#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 -0.26 -0.49 6.12 0.15 -1.26 -5.11 113.70 112.85 1uwd s SER 3 Ca 0.00 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.13 1uwd s SER 3 Cb 0.00 0.71 0.22 0.00 -1.71 0.00 0.00 66.02 65.24 1uwd s SER 3 CO 0.00 -1.31 0.81 1.17 1.20 0.00 0.00 173.24 175.11 1uwd n LYS 4 N -0.46 0.69 -3.58 5.44 4.81 -1.26 -5.10 118.16 118.70 1uwd n LYS 4 Ca -0.04 -1.94 -0.29 0.00 -0.87 0.00 0.00 58.31 55.17 1uwd n LYS 4 Cb 0.59 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 34.03 1uwd n LYS 4 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uwd s LYS 5 N 0.63 0.23 0.80 1.64 2.36 -1.26 -4.87 119.74 119.28 1uwd s LYS 5 Ca 0.32 -0.50 -0.11 0.00 -2.55 0.00 0.00 55.97 53.13 1uwd s LYS 5 Cb 0.15 -1.39 0.07 0.00 -1.05 0.00 0.00 37.83 35.62 1uwd s LYS 5 CO -0.18 -0.94 1.09 0.08 1.55 0.00 0.00 175.35 176.94 1uwd s VAL 6 N 2.05 3.21 0.14 4.02 1.01 -1.26 -5.09 120.40 124.48 1uwd s VAL 6 Ca 0.08 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1uwd s VAL 6 Cb -0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1uwd s VAL 6 CO -0.30 -0.51 0.19 0.42 0.00 0.00 0.00 175.10 174.90 1uwd s THR 7 N -2.96 0.09 0.41 3.92 -4.23 -1.26 -4.95 115.64 106.66 1uwd s THR 7 Ca 0.61 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.67 1uwd s THR 7 Cb -0.17 -1.82 0.22 0.00 1.34 0.00 0.00 72.50 72.07 1uwd s THR 7 CO 0.56 -0.42 2.00 0.07 -0.54 0.00 0.00 174.62 176.28 1uwd h LYS 8 N 2.69 0.37 -0.40 3.99 2.10 -1.95 -2.12 116.57 121.26 1uwd h LYS 8 Ca -0.33 -0.05 0.06 0.00 -2.00 0.00 0.00 60.65 58.33 1uwd h LYS 8 Cb 1.21 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.42 1uwd h LYS 8 CO 0.53 0.35 0.08 0.93 -2.00 0.00 0.00 179.45 179.34 1uwd h GLU 9 N 0.37 0.20 -0.14 0.07 3.07 -1.96 -1.12 114.58 115.06 1uwd h GLU 9 Ca 0.09 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1uwd h GLU 9 Cb 0.14 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1uwd h GLU 9 CO -0.00 0.13 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.19 1uwd h ASP 10 N 0.21 0.34 -0.68 1.42 5.19 -1.81 -2.40 116.42 118.69 1uwd h ASP 10 Ca 0.19 -0.45 0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1uwd h ASP 10 Cb 0.23 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 1uwd h ASP 10 CO -0.25 0.72 0.45 0.58 -3.12 0.00 0.00 179.24 177.61 1uwd h VAL 11 N -0.03 1.04 -0.39 -1.35 2.07 -1.17 0.29 116.25 116.70 1uwd h VAL 11 Ca 0.03 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1uwd h VAL 11 Cb 0.61 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1uwd h VAL 11 CO 0.03 0.13 -0.34 -0.07 0.02 0.00 0.00 177.57 177.34 1uwd h LEU 12 N 0.73 0.97 -0.60 2.57 3.38 -1.03 -1.76 115.31 119.56 1uwd h LEU 12 Ca 0.28 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1uwd h LEU 12 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1uwd h LEU 12 CO -0.09 1.22 -0.00 0.78 0.09 0.00 0.00 178.44 180.44 1uwd h ASN 13 N 0.73 0.00 0.00 -0.43 2.35 -0.66 -2.86 115.58 114.72 1uwd h ASN 13 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1uwd h ASN 13 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1uwd h ASN 13 CO 0.09 0.00 -0.00 0.00 -1.65 0.00 0.00 177.43 175.87 1uwd h ALA 14 N 2.00 -0.01 0.00 -0.83 0.00 -0.31 -3.34 119.26 116.77 1uwd h ALA 14 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1uwd h ALA 14 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1uwd h ALA 14 CO 0.00 -0.02 -0.03 -0.07 0.00 0.00 0.00 179.25 179.14 1uwd h LEU 15 N -0.98 0.00 -1.14 0.00 3.38 -1.37 -2.29 115.31 112.92 1uwd h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uwd h LEU 15 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1uwd h LEU 15 CO 0.00 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.85 1uwd n LYS 16 N -3.21 0.00 0.00 1.13 5.02 -1.08 -1.12 118.16 118.90 1uwd n LYS 16 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1uwd n LYS 16 Cb 0.19 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.56 0.18 -4.31 4.39 3.02 -0.86 -5.00 115.26 113.24 1uwd n ASN 17 Ca 0.00 -0.51 -0.46 0.00 -0.03 0.00 0.00 54.58 53.58 1uwd n ASN 17 Cb 0.00 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.36 5.40 0.02 2.41 1.01 -0.27 -5.03 120.40 123.58 1uwd s VAL 18 Ca 0.00 -2.36 -0.25 0.00 0.00 0.00 0.00 61.98 59.37 1uwd s VAL 18 Cb 0.00 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1uwd s VAL 18 CO 0.00 -0.99 0.79 -0.63 0.00 0.00 0.00 175.10 174.27 1uwd s ILE 19 N 0.37 4.79 -0.36 2.22 1.01 -1.26 -3.02 121.20 124.94 1uwd s ILE 19 Ca 0.15 1.67 -0.26 0.00 0.00 0.00 0.00 60.65 62.21 1uwd s ILE 19 Cb -0.14 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.21 1uwd s ILE 19 CO -0.07 0.32 0.96 -0.62 0.00 0.00 0.00 174.94 175.53 1uwd s ASP 20 N 0.21 6.72 0.54 3.58 -1.08 -0.64 -4.96 116.67 121.04 1uwd s ASP 20 Ca 0.40 0.65 0.32 0.00 -0.52 0.00 0.00 52.55 53.40 1uwd s ASP 20 Cb -0.20 -2.48 1.46 0.00 -1.46 0.00 0.00 42.92 40.23 1uwd s ASP 20 CO 0.23 -0.88 2.03 0.15 0.52 0.00 0.00 175.17 177.23 1uwd h PHE 21 N 8.44 0.00 0.01 -5.34 3.57 -1.95 0.66 116.94 122.33 1uwd h PHE 21 Ca -0.23 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.17 1uwd h PHE 21 Cb 1.07 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.82 1uwd h PHE 21 CO 0.84 0.08 -0.41 1.49 -2.23 0.00 0.00 178.31 178.08 1uwd h GLU 22 N 0.00 0.26 0.11 1.11 4.57 -1.97 -3.39 114.58 115.27 1uwd h GLU 22 Ca -0.00 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1uwd h GLU 22 Cb 0.44 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1uwd h GLU 22 CO 0.01 1.01 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.73 1uwd h LEU 23 N -0.38 -0.12 0.00 1.64 -0.00 -1.95 -3.49 115.31 111.01 1uwd h LEU 23 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1uwd h LEU 23 Cb 1.17 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1uwd h LEU 23 CO 0.08 0.35 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 1uwd n GLY 24 N 1.41 1.42 3.24 0.83 0.00 0.21 -5.08 105.19 107.22 1uwd n GLY 24 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1uwd n GLY 24 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uwd s LEU 25 N 0.00 2.35 0.55 0.99 -0.00 -1.23 -4.91 118.68 116.43 1uwd s LEU 25 Ca 0.00 -1.09 -0.15 0.00 -0.00 0.00 0.00 54.13 52.89 1uwd s LEU 25 Cb 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 46.19 45.93 1uwd s LEU 25 CO 0.00 -0.46 1.00 1.51 -0.00 0.00 0.00 176.35 178.41 1uwd s ASP 26 N -3.17 6.47 0.57 1.48 1.47 -1.26 -1.62 116.67 120.62 1uwd s ASP 26 Ca 0.20 1.52 0.27 0.00 1.18 0.00 0.00 52.55 55.72 1uwd s ASP 26 Cb 0.05 -2.50 1.61 0.00 -0.34 0.00 0.00 42.92 41.73 1uwd s ASP 26 CO 0.02 -0.70 2.12 -0.37 0.68 0.00 0.00 175.17 176.92 1uwd h VAL 27 N 0.49 0.57 0.00 2.11 -1.51 -1.75 0.17 116.25 116.33 1uwd h VAL 27 Ca -0.46 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 64.88 1uwd h VAL 27 Cb 1.19 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 1uwd h VAL 27 CO 0.62 0.00 -0.81 0.58 -1.23 0.00 0.00 177.57 176.72 1uwd h VAL 28 N 0.00 0.78 0.01 7.19 2.07 -1.90 0.18 116.25 124.57 1uwd h VAL 28 Ca 0.08 -2.19 -0.23 0.00 0.82 0.00 0.00 66.70 65.18 1uwd h VAL 28 Cb 0.41 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1uwd h VAL 28 CO -0.00 0.44 -0.96 0.28 0.02 0.00 0.00 177.57 177.35 1uwd h SER 29 N 0.00 0.52 -0.63 0.57 0.02 -1.48 -3.26 113.55 109.28 1uwd h SER 29 Ca -0.05 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 1uwd h SER 29 Cb 1.46 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1uwd h SER 29 CO 0.06 1.23 0.06 0.25 -1.14 0.00 0.00 176.83 177.29 1uwd h LEU 30 N 0.22 1.05 -2.42 5.07 6.46 -0.71 -3.00 115.31 121.98 1uwd h LEU 30 Ca -0.08 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1uwd h LEU 30 Cb 1.60 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1uwd h LEU 30 CO 0.17 1.07 -0.06 0.61 -0.62 0.00 0.00 178.44 179.60 1uwd n GLY 31 N -0.52 0.55 0.06 3.75 0.00 0.54 -2.70 105.19 106.87 1uwd n GLY 31 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 -0.01 -9.22 0.99 3.38 -1.69 -3.47 115.31 105.17 1uwd h LEU 32 Ca -0.05 -0.24 -0.70 0.00 0.09 0.00 0.00 57.88 56.98 1uwd h LEU 32 Cb 1.03 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.83 1uwd h LEU 32 CO 0.04 0.61 0.39 0.55 0.09 0.00 0.00 178.44 180.11 1uwd n VAL 33 N -4.75 0.00 -0.07 1.22 3.14 -1.26 -4.56 118.33 112.05 1uwd n VAL 33 Ca -0.03 -0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.29 1uwd n VAL 33 Cb 0.12 -0.68 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 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 2.37 0.91 -3.99 1.45 4.01 0.13 -5.01 117.16 117.02 1uwd n TYR 34 Ca 0.19 0.39 -0.08 0.00 -0.16 0.00 0.00 57.90 58.24 1uwd n TYR 34 Cb 0.17 -0.80 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 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 -5.86 0.31 -0.31 7.72 3.68 -1.01 -4.99 116.67 116.21 1uwd s ASP 35 Ca -0.17 -0.73 -0.00 0.00 2.13 0.00 0.00 52.55 53.78 1uwd s ASP 35 Cb 0.03 0.21 0.13 0.00 -1.45 0.00 0.00 42.92 41.84 1uwd s ASP 35 CO 0.26 -0.54 0.28 -0.63 0.13 0.00 0.00 175.17 174.68 1uwd s ILE 36 N -3.10 -0.31 -0.33 4.11 1.01 -1.26 -0.87 121.20 120.45 1uwd s ILE 36 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1uwd s ILE 36 Cb 0.02 -0.94 0.09 0.00 0.01 0.00 0.00 42.46 41.63 1uwd s ILE 36 CO -0.07 -0.56 0.03 -1.10 0.00 0.00 0.00 174.94 173.24 1uwd s GLN 37 N 2.09 1.88 -0.32 2.79 -0.21 0.41 -4.75 119.66 121.55 1uwd s GLN 37 Ca 0.11 -1.66 -0.03 0.00 0.02 0.00 0.00 55.36 53.80 1uwd s GLN 37 Cb -0.15 -3.19 0.05 0.00 1.00 0.00 0.00 33.01 30.72 1uwd s GLN 37 CO -0.26 -0.83 0.06 0.42 -2.12 0.00 0.00 175.29 172.55 1uwd s ILE 38 N 1.04 3.29 0.83 1.08 1.01 -1.26 -2.20 121.20 124.99 1uwd s ILE 38 Ca 0.03 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.21 1uwd s ILE 38 Cb -0.20 -2.92 0.12 0.00 0.01 0.00 0.00 42.46 39.47 1uwd s ILE 38 CO -0.06 -0.19 1.17 -0.62 0.00 0.00 0.00 174.94 175.24 1uwd s ASP 39 N 1.37 4.08 0.08 3.58 -1.08 -1.19 -4.93 116.67 118.57 1uwd s ASP 39 Ca -0.03 0.39 0.24 0.00 -0.52 0.00 0.00 52.55 52.64 1uwd s ASP 39 Cb -0.20 -0.75 0.97 0.00 -1.46 0.00 0.00 42.92 41.47 1uwd s ASP 39 CO -0.00 -2.12 1.76 0.47 0.52 0.00 0.00 175.17 175.80 1uwd n ASP 40 N -3.32 0.27 0.00 -0.34 8.00 -1.26 -0.61 116.55 119.29 1uwd n ASP 40 Ca 0.11 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1uwd n ASP 40 Cb 0.60 -0.61 0.68 0.00 -0.02 0.00 0.00 41.12 41.78 1uwd n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uwd n GLN 41 N -1.77 0.65 -2.91 -1.24 1.13 -1.26 -4.90 117.38 107.08 1uwd n GLN 41 Ca 0.05 0.02 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 1uwd n GLN 41 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 -1.07 -4.55 -4.55 1.08 3.02 0.22 -4.45 115.26 104.96 1uwd n ASN 42 Ca 0.16 -0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 1uwd n ASN 42 Cb 0.11 -3.77 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 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 -2.45 5.83 -0.37 6.41 0.01 -1.26 -1.96 114.94 121.16 1uwd s ASN 43 Ca 0.22 -0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 51.54 1uwd s ASN 43 Cb -0.11 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1uwd s ASN 43 CO 0.27 -2.06 1.26 -0.69 -1.51 0.00 0.00 177.10 174.37 1uwd s VAL 44 N 7.20 4.14 -0.11 1.60 1.01 -0.69 -3.18 120.40 130.38 1uwd s VAL 44 Ca 0.52 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 1uwd s VAL 44 Cb -0.07 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1uwd s VAL 44 CO 0.07 -0.67 -0.04 -0.75 0.00 0.00 0.00 175.10 173.71 1uwd s LYS 45 N 4.36 3.20 -0.05 2.72 2.20 -0.93 -0.70 119.74 130.54 1uwd s LYS 45 Ca 0.54 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 1uwd s LYS 45 Cb -0.13 -2.77 0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1uwd s LYS 45 CO 0.26 0.49 0.06 0.08 -0.36 0.00 0.00 175.35 175.88 1uwd s VAL 46 N -0.31 -0.11 -0.84 4.02 1.01 -0.50 -0.44 120.40 123.22 1uwd s VAL 46 Ca 0.05 0.40 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1uwd s VAL 46 Cb -0.12 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1uwd s VAL 46 CO 0.02 0.16 1.34 -0.76 0.00 0.00 0.00 175.10 175.86 1uwd s LEU 47 N 2.17 3.31 0.00 3.92 1.02 -0.05 -0.91 118.68 128.14 1uwd s LEU 47 Ca 0.05 -0.83 0.07 0.00 0.02 0.00 0.00 54.13 53.44 1uwd s LEU 47 Cb -0.12 -2.56 0.07 0.00 0.02 0.00 0.00 46.19 43.60 1uwd s LEU 47 CO -0.03 -1.71 0.60 0.80 0.02 0.00 0.00 176.35 176.03 1uwd n MET 48 N 9.16 0.67 -2.66 1.70 0.00 -0.22 -0.70 117.12 125.07 1uwd n MET 48 Ca 0.14 -3.08 -0.05 0.00 -0.00 0.00 0.00 57.70 54.71 1uwd n MET 48 Cb 0.50 0.02 0.02 0.00 0.00 0.00 0.00 33.22 33.75 1uwd n MET 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1uwd n THR 49 N -1.99 0.00 -4.22 1.12 5.66 -1.26 -0.73 114.28 112.86 1uwd n THR 49 Ca 0.08 -0.59 -0.13 0.00 -3.05 0.00 0.00 64.05 60.35 1uwd n THR 49 Cb 0.58 0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 69.85 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 -2.05 0.97 0.10 1.09 -1.94 -1.26 -4.90 119.30 111.31 1uwd s MET 50 Ca 0.09 -1.37 -0.25 0.00 -1.71 0.00 0.00 55.69 52.45 1uwd s MET 50 Cb -0.03 -0.51 -0.11 0.00 2.01 0.00 0.00 34.83 36.19 1uwd s MET 50 CO 0.07 0.05 1.68 1.15 -0.01 0.00 0.00 175.02 177.97 1uwd h THR 51 N 2.97 0.68 -3.83 2.05 2.02 -2.00 -3.46 112.91 111.33 1uwd h THR 51 Ca -0.36 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 1uwd h THR 51 Cb 1.18 0.68 -0.19 0.00 -1.74 0.00 0.00 68.15 68.08 1uwd h THR 51 CO 0.62 0.00 -0.59 0.42 0.37 0.00 0.00 175.52 176.34 1uwd s THR 52 N -6.13 0.12 -1.26 3.16 -4.23 -1.26 -4.90 115.64 101.14 1uwd s THR 52 Ca -0.15 -1.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.56 1uwd s THR 52 Cb 0.07 -0.62 0.26 0.00 1.34 0.00 0.00 72.50 73.55 1uwd s THR 52 CO 0.66 -0.55 1.59 -0.81 -0.54 0.00 0.00 174.62 174.96 1uwd n PRO 53 N 1.16 0.16 -0.77 3.99 -0.04 -1.26 -3.13 135.00 135.11 1uwd n PRO 53 Ca -0.21 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1uwd n PRO 53 Cb 0.57 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.37 4.33 -1.63 0.54 0.00 -1.26 -4.96 117.12 112.77 1uwd n MET 54 Ca 0.07 -2.81 -0.38 0.00 0.00 0.00 0.00 57.70 54.57 1uwd n MET 54 Cb 0.18 -2.13 0.04 0.00 0.00 0.00 0.00 33.22 31.31 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 0.80 -0.34 -2.15 0.00 0.13 -1.95 -3.27 132.00 125.22 1uwd h PRO 56 Ca -0.48 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1uwd h PRO 56 Cb 1.35 0.08 -0.41 0.00 0.13 0.00 0.00 31.00 32.15 1uwd h PRO 56 CO 0.53 0.00 -0.53 1.47 -0.23 0.00 0.00 178.00 179.24 1uwd n LEU 57 N -5.03 4.76 -0.17 1.56 -0.00 -1.26 -4.90 117.00 111.96 1uwd n LEU 57 Ca -0.08 -5.58 -0.02 0.00 -0.00 0.00 0.00 56.01 50.33 1uwd n LEU 57 Cb 0.26 -0.59 0.07 0.00 -0.00 0.00 0.00 43.42 43.16 1uwd n LEU 57 CO 0.25 2.31 0.94 0.00 -0.00 0.00 0.00 177.39 180.88 1uwd h ALA 58 N 2.99 0.61 -1.00 1.47 0.00 -1.95 -1.48 119.26 119.90 1uwd h ALA 58 Ca 0.19 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.37 1uwd h ALA 58 Cb 0.55 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1uwd h ALA 58 CO 0.86 -0.27 0.62 0.78 0.00 0.00 0.00 179.25 181.24 1uwd h GLY 59 N 0.29 1.70 0.87 0.00 0.00 -1.91 0.13 103.07 104.16 1uwd h GLY 59 Ca 0.26 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1uwd h GLY 59 CO -0.30 -0.03 -0.16 1.98 0.00 0.00 0.00 176.54 178.03 1uwd h MET 60 N 0.77 0.55 -0.46 4.80 -1.53 -1.70 -0.88 114.93 116.48 1uwd h MET 60 Ca 0.56 -0.26 -0.10 0.00 -3.44 0.00 0.00 59.70 56.46 1uwd h MET 60 Cb 0.87 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.90 1uwd h MET 60 CO -0.35 0.83 -0.12 0.82 0.14 0.00 0.00 176.91 178.23 1uwd h ILE 61 N 0.27 1.27 -0.37 1.77 2.04 -1.01 -1.53 117.51 119.95 1uwd h ILE 61 Ca 0.05 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 1uwd h ILE 61 Cb 0.69 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1uwd h ILE 61 CO 0.04 0.43 -0.09 -0.07 0.00 0.00 0.00 178.15 178.46 1uwd h LEU 62 N 0.73 0.61 -0.02 1.44 3.38 -0.72 -0.16 115.31 120.57 1uwd h LEU 62 Ca 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1uwd h LEU 62 Cb 0.66 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1uwd h LEU 62 CO 0.05 0.74 0.01 0.28 0.09 0.00 0.00 178.44 179.61 1uwd h SER 63 N 0.58 0.02 -0.42 -0.43 0.02 -1.02 -2.85 113.55 109.45 1uwd h SER 63 Ca 0.11 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1uwd h SER 63 Cb 0.50 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1uwd h SER 63 CO 0.03 0.06 0.05 -0.78 -1.14 0.00 0.00 176.83 175.06 1uwd h ASP 64 N -0.02 0.75 -0.42 3.07 3.58 -0.44 0.64 116.42 123.58 1uwd h ASP 64 Ca 0.01 -0.16 0.06 0.00 0.42 0.00 0.00 57.03 57.36 1uwd h ASP 64 Cb 0.05 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 1uwd h ASP 64 CO -0.00 0.78 0.12 0.00 -2.88 0.00 0.00 179.24 177.26 1uwd h ALA 65 N 1.31 0.48 -0.46 -0.78 0.00 -1.09 -1.63 119.26 117.09 1uwd h ALA 65 Ca 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1uwd h ALA 65 Cb 0.38 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1uwd h ALA 65 CO 0.01 -0.27 -0.00 1.49 0.00 0.00 0.00 179.25 180.48 1uwd h GLU 66 N 0.28 0.75 0.00 0.00 4.81 -1.02 -3.12 114.58 116.28 1uwd h GLU 66 Ca 0.20 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1uwd h GLU 66 Cb 0.21 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1uwd h GLU 66 CO -0.22 0.77 -0.03 0.93 -0.73 0.00 0.00 179.01 179.73 1uwd h GLU 67 N 0.70 0.00 -0.10 1.92 4.39 -0.02 -1.64 114.58 119.84 1uwd h GLU 67 Ca 0.14 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1uwd h GLU 67 Cb 0.44 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1uwd h GLU 67 CO 0.02 0.03 -0.43 0.00 -1.16 0.00 0.00 179.01 177.47 1uwd h ALA 68 N 1.97 0.18 -0.39 3.43 0.00 -1.30 -3.32 119.26 119.83 1uwd h ALA 68 Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1uwd h ALA 68 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uwd h ALA 68 CO 0.00 0.31 -0.17 0.82 0.00 0.00 0.00 179.25 180.22 1uwd h ILE 69 N 0.04 1.28 0.00 0.00 1.08 -1.33 -2.46 117.51 116.12 1uwd h ILE 69 Ca -0.03 -1.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1uwd h ILE 69 Cb 1.07 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1uwd h ILE 69 CO 0.09 0.43 0.00 2.29 -0.69 0.00 0.00 178.15 180.27 1uwd n LYS 70 N -4.27 0.16 -0.02 2.37 2.85 -0.82 -1.79 118.16 116.64 1uwd n LYS 70 Ca -0.02 0.18 0.13 0.00 -1.05 0.00 0.00 58.31 57.55 1uwd n LYS 70 Cb 0.41 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 33.66 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 -1.31 1.91 -0.25 -1.58 2.85 -0.92 -4.22 118.16 114.64 1uwd n LYS 71 Ca 0.06 -1.33 0.01 0.00 -1.05 0.00 0.00 58.31 56.00 1uwd n LYS 71 Cb 0.10 -1.47 0.11 0.00 -0.65 0.00 0.00 35.03 33.12 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 0.60 0.79 -4.43 0.58 5.41 -0.74 -4.92 119.36 116.65 1uwd n ILE 72 Ca 0.17 -0.38 -0.37 0.00 1.00 0.00 0.00 62.75 63.17 1uwd n ILE 72 Cb 0.43 -0.46 -0.09 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.16 -0.82 0.00 0.38 0.28 -1.26 -3.86 120.64 115.52 1uwd n GLU 73 Ca 0.08 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1uwd n GLU 73 Cb 0.52 -4.16 0.00 0.00 1.43 0.00 0.00 31.44 29.23 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 -1.78 0.00 3.07 -1.84 0.00 -1.26 -5.04 105.19 98.34 1uwd n GLY 74 Ca -0.09 -0.00 -0.12 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 -0.25 1.61 3.14 -1.25 -4.71 118.33 116.87 1uwd n VAL 75 Ca 0.00 -0.03 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 1uwd n VAL 75 Cb 0.00 -1.35 -0.06 0.00 -1.06 0.00 0.00 33.84 31.37 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 5.67 -0.63 -4.44 6.55 5.15 -0.83 -4.69 115.26 122.03 1uwd n ASN 76 Ca 0.13 1.33 -0.22 0.00 -0.60 0.00 0.00 54.58 55.22 1uwd n ASN 76 Cb 0.13 -0.27 -0.10 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 -4.68 2.88 -0.41 1.20 2.47 -1.22 -5.00 114.94 110.18 1uwd s ASN 77 Ca -0.07 -1.20 0.01 0.00 0.42 0.00 0.00 52.86 52.03 1uwd s ASN 77 Cb 0.07 -0.19 0.14 0.00 -1.45 0.00 0.00 41.25 39.81 1uwd s ASN 77 CO 0.37 -0.33 0.23 -0.69 -3.72 0.00 0.00 177.10 172.96 1uwd s VAL 78 N -2.97 0.93 -1.05 -5.21 1.01 -1.26 -1.70 120.40 110.15 1uwd s VAL 78 Ca 0.30 -2.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 1uwd s VAL 78 Cb 0.04 -1.66 0.32 0.00 0.00 0.00 0.00 36.38 35.07 1uwd s VAL 78 CO 0.13 -0.93 1.69 -0.62 0.00 0.00 0.00 175.10 175.36 1uwd n GLU 79 N 3.74 5.06 -2.61 2.72 -0.58 0.12 -4.97 120.64 124.12 1uwd n GLU 79 Ca 0.10 -4.63 -0.43 0.00 -0.42 0.00 0.00 57.16 51.78 1uwd n GLU 79 Cb 0.35 -2.49 -0.02 0.00 -0.57 0.00 0.00 31.44 28.72 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 -3.72 4.36 -0.19 2.62 1.01 -1.26 -1.42 120.40 121.80 1uwd s VAL 80 Ca 0.36 1.49 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 1uwd s VAL 80 Cb 0.13 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1uwd s VAL 80 CO -0.03 -0.73 0.15 -1.61 0.00 0.00 0.00 175.10 172.88 1uwd s GLU 81 N 4.05 4.12 -0.72 2.72 2.02 -0.08 -4.97 118.70 125.83 1uwd s GLU 81 Ca 0.47 -0.18 -0.11 0.00 0.02 0.00 0.00 54.97 55.17 1uwd s GLU 81 Cb -0.10 -3.40 0.19 0.00 0.10 0.00 0.00 34.13 30.92 1uwd s GLU 81 CO 0.23 0.35 0.62 -1.17 0.02 0.00 0.00 175.26 175.31 1uwd s LEU 82 N 0.22 6.23 -0.89 1.80 2.96 -1.26 -1.06 118.68 126.68 1uwd s LEU 82 Ca 0.10 -2.58 -0.16 0.00 -0.22 0.00 0.00 54.13 51.27 1uwd s LEU 82 Cb -0.11 -2.10 0.19 0.00 0.50 0.00 0.00 46.19 44.66 1uwd s LEU 82 CO -0.01 -0.56 0.94 -0.89 -1.32 0.00 0.00 176.35 174.51 1uwd s THR 83 N 0.35 5.27 -0.43 3.68 2.01 0.09 -4.85 115.64 121.75 1uwd s THR 83 Ca 0.15 -2.16 0.23 0.00 0.31 0.00 0.00 61.69 60.22 1uwd s THR 83 Cb -0.16 -4.61 0.04 0.00 0.01 0.00 0.00 72.50 67.79 1uwd s THR 83 CO -0.06 -1.24 1.21 -0.26 -0.69 0.00 0.00 174.62 173.58 1uwd h PHE 84 N 8.13 0.00 0.52 4.92 0.04 -1.94 -3.38 116.94 125.22 1uwd h PHE 84 Ca 0.14 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1uwd h PHE 84 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1uwd h PHE 84 CO 1.08 0.00 -0.28 -0.44 -0.60 0.00 0.00 178.31 178.07 1uwd h ASP 85 N 0.00 -0.69 -4.05 2.17 3.45 -1.99 -3.44 116.42 111.88 1uwd h ASP 85 Ca 0.00 0.03 -0.48 0.00 0.43 0.00 0.00 57.03 57.01 1uwd h ASP 85 Cb 0.88 0.19 0.03 0.00 -0.56 0.00 0.00 39.33 39.88 1uwd h ASP 85 CO 0.00 -0.46 0.40 -2.16 -1.57 0.00 0.00 179.24 175.45 1uwd s PRO 86 N -6.07 3.83 -0.70 3.56 0.04 -1.26 -4.96 135.00 129.44 1uwd s PRO 86 Ca -0.17 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.05 1uwd s PRO 86 Cb 0.04 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1uwd s PRO 86 CO 0.63 -0.42 1.25 -1.25 0.04 0.00 0.00 177.00 177.25 1uwd s PRO 87 N -3.04 3.26 0.00 0.56 0.04 -1.26 -4.97 135.00 129.59 1uwd s PRO 87 Ca 0.66 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1uwd s PRO 87 Cb -0.19 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1uwd s PRO 87 CO 0.23 -2.03 0.01 1.87 0.04 0.00 0.00 177.00 177.12 1uwd n TRP 88 N 9.12 0.00 0.00 0.56 -0.00 -1.26 -4.94 117.44 120.92 1uwd n TRP 88 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 1uwd n TRP 88 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.80 1uwd n TRP 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1uwd n THR 89 N -0.02 0.00 0.31 5.87 -1.04 -1.26 -5.04 114.28 113.09 1uwd n THR 89 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1uwd n THR 89 Cb 0.00 0.00 0.96 0.00 -1.82 0.00 0.00 70.33 69.47 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 0.00 -2.82 0.13 -1.97 -1.87 132.00 125.48 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 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 176.94 1uwd n GLU 91 N -3.21 0.10 -0.26 0.86 0.28 -1.26 -2.83 120.64 114.32 1uwd n GLU 91 Ca -0.02 0.18 0.01 0.00 -0.16 0.00 0.00 57.16 57.18 1uwd n GLU 91 Cb 0.17 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.68 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uwd h ARG 92 N 0.00 0.70 -7.10 3.44 2.47 -1.59 -3.44 114.38 108.86 1uwd h ARG 92 Ca 0.00 -0.04 -0.55 0.00 -1.26 0.00 0.00 59.98 58.12 1uwd h ARG 92 Cb 0.22 -0.16 0.17 0.00 -1.65 0.00 0.00 29.97 28.55 1uwd h ARG 92 CO 0.00 0.46 0.39 -1.33 0.56 0.00 0.00 179.97 180.05 1uwd n MET 93 N -4.78 0.77 -1.58 0.04 2.81 -1.10 -4.55 117.12 108.73 1uwd n MET 93 Ca 0.11 0.32 -0.38 0.00 -1.81 0.00 0.00 57.70 55.95 1uwd n MET 93 Cb 0.24 -2.45 0.05 0.00 -0.71 0.00 0.00 33.22 30.35 1uwd n MET 93 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1uwd n SER 94 N -2.19 0.36 -0.05 7.83 7.64 -1.13 -4.83 113.62 121.25 1uwd n SER 94 Ca 0.15 0.81 0.08 0.00 1.01 0.00 0.00 58.87 60.92 1uwd n SER 94 Cb 0.49 -1.33 0.46 0.00 -1.01 0.00 0.00 64.21 62.82 1uwd n SER 94 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1uwd n PRO 95 N -0.68 1.06 0.06 1.43 -0.04 -1.26 -1.19 135.00 134.38 1uwd n PRO 95 Ca 0.13 -0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1uwd n PRO 95 Cb 0.47 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 1uwd n PRO 95 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1uwd h GLU 96 N 0.19 0.07 0.00 0.54 4.22 -2.01 -3.41 114.58 114.19 1uwd h GLU 96 Ca 0.00 -0.13 -0.24 0.00 0.08 0.00 0.00 59.36 59.08 1uwd h GLU 96 Cb 0.04 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1uwd h GLU 96 CO 0.00 0.98 -1.22 -0.07 -2.18 0.00 0.00 179.01 176.51 1uwd h LEU 97 N 0.02 0.00 -1.31 1.64 3.38 -1.49 -1.33 115.31 116.22 1uwd h LEU 97 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1uwd h LEU 97 Cb 1.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1uwd h LEU 97 CO 0.14 1.00 -0.07 0.03 0.09 0.00 0.00 178.44 179.62 1uwd h ARG 98 N 0.00 0.38 -0.06 1.13 -0.00 -1.76 0.11 114.38 114.18 1uwd h ARG 98 Ca -0.10 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.98 59.11 1uwd h ARG 98 Cb 1.85 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 31.76 1uwd h ARG 98 CO 0.11 0.47 -0.77 0.93 0.00 0.00 0.00 179.97 180.71 1uwd h GLU 99 N 0.36 0.41 0.28 0.04 5.08 -1.75 -3.33 114.58 115.66 1uwd h GLU 99 Ca 0.08 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1uwd h GLU 99 Cb 0.36 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1uwd h GLU 99 CO 0.02 1.00 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.67 1uwd h LYS 100 N 0.27 -0.36 0.00 2.33 3.64 -0.68 -3.47 116.57 118.31 1uwd h LYS 100 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1uwd h LYS 100 Cb 1.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1uwd h LYS 100 CO 0.13 -0.24 0.00 1.19 -2.27 0.00 0.00 179.45 178.26 1uwd n PHE 101 N -3.00 -3.36 -3.10 1.91 3.72 0.34 -5.04 117.46 108.93 1uwd n PHE 101 Ca -0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.13 1uwd n PHE 101 Cb 0.15 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1uwd n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uwd n GLY 102 N 3.78 4.43 0.00 1.37 0.00 -1.26 -4.89 105.19 108.62 1uwd n GLY 102 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70