#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 4.27 -0.07 7.83 0.15 -1.26 -5.04 113.70 119.57 1uwd s SER 3 Ca 0.00 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1uwd s SER 3 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1uwd s SER 3 CO 0.00 -2.21 -0.05 -1.59 1.20 0.00 0.00 173.24 170.59 1uwd s LYS 4 N -4.18 1.10 -0.42 5.44 -2.85 -1.26 -5.06 119.74 112.51 1uwd s LYS 4 Ca 0.70 -0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.61 1uwd s LYS 4 Cb -0.25 -1.18 0.27 0.00 -2.06 0.00 0.00 37.83 34.62 1uwd s LYS 4 CO 0.47 -0.18 0.73 1.17 0.10 0.00 0.00 175.35 177.64 1uwd n LYS 5 N 4.56 0.81 -1.69 1.78 0.00 -1.26 -4.90 118.16 117.46 1uwd n LYS 5 Ca -0.16 -2.68 -0.36 0.00 0.00 0.00 0.00 58.31 55.11 1uwd n LYS 5 Cb 0.50 -1.35 0.07 0.00 0.00 0.00 0.00 35.03 34.26 1uwd n LYS 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1uwd s VAL 6 N -0.69 2.12 0.34 3.15 1.01 -1.26 -5.03 120.40 120.04 1uwd s VAL 6 Ca 0.34 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1uwd s VAL 6 Cb 0.23 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1uwd s VAL 6 CO -0.14 -0.02 0.13 0.42 0.00 0.00 0.00 175.10 175.50 1uwd s THR 7 N -1.54 0.54 0.27 3.92 -4.23 -1.26 -4.90 115.64 108.44 1uwd s THR 7 Ca 0.80 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1uwd s THR 7 Cb -0.35 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1uwd s THR 7 CO 0.40 0.00 1.83 0.07 -0.54 0.00 0.00 174.62 176.39 1uwd h LYS 8 N 2.07 0.94 -0.57 3.99 2.10 -1.95 -0.77 116.57 122.38 1uwd h LYS 8 Ca -0.35 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.28 1uwd h LYS 8 Cb 1.26 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 32.33 1uwd h LYS 8 CO 0.56 0.62 0.32 0.93 -2.00 0.00 0.00 179.45 179.87 1uwd h GLU 9 N 0.96 0.59 -0.00 0.07 5.08 -1.96 -1.23 114.58 118.09 1uwd h GLU 9 Ca 0.46 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.53 1uwd h GLU 9 Cb 0.40 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1uwd h GLU 9 CO -0.25 0.39 -1.00 -0.44 -1.00 0.00 0.00 179.01 176.71 1uwd h ASP 10 N 0.61 0.77 -0.96 1.42 3.32 -1.68 -1.54 116.42 118.36 1uwd h ASP 10 Ca 0.24 -0.62 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1uwd h ASP 10 Cb 0.11 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1uwd h ASP 10 CO -0.14 1.42 0.63 0.58 -1.72 0.00 0.00 179.24 180.01 1uwd h VAL 11 N 0.34 1.24 -0.00 -1.35 2.07 -1.06 0.59 116.25 118.08 1uwd h VAL 11 Ca -0.11 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1uwd h VAL 11 Cb 1.65 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1uwd h VAL 11 CO 0.19 0.24 -0.68 -0.07 0.02 0.00 0.00 177.57 177.26 1uwd h LEU 12 N 1.29 0.02 -0.12 2.57 3.38 -0.97 -0.83 115.31 120.66 1uwd h LEU 12 Ca 0.35 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 1uwd h LEU 12 Cb -0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1uwd h LEU 12 CO -0.08 0.70 -0.96 0.78 0.09 0.00 0.00 178.44 178.97 1uwd h ASN 13 N 0.01 0.08 0.21 -0.43 2.35 -0.97 -3.32 115.58 113.51 1uwd h ASN 13 Ca -0.01 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1uwd h ASN 13 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1uwd h ASN 13 CO 0.09 0.99 -0.10 0.00 -1.65 0.00 0.00 177.43 176.76 1uwd h ALA 14 N 1.00 -0.28 0.00 -0.83 0.00 -0.62 -3.32 119.26 115.22 1uwd h ALA 14 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1uwd h ALA 14 Cb 1.67 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1uwd h ALA 14 CO 0.13 -0.33 0.13 -0.07 0.00 0.00 0.00 179.25 179.11 1uwd h LEU 15 N -0.93 0.00 0.00 0.00 3.38 -1.30 -2.37 115.31 114.09 1uwd h LEU 15 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uwd h LEU 15 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1uwd h LEU 15 CO 0.05 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.87 1uwd n LYS 16 N -2.28 0.00 -0.11 1.13 5.02 -1.25 -1.13 118.16 119.55 1uwd n LYS 16 Ca -0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1uwd n LYS 16 Cb 0.16 -1.12 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 1uwd n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uwd n ASN 17 N -0.57 1.69 -4.54 4.39 0.23 -0.89 -4.98 115.26 110.58 1uwd n ASN 17 Ca 0.00 -0.09 -0.43 0.00 -0.53 0.00 0.00 54.58 53.53 1uwd n ASN 17 Cb 0.00 0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 37.69 1uwd n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1uwd s VAL 18 N -2.46 4.45 0.04 3.53 0.11 -0.29 -4.97 120.40 120.83 1uwd s VAL 18 Ca -0.24 0.49 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 1uwd s VAL 18 Cb 0.07 -4.47 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 1uwd s VAL 18 CO 0.60 -0.95 0.77 -0.63 -3.33 0.00 0.00 175.10 171.55 1uwd s ILE 19 N 3.79 4.74 -0.14 7.04 -1.09 -1.26 -2.20 121.20 132.08 1uwd s ILE 19 Ca 0.33 1.63 -0.26 0.00 -2.23 0.00 0.00 60.65 60.12 1uwd s ILE 19 Cb -0.11 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1uwd s ILE 19 CO 0.23 0.36 0.85 -0.62 -1.23 0.00 0.00 174.94 174.52 1uwd s ASP 20 N -0.03 7.02 0.50 3.58 -1.08 -0.33 -4.94 116.67 121.39 1uwd s ASP 20 Ca 0.39 1.25 0.17 0.00 -0.52 0.00 0.00 52.55 53.83 1uwd s ASP 20 Cb -0.20 -2.47 1.21 0.00 -1.46 0.00 0.00 42.92 40.00 1uwd s ASP 20 CO 0.23 -0.37 2.10 -0.26 0.52 0.00 0.00 175.17 177.39 1uwd h PHE 21 N 7.21 0.00 0.00 -5.34 -1.00 -1.97 1.00 116.94 116.84 1uwd h PHE 21 Ca -0.31 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.43 1uwd h PHE 21 Cb 1.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.70 1uwd h PHE 21 CO 0.71 0.07 -0.16 1.49 -1.61 0.00 0.00 178.31 178.81 1uwd h GLU 22 N 0.00 0.00 0.00 1.51 4.22 -1.96 -3.34 114.58 115.01 1uwd h GLU 22 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1uwd h GLU 22 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uwd h GLU 22 CO 0.01 0.16 -0.55 1.28 -2.18 0.00 0.00 179.01 177.74 1uwd n LEU 23 N -3.68 0.52 0.00 1.64 7.99 -1.18 -5.06 117.00 117.23 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 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 1uwd n LEU 23 CO 0.32 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 1uwd n GLY 24 N 2.10 0.80 3.56 -0.72 0.00 0.34 -5.07 105.19 106.20 1uwd n GLY 24 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 2.75 0.40 0.99 2.01 -1.25 -4.89 118.68 118.69 1uwd s LEU 25 Ca 0.00 -1.28 -0.23 0.00 0.01 0.00 0.00 54.13 52.62 1uwd s LEU 25 Cb 0.00 -0.89 -0.10 0.00 0.01 0.00 0.00 46.19 45.21 1uwd s LEU 25 CO 0.00 -0.35 0.99 1.51 1.01 0.00 0.00 176.35 179.51 1uwd s ASP 26 N -3.63 6.93 0.40 2.29 -4.77 -1.26 -1.18 116.67 115.44 1uwd s ASP 26 Ca 0.34 1.87 0.14 0.00 -3.30 0.00 0.00 52.55 51.59 1uwd s ASP 26 Cb 0.06 -2.57 0.98 0.00 -1.09 0.00 0.00 42.92 40.30 1uwd s ASP 26 CO 0.17 -0.37 1.88 -0.37 0.70 0.00 0.00 175.17 177.17 1uwd h VAL 27 N 2.15 0.76 0.00 2.11 -1.51 -1.65 0.13 116.25 118.24 1uwd h VAL 27 Ca -0.48 -0.18 -0.13 0.00 -1.23 0.00 0.00 66.70 64.68 1uwd h VAL 27 Cb 1.20 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1uwd h VAL 27 CO 0.62 0.09 -0.64 0.58 -1.23 0.00 0.00 177.57 177.00 1uwd h VAL 28 N 0.51 1.13 0.38 7.19 2.07 -1.87 -0.07 116.25 125.60 1uwd h VAL 28 Ca 0.44 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 1uwd h VAL 28 Cb 0.92 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1uwd h VAL 28 CO -0.18 0.62 -0.18 0.28 0.02 0.00 0.00 177.57 178.13 1uwd h SER 29 N 0.00 -0.44 0.00 0.57 0.02 -1.43 -3.16 113.55 109.11 1uwd h SER 29 Ca -0.01 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1uwd h SER 29 Cb 1.43 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1uwd h SER 29 CO 0.08 -0.20 0.05 -0.07 -1.14 0.00 0.00 176.83 175.55 1uwd h LEU 30 N -0.66 0.00 -2.34 5.07 3.38 -0.54 -3.32 115.31 116.89 1uwd h LEU 30 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1uwd h LEU 30 Cb 0.48 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.39 1uwd h LEU 30 CO 0.09 0.00 -0.70 0.61 0.09 0.00 0.00 178.44 178.53 1uwd n GLY 31 N -1.18 -0.67 0.11 0.83 0.00 -0.07 -3.96 105.19 100.25 1uwd n GLY 31 Ca -0.02 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 1uwd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwd n LEU 32 N -3.10 1.89 -4.51 0.99 4.77 -1.05 -4.81 117.00 111.18 1uwd n LEU 32 Ca -0.10 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1uwd n LEU 32 Cb 0.61 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1uwd n LEU 32 CO 0.49 0.11 1.97 1.33 -1.33 0.00 0.00 177.39 179.97 1uwd n VAL 33 N -4.42 0.07 0.06 4.08 0.24 -1.26 -3.27 118.33 113.83 1uwd n VAL 33 Ca -0.30 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.34 61.55 1uwd n VAL 33 Cb 0.63 -1.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.07 1uwd n VAL 33 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1uwd h TYR 34 N 15.12 -0.16 -3.91 6.34 0.05 -0.61 -3.48 116.97 130.32 1uwd h TYR 34 Ca -0.23 -0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.06 1uwd h TYR 34 Cb 1.29 0.05 -0.31 0.00 1.01 0.00 0.00 36.73 38.78 1uwd h TYR 34 CO 0.98 -0.10 -0.81 0.34 -1.05 0.00 0.00 178.16 177.52 1uwd s ASP 35 N -3.13 1.61 -0.30 3.88 3.68 -1.08 -4.98 116.67 116.36 1uwd s ASP 35 Ca -0.03 -0.26 -0.03 0.00 2.13 0.00 0.00 52.55 54.37 1uwd s ASP 35 Cb 0.00 -0.39 0.11 0.00 -1.45 0.00 0.00 42.92 41.18 1uwd s ASP 35 CO 0.08 0.11 0.14 -0.63 0.13 0.00 0.00 175.17 175.00 1uwd s ILE 36 N 0.05 0.05 -0.20 4.11 1.01 -1.26 -0.78 121.20 124.18 1uwd s ILE 36 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1uwd s ILE 36 Cb -0.09 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1uwd s ILE 36 CO 0.01 -0.76 -0.13 -1.10 0.00 0.00 0.00 174.94 172.96 1uwd s GLN 37 N 1.91 2.34 -0.25 2.79 -0.21 0.02 -4.69 119.66 121.56 1uwd s GLN 37 Ca 0.10 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.59 1uwd s GLN 37 Cb -0.17 -2.52 0.05 0.00 1.00 0.00 0.00 33.01 31.37 1uwd s GLN 37 CO -0.31 -0.38 -0.12 0.42 -2.12 0.00 0.00 175.29 172.78 1uwd s ILE 38 N 1.32 2.11 1.04 1.08 -1.09 -1.26 -1.03 121.20 123.37 1uwd s ILE 38 Ca -0.01 -1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 56.78 1uwd s ILE 38 Cb -0.16 -2.19 0.21 0.00 -1.58 0.00 0.00 42.46 38.74 1uwd s ILE 38 CO -0.09 0.04 1.08 -0.62 -1.23 0.00 0.00 174.94 174.12 1uwd s ASP 39 N 1.14 2.06 0.42 3.58 -1.08 -0.87 -4.89 116.67 117.03 1uwd s ASP 39 Ca -0.07 1.72 0.12 0.00 -0.52 0.00 0.00 52.55 53.79 1uwd s ASP 39 Cb -0.19 -2.35 0.89 0.00 -1.46 0.00 0.00 42.92 39.81 1uwd s ASP 39 CO -0.06 -3.56 1.96 -0.78 0.52 0.00 0.00 175.17 173.25 1uwd h ASP 40 N -2.19 0.14 -0.14 -0.34 3.58 -1.96 -1.63 116.42 113.88 1uwd h ASP 40 Ca -0.53 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 56.85 1uwd h ASP 40 Cb 1.30 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1uwd h ASP 40 CO 0.48 0.28 0.05 0.00 -2.88 0.00 0.00 179.24 177.18 1uwd n GLN 41 N -4.32 1.58 -2.87 0.28 1.13 -1.26 -4.86 117.38 107.07 1uwd n GLN 41 Ca -0.01 -0.61 -0.15 0.00 -1.94 0.00 0.00 57.00 54.29 1uwd n GLN 41 Cb 0.24 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 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 0.14 -3.14 -4.57 1.08 3.02 -0.61 -4.56 115.26 106.62 1uwd n ASN 42 Ca 0.08 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 1uwd n ASN 42 Cb 0.54 -2.68 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 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 -2.32 5.71 0.05 6.41 0.02 -1.25 -2.28 114.94 121.26 1uwd s ASN 43 Ca 0.18 0.50 -0.31 0.00 -1.02 0.00 0.00 52.86 52.21 1uwd s ASN 43 Cb -0.09 -2.53 -0.07 0.00 0.02 0.00 0.00 41.25 38.57 1uwd s ASN 43 CO 0.22 -2.00 1.46 -0.69 0.02 0.00 0.00 177.10 176.11 1uwd s VAL 44 N 7.54 3.44 -0.14 1.60 1.01 -0.34 -2.05 120.40 131.46 1uwd s VAL 44 Ca 0.64 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 1uwd s VAL 44 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1uwd s VAL 44 CO 0.25 0.01 -0.07 -0.75 0.00 0.00 0.00 175.10 174.54 1uwd s LYS 45 N 2.15 1.55 -0.03 2.72 2.20 -0.20 -0.55 119.74 127.58 1uwd s LYS 45 Ca 0.67 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 1uwd s LYS 45 Cb -0.35 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 1uwd s LYS 45 CO 0.29 -0.34 -0.02 0.08 -0.36 0.00 0.00 175.35 174.99 1uwd s VAL 46 N 1.65 0.34 -0.26 4.02 1.01 -0.83 -0.80 120.40 125.53 1uwd s VAL 46 Ca 0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1uwd s VAL 46 Cb -0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1uwd s VAL 46 CO -0.08 0.17 0.86 -0.76 0.00 0.00 0.00 175.10 175.29 1uwd s LEU 47 N 0.81 4.07 0.36 3.92 1.02 0.04 -0.27 118.68 128.63 1uwd s LEU 47 Ca -0.09 0.97 0.03 0.00 0.02 0.00 0.00 54.13 55.06 1uwd s LEU 47 Cb -0.12 -3.22 -0.04 0.00 0.02 0.00 0.00 46.19 42.83 1uwd s LEU 47 CO -0.01 -0.59 0.11 0.00 0.02 0.00 0.00 176.35 175.88 1uwd s MET 48 N 2.98 1.78 0.34 1.70 0.23 -1.23 0.15 119.30 125.26 1uwd s MET 48 Ca 0.36 -2.05 0.05 0.00 -1.03 0.00 0.00 55.69 53.02 1uwd s MET 48 Cb -0.15 -0.61 -0.02 0.00 -1.53 0.00 0.00 34.83 32.53 1uwd s MET 48 CO 0.09 -0.38 0.35 -2.37 -2.03 0.00 0.00 175.02 170.68 1uwd n THR 49 N -0.78 0.00 -4.41 3.16 5.66 -1.20 -0.86 114.28 115.84 1uwd n THR 49 Ca -0.04 -2.29 -0.24 0.00 -3.05 0.00 0.00 64.05 58.44 1uwd n THR 49 Cb 0.65 1.20 -0.11 0.00 -1.55 0.00 0.00 70.33 70.53 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 -3.21 1.51 0.31 1.09 -1.94 -1.26 -4.82 119.30 110.97 1uwd s MET 50 Ca 0.37 -1.60 -0.01 0.00 -1.71 0.00 0.00 55.69 52.74 1uwd s MET 50 Cb 0.01 -1.62 0.49 0.00 2.01 0.00 0.00 34.83 35.72 1uwd s MET 50 CO 0.27 0.32 1.96 1.15 -0.01 0.00 0.00 175.02 178.70 1uwd h THR 51 N 2.77 1.20 -3.81 2.05 2.02 -2.00 -3.43 112.91 111.70 1uwd h THR 51 Ca -0.42 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1uwd h THR 51 Cb 1.23 0.17 -0.14 0.00 -1.74 0.00 0.00 68.15 67.67 1uwd h THR 51 CO 0.55 0.21 -0.36 0.42 0.37 0.00 0.00 175.52 176.70 1uwd s THR 52 N -5.76 0.14 -2.00 3.16 -4.23 -1.26 -4.88 115.64 100.80 1uwd s THR 52 Ca -0.11 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1uwd s THR 52 Cb 0.17 -1.38 0.20 0.00 1.34 0.00 0.00 72.50 72.83 1uwd s THR 52 CO 0.79 -0.62 0.97 -0.81 -0.54 0.00 0.00 174.62 174.40 1uwd n PRO 53 N -0.07 0.64 0.03 3.99 -0.04 -1.26 -3.95 135.00 134.33 1uwd n PRO 53 Ca -0.14 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.42 1uwd n PRO 53 Cb 0.62 -1.17 0.54 0.00 -0.04 0.00 0.00 33.50 33.45 1uwd n PRO 53 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1uwd h MET 54 N 0.00 0.29 -6.83 0.54 2.86 -1.99 -3.46 114.93 106.34 1uwd h MET 54 Ca 0.00 -0.02 -0.47 0.00 -2.06 0.00 0.00 59.70 57.16 1uwd h MET 54 Cb 0.00 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.50 1uwd h MET 54 CO 0.00 0.19 -0.75 0.00 1.06 0.00 0.00 176.91 177.41 1uwd h PRO 56 N -1.19 0.38 -0.44 0.00 0.13 -1.93 -2.78 132.00 126.17 1uwd h PRO 56 Ca -0.52 -0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.32 1uwd h PRO 56 Cb 1.06 -0.09 -0.40 0.00 0.13 0.00 0.00 31.00 31.71 1uwd h PRO 56 CO 0.47 0.25 -1.09 1.47 -0.23 0.00 0.00 178.00 178.87 1uwd n LEU 57 N -4.93 1.83 0.30 1.56 -0.00 -1.26 -4.94 117.00 109.56 1uwd n LEU 57 Ca 0.02 -3.13 0.17 0.00 -0.00 0.00 0.00 56.01 53.07 1uwd n LEU 57 Cb 0.10 0.39 0.97 0.00 -0.00 0.00 0.00 43.42 44.89 1uwd n LEU 57 CO 0.30 1.10 1.12 0.00 -0.00 0.00 0.00 177.39 179.90 1uwd h ALA 58 N 2.51 1.32 -0.47 1.47 0.00 -1.86 -0.94 119.26 121.29 1uwd h ALA 58 Ca -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uwd h ALA 58 Cb 1.31 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1uwd h ALA 58 CO 0.22 0.02 0.31 0.78 0.00 0.00 0.00 179.25 180.59 1uwd h GLY 59 N 0.20 0.66 0.76 0.00 0.00 -1.92 0.15 103.07 102.93 1uwd h GLY 59 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1uwd h GLY 59 CO 0.00 0.23 -0.46 -0.33 0.00 0.00 0.00 176.54 175.98 1uwd h MET 60 N 0.62 -1.04 -0.76 4.80 2.07 -1.62 -1.16 114.93 117.84 1uwd h MET 60 Ca 0.18 0.07 0.15 0.00 -2.07 0.00 0.00 59.70 58.03 1uwd h MET 60 Cb -0.05 0.24 -0.10 0.00 -1.87 0.00 0.00 31.60 29.81 1uwd h MET 60 CO -0.05 -0.69 0.29 0.82 1.07 0.00 0.00 176.91 178.35 1uwd h ILE 61 N -1.08 0.62 -0.45 -1.22 2.04 -1.03 0.22 117.51 116.61 1uwd h ILE 61 Ca -0.09 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 1uwd h ILE 61 Cb 0.88 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1uwd h ILE 61 CO 0.06 0.08 -0.28 -0.07 0.00 0.00 0.00 178.15 177.94 1uwd h LEU 62 N 0.41 1.01 -0.60 1.44 3.38 -0.68 -0.70 115.31 119.58 1uwd h LEU 62 Ca 0.43 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1uwd h LEU 62 Cb 0.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1uwd h LEU 62 CO -0.43 1.22 0.03 0.28 0.09 0.00 0.00 178.44 179.62 1uwd h SER 63 N 0.82 1.01 0.21 -0.43 0.02 0.16 -2.46 113.55 112.88 1uwd h SER 63 Ca 0.09 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1uwd h SER 63 Cb 0.87 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1uwd h SER 63 CO 0.08 1.06 -0.10 0.44 -1.14 0.00 0.00 176.83 177.16 1uwd h ASP 64 N 0.94 -0.24 -0.39 3.07 3.45 -0.49 0.57 116.42 123.33 1uwd h ASP 64 Ca 0.17 -0.25 0.01 0.00 0.43 0.00 0.00 57.03 57.40 1uwd h ASP 64 Cb 0.52 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1uwd h ASP 64 CO 0.03 0.15 0.24 0.00 -1.57 0.00 0.00 179.24 178.08 1uwd h ALA 65 N 0.00 0.49 -0.99 3.45 0.00 -1.22 -0.25 119.26 120.74 1uwd h ALA 65 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1uwd h ALA 65 Cb 0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1uwd h ALA 65 CO 0.05 -0.08 0.63 1.49 0.00 0.00 0.00 179.25 181.34 1uwd h GLU 66 N 0.49 0.99 -0.65 0.00 4.81 -1.38 -1.27 114.58 117.57 1uwd h GLU 66 Ca 0.15 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1uwd h GLU 66 Cb -0.03 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1uwd h GLU 66 CO -0.05 0.65 0.40 1.05 -0.73 0.00 0.00 179.01 180.34 1uwd h GLU 67 N 1.02 0.87 0.00 1.92 -0.00 0.68 0.18 114.58 119.25 1uwd h GLU 67 Ca 0.48 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 59.77 1uwd h GLU 67 Cb 0.43 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1uwd h GLU 67 CO -0.24 0.61 -0.01 0.00 -0.00 0.00 0.00 179.01 179.38 1uwd h ALA 68 N 1.21 1.00 0.02 1.06 0.00 -0.01 -1.54 119.26 121.00 1uwd h ALA 68 Ca 0.23 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.77 1uwd h ALA 68 Cb -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1uwd h ALA 68 CO -0.05 0.01 -2.05 -0.89 0.00 0.00 0.00 179.25 176.27 1uwd n ILE 69 N -3.10 1.56 0.94 0.00 5.41 -0.67 -4.22 119.36 119.28 1uwd n ILE 69 Ca 0.00 -0.33 0.10 0.00 1.00 0.00 0.00 62.75 63.52 1uwd n ILE 69 Cb 0.29 -1.85 0.50 0.00 -0.71 0.00 0.00 39.64 37.87 1uwd n ILE 69 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1uwd n LYS 70 N -4.07 0.28 0.00 0.38 2.85 0.58 -2.25 118.16 115.93 1uwd n LYS 70 Ca -0.43 0.10 0.15 0.00 -1.05 0.00 0.00 58.31 57.08 1uwd n LYS 70 Cb 0.86 -1.50 0.75 0.00 -0.65 0.00 0.00 35.03 34.49 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 -1.29 1.28 -0.01 -1.58 2.85 -0.59 -3.96 118.16 114.86 1uwd n LYS 71 Ca 0.09 -0.43 0.12 0.00 -1.05 0.00 0.00 58.31 57.05 1uwd n LYS 71 Cb 0.16 -1.49 0.65 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.49 0.03 -4.10 0.58 5.41 -0.95 -4.94 119.36 114.90 1uwd n ILE 72 Ca 0.22 -0.10 -0.37 0.00 1.00 0.00 0.00 62.75 63.50 1uwd n ILE 72 Cb 0.22 -0.12 -0.02 0.00 -0.71 0.00 0.00 39.64 39.00 1uwd n ILE 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1uwd n GLU 73 N -0.52 -0.98 0.00 0.38 2.13 -1.25 -4.49 120.64 115.90 1uwd n GLU 73 Ca 0.18 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1uwd n GLU 73 Cb 0.17 -3.31 0.00 0.00 0.27 0.00 0.00 31.44 28.57 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 -2.21 0.00 2.83 8.31 0.00 -1.26 -5.02 105.19 107.84 1uwd n GLY 74 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 2.30 -0.26 1.61 0.31 -1.26 -4.71 118.33 116.31 1uwd n VAL 75 Ca 0.00 -1.67 -0.10 0.00 -0.01 0.00 0.00 64.34 62.56 1uwd n VAL 75 Cb 0.00 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 30.60 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 6.96 -1.77 -3.39 4.52 -1.24 -1.71 -3.41 115.58 115.53 1uwd h ASN 76 Ca 0.48 0.27 -0.60 0.00 0.71 0.00 0.00 56.30 57.16 1uwd h ASN 76 Cb 0.43 0.78 -0.19 0.00 0.73 0.00 0.00 38.32 40.08 1uwd h ASN 76 CO 1.72 -0.32 -0.81 0.21 -1.29 0.00 0.00 177.43 176.94 1uwd s ASN 77 N -5.24 3.12 -0.19 1.15 2.47 -1.25 -5.03 114.94 109.97 1uwd s ASN 77 Ca -0.14 -0.85 -0.04 0.00 0.42 0.00 0.00 52.86 52.25 1uwd s ASN 77 Cb 0.12 -0.21 0.08 0.00 -1.45 0.00 0.00 41.25 39.79 1uwd s ASN 77 CO 0.64 0.07 0.16 -0.69 -3.72 0.00 0.00 177.10 173.56 1uwd s VAL 78 N -1.75 -0.22 -0.52 -5.21 1.01 -1.26 -1.19 120.40 111.25 1uwd s VAL 78 Ca 0.18 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1uwd s VAL 78 Cb -0.07 -0.65 0.25 0.00 0.00 0.00 0.00 36.38 35.90 1uwd s VAL 78 CO 0.08 -0.26 0.63 -0.62 0.00 0.00 0.00 175.10 174.93 1uwd n GLU 79 N 5.30 1.63 -3.14 2.72 1.02 0.28 -4.99 120.64 123.46 1uwd n GLU 79 Ca -0.06 -3.97 -0.40 0.00 -0.02 0.00 0.00 57.16 52.71 1uwd n GLU 79 Cb 0.49 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.80 5.02 0.70 2.62 1.01 -1.26 -1.96 120.40 124.72 1uwd s VAL 80 Ca 0.37 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 1uwd s VAL 80 Cb 0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1uwd s VAL 80 CO -0.07 0.08 1.08 -0.70 0.00 0.00 0.00 175.10 175.50 1uwd s GLU 81 N 2.17 2.92 -0.41 2.72 2.12 0.62 -4.96 118.70 123.89 1uwd s GLU 81 Ca 0.27 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.15 1uwd s GLU 81 Cb -0.16 -2.02 0.13 0.00 0.26 0.00 0.00 34.13 32.34 1uwd s GLU 81 CO 0.09 -1.01 0.20 -1.17 -0.54 0.00 0.00 175.26 172.84 1uwd s LEU 82 N -5.37 2.72 -0.58 2.70 2.96 -1.26 -3.50 118.68 116.35 1uwd s LEU 82 Ca 0.58 -2.40 -0.23 0.00 -0.22 0.00 0.00 54.13 51.86 1uwd s LEU 82 Cb -0.11 -1.04 0.06 0.00 0.50 0.00 0.00 46.19 45.59 1uwd s LEU 82 CO 0.52 -0.30 0.89 -0.89 -1.32 0.00 0.00 176.35 175.25 1uwd s THR 83 N 0.64 4.46 -0.54 3.68 2.01 -0.04 -4.88 115.64 120.97 1uwd s THR 83 Ca 0.16 -0.10 0.11 0.00 0.31 0.00 0.00 61.69 62.17 1uwd s THR 83 Cb -0.23 -4.55 -0.13 0.00 0.01 0.00 0.00 72.50 67.61 1uwd s THR 83 CO -0.05 -1.18 0.49 0.49 -0.69 0.00 0.00 174.62 173.68 1uwd n PHE 84 N 7.29 0.00 0.21 4.92 3.72 -1.26 -4.50 117.46 127.84 1uwd n PHE 84 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1uwd n PHE 84 Cb 0.46 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.45 -4.24 4.37 5.19 -2.01 -3.45 116.42 115.84 1uwd h ASP 85 Ca 0.00 -0.10 -0.51 0.00 -0.62 0.00 0.00 57.03 55.81 1uwd h ASP 85 Cb 0.27 0.12 0.09 0.00 0.18 0.00 0.00 39.33 39.99 1uwd h ASP 85 CO 0.00 -0.15 0.36 -2.16 -3.12 0.00 0.00 179.24 174.17 1uwd s PRO 86 N -5.14 2.90 1.04 3.56 0.04 -1.26 -5.02 135.00 131.11 1uwd s PRO 86 Ca -0.15 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.99 1uwd s PRO 86 Cb 0.03 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.81 1uwd s PRO 86 CO 0.57 -1.15 1.09 -1.25 0.04 0.00 0.00 177.00 176.30 1uwd s PRO 87 N -4.41 0.05 0.00 0.56 0.04 -1.26 -5.04 135.00 124.94 1uwd s PRO 87 Ca 0.63 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1uwd s PRO 87 Cb -0.17 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1uwd s PRO 87 CO 0.45 -3.20 0.00 1.87 0.04 0.00 0.00 177.00 176.16 1uwd n TRP 88 N -4.60 0.00 0.00 0.56 -0.00 -1.26 -5.08 117.44 107.06 1uwd n TRP 88 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1uwd n TRP 88 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 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 0.29 5.87 -1.04 -1.26 -5.02 114.28 113.11 1uwd n THR 89 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1uwd n THR 89 Cb 0.00 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.13 0.01 -2.82 -0.04 -1.26 -1.28 135.00 129.73 1uwd n PRO 90 Ca 0.00 0.48 0.09 0.00 -0.04 0.00 0.00 63.50 64.03 1uwd n PRO 90 Cb 0.00 -1.80 0.41 0.00 -0.04 0.00 0.00 33.50 32.06 1uwd n PRO 90 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uwd n GLU 91 N -2.05 0.02 0.22 0.54 -0.58 -1.26 -4.08 120.64 113.45 1uwd n GLU 91 Ca 0.01 0.19 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 1uwd n GLU 91 Cb 0.13 -1.53 0.49 0.00 -0.57 0.00 0.00 31.44 29.96 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 0.00 0.00 3.49 2.47 -1.45 -3.45 114.38 115.44 1uwd h ARG 92 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1uwd h ARG 92 Cb 0.34 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.74 1uwd h ARG 92 CO 0.00 0.27 0.05 -1.33 0.56 0.00 0.00 179.97 179.51 1uwd n MET 93 N -3.72 -1.97 -1.70 0.04 2.81 -1.25 -4.17 117.12 107.15 1uwd n MET 93 Ca -0.01 -0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 54.75 1uwd n MET 93 Cb 0.37 -0.71 0.06 0.00 -0.71 0.00 0.00 33.22 32.24 1uwd n MET 93 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1uwd n SER 94 N -3.82 1.87 0.20 7.83 3.41 -1.26 -4.88 113.62 116.98 1uwd n SER 94 Ca 0.07 0.85 0.15 0.00 -0.26 0.00 0.00 58.87 59.67 1uwd n SER 94 Cb 0.25 -1.52 0.63 0.00 -0.26 0.00 0.00 64.21 63.31 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1uwd h PRO 95 N 0.67 0.00 -0.20 4.33 0.13 -1.95 -2.00 132.00 132.99 1uwd h PRO 95 Ca -0.50 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1uwd h PRO 95 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1uwd h PRO 95 CO 0.53 0.00 -0.31 0.93 -0.23 0.00 0.00 178.00 178.92 1uwd h GLU 96 N 0.00 0.57 -0.26 0.86 5.08 -2.00 -2.42 114.58 116.42 1uwd h GLU 96 Ca 0.00 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1uwd h GLU 96 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1uwd h GLU 96 CO 0.00 0.95 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.66 1uwd h LEU 97 N 0.24 0.47 -0.13 1.33 3.38 -1.75 -2.14 115.31 116.72 1uwd h LEU 97 Ca 0.02 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1uwd h LEU 97 Cb 0.90 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1uwd h LEU 97 CO 0.07 0.70 -0.06 0.03 0.09 0.00 0.00 178.44 179.27 1uwd h ARG 98 N 0.42 -0.04 -0.56 1.13 3.08 -1.26 0.52 114.38 117.67 1uwd h ARG 98 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1uwd h ARG 98 Cb 0.62 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1uwd h ARG 98 CO 0.04 -0.03 0.08 1.05 -1.07 0.00 0.00 179.97 180.05 1uwd h GLU 99 N -0.04 0.90 -0.43 0.04 4.11 -1.35 0.21 114.58 118.02 1uwd h GLU 99 Ca 0.07 -0.22 -0.07 0.00 0.07 0.00 0.00 59.36 59.21 1uwd h GLU 99 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1uwd h GLU 99 CO -0.16 0.84 -0.01 -0.22 0.07 0.00 0.00 179.01 179.54 1uwd h LYS 100 N 0.85 0.76 0.12 1.06 3.11 -0.82 -3.19 116.57 118.47 1uwd h LYS 100 Ca 0.18 -0.25 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1uwd h LYS 100 Cb 0.39 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1uwd h LYS 100 CO 0.01 0.84 -0.06 0.74 -2.81 0.00 0.00 179.45 178.17 1uwd h PHE 101 N 0.60 -0.15 0.00 1.91 -1.00 -0.88 -3.50 116.94 113.92 1uwd h PHE 101 Ca 0.12 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1uwd h PHE 101 Cb 0.50 0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1uwd h PHE 101 CO 0.04 0.30 0.00 0.41 -1.61 0.00 0.00 178.31 177.45 1uwd n GLY 102 N 0.90 0.74 0.00 -1.45 0.00 0.70 -5.10 105.19 100.98 1uwd n GLY 102 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1uwd n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65