#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 0.00 -1.78 6.12 7.64 -1.26 -0.07 113.62 124.27 1uwd n SER 3 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1uwd n SER 3 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1uwd n SER 3 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1uwd n LYS 4 N 0.00 0.60 -4.35 1.43 2.85 -1.26 -5.06 118.16 112.38 1uwd n LYS 4 Ca 0.00 -1.51 -0.21 0.00 -1.05 0.00 0.00 58.31 55.54 1uwd n LYS 4 Cb 0.00 0.16 -0.13 0.00 -0.65 0.00 0.00 35.03 34.41 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 -0.39 0.99 0.10 -1.58 2.20 0.90 -4.70 119.74 117.26 1uwd s LYS 5 Ca 0.11 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1uwd s LYS 5 Cb 0.23 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.47 1uwd s LYS 5 CO -0.07 0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 175.15 1uwd s VAL 6 N -0.97 1.02 0.24 4.02 1.01 -1.26 -1.58 120.40 122.87 1uwd s VAL 6 Ca 0.02 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1uwd s VAL 6 Cb -0.09 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1uwd s VAL 6 CO 0.02 -0.55 0.12 0.42 0.00 0.00 0.00 175.10 175.11 1uwd s THR 7 N -2.46 0.26 0.51 3.92 -4.23 -1.26 -4.88 115.64 107.49 1uwd s THR 7 Ca 0.07 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1uwd s THR 7 Cb -0.03 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.52 1uwd s THR 7 CO 0.01 0.00 2.14 0.07 -0.54 0.00 0.00 174.62 176.29 1uwd h LYS 8 N 2.47 0.00 -0.91 3.99 2.10 -1.95 -0.78 116.57 121.49 1uwd h LYS 8 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1uwd h LYS 8 Cb 1.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.54 1uwd h LYS 8 CO 0.56 0.04 0.52 1.49 -2.00 0.00 0.00 179.45 180.05 1uwd h GLU 9 N 0.00 1.26 -0.05 0.07 4.81 -1.98 0.21 114.58 118.89 1uwd h GLU 9 Ca -0.00 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1uwd h GLU 9 Cb 0.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1uwd h GLU 9 CO 0.00 0.90 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.46 1uwd h ASP 10 N 1.27 0.34 0.08 1.04 5.19 -1.65 -2.83 116.42 119.84 1uwd h ASP 10 Ca 0.32 -0.67 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1uwd h ASP 10 Cb -0.01 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 1uwd h ASP 10 CO -0.06 0.95 -0.07 0.58 -3.12 0.00 0.00 179.24 177.53 1uwd h VAL 11 N -0.26 0.95 -0.04 -1.35 2.07 -0.80 -0.32 116.25 116.51 1uwd h VAL 11 Ca -0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1uwd h VAL 11 Cb 0.95 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1uwd h VAL 11 CO 0.06 0.06 -0.06 -0.07 0.02 0.00 0.00 177.57 177.58 1uwd h LEU 12 N 0.00 0.12 -1.52 2.57 3.38 -0.60 -0.49 115.31 118.77 1uwd h LEU 12 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1uwd h LEU 12 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uwd h LEU 12 CO 0.01 0.65 0.00 0.78 0.09 0.00 0.00 178.44 179.96 1uwd h ASN 13 N -0.41 0.00 0.00 -0.43 2.35 -1.07 -1.60 115.58 114.42 1uwd h ASN 13 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1uwd h ASN 13 Cb 0.62 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1uwd h ASN 13 CO 0.01 0.00 -1.88 0.00 -1.65 0.00 0.00 177.43 173.91 1uwd n ALA 14 N -1.89 2.03 0.19 -0.83 0.00 -0.21 -4.28 120.51 115.51 1uwd n ALA 14 Ca -0.00 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.78 1uwd n ALA 14 Cb 0.15 -0.26 0.29 0.00 0.00 0.00 0.00 19.45 19.63 1uwd n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uwd h LEU 15 N 0.00 0.00 0.00 0.00 3.38 -0.86 -3.31 115.31 114.52 1uwd h LEU 15 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1uwd h LEU 15 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1uwd h LEU 15 CO 0.01 0.34 0.00 0.29 0.09 0.00 0.00 178.44 179.17 1uwd n LYS 16 N -3.36 0.00 -0.60 1.13 5.02 -0.62 -1.67 118.16 118.06 1uwd n LYS 16 Ca 0.01 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1uwd n LYS 16 Cb 0.54 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.63 0.28 -3.87 4.39 3.02 -1.25 -4.92 115.26 112.29 1uwd n ASN 17 Ca 0.00 -2.08 -0.30 0.00 -0.03 0.00 0.00 54.58 52.17 1uwd n ASN 17 Cb 0.00 -0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.20 2.13 -0.08 2.41 1.01 -0.67 -5.08 120.40 119.92 1uwd s VAL 18 Ca 0.06 -2.97 -0.30 0.00 0.00 0.00 0.00 61.98 58.77 1uwd s VAL 18 Cb 0.07 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1uwd s VAL 18 CO -0.02 -0.82 1.01 -0.63 0.00 0.00 0.00 175.10 174.64 1uwd s ILE 19 N 0.02 4.78 -0.73 2.22 -1.09 -1.26 -3.28 121.20 121.86 1uwd s ILE 19 Ca 0.17 2.03 -0.26 0.00 -2.23 0.00 0.00 60.65 60.36 1uwd s ILE 19 Cb -0.25 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1uwd s ILE 19 CO -0.01 0.03 1.58 -1.81 -1.23 0.00 0.00 174.94 173.51 1uwd s ASP 20 N 1.09 5.75 0.59 3.58 -0.00 -0.39 -4.88 116.67 122.41 1uwd s ASP 20 Ca 0.49 -0.25 0.29 0.00 -0.00 0.00 0.00 52.55 53.08 1uwd s ASP 20 Cb -0.19 -2.55 1.51 0.00 -0.00 0.00 0.00 42.92 41.70 1uwd s ASP 20 CO 0.20 -2.10 1.94 -0.26 -0.00 0.00 0.00 175.17 174.95 1uwd h PHE 21 N 12.09 0.00 -0.52 4.23 0.04 -1.94 0.25 116.94 131.09 1uwd h PHE 21 Ca -0.20 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 1uwd h PHE 21 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 1uwd h PHE 21 CO 1.12 0.00 0.12 1.49 -0.60 0.00 0.00 178.31 180.44 1uwd h GLU 22 N 0.00 0.80 0.00 1.51 4.57 -1.96 -3.35 114.58 116.15 1uwd h GLU 22 Ca 0.18 -0.16 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 1uwd h GLU 22 Cb 1.02 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1uwd h GLU 22 CO -0.00 0.72 -1.57 1.28 -1.18 0.00 0.00 179.01 178.26 1uwd n LEU 23 N -4.28 1.93 0.00 1.64 7.99 0.11 -5.04 117.00 119.35 1uwd n LEU 23 Ca 0.04 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 1uwd n LEU 23 Cb 0.22 -0.80 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1uwd n LEU 23 CO 0.40 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 1uwd n GLY 24 N 1.39 1.15 3.49 -0.72 0.00 0.63 -5.06 105.19 106.08 1uwd n GLY 24 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 2.11 0.28 0.99 1.98 -1.26 -4.90 118.68 117.88 1uwd s LEU 25 Ca 0.00 -1.51 -0.12 0.00 -2.89 0.00 0.00 54.13 49.61 1uwd s LEU 25 Cb 0.00 -0.30 -0.08 0.00 0.66 0.00 0.00 46.19 46.47 1uwd s LEU 25 CO 0.00 -0.75 0.64 1.51 -1.89 0.00 0.00 176.35 175.86 1uwd s ASP 26 N -3.56 6.68 0.25 3.68 1.47 -1.26 -1.26 116.67 122.67 1uwd s ASP 26 Ca 0.30 1.08 -0.03 0.00 1.18 0.00 0.00 52.55 55.07 1uwd s ASP 26 Cb 0.06 -2.29 0.47 0.00 -0.34 0.00 0.00 42.92 40.82 1uwd s ASP 26 CO 0.14 -0.14 1.75 -0.37 0.68 0.00 0.00 175.17 177.23 1uwd h VAL 27 N 1.95 0.70 -0.68 2.11 -1.51 -1.78 -0.46 116.25 116.58 1uwd h VAL 27 Ca -0.47 -0.18 -0.04 0.00 -1.23 0.00 0.00 66.70 64.78 1uwd h VAL 27 Cb 1.17 0.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.44 1uwd h VAL 27 CO 0.67 0.09 0.26 0.58 -1.23 0.00 0.00 177.57 177.95 1uwd h VAL 28 N 0.52 1.24 -0.38 7.19 2.07 -1.83 0.06 116.25 125.12 1uwd h VAL 28 Ca 0.42 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1uwd h VAL 28 Cb 0.61 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1uwd h VAL 28 CO -0.38 0.31 0.20 -1.28 0.02 0.00 0.00 177.57 176.44 1uwd h SER 29 N 0.97 0.30 0.35 0.57 0.87 -1.55 -1.58 113.55 113.47 1uwd h SER 29 Ca 0.23 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1uwd h SER 29 Cb 0.22 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1uwd h SER 29 CO -0.02 0.22 0.00 0.18 -0.53 0.00 0.00 176.83 176.68 1uwd n LEU 30 N -4.92 0.00 -2.00 2.23 4.77 -0.32 -3.64 117.00 113.12 1uwd n LEU 30 Ca 0.01 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1uwd n LEU 30 Cb 0.08 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1uwd n LEU 30 CO 0.31 -0.15 -0.23 0.61 -1.33 0.00 0.00 177.39 176.61 1uwd n GLY 31 N 0.11 0.68 3.56 -0.72 0.00 -0.19 -3.96 105.19 104.67 1uwd n GLY 31 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1uwd n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwd s LEU 32 N -5.35 3.27 0.00 0.99 1.43 -0.17 -4.77 118.68 114.09 1uwd s LEU 32 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1uwd s LEU 32 Cb 0.00 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1uwd s LEU 32 CO 0.00 -2.11 0.00 0.52 0.23 0.00 0.00 176.35 174.99 1uwd n VAL 33 N 6.93 0.00 -0.02 -1.59 0.31 -1.26 -4.37 118.33 118.33 1uwd n VAL 33 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.44 1uwd n VAL 33 Cb 0.51 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.42 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 -0.32 0.00 -4.09 3.52 4.01 0.27 -4.99 117.16 115.55 1uwd n TYR 34 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1uwd n TYR 34 Cb 0.00 -0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 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 -5.31 0.63 -0.25 7.72 -1.08 -1.18 -4.99 116.67 112.21 1uwd s ASP 35 Ca -0.05 -0.92 -0.02 0.00 -0.52 0.00 0.00 52.55 51.04 1uwd s ASP 35 Cb 0.02 0.16 0.12 0.00 -1.46 0.00 0.00 42.92 41.75 1uwd s ASP 35 CO 0.06 -0.51 0.27 -0.63 0.52 0.00 0.00 175.17 174.87 1uwd s ILE 36 N -3.44 -0.38 -0.06 4.11 1.01 -1.26 -1.43 121.20 119.74 1uwd s ILE 36 Ca 0.05 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1uwd s ILE 36 Cb 0.04 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1uwd s ILE 36 CO -0.07 -0.33 -0.17 0.00 0.00 0.00 0.00 174.94 174.37 1uwd s GLN 37 N 2.36 2.59 -0.28 2.79 -2.07 -0.38 -4.86 119.66 119.81 1uwd s GLN 37 Ca 0.09 -0.74 0.01 0.00 -1.82 0.00 0.00 55.36 52.89 1uwd s GLN 37 Cb -0.15 -2.35 0.08 0.00 -1.09 0.00 0.00 33.01 29.50 1uwd s GLN 37 CO -0.23 0.53 0.02 0.42 -1.32 0.00 0.00 175.29 174.71 1uwd s ILE 38 N -0.50 1.49 1.01 3.63 1.09 -1.26 -0.54 121.20 126.12 1uwd s ILE 38 Ca 0.07 -1.52 -0.12 0.00 -1.10 0.00 0.00 60.65 57.98 1uwd s ILE 38 Cb -0.12 -1.94 0.20 0.00 -1.06 0.00 0.00 42.46 39.54 1uwd s ILE 38 CO 0.01 -0.39 1.08 -0.62 -0.10 0.00 0.00 174.94 174.93 1uwd s ASP 39 N 1.36 2.38 0.43 3.58 3.68 -1.16 -4.87 116.67 122.06 1uwd s ASP 39 Ca 0.03 1.50 0.12 0.00 2.13 0.00 0.00 52.55 56.33 1uwd s ASP 39 Cb -0.18 -2.18 0.98 0.00 -1.45 0.00 0.00 42.92 40.09 1uwd s ASP 39 CO -0.12 -3.33 1.99 0.44 0.13 0.00 0.00 175.17 174.28 1uwd h ASP 40 N -2.02 0.40 0.00 -0.34 5.19 -1.97 0.36 116.42 118.04 1uwd h ASP 40 Ca -0.54 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1uwd h ASP 40 Cb 1.31 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1uwd h ASP 40 CO 0.52 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.90 1uwd n GLN 41 N -4.47 0.97 -4.13 3.56 1.13 -1.26 -4.83 117.38 108.35 1uwd n GLN 41 Ca 0.09 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.85 1uwd n GLN 41 Cb 0.31 -1.32 -0.04 0.00 0.11 0.00 0.00 30.24 29.30 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 -0.16 -0.77 -4.57 1.08 3.02 0.11 -4.12 115.26 109.85 1uwd n ASN 42 Ca 0.00 -1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 53.25 1uwd n ASN 42 Cb 0.16 -2.57 -0.07 0.00 -0.61 0.00 0.00 39.78 36.69 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 -4.07 4.44 -0.46 6.41 0.02 -1.21 -2.92 114.94 117.15 1uwd s ASN 43 Ca 0.21 -0.88 -0.28 0.00 -1.02 0.00 0.00 52.86 50.88 1uwd s ASN 43 Cb -0.12 -2.58 0.01 0.00 0.02 0.00 0.00 41.25 38.59 1uwd s ASN 43 CO 0.93 -3.56 1.42 -0.69 0.02 0.00 0.00 177.10 175.22 1uwd s VAL 44 N 13.00 3.85 -0.27 1.60 1.01 -0.89 -2.98 120.40 135.72 1uwd s VAL 44 Ca 0.77 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.59 1uwd s VAL 44 Cb -0.06 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1uwd s VAL 44 CO 0.10 -0.88 -0.07 -0.75 0.00 0.00 0.00 175.10 173.50 1uwd s LYS 45 N 5.16 2.35 -0.16 2.72 2.20 0.30 -0.75 119.74 131.55 1uwd s LYS 45 Ca 0.59 -1.29 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1uwd s LYS 45 Cb -0.13 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1uwd s LYS 45 CO 0.30 -0.58 -0.20 0.08 -0.36 0.00 0.00 175.35 174.60 1uwd s VAL 46 N 1.17 2.01 -1.06 4.02 1.01 -0.26 -1.25 120.40 126.04 1uwd s VAL 46 Ca -0.07 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 1uwd s VAL 46 Cb -0.20 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.43 1uwd s VAL 46 CO -0.04 0.53 1.52 -0.22 0.00 0.00 0.00 175.10 176.90 1uwd s LEU 47 N 1.14 3.54 0.58 3.92 2.96 -0.52 -0.72 118.68 129.59 1uwd s LEU 47 Ca 0.01 -1.59 0.09 0.00 -0.22 0.00 0.00 54.13 52.42 1uwd s LEU 47 Cb -0.14 -2.57 0.09 0.00 0.50 0.00 0.00 46.19 44.07 1uwd s LEU 47 CO -0.09 -1.52 0.74 -0.32 -1.32 0.00 0.00 176.35 173.84 1uwd s MET 48 N 4.96 2.25 0.31 1.98 1.75 -0.89 -0.57 119.30 129.09 1uwd s MET 48 Ca 0.49 -1.76 -0.18 0.00 -1.25 0.00 0.00 55.69 52.98 1uwd s MET 48 Cb 0.00 -2.53 0.06 0.00 2.84 0.00 0.00 34.83 35.21 1uwd s MET 48 CO -0.06 -0.88 0.87 -0.08 -0.65 0.00 0.00 175.02 174.22 1uwd s THR 49 N -2.72 0.00 0.21 10.11 -1.32 -1.26 -1.75 115.64 118.91 1uwd s THR 49 Ca 0.57 -0.86 0.11 0.00 -1.21 0.00 0.00 61.69 60.30 1uwd s THR 49 Cb -0.05 -2.82 -0.05 0.00 -1.51 0.00 0.00 72.50 68.08 1uwd s THR 49 CO 0.36 0.00 -0.23 -0.32 -2.21 0.00 0.00 174.62 172.22 1uwd s MET 50 N -2.36 1.55 0.17 7.08 1.75 -1.26 -4.78 119.30 121.45 1uwd s MET 50 Ca 0.17 -1.57 -0.14 0.00 -1.25 0.00 0.00 55.69 52.90 1uwd s MET 50 Cb -0.04 -1.82 0.14 0.00 2.84 0.00 0.00 34.83 35.94 1uwd s MET 50 CO 0.09 0.38 1.74 1.15 -0.65 0.00 0.00 175.02 177.73 1uwd h THR 51 N 3.02 0.83 -3.72 10.11 2.02 -1.99 -3.45 112.91 119.72 1uwd h THR 51 Ca -0.45 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 1uwd h THR 51 Cb 1.22 0.50 -0.18 0.00 -1.74 0.00 0.00 68.15 67.96 1uwd h THR 51 CO 0.50 0.05 -0.48 0.42 0.37 0.00 0.00 175.52 176.39 1uwd s THR 52 N -6.14 0.12 0.48 3.16 -4.23 -1.26 -4.85 115.64 102.92 1uwd s THR 52 Ca -0.13 -1.03 0.40 0.00 -1.18 0.00 0.00 61.69 59.75 1uwd s THR 52 Cb 0.14 -0.90 0.42 0.00 1.34 0.00 0.00 72.50 73.50 1uwd s THR 52 CO 0.72 -0.57 2.24 -0.65 -0.54 0.00 0.00 174.62 175.82 1uwd h PRO 53 N 3.60 0.00 -0.85 3.99 0.11 -1.99 -3.25 132.00 133.61 1uwd h PRO 53 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1uwd h PRO 53 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1uwd h PRO 53 CO 0.50 0.01 0.00 -1.33 -0.21 0.00 0.00 178.00 176.97 1uwd n MET 54 N -3.16 1.53 -2.14 1.05 2.81 -1.26 -4.84 117.12 111.11 1uwd n MET 54 Ca -0.02 -0.44 -0.36 0.00 -1.81 0.00 0.00 57.70 55.07 1uwd n MET 54 Cb 0.15 -1.56 0.02 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.42 0.00 -0.99 0.00 -0.04 -1.26 -4.12 135.00 127.16 1uwd n PRO 56 Ca 0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1uwd n PRO 56 Cb 0.50 -0.38 -0.12 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.29 5.47 -0.22 1.53 -0.00 -1.26 -4.73 117.00 117.50 1uwd n LEU 57 Ca 0.00 -3.20 0.02 0.00 -0.00 0.00 0.00 56.01 52.83 1uwd n LEU 57 Cb 0.00 -1.34 0.12 0.00 -0.00 0.00 0.00 43.42 42.20 1uwd n LEU 57 CO 0.00 1.59 0.84 0.00 -0.00 0.00 0.00 177.39 179.82 1uwd h ALA 58 N 2.66 0.67 -0.81 1.47 0.00 -1.95 -0.68 119.26 120.63 1uwd h ALA 58 Ca 0.19 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.46 1uwd h ALA 58 Cb 1.31 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 19.28 1uwd h ALA 58 CO 0.31 -0.39 -0.23 0.78 0.00 0.00 0.00 179.25 179.71 1uwd h GLY 59 N 0.13 0.47 1.04 0.00 0.00 -1.94 0.08 103.07 102.86 1uwd h GLY 59 Ca 0.35 0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.92 1uwd h GLY 59 CO -0.55 -0.29 0.16 -0.33 0.00 0.00 0.00 176.54 175.53 1uwd h MET 60 N -0.02 1.04 -0.26 4.80 2.07 -1.53 0.70 114.93 121.74 1uwd h MET 60 Ca 0.37 -0.25 -0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1uwd h MET 60 Cb 0.59 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 1uwd h MET 60 CO -0.84 0.94 0.16 0.82 1.07 0.00 0.00 176.91 179.06 1uwd h ILE 61 N 0.97 1.10 -0.64 -1.22 2.04 -0.88 0.13 117.51 119.00 1uwd h ILE 61 Ca 0.20 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1uwd h ILE 61 Cb 0.36 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1uwd h ILE 61 CO 0.00 0.09 0.42 -0.07 0.00 0.00 0.00 178.15 178.60 1uwd h LEU 62 N 0.33 0.73 -0.62 1.44 3.38 -0.76 -2.12 115.31 117.69 1uwd h LEU 62 Ca 0.09 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1uwd h LEU 62 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1uwd h LEU 62 CO -0.02 0.53 0.39 -1.28 0.09 0.00 0.00 178.44 178.15 1uwd h SER 63 N 0.87 0.64 -0.67 -0.43 0.87 -0.56 -2.18 113.55 112.08 1uwd h SER 63 Ca 0.23 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 1uwd h SER 63 Cb -0.10 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 1uwd h SER 63 CO -0.05 0.45 0.21 -0.78 -0.53 0.00 0.00 176.83 176.13 1uwd h ASP 64 N 0.77 1.00 0.46 6.23 1.82 -0.35 0.59 116.42 126.93 1uwd h ASP 64 Ca 0.25 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1uwd h ASP 64 Cb 0.00 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.76 1uwd h ASP 64 CO -0.09 0.93 -0.23 0.00 -1.61 0.00 0.00 179.24 178.24 1uwd h ALA 65 N 1.20 -0.62 -0.34 -0.78 0.00 -1.12 0.59 119.26 118.18 1uwd h ALA 65 Ca 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1uwd h ALA 65 Cb 0.30 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1uwd h ALA 65 CO -0.01 -0.85 0.16 1.49 0.00 0.00 0.00 179.25 180.04 1uwd h GLU 66 N -0.63 0.33 -0.29 0.00 4.81 -1.16 0.27 114.58 117.91 1uwd h GLU 66 Ca -0.06 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1uwd h GLU 66 Cb 0.48 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1uwd h GLU 66 CO 0.10 0.22 0.26 1.49 -0.73 0.00 0.00 179.01 180.35 1uwd h GLU 67 N 0.34 0.00 0.07 1.92 4.81 -0.70 -1.40 114.58 119.62 1uwd h GLU 67 Ca 0.14 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.01 1uwd h GLU 67 Cb 0.06 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1uwd h GLU 67 CO -0.11 0.00 -2.08 0.00 -0.73 0.00 0.00 179.01 176.09 1uwd n ALA 68 N -2.45 1.04 0.05 2.92 0.00 0.18 -3.90 120.51 118.37 1uwd n ALA 68 Ca 0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 1uwd n ALA 68 Cb 0.42 -0.46 0.26 0.00 0.00 0.00 0.00 19.45 19.66 1uwd n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1uwd h ILE 69 N -0.13 1.25 0.00 0.00 2.04 -0.79 -1.92 117.51 117.95 1uwd h ILE 69 Ca -0.48 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1uwd h ILE 69 Cb 1.89 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1uwd h ILE 69 CO -0.02 0.37 0.00 2.29 0.00 0.00 0.00 178.15 180.78 1uwd n LYS 70 N -4.15 0.14 -0.01 2.37 2.85 -0.54 -3.19 118.16 115.63 1uwd n LYS 70 Ca -0.00 0.12 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 1uwd n LYS 70 Cb 0.38 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.52 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 -1.40 1.04 -0.74 -1.58 4.76 -0.72 -4.07 118.16 115.46 1uwd n LYS 71 Ca 0.07 -0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1uwd n LYS 71 Cb 0.21 -1.15 0.22 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.57 2.22 -4.40 -0.18 5.41 -1.19 -4.92 119.36 115.71 1uwd n ILE 72 Ca 0.07 -1.15 -0.37 0.00 1.00 0.00 0.00 62.75 62.30 1uwd n ILE 72 Cb 0.05 -0.46 -0.09 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.02 -0.81 0.00 0.38 0.28 -1.26 -4.37 120.64 114.84 1uwd n GLU 73 Ca 0.29 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1uwd n GLU 73 Cb 1.10 -4.16 0.00 0.00 1.43 0.00 0.00 31.44 29.81 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 -1.68 0.16 3.25 -1.84 0.00 -1.26 -4.62 105.19 99.21 1uwd n GLY 74 Ca -0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.97 0.00 -0.36 1.61 0.31 -1.26 -4.56 118.33 113.11 1uwd n VAL 75 Ca 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1uwd n VAL 75 Cb 0.00 -1.73 0.04 0.00 -0.91 0.00 0.00 33.84 31.24 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 8.99 -1.36 -3.99 4.52 -1.24 -1.68 -3.41 115.58 117.40 1uwd h ASN 76 Ca 0.13 0.30 -0.36 0.00 0.71 0.00 0.00 56.30 57.08 1uwd h ASN 76 Cb 0.36 0.72 -0.16 0.00 0.73 0.00 0.00 38.32 39.97 1uwd h ASN 76 CO 1.52 -0.29 -0.73 0.54 -1.29 0.00 0.00 177.43 177.18 1uwd s ASN 77 N -5.33 1.86 -0.55 1.15 4.22 -1.25 -5.07 114.94 109.97 1uwd s ASN 77 Ca -0.14 -0.93 0.05 0.00 -2.14 0.00 0.00 52.86 49.70 1uwd s ASN 77 Cb 0.20 -0.03 0.18 0.00 1.28 0.00 0.00 41.25 42.88 1uwd s ASN 77 CO 0.72 -0.26 0.44 0.52 -2.04 0.00 0.00 177.10 176.48 1uwd n VAL 78 N 0.11 0.24 -1.74 3.54 0.31 -1.26 -2.09 118.33 117.43 1uwd n VAL 78 Ca -0.12 -4.18 -0.40 0.00 -0.01 0.00 0.00 64.34 59.62 1uwd n VAL 78 Cb 0.59 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.58 1uwd n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uwd n GLU 79 N 2.25 3.86 -2.51 5.55 -0.58 0.07 -4.85 120.64 124.43 1uwd n GLU 79 Ca 0.25 -2.86 -0.41 0.00 -0.42 0.00 0.00 57.16 53.73 1uwd n GLU 79 Cb 0.42 -2.84 -0.03 0.00 -0.57 0.00 0.00 31.44 28.43 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 0.98 3.73 0.12 2.62 1.01 -1.26 -1.10 120.40 126.51 1uwd s VAL 80 Ca 0.57 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1uwd s VAL 80 Cb 0.16 -4.87 -0.06 0.00 0.00 0.00 0.00 36.38 31.61 1uwd s VAL 80 CO -0.07 -1.80 1.01 -1.61 0.00 0.00 0.00 175.10 172.63 1uwd s GLU 81 N 5.69 4.66 -0.68 2.72 2.02 0.11 -4.95 118.70 128.27 1uwd s GLU 81 Ca 0.40 1.53 -0.12 0.00 0.02 0.00 0.00 54.97 56.80 1uwd s GLU 81 Cb -0.07 -3.35 0.18 0.00 0.10 0.00 0.00 34.13 30.99 1uwd s GLU 81 CO 0.10 0.16 0.59 -1.17 0.02 0.00 0.00 175.26 174.96 1uwd s LEU 82 N -0.02 6.23 0.02 1.80 2.96 -1.26 -2.09 118.68 126.32 1uwd s LEU 82 Ca 0.48 -2.41 -0.30 0.00 -0.22 0.00 0.00 54.13 51.67 1uwd s LEU 82 Cb -0.25 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1uwd s LEU 82 CO 0.31 -0.62 1.05 -0.89 -1.32 0.00 0.00 176.35 174.88 1uwd s THR 83 N 0.60 4.59 0.00 3.68 2.01 -0.72 -4.89 115.64 120.92 1uwd s THR 83 Ca 0.13 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.99 1uwd s THR 83 Cb -0.18 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1uwd s THR 83 CO -0.04 0.15 0.05 0.49 -0.69 0.00 0.00 174.62 174.57 1uwd n PHE 84 N 3.90 0.00 0.12 4.92 3.72 -1.26 -4.39 117.46 124.46 1uwd n PHE 84 Ca 0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.37 1uwd n PHE 84 Cb 0.49 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.97 1uwd n PHE 84 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1uwd h ASP 85 N 0.00 -0.31 -4.23 4.37 1.82 -2.00 -3.46 116.42 112.60 1uwd h ASP 85 Ca 0.00 -0.20 -0.49 0.00 -0.39 0.00 0.00 57.03 55.95 1uwd h ASP 85 Cb 0.05 0.08 0.06 0.00 0.68 0.00 0.00 39.33 40.20 1uwd h ASP 85 CO 0.00 0.17 0.38 -2.16 -1.61 0.00 0.00 179.24 176.02 1uwd s PRO 86 N -3.56 3.39 0.24 0.28 0.04 -1.26 -5.01 135.00 129.12 1uwd s PRO 86 Ca -0.11 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 1uwd s PRO 86 Cb 0.01 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1uwd s PRO 86 CO 0.40 -0.74 1.30 -1.25 0.04 0.00 0.00 177.00 176.75 1uwd s PRO 87 N -4.28 4.39 0.00 0.56 0.04 -1.26 -5.02 135.00 129.43 1uwd s PRO 87 Ca 0.61 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1uwd s PRO 87 Cb -0.14 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1uwd s PRO 87 CO 0.39 -0.21 0.00 1.87 0.04 0.00 0.00 177.00 179.10 1uwd n TRP 88 N 2.03 0.00 0.00 0.56 -0.00 -1.26 -5.09 117.44 113.68 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 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 0.53 5.87 -1.04 -1.26 -5.04 114.28 113.34 1uwd n THR 89 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1uwd n THR 89 Cb 0.00 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.21 0.26 -2.82 -0.04 -1.26 -3.09 135.00 128.26 1uwd n PRO 90 Ca 0.00 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1uwd n PRO 90 Cb 0.00 -1.81 0.59 0.00 -0.04 0.00 0.00 33.50 32.24 1uwd n PRO 90 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1uwd h GLU 91 N 0.00 0.00 0.00 0.54 4.81 -1.96 -3.32 114.58 114.65 1uwd h GLU 91 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1uwd h GLU 91 Cb 0.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1uwd h GLU 91 CO 0.00 0.09 -0.16 0.00 -0.73 0.00 0.00 179.01 178.21 1uwd h ARG 92 N 0.00 0.00 -7.13 1.92 3.08 -1.80 -3.45 114.38 107.00 1uwd h ARG 92 Ca -0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 1uwd h ARG 92 Cb 0.60 0.00 0.21 0.00 0.08 0.00 0.00 29.97 30.86 1uwd h ARG 92 CO 0.01 0.16 -0.03 -1.64 -1.07 0.00 0.00 179.97 177.40 1uwd s MET 93 N -3.80 -1.88 0.54 0.04 -1.94 -1.25 -4.05 119.30 106.96 1uwd s MET 93 Ca -0.00 0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 54.15 1uwd s MET 93 Cb 0.11 -1.48 -0.06 0.00 2.01 0.00 0.00 34.83 35.40 1uwd s MET 93 CO 0.60 -4.24 1.02 0.43 -0.01 0.00 0.00 175.02 172.82 1uwd n SER 94 N -5.22 1.13 0.01 3.03 7.64 -1.24 -4.83 113.62 114.14 1uwd n SER 94 Ca 0.08 0.89 -0.01 0.00 1.01 0.00 0.00 58.87 60.85 1uwd n SER 94 Cb 0.58 -1.40 0.27 0.00 -1.01 0.00 0.00 64.21 62.65 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 0.91 0.51 0.00 1.43 0.13 -1.93 -1.73 132.00 131.32 1uwd h PRO 95 Ca -0.48 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.44 1uwd h PRO 95 Cb 1.35 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1uwd h PRO 95 CO 0.53 0.59 -0.39 1.49 -0.23 0.00 0.00 178.00 179.98 1uwd h GLU 96 N 0.48 0.00 0.00 0.86 4.81 -2.01 -2.14 114.58 116.57 1uwd h GLU 96 Ca 0.10 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1uwd h GLU 96 Cb 0.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1uwd h GLU 96 CO 0.02 0.39 -0.81 -0.07 -0.73 0.00 0.00 179.01 177.82 1uwd h LEU 97 N 0.00 0.00 0.19 1.64 3.38 -1.68 -2.75 115.31 116.09 1uwd h LEU 97 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uwd h LEU 97 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1uwd h LEU 97 CO 0.05 0.81 -0.34 0.03 0.09 0.00 0.00 178.44 179.07 1uwd h ARG 98 N 0.00 -0.60 -0.54 1.13 3.08 -1.13 0.47 114.38 116.79 1uwd h ARG 98 Ca -0.01 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1uwd h ARG 98 Cb 1.55 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.72 1uwd h ARG 98 CO 0.10 -0.40 -0.04 1.49 -1.07 0.00 0.00 179.97 180.05 1uwd h GLU 99 N -0.62 0.96 0.46 0.04 4.81 -1.63 0.17 114.58 118.77 1uwd h GLU 99 Ca 0.01 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1uwd h GLU 99 Cb 0.62 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1uwd h GLU 99 CO -0.16 0.97 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.66 1uwd h LYS 100 N 0.87 -0.59 -0.30 1.92 3.64 -1.26 -3.16 116.57 117.69 1uwd h LYS 100 Ca 0.15 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1uwd h LYS 100 Cb 0.57 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1uwd h LYS 100 CO 0.03 -0.35 -0.09 0.74 -2.27 0.00 0.00 179.45 177.52 1uwd h PHE 101 N -0.72 0.52 0.00 1.91 -1.00 -0.80 -3.47 116.94 113.38 1uwd h PHE 101 Ca -0.06 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1uwd h PHE 101 Cb 0.52 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1uwd h PHE 101 CO -0.02 0.57 0.00 0.41 -1.61 0.00 0.00 178.31 177.66 1uwd n GLY 102 N -0.72 0.72 0.00 -1.45 0.00 -0.14 -5.10 105.19 98.51 1uwd n GLY 102 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1uwd n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65