#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 -0.19 -2.68 6.12 2.88 -1.26 -5.00 113.62 113.49 1uwd n SER 3 Ca 0.00 0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.55 1uwd n SER 3 Cb 0.00 0.43 0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1uwd n SER 3 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1uwd n LYS 4 N -2.33 0.54 -3.40 -1.46 2.85 -1.26 -5.10 118.16 108.00 1uwd n LYS 4 Ca 0.00 -1.14 -0.26 0.00 -1.05 0.00 0.00 58.31 55.86 1uwd n LYS 4 Cb 0.00 -0.15 -0.10 0.00 -0.65 0.00 0.00 35.03 34.13 1uwd n LYS 4 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1uwd s LYS 5 N 0.10 0.68 0.67 -1.58 2.20 -1.26 -4.86 119.74 115.69 1uwd s LYS 5 Ca 0.13 -1.48 -0.16 0.00 -0.36 0.00 0.00 55.97 54.11 1uwd s LYS 5 Cb 0.22 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 1uwd s LYS 5 CO -0.07 -1.27 1.17 0.08 -0.36 0.00 0.00 175.35 174.90 1uwd s VAL 6 N 0.82 2.74 0.15 4.02 1.01 -1.26 -4.69 120.40 123.20 1uwd s VAL 6 Ca 0.23 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1uwd s VAL 6 Cb -0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1uwd s VAL 6 CO -0.06 -0.18 -0.05 0.42 0.00 0.00 0.00 175.10 175.23 1uwd s THR 7 N -2.02 0.89 0.45 3.92 -4.23 -1.26 -4.85 115.64 108.54 1uwd s THR 7 Ca 0.72 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.41 1uwd s THR 7 Cb -0.26 -1.94 0.22 0.00 1.34 0.00 0.00 72.50 71.86 1uwd s THR 7 CO 0.40 -0.66 2.03 0.07 -0.54 0.00 0.00 174.62 175.93 1uwd h LYS 8 N 2.77 0.00 -0.45 3.99 2.10 -1.96 -1.66 116.57 121.36 1uwd h LYS 8 Ca -0.36 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.30 1uwd h LYS 8 Cb 1.19 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 1uwd h LYS 8 CO 0.64 0.15 0.28 1.49 -2.00 0.00 0.00 179.45 180.01 1uwd h GLU 9 N 0.00 0.55 -0.12 0.07 4.81 -1.97 -0.79 114.58 117.13 1uwd h GLU 9 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1uwd h GLU 9 Cb 0.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1uwd h GLU 9 CO 0.02 0.36 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.00 1uwd h ASP 10 N 0.57 0.41 -0.61 1.04 5.19 -1.84 -2.60 116.42 118.57 1uwd h ASP 10 Ca 0.18 -0.55 0.06 0.00 -0.62 0.00 0.00 57.03 56.10 1uwd h ASP 10 Cb -0.02 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.34 1uwd h ASP 10 CO -0.07 0.88 0.41 0.58 -3.12 0.00 0.00 179.24 177.92 1uwd h VAL 11 N -0.04 1.00 -0.02 -1.35 2.07 -1.08 0.25 116.25 117.08 1uwd h VAL 11 Ca 0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1uwd h VAL 11 Cb 0.80 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1uwd h VAL 11 CO 0.05 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.65 1uwd h LEU 12 N 0.60 0.07 -1.45 2.57 3.38 -1.10 -1.70 115.31 117.69 1uwd h LEU 12 Ca 0.26 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1uwd h LEU 12 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1uwd h LEU 12 CO -0.08 0.59 -0.27 0.78 0.09 0.00 0.00 178.44 179.56 1uwd h ASN 13 N -0.45 0.00 -0.07 -0.43 2.35 -0.98 0.08 115.58 116.08 1uwd h ASN 13 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1uwd h ASN 13 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1uwd h ASN 13 CO 0.01 0.27 -0.10 0.00 -1.65 0.00 0.00 177.43 175.96 1uwd h ALA 14 N 1.73 0.10 0.00 -0.83 0.00 -0.53 -3.25 119.26 116.48 1uwd h ALA 14 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1uwd h ALA 14 Cb 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1uwd h ALA 14 CO 0.03 -0.05 -0.14 -0.07 0.00 0.00 0.00 179.25 179.02 1uwd h LEU 15 N -0.28 0.00 -0.15 0.00 3.38 -0.30 -2.57 115.31 115.39 1uwd h LEU 15 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uwd h LEU 15 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1uwd h LEU 15 CO 0.02 0.14 0.10 0.29 0.09 0.00 0.00 178.44 179.08 1uwd n LYS 16 N -3.93 0.01 -0.00 1.13 5.02 -0.09 -2.18 118.16 118.13 1uwd n LYS 16 Ca -0.02 0.43 -0.20 0.00 -2.02 0.00 0.00 58.31 56.50 1uwd n LYS 16 Cb 0.23 -1.65 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 1uwd n LYS 16 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1uwd h ASN 17 N 0.00 0.32 -2.48 4.39 2.35 -1.65 -3.45 115.58 115.06 1uwd h ASN 17 Ca 0.00 -0.86 -0.54 0.00 -0.55 0.00 0.00 56.30 54.36 1uwd h ASN 17 Cb 0.20 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1uwd h ASN 17 CO 0.00 1.48 1.16 -0.69 -1.65 0.00 0.00 177.43 177.73 1uwd s VAL 18 N -2.42 3.19 -0.12 2.81 1.01 -0.93 -4.99 120.40 118.96 1uwd s VAL 18 Ca -0.19 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1uwd s VAL 18 Cb 0.03 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1uwd s VAL 18 CO 0.75 -0.02 -0.07 -0.63 0.00 0.00 0.00 175.10 175.13 1uwd s ILE 19 N 4.13 1.01 -0.31 2.22 1.01 -1.26 -3.94 121.20 124.06 1uwd s ILE 19 Ca 0.82 -0.32 -0.34 0.00 0.00 0.00 0.00 60.65 60.81 1uwd s ILE 19 Cb -0.39 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 40.91 1uwd s ILE 19 CO 0.37 0.33 2.18 -0.67 0.00 0.00 0.00 174.94 177.14 1uwd n ASP 20 N 4.94 2.41 0.28 3.58 4.64 -1.24 -4.88 116.55 126.28 1uwd n ASP 20 Ca -0.12 0.40 0.18 0.00 -1.38 0.00 0.00 54.79 53.87 1uwd n ASP 20 Cb 0.50 -1.32 0.92 0.00 -1.04 0.00 0.00 41.12 40.17 1uwd n ASP 20 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1uwd h PHE 21 N 12.69 0.00 0.00 -0.67 -1.00 -1.99 -0.30 116.94 125.68 1uwd h PHE 21 Ca -0.31 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.21 1uwd h PHE 21 Cb 1.30 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.88 1uwd h PHE 21 CO 0.95 0.00 -1.01 1.49 -1.61 0.00 0.00 178.31 178.13 1uwd h GLU 22 N 0.00 0.68 0.00 1.51 4.81 -1.98 -3.42 114.58 116.17 1uwd h GLU 22 Ca 0.04 -0.73 -0.41 0.00 -0.13 0.00 0.00 59.36 58.13 1uwd h GLU 22 Cb 0.49 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 1uwd h GLU 22 CO -0.00 1.31 -2.23 1.28 -0.73 0.00 0.00 179.01 178.64 1uwd n LEU 23 N -3.89 1.94 0.00 1.64 7.99 -0.43 -5.03 117.00 119.22 1uwd n LEU 23 Ca -0.11 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1uwd n LEU 23 Cb 0.87 -0.85 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1uwd n LEU 23 CO 0.55 0.49 0.00 0.61 -1.51 0.00 0.00 177.39 177.53 1uwd n GLY 24 N 1.30 0.77 3.10 -0.72 0.00 -0.25 -5.07 105.19 104.31 1uwd n GLY 24 Ca -0.49 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 2.40 0.65 0.99 2.34 -1.26 -5.02 118.68 118.78 1uwd s LEU 25 Ca 0.00 -0.81 -0.08 0.00 0.06 0.00 0.00 54.13 53.31 1uwd s LEU 25 Cb 0.00 -0.01 0.02 0.00 -0.56 0.00 0.00 46.19 45.64 1uwd s LEU 25 CO 0.00 -0.40 0.98 1.51 -1.06 0.00 0.00 176.35 177.38 1uwd s ASP 26 N -2.39 5.37 0.46 1.48 -4.77 -1.26 -3.60 116.67 111.96 1uwd s ASP 26 Ca 0.01 0.78 0.20 0.00 -3.30 0.00 0.00 52.55 50.24 1uwd s ASP 26 Cb -0.01 -1.64 1.11 0.00 -1.09 0.00 0.00 42.92 41.30 1uwd s ASP 26 CO -0.04 -1.26 1.97 -0.37 0.70 0.00 0.00 175.17 176.17 1uwd h VAL 27 N -0.41 0.89 0.03 2.11 -1.51 -1.77 0.06 116.25 115.64 1uwd h VAL 27 Ca -0.45 -0.79 -0.23 0.00 -1.23 0.00 0.00 66.70 64.00 1uwd h VAL 27 Cb 1.27 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1uwd h VAL 27 CO 0.62 0.20 -1.00 0.58 -1.23 0.00 0.00 177.57 176.74 1uwd h VAL 28 N 0.00 1.46 0.13 7.19 2.07 -1.91 -0.22 116.25 124.97 1uwd h VAL 28 Ca -0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 1uwd h VAL 28 Cb 0.44 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1uwd h VAL 28 CO 0.03 0.79 -0.06 0.28 0.02 0.00 0.00 177.57 178.62 1uwd h SER 29 N 0.16 -0.15 0.10 0.57 0.02 -1.72 -1.06 113.55 111.47 1uwd h SER 29 Ca -0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1uwd h SER 29 Cb 1.66 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1uwd h SER 29 CO 0.17 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 1uwd n LEU 30 N -5.11 0.00 -0.23 5.07 4.32 -0.07 -3.92 117.00 117.06 1uwd n LEU 30 Ca -0.08 0.19 -0.03 0.00 -0.02 0.00 0.00 56.01 56.07 1uwd n LEU 30 Cb 0.14 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1uwd n LEU 30 CO 0.34 -0.14 -0.03 0.61 -1.22 0.00 0.00 177.39 176.95 1uwd n GLY 31 N -0.54 0.34 0.49 -0.72 0.00 -0.18 -4.22 105.19 100.35 1uwd n GLY 31 Ca 0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.55 -8.63 0.99 3.38 -1.58 -3.43 115.31 104.48 1uwd h LEU 32 Ca -0.06 0.15 -0.80 0.00 0.09 0.00 0.00 57.88 57.26 1uwd h LEU 32 Cb 0.94 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1uwd h LEU 32 CO 0.09 -0.59 1.02 0.52 0.09 0.00 0.00 178.44 179.57 1uwd n VAL 33 N -5.49 0.07 0.00 1.22 0.31 -1.26 -4.63 118.33 108.55 1uwd n VAL 33 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1uwd n VAL 33 Cb 0.43 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 6.02 0.00 -2.32 3.52 4.01 0.01 -4.98 117.16 123.41 1uwd n TYR 34 Ca 0.40 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.82 1uwd n TYR 34 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.00 6.50 -0.14 7.72 2.15 -1.24 -4.88 116.67 125.78 1uwd s ASP 35 Ca 0.00 1.47 -0.04 0.00 0.43 0.00 0.00 52.55 54.41 1uwd s ASP 35 Cb 0.00 -2.47 0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1uwd s ASP 35 CO 0.00 -0.64 0.21 -0.63 -0.17 0.00 0.00 175.17 173.94 1uwd s ILE 36 N -2.74 -0.32 -0.03 4.11 1.01 -1.26 -1.01 121.20 120.95 1uwd s ILE 36 Ca 0.57 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.42 1uwd s ILE 36 Cb -0.10 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1uwd s ILE 36 CO 0.38 -0.00 -0.19 0.00 0.00 0.00 0.00 174.94 175.12 1uwd s GLN 37 N 2.34 1.74 -0.11 2.79 -2.07 0.07 -4.82 119.66 119.60 1uwd s GLN 37 Ca 0.04 -0.69 0.03 0.00 -1.82 0.00 0.00 55.36 52.92 1uwd s GLN 37 Cb -0.14 -1.60 0.01 0.00 -1.09 0.00 0.00 33.01 30.19 1uwd s GLN 37 CO -0.09 0.36 -0.20 0.42 -1.32 0.00 0.00 175.29 174.45 1uwd s ILE 38 N -0.26 1.85 0.77 3.63 1.09 -1.26 -0.48 121.20 126.54 1uwd s ILE 38 Ca 0.03 -0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 58.58 1uwd s ILE 38 Cb -0.09 -1.64 0.05 0.00 -1.06 0.00 0.00 42.46 39.72 1uwd s ILE 38 CO 0.01 0.51 1.11 -1.81 -0.10 0.00 0.00 174.94 174.66 1uwd s ASP 39 N 0.64 4.81 0.66 3.58 -0.00 -1.05 -4.93 116.67 120.38 1uwd s ASP 39 Ca -0.12 1.14 0.38 0.00 -0.00 0.00 0.00 52.55 53.94 1uwd s ASP 39 Cb -0.16 -1.86 2.07 0.00 -0.00 0.00 0.00 42.92 42.97 1uwd s ASP 39 CO 0.03 -1.75 2.18 -0.78 -0.00 0.00 0.00 175.17 174.86 1uwd h ASP 40 N -0.94 0.00 -0.35 0.27 1.82 -1.97 0.10 116.42 115.36 1uwd h ASP 40 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1uwd h ASP 40 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1uwd h ASP 40 CO 0.62 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.25 1uwd n GLN 41 N -3.08 2.79 -4.22 0.28 1.13 -1.26 -4.91 117.38 108.10 1uwd n GLN 41 Ca -0.02 -1.67 -0.36 0.00 -1.94 0.00 0.00 57.00 53.01 1uwd n GLN 41 Cb 0.21 -1.73 -0.06 0.00 0.11 0.00 0.00 30.24 28.76 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 0.46 -2.10 -4.55 1.08 3.02 0.36 -4.48 115.26 109.05 1uwd n ASN 42 Ca 0.15 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.34 1uwd n ASN 42 Cb 0.64 -1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 37.97 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 -3.09 5.94 -0.31 6.41 0.02 -1.25 -2.56 114.94 120.10 1uwd s ASN 43 Ca 0.71 -0.61 -0.29 0.00 -1.02 0.00 0.00 52.86 51.66 1uwd s ASN 43 Cb -0.41 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.30 1uwd s ASN 43 CO 0.88 -1.98 1.42 -0.69 0.02 0.00 0.00 177.10 176.74 1uwd s VAL 44 N 6.78 3.96 -0.05 1.60 1.01 -0.47 -2.53 120.40 130.70 1uwd s VAL 44 Ca 0.49 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1uwd s VAL 44 Cb -0.06 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1uwd s VAL 44 CO 0.07 -0.50 -0.23 -0.75 0.00 0.00 0.00 175.10 173.70 1uwd s LYS 45 N 4.51 2.45 -0.01 2.72 2.20 0.37 -0.66 119.74 131.32 1uwd s LYS 45 Ca 0.62 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 1uwd s LYS 45 Cb -0.18 -2.19 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1uwd s LYS 45 CO 0.27 0.47 -0.05 0.08 -0.36 0.00 0.00 175.35 175.76 1uwd s VAL 46 N -0.38 0.39 -1.10 4.02 1.01 -1.15 -0.75 120.40 122.44 1uwd s VAL 46 Ca 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1uwd s VAL 46 Cb -0.12 -0.34 0.29 0.00 0.00 0.00 0.00 36.38 36.21 1uwd s VAL 46 CO 0.02 0.12 1.44 -0.11 0.00 0.00 0.00 175.10 176.57 1uwd n LEU 47 N 3.01 6.26 -4.89 3.92 7.94 -0.18 -2.99 117.00 130.07 1uwd n LEU 47 Ca -0.13 -5.13 -0.34 0.00 -1.11 0.00 0.00 56.01 49.30 1uwd n LEU 47 Cb 0.58 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.15 1uwd n LEU 47 CO 0.25 1.59 -0.06 -0.32 -1.11 0.00 0.00 177.39 177.74 1uwd s MET 48 N -2.21 3.57 0.21 1.96 -2.45 -1.26 -0.81 119.30 118.30 1uwd s MET 48 Ca 0.32 -0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 1uwd s MET 48 Cb 0.02 -3.05 -0.05 0.00 1.25 0.00 0.00 34.83 33.01 1uwd s MET 48 CO 0.06 0.63 0.07 -0.08 1.05 0.00 0.00 175.02 176.75 1uwd s THR 49 N -1.36 0.45 0.68 10.11 -1.32 -1.26 -4.03 115.64 118.91 1uwd s THR 49 Ca 0.30 -1.98 -0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1uwd s THR 49 Cb -0.13 -2.40 0.08 0.00 -1.51 0.00 0.00 72.50 68.54 1uwd s THR 49 CO 0.18 -0.19 0.96 -0.04 -2.21 0.00 0.00 174.62 173.32 1uwd s MET 50 N -4.02 2.03 0.05 7.08 -1.94 -1.26 -4.78 119.30 116.45 1uwd s MET 50 Ca 0.33 -0.68 -0.27 0.00 -1.71 0.00 0.00 55.69 53.35 1uwd s MET 50 Cb 0.07 -2.29 -0.17 0.00 2.01 0.00 0.00 34.83 34.45 1uwd s MET 50 CO 0.09 -1.23 1.51 0.00 -0.01 0.00 0.00 175.02 175.38 1uwd h THR 51 N -0.45 0.66 -3.86 2.05 1.03 -2.00 -3.45 112.91 106.89 1uwd h THR 51 Ca -0.41 -0.24 -0.23 0.00 -0.01 0.00 0.00 66.41 65.51 1uwd h THR 51 Cb 1.29 0.79 -0.16 0.00 -1.07 0.00 0.00 68.15 69.00 1uwd h THR 51 CO 0.50 0.05 -0.70 0.42 -0.01 0.00 0.00 175.52 175.78 1uwd s THR 52 N -5.55 0.65 -1.39 0.00 -4.23 -1.26 -4.63 115.64 99.24 1uwd s THR 52 Ca -0.15 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1uwd s THR 52 Cb 0.04 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.40 1uwd s THR 52 CO 0.61 -0.79 0.56 -0.81 -0.54 0.00 0.00 174.62 173.65 1uwd n PRO 53 N 0.24 0.81 0.00 3.99 -0.04 -1.26 -4.24 135.00 134.50 1uwd n PRO 53 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1uwd n PRO 53 Cb 0.60 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1uwd n PRO 53 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1uwd n MET 54 N -0.13 0.00 -0.97 0.54 2.81 -1.26 -5.10 117.12 113.01 1uwd n MET 54 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1uwd n MET 54 Cb 0.12 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.60 1uwd n MET 54 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1uwd n PRO 56 N -3.08 0.63 -2.82 0.00 -0.04 -1.26 -4.58 135.00 123.85 1uwd n PRO 56 Ca -0.01 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1uwd n PRO 56 Cb 0.60 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1uwd n PRO 56 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1uwd n LEU 57 N -2.73 -1.82 -0.13 1.53 -0.00 -1.26 -5.06 117.00 107.52 1uwd n LEU 57 Ca -0.08 -3.91 -0.06 0.00 -0.00 0.00 0.00 56.01 51.95 1uwd n LEU 57 Cb 0.74 0.89 -0.00 0.00 -0.00 0.00 0.00 43.42 45.06 1uwd n LEU 57 CO 0.43 2.11 0.66 0.00 -0.00 0.00 0.00 177.39 180.59 1uwd h ALA 58 N 3.08 -0.06 -0.82 1.47 0.00 -1.81 -2.50 119.26 118.63 1uwd h ALA 58 Ca -0.07 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uwd h ALA 58 Cb 1.07 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 1uwd h ALA 58 CO 0.21 -0.66 0.53 0.78 0.00 0.00 0.00 179.25 180.11 1uwd h GLY 59 N -0.20 1.17 0.97 0.00 0.00 -1.97 -1.02 103.07 102.02 1uwd h GLY 59 Ca 0.19 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1uwd h GLY 59 CO -0.55 0.38 0.25 1.98 0.00 0.00 0.00 176.54 178.60 1uwd h MET 60 N 1.06 0.67 -0.74 4.80 -1.53 -1.89 -1.29 114.93 116.01 1uwd h MET 60 Ca 0.32 -0.09 -0.05 0.00 -3.44 0.00 0.00 59.70 56.44 1uwd h MET 60 Cb -0.06 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 1uwd h MET 60 CO -0.09 0.54 0.28 0.82 0.14 0.00 0.00 176.91 178.60 1uwd h ILE 61 N 0.63 1.25 -0.22 1.77 2.04 -0.95 0.91 117.51 122.94 1uwd h ILE 61 Ca 0.17 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1uwd h ILE 61 Cb 0.08 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1uwd h ILE 61 CO -0.02 0.33 0.14 -0.07 0.00 0.00 0.00 178.15 178.52 1uwd h LEU 62 N 1.08 0.27 -1.55 1.44 3.38 -0.73 -2.32 115.31 116.88 1uwd h LEU 62 Ca 0.25 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1uwd h LEU 62 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1uwd h LEU 62 CO -0.02 0.24 -0.23 0.28 0.09 0.00 0.00 178.44 178.80 1uwd h SER 63 N 0.28 0.00 -0.19 -0.43 0.02 -0.74 -2.41 113.55 110.07 1uwd h SER 63 Ca 0.08 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 1uwd h SER 63 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1uwd h SER 63 CO -0.02 0.23 -0.62 -0.78 -1.14 0.00 0.00 176.83 174.51 1uwd h ASP 64 N 0.00 0.88 0.03 3.07 3.58 -0.52 0.95 116.42 124.41 1uwd h ASP 64 Ca -0.00 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 56.85 1uwd h ASP 64 Cb 0.44 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1uwd h ASP 64 CO 0.03 1.32 -0.02 0.00 -2.88 0.00 0.00 179.24 177.69 1uwd h ALA 65 N 0.58 -0.04 -0.64 -0.78 0.00 -1.26 -2.25 119.26 114.87 1uwd h ALA 65 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1uwd h ALA 65 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1uwd h ALA 65 CO 0.13 -0.51 0.43 1.49 0.00 0.00 0.00 179.25 180.79 1uwd h GLU 66 N -0.07 0.44 0.12 0.00 4.81 -1.37 -1.59 114.58 116.93 1uwd h GLU 66 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1uwd h GLU 66 Cb 0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1uwd h GLU 66 CO 0.01 0.29 -0.09 1.49 -0.73 0.00 0.00 179.01 179.98 1uwd h GLU 67 N 0.45 -0.21 -0.71 1.92 4.57 -0.24 0.65 114.58 121.01 1uwd h GLU 67 Ca 0.30 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1uwd h GLU 67 Cb 0.56 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1uwd h GLU 67 CO -0.09 -0.14 0.33 0.00 -1.18 0.00 0.00 179.01 177.93 1uwd h ALA 68 N 0.65 0.92 -0.37 2.92 0.00 -0.87 -2.20 119.26 120.31 1uwd h ALA 68 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uwd h ALA 68 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1uwd h ALA 68 CO -0.01 0.50 0.20 0.82 0.00 0.00 0.00 179.25 180.76 1uwd h ILE 69 N 1.00 1.15 0.00 0.00 2.04 -1.08 -2.45 117.51 118.17 1uwd h ILE 69 Ca 0.24 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1uwd h ILE 69 Cb 0.14 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1uwd h ILE 69 CO -0.03 0.16 0.00 2.29 0.00 0.00 0.00 178.15 180.57 1uwd n LYS 70 N -4.74 0.34 -0.79 2.37 2.85 0.20 -3.11 118.16 115.28 1uwd n LYS 70 Ca -0.00 0.06 -0.01 0.00 -1.05 0.00 0.00 58.31 57.31 1uwd n LYS 70 Cb 0.09 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.25 1uwd n LYS 70 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1uwd n LYS 71 N -1.28 3.58 0.00 -1.58 4.76 -0.87 -4.35 118.16 118.43 1uwd n LYS 71 Ca 0.11 -2.49 0.13 0.00 -2.87 0.00 0.00 58.31 53.19 1uwd n LYS 71 Cb 0.19 -2.07 0.25 0.00 -1.84 0.00 0.00 35.03 31.55 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1uwd n ILE 72 N 0.16 0.00 -3.94 -0.18 5.41 -1.18 -5.00 119.36 114.63 1uwd n ILE 72 Ca 0.29 -0.36 -0.36 0.00 1.00 0.00 0.00 62.75 63.32 1uwd n ILE 72 Cb 1.12 1.06 0.01 0.00 -0.71 0.00 0.00 39.64 41.12 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 0.66 -1.23 0.00 0.38 2.13 -1.26 -4.50 120.64 116.82 1uwd n GLU 73 Ca 0.15 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1uwd n GLU 73 Cb 0.49 -3.57 0.00 0.00 0.27 0.00 0.00 31.44 28.62 1uwd n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uwd n GLY 74 N -1.98 0.25 2.75 8.31 0.00 -1.26 -5.05 105.19 108.20 1uwd n GLY 74 Ca -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 1.61 3.14 -1.26 -4.75 118.33 116.88 1uwd n VAL 75 Ca 0.00 -0.10 -0.06 0.00 -2.96 0.00 0.00 64.34 61.22 1uwd n VAL 75 Cb 0.00 -0.40 -0.01 0.00 -1.06 0.00 0.00 33.84 32.38 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1uwd h ASN 76 N 6.26 -1.22 -3.95 6.55 -1.24 -1.74 -3.44 115.58 116.81 1uwd h ASN 76 Ca 0.02 0.23 -0.37 0.00 0.71 0.00 0.00 56.30 56.89 1uwd h ASN 76 Cb 0.15 0.59 -0.14 0.00 0.73 0.00 0.00 38.32 39.64 1uwd h ASN 76 CO 0.41 -0.31 -0.66 0.21 -1.29 0.00 0.00 177.43 175.79 1uwd s ASN 77 N -5.15 1.76 -0.25 1.15 2.47 -1.15 -5.01 114.94 108.76 1uwd s ASN 77 Ca -0.14 -1.20 -0.04 0.00 0.42 0.00 0.00 52.86 51.89 1uwd s ASN 77 Cb 0.15 0.02 0.09 0.00 -1.45 0.00 0.00 41.25 40.06 1uwd s ASN 77 CO 0.68 -0.51 0.13 -0.69 -3.72 0.00 0.00 177.10 172.99 1uwd s VAL 78 N -3.44 -0.10 -0.85 -5.21 1.01 -1.26 -1.37 120.40 109.18 1uwd s VAL 78 Ca 0.27 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1uwd s VAL 78 Cb 0.06 -0.85 0.31 0.00 0.00 0.00 0.00 36.38 35.90 1uwd s VAL 78 CO 0.08 -0.57 1.32 -0.62 0.00 0.00 0.00 175.10 175.32 1uwd n GLU 79 N 5.26 4.13 -2.55 2.72 -0.58 0.17 -4.99 120.64 124.80 1uwd n GLU 79 Ca -0.06 -4.70 -0.41 0.00 -0.42 0.00 0.00 57.16 51.57 1uwd n GLU 79 Cb 0.45 -2.38 -0.03 0.00 -0.57 0.00 0.00 31.44 28.91 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 -3.71 3.74 0.66 2.62 1.01 -1.26 -2.92 120.40 120.54 1uwd s VAL 80 Ca 0.40 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1uwd s VAL 80 Cb 0.18 -4.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 1uwd s VAL 80 CO -0.06 -1.86 1.05 -1.61 0.00 0.00 0.00 175.10 172.62 1uwd s GLU 81 N 5.66 3.26 -0.45 2.72 2.02 -1.16 -5.03 118.70 125.72 1uwd s GLU 81 Ca 0.37 0.77 0.03 0.00 0.02 0.00 0.00 54.97 56.15 1uwd s GLU 81 Cb -0.07 -2.04 0.15 0.00 0.10 0.00 0.00 34.13 32.27 1uwd s GLU 81 CO 0.12 -0.82 0.30 -1.17 0.02 0.00 0.00 175.26 173.70 1uwd s LEU 82 N -5.33 2.26 -0.89 1.80 2.96 -1.26 -4.22 118.68 114.00 1uwd s LEU 82 Ca 0.56 -2.83 -0.22 0.00 -0.22 0.00 0.00 54.13 51.42 1uwd s LEU 82 Cb -0.12 -0.81 0.08 0.00 0.50 0.00 0.00 46.19 45.84 1uwd s LEU 82 CO 0.54 -0.22 1.22 -0.89 -1.32 0.00 0.00 176.35 175.68 1uwd s THR 83 N 0.16 4.27 -1.00 3.68 2.01 -1.26 -4.84 115.64 118.67 1uwd s THR 83 Ca 0.23 -0.86 0.23 0.00 0.31 0.00 0.00 61.69 61.61 1uwd s THR 83 Cb -0.13 -4.87 -0.10 0.00 0.01 0.00 0.00 72.50 67.41 1uwd s THR 83 CO -0.08 -1.68 1.18 0.49 -0.69 0.00 0.00 174.62 173.84 1uwd n PHE 84 N 7.86 0.00 0.14 4.92 3.72 -1.26 -4.45 117.46 128.39 1uwd n PHE 84 Ca 0.19 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.46 1uwd n PHE 84 Cb 0.49 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.01 -0.85 -4.23 4.37 3.45 -2.01 -3.45 116.42 113.70 1uwd h ASP 85 Ca 0.00 0.09 -0.50 0.00 0.43 0.00 0.00 57.03 57.05 1uwd h ASP 85 Cb 0.50 0.31 0.04 0.00 -0.56 0.00 0.00 39.33 39.62 1uwd h ASP 85 CO 0.00 -0.41 0.38 -2.16 -1.57 0.00 0.00 179.24 175.48 1uwd s PRO 86 N -6.03 3.71 -0.50 3.56 0.04 -1.26 -5.00 135.00 129.52 1uwd s PRO 86 Ca -0.16 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 1uwd s PRO 86 Cb 0.07 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1uwd s PRO 86 CO 0.64 -0.44 1.17 -1.25 0.04 0.00 0.00 177.00 177.16 1uwd s PRO 87 N -4.76 3.66 0.00 0.56 0.04 -1.26 -4.98 135.00 128.25 1uwd s PRO 87 Ca 0.56 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1uwd s PRO 87 Cb -0.11 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1uwd s PRO 87 CO 0.46 -1.47 0.04 1.87 0.04 0.00 0.00 177.00 177.94 1uwd n TRP 88 N 8.05 0.00 0.00 0.56 -0.00 -1.26 -4.99 117.44 119.80 1uwd n TRP 88 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 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 -0.08 0.00 0.32 5.87 -1.04 -1.26 -5.04 114.28 113.05 1uwd n THR 89 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1uwd n THR 89 Cb 0.00 0.00 1.08 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.03 -2.82 0.13 -1.96 -2.09 132.00 125.23 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 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1uwd n GLU 91 N -3.02 1.44 0.22 0.86 0.28 -1.26 -3.85 120.64 115.31 1uwd n GLU 91 Ca -0.02 -0.64 0.07 0.00 -0.16 0.00 0.00 57.16 56.41 1uwd n GLU 91 Cb 0.11 -1.46 0.60 0.00 1.43 0.00 0.00 31.44 32.12 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 1.49 0.08 -7.20 3.44 2.47 -1.65 -3.45 114.38 109.56 1uwd h ARG 92 Ca 0.00 -0.01 -0.44 0.00 -1.26 0.00 0.00 59.98 58.27 1uwd h ARG 92 Cb 0.32 -0.02 0.20 0.00 -1.65 0.00 0.00 29.97 28.82 1uwd h ARG 92 CO 0.00 0.07 0.06 -1.64 0.56 0.00 0.00 179.97 179.01 1uwd s MET 93 N -5.09 -0.63 0.44 0.04 -1.94 -1.25 -4.26 119.30 106.61 1uwd s MET 93 Ca -0.05 0.73 -0.24 0.00 -1.71 0.00 0.00 55.69 54.42 1uwd s MET 93 Cb 0.17 -1.60 -0.10 0.00 2.01 0.00 0.00 34.83 35.32 1uwd s MET 93 CO 0.68 -3.50 1.12 0.43 -0.01 0.00 0.00 175.02 173.74 1uwd n SER 94 N -4.75 1.76 0.21 3.03 7.64 -1.26 -4.89 113.62 115.37 1uwd n SER 94 Ca 0.03 1.04 0.05 0.00 1.01 0.00 0.00 58.87 61.01 1uwd n SER 94 Cb 0.55 -1.42 0.47 0.00 -1.01 0.00 0.00 64.21 62.81 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 1.65 0.00 -0.46 1.43 0.13 -1.93 -0.40 132.00 132.42 1uwd h PRO 95 Ca -0.46 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1uwd h PRO 95 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1uwd h PRO 95 CO 0.57 0.24 0.35 0.93 -0.23 0.00 0.00 178.00 179.86 1uwd h GLU 96 N 0.00 0.00 0.00 0.86 4.39 -2.00 -1.52 114.58 116.31 1uwd h GLU 96 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uwd h GLU 96 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1uwd h GLU 96 CO 0.03 0.00 -1.17 1.28 -1.16 0.00 0.00 179.01 177.99 1uwd n LEU 97 N -4.27 0.58 -0.11 1.33 4.77 -0.17 -1.38 117.00 117.75 1uwd n LEU 97 Ca 0.08 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1uwd n LEU 97 Cb 0.56 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1uwd n LEU 97 CO 0.35 -0.04 0.55 0.03 -1.33 0.00 0.00 177.39 176.95 1uwd h ARG 98 N 0.00 0.91 0.01 3.23 3.08 -1.17 0.34 114.38 120.78 1uwd h ARG 98 Ca 0.00 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1uwd h ARG 98 Cb 0.86 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1uwd h ARG 98 CO 0.00 1.13 -0.01 0.93 -1.07 0.00 0.00 179.97 180.95 1uwd h GLU 99 N 0.74 -0.02 0.60 0.04 4.39 -1.49 -1.23 114.58 117.62 1uwd h GLU 99 Ca 0.06 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1uwd h GLU 99 Cb 0.98 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1uwd h GLU 99 CO 0.09 0.07 -0.29 -0.22 -1.16 0.00 0.00 179.01 177.51 1uwd h LYS 100 N -0.10 -0.78 -0.50 2.33 3.64 -1.12 -3.28 116.57 116.76 1uwd h LYS 100 Ca -0.00 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1uwd h LYS 100 Cb 0.10 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1uwd h LYS 100 CO 0.00 -0.52 -0.09 0.74 -2.27 0.00 0.00 179.45 177.31 1uwd h PHE 101 N -0.85 1.00 -0.79 1.91 -1.00 -1.05 -3.48 116.94 112.68 1uwd h PHE 101 Ca -0.08 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1uwd h PHE 101 Cb 0.62 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1uwd h PHE 101 CO 0.08 0.94 0.00 0.41 -1.61 0.00 0.00 178.31 178.13 1uwd n GLY 102 N -0.39 -0.17 0.37 -1.45 0.00 -0.56 -5.08 105.19 97.91 1uwd n GLY 102 Ca 0.02 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.53 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70