca -0.17 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1uwd n PRO 53 Cb 0.63 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.20 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 -1.49 1.29 -1.67 0.54 0.00 -1.26 -4.96 117.12 109.58 1uwd n MET 54 Ca 0.03 -0.44 -0.39 0.00 0.00 0.00 0.00 57.70 56.90 1uwd n MET 54 Cb 0.12 -1.41 0.03 0.00 0.00 0.00 0.00 33.22 31.97 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 1.26 0.46 -1.80 0.00 0.13 -1.92 -3.25 132.00 126.88 1uwd h PRO 56 Ca -0.48 -0.79 -0.48 0.00 -0.87 0.00 0.00 66.00 63.38 1uwd h PRO 56 Cb 1.33 0.29 -0.41 0.00 0.13 0.00 0.00 31.00 32.35 1uwd h PRO 56 CO 0.55 1.38 -1.06 1.47 -0.23 0.00 0.00 178.00 180.12 1uwd n LEU 57 N -3.75 1.97 0.29 1.56 -0.00 -1.26 -4.94 117.00 110.87 1uwd n LEU 57 Ca -0.19 -4.88 0.18 0.00 -0.00 0.00 0.00 56.01 51.12 1uwd n LEU 57 Cb 1.05 0.32 0.98 0.00 -0.00 0.00 0.00 43.42 45.78 1uwd n LEU 57 CO 0.56 2.14 1.15 0.00 -0.00 0.00 0.00 177.39 181.24 1uwd h ALA 58 N 2.96 1.41 -0.51 1.47 0.00 -1.95 -1.35 119.26 121.30 1uwd h ALA 58 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1uwd h ALA 58 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1uwd h ALA 58 CO 0.59 -0.11 0.22 0.78 0.00 0.00 0.00 179.25 180.73 1uwd h GLY 59 N 0.00 0.79 0.92 0.00 0.00 -1.92 0.97 103.07 103.83 1uwd h GLY 59 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1uwd h GLY 59 CO -0.00 0.39 -0.10 -0.33 0.00 0.00 0.00 176.54 176.50 1uwd h MET 60 N 0.67 -0.24 -0.63 4.80 2.07 -1.69 -1.39 114.93 118.53 1uwd h MET 60 Ca 0.17 0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.88 1uwd h MET 60 Cb 0.16 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 29.88 1uwd h MET 60 CO -0.02 -0.16 0.33 0.82 1.07 0.00 0.00 176.91 178.95 1uwd h ILE 61 N -0.25 0.93 -0.32 -1.22 2.04 -1.11 0.17 117.51 117.77 1uwd h ILE 61 Ca -0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1uwd h ILE 61 Cb 0.22 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1uwd h ILE 61 CO -0.00 0.11 0.21 -0.07 0.00 0.00 0.00 178.15 178.39 1uwd h LEU 62 N 0.61 0.36 -0.75 1.44 3.38 -0.72 -0.50 115.31 119.12 1uwd h LEU 62 Ca 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1uwd h LEU 62 Cb 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1uwd h LEU 62 CO -0.20 0.26 0.38 -1.28 0.09 0.00 0.00 178.44 177.69 1uwd h SER 63 N 0.42 0.96 -0.11 -0.43 0.87 -0.17 -1.94 113.55 113.15 1uwd h SER 63 Ca 0.12 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1uwd h SER 63 Cb -0.05 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1uwd h SER 63 CO -0.03 0.80 -0.14 0.44 -0.53 0.00 0.00 176.83 177.38 1uwd h ASP 64 N 1.04 0.31 -0.08 6.23 5.19 -0.47 0.20 116.42 128.84 1uwd h ASP 64 Ca 0.26 -0.51 0.03 0.00 -0.62 0.00 0.00 57.03 56.19 1uwd h ASP 64 Cb 0.08 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1uwd h ASP 64 CO -0.04 0.76 -0.14 0.00 -3.12 0.00 0.00 179.24 176.70 1uwd h ALA 65 N 0.56 -0.10 -0.98 3.45 0.00 -1.06 0.10 119.26 121.23 1uwd h ALA 65 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1uwd h ALA 65 Cb 0.69 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1uwd h ALA 65 CO 0.03 -0.61 0.64 1.49 0.00 0.00 0.00 179.25 180.80 1uwd h GLU 66 N -0.20 1.22 -0.53 0.00 4.81 -1.33 -1.69 114.58 116.86 1uwd h GLU 66 Ca 0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1uwd h GLU 66 Cb 0.31 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1uwd h GLU 66 CO -0.20 0.81 0.29 1.49 -0.73 0.00 0.00 179.01 180.67 1uwd h GLU 67 N 1.26 0.74 -0.39 1.92 4.81 -0.10 0.81 114.58 123.62 1uwd h GLU 67 Ca 0.38 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1uwd h GLU 67 Cb -0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1uwd h GLU 67 CO -0.11 0.58 -0.29 0.00 -0.73 0.00 0.00 179.01 178.46 1uwd h ALA 68 N 1.12 0.75 -0.13 2.92 0.00 -0.62 -3.14 119.26 120.16 1uwd h ALA 68 Ca 0.18 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1uwd h ALA 68 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uwd h ALA 68 CO -0.03 0.66 -0.07 0.82 0.00 0.00 0.00 179.25 180.63 1uwd h ILE 69 N 0.71 1.32 0.00 0.00 2.04 -1.05 -3.19 117.51 117.34 1uwd h ILE 69 Ca 0.08 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1uwd h ILE 69 Cb 0.84 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1uwd h ILE 69 CO 0.07 0.32 0.00 0.07 0.00 0.00 0.00 178.15 178.62 1uwd h LYS 70 N -0.06 0.00 -0.18 2.37 2.10 -0.86 -3.23 116.57 116.71 1uwd h LYS 70 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1uwd h LYS 70 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1uwd h LYS 70 CO 0.02 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.10 1uwd n LYS 71 N -2.34 2.18 -0.38 0.07 5.02 -1.19 -4.50 118.16 117.02 1uwd n LYS 71 Ca 0.02 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 1uwd n LYS 71 Cb 0.24 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1uwd n ILE 72 N 1.04 1.72 -3.75 -0.18 5.41 -1.22 -4.80 119.36 117.58 1uwd n ILE 72 Ca 0.17 -0.38 -0.27 0.00 1.00 0.00 0.00 62.75 63.27 1uwd n ILE 72 Cb 0.52 -1.37 -0.06 0.00 -0.71 0.00 0.00 39.64 38.01 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 1.31 -0.86 0.00 0.38 0.28 -1.26 -4.21 120.64 116.27 1uwd n GLU 73 Ca 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1uwd n GLU 73 Cb 0.48 -3.06 0.00 0.00 1.43 0.00 0.00 31.44 30.29 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uwd n GLY 74 N -1.43 0.03 3.14 -1.84 0.00 -1.26 -4.67 105.19 99.16 1uwd n GLY 74 Ca -0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 0.84 0.04 1.61 0.31 -1.26 -4.75 118.33 114.75 1uwd n VAL 75 Ca 0.00 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 1uwd n VAL 75 Cb 0.00 -1.98 -0.07 0.00 -0.91 0.00 0.00 33.84 30.88 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uwd h ASN 76 N 8.42 -1.31 -2.86 4.52 -1.24 -1.62 -3.44 115.58 118.05 1uwd h ASN 76 Ca 0.28 0.16 -0.50 0.00 0.71 0.00 0.00 56.30 56.95 1uwd h ASN 76 Cb 0.44 0.52 -0.14 0.00 0.73 0.00 0.00 38.32 39.87 1uwd h ASN 76 CO 1.68 -0.45 -0.71 0.21 -1.29 0.00 0.00 177.43 176.87 1uwd s ASN 77 N -4.82 2.88 -0.08 1.15 2.47 -1.23 -5.01 114.94 110.30 1uwd s ASN 77 Ca -0.16 -1.11 -0.03 0.00 0.42 0.00 0.00 52.86 51.98 1uwd s ASN 77 Cb 0.09 -0.19 0.04 0.00 -1.45 0.00 0.00 41.25 39.74 1uwd s ASN 77 CO 0.64 -0.22 0.14 -0.69 -3.72 0.00 0.00 177.10 173.25 1uwd s VAL 78 N -2.90 -0.22 -0.43 -5.21 1.01 -1.26 -0.98 120.40 110.41 1uwd s VAL 78 Ca 0.27 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1uwd s VAL 78 Cb 0.01 -0.28 0.22 0.00 0.00 0.00 0.00 36.38 36.32 1uwd s VAL 78 CO 0.11 0.13 0.47 -0.62 0.00 0.00 0.00 175.10 175.19 1uwd n GLU 79 N 5.32 0.71 -3.43 2.72 -0.58 -0.14 -4.99 120.64 120.25 1uwd n GLU 79 Ca -0.04 -3.37 -0.42 0.00 -0.42 0.00 0.00 57.16 52.91 1uwd n GLU 79 Cb 0.50 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.77 1uwd n GLU 79 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1uwd s VAL 80 N -0.85 5.21 -0.16 2.62 -7.23 -1.26 -1.68 120.40 117.05 1uwd s VAL 80 Ca 0.34 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 59.88 1uwd s VAL 80 Cb 0.11 -3.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1uwd s VAL 80 CO -0.14 -0.25 0.68 -0.70 -0.31 0.00 0.00 175.10 174.39 1uwd s GLU 81 N 1.84 4.28 -0.94 4.82 2.56 -0.43 -4.97 118.70 125.86 1uwd s GLU 81 Ca 0.08 0.75 -0.15 0.00 0.00 0.00 0.00 54.97 55.64 1uwd s GLU 81 Cb -0.18 -3.55 0.18 0.00 2.00 0.00 0.00 34.13 32.59 1uwd s GLU 81 CO 0.11 -0.19 1.02 -1.17 -0.56 0.00 0.00 175.26 174.48 1uwd s LEU 82 N 1.70 5.85 -0.69 2.70 2.96 -1.26 -0.98 118.68 128.96 1uwd s LEU 82 Ca 0.32 -2.56 -0.26 0.00 -0.22 0.00 0.00 54.13 51.41 1uwd s LEU 82 Cb -0.16 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1uwd s LEU 82 CO 0.12 -0.76 1.20 -0.89 -1.32 0.00 0.00 176.35 174.70 1uwd s THR 83 N 1.19 3.91 -0.59 3.68 2.01 0.14 -4.87 115.64 121.11 1uwd s THR 83 Ca 0.28 0.38 0.16 0.00 0.31 0.00 0.00 61.69 62.82 1uwd s THR 83 Cb -0.07 -4.83 -0.19 0.00 0.01 0.00 0.00 72.50 67.42 1uwd s THR 83 CO -0.08 -1.66 0.61 0.49 -0.69 0.00 0.00 174.62 173.29 1uwd n PHE 84 N 8.84 0.00 -0.01 4.92 3.72 -1.26 -4.47 117.46 129.20 1uwd n PHE 84 Ca 0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 1uwd n PHE 84 Cb 0.48 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.54 -4.10 4.37 3.32 -2.00 -3.46 116.42 115.10 1uwd h ASP 85 Ca 0.00 -0.71 -0.50 0.00 0.02 0.00 0.00 57.03 55.83 1uwd h ASP 85 Cb 0.46 -0.16 0.08 0.00 0.22 0.00 0.00 39.33 39.93 1uwd h ASP 85 CO 0.00 1.18 0.43 -2.16 -1.72 0.00 0.00 179.24 176.97 1uwd s PRO 86 N -3.39 3.30 0.08 3.56 0.04 -1.26 -5.00 135.00 132.32 1uwd s PRO 86 Ca -0.13 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1uwd s PRO 86 Cb 0.04 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1uwd s PRO 86 CO 0.82 -0.89 1.22 -1.25 0.04 0.00 0.00 177.00 176.94 1uwd s PRO 87 N -3.35 4.42 0.00 0.56 0.04 -1.26 -5.03 135.00 130.38 1uwd s PRO 87 Ca 0.72 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1uwd s PRO 87 Cb -0.24 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1uwd s PRO 87 CO 0.28 -0.27 0.00 1.87 0.04 0.00 0.00 177.00 178.93 1uwd n TRP 88 N 3.81 0.00 0.00 0.56 -0.00 -1.26 -5.10 117.44 115.45 1uwd n TRP 88 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1uwd n TRP 88 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 1.56 5.87 -1.04 -1.26 -5.03 114.28 114.38 1uwd n THR 89 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1uwd n THR 89 Cb 0.00 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 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 1.24 -0.01 -2.82 -0.04 -1.26 -3.39 135.00 128.71 1uwd n PRO 90 Ca 0.00 -0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.26 1uwd n PRO 90 Cb 0.00 -1.16 0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1uwd n PRO 90 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1uwd n GLU 91 N -0.20 2.03 0.13 0.54 2.13 -1.26 -4.57 120.64 119.44 1uwd n GLU 91 Ca 0.03 -1.82 0.01 0.00 0.66 0.00 0.00 57.16 56.04 1uwd n GLU 91 Cb 0.12 -1.42 0.01 0.00 0.27 0.00 0.00 31.44 30.42 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uwd h ARG 92 N 4.23 0.00 -7.12 5.31 3.08 -1.83 -3.47 114.38 114.58 1uwd h ARG 92 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.62 1uwd h ARG 92 Cb 0.90 0.00 0.22 0.00 0.08 0.00 0.00 29.97 31.17 1uwd h ARG 92 CO 0.00 0.55 -0.03 -1.64 -1.07 0.00 0.00 179.97 177.78 1uwd s MET 93 N -2.93 -1.40 0.52 0.04 -1.94 -1.25 -4.59 119.30 107.75 1uwd s MET 93 Ca 0.03 0.72 -0.21 0.00 -1.71 0.00 0.00 55.69 54.52 1uwd s MET 93 Cb 0.08 -1.51 -0.07 0.00 2.01 0.00 0.00 34.83 35.34 1uwd s MET 93 CO 0.76 -4.01 1.03 0.43 -0.01 0.00 0.00 175.02 173.22 1uwd n SER 94 N -5.10 1.23 0.24 3.03 7.64 -1.25 -4.75 113.62 114.65 1uwd n SER 94 Ca 0.04 0.92 0.09 0.00 1.01 0.00 0.00 58.87 60.92 1uwd n SER 94 Cb 0.55 -1.40 0.59 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.06 0.00 -0.37 1.43 0.13 -1.94 -0.10 132.00 132.20 1uwd h PRO 95 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1uwd h PRO 95 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1uwd h PRO 95 CO 0.54 0.19 -0.13 1.49 -0.23 0.00 0.00 178.00 179.86 1uwd h GLU 96 N 0.00 0.66 -0.10 0.86 4.81 -2.01 -2.62 114.58 116.18 1uwd h GLU 96 Ca -0.00 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 1uwd h GLU 96 Cb 0.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1uwd h GLU 96 CO 0.02 0.77 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.33 1uwd h LEU 97 N 0.60 0.50 -0.39 1.64 3.38 -1.37 -1.49 115.31 118.18 1uwd h LEU 97 Ca 0.10 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1uwd h LEU 97 Cb 0.57 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1uwd h LEU 97 CO 0.04 1.03 0.02 0.03 0.09 0.00 0.00 178.44 179.64 1uwd h ARG 98 N 0.30 0.12 -0.20 1.13 3.08 -1.05 0.15 114.38 117.92 1uwd h ARG 98 Ca -0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1uwd h ARG 98 Cb 1.23 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1uwd h ARG 98 CO 0.12 0.08 -0.17 0.93 -1.07 0.00 0.00 179.97 179.85 1uwd h GLU 99 N 0.13 0.47 -0.15 0.04 4.39 -1.54 0.73 114.58 118.64 1uwd h GLU 99 Ca 0.19 -0.24 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 1uwd h GLU 99 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1uwd h GLU 99 CO -0.30 0.81 -0.44 -0.22 -1.16 0.00 0.00 179.01 177.70 1uwd h LYS 100 N 0.15 0.37 0.05 2.33 3.11 -0.77 -2.94 116.57 118.86 1uwd h LYS 100 Ca 0.03 -0.19 -0.07 0.00 -2.81 0.00 0.00 60.65 57.62 1uwd h LYS 100 Cb 0.71 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1uwd h LYS 100 CO 0.04 0.74 -0.29 0.74 -2.81 0.00 0.00 179.45 177.88 1uwd h PHE 101 N 0.30 0.20 0.00 1.91 -1.00 -0.81 -3.50 116.94 114.05 1uwd h PHE 101 Ca 0.02 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1uwd h PHE 101 Cb 0.90 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.45 1uwd h PHE 101 CO 0.02 1.09 0.00 0.41 -1.61 0.00 0.00 178.31 178.22 1uwd n GLY 102 N 1.56 0.75 0.00 -1.45 0.00 -0.16 -5.09 105.19 100.80 1uwd n GLY 102 Ca -0.11 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.23 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70