#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 -0.23 -0.44 6.12 1.04 -1.26 -5.10 113.70 113.83 1uwd s SER 3 Ca 0.00 -0.65 0.09 0.00 0.48 0.00 0.00 55.95 55.87 1uwd s SER 3 Cb 0.00 0.65 0.33 0.00 0.10 0.00 0.00 66.02 67.10 1uwd s SER 3 CO 0.00 -1.21 0.76 0.29 0.98 0.00 0.00 173.24 174.06 1uwd n LYS 4 N -0.41 1.63 -3.45 4.02 5.02 -1.26 -4.96 118.16 118.75 1uwd n LYS 4 Ca -0.05 -3.83 -0.26 0.00 -2.02 0.00 0.00 58.31 52.15 1uwd n LYS 4 Cb 0.61 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1uwd n LYS 4 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uwd s LYS 5 N -2.54 0.51 0.59 1.97 2.36 -1.26 -4.95 119.74 116.42 1uwd s LYS 5 Ca 0.42 -1.09 -0.15 0.00 -2.55 0.00 0.00 55.97 52.59 1uwd s LYS 5 Cb 0.29 -1.14 -0.04 0.00 -1.05 0.00 0.00 37.83 35.89 1uwd s LYS 5 CO -0.10 -1.18 1.04 0.08 1.55 0.00 0.00 175.35 176.75 1uwd s VAL 6 N 1.31 3.99 0.19 4.02 1.01 -1.26 -5.07 120.40 124.59 1uwd s VAL 6 Ca 0.16 0.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 1uwd s VAL 6 Cb -0.20 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1uwd s VAL 6 CO -0.06 -0.59 0.21 0.42 0.00 0.00 0.00 175.10 175.08 1uwd s THR 7 N -2.56 0.04 0.38 3.92 -4.23 -1.26 -4.90 115.64 107.02 1uwd s THR 7 Ca 0.62 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1uwd s THR 7 Cb -0.15 -2.21 0.31 0.00 1.34 0.00 0.00 72.50 71.79 1uwd s THR 7 CO 0.38 -0.17 1.94 0.07 -0.54 0.00 0.00 174.62 176.31 1uwd h LYS 8 N 2.60 0.64 -0.09 3.99 2.10 -1.94 -1.45 116.57 122.42 1uwd h LYS 8 Ca -0.33 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.30 1uwd h LYS 8 Cb 1.23 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 1uwd h LYS 8 CO 0.50 0.42 -0.02 0.93 -2.00 0.00 0.00 179.45 179.29 1uwd h GLU 9 N 0.66 0.00 -0.10 0.07 3.07 -1.97 -0.92 114.58 115.40 1uwd h GLU 9 Ca 0.33 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 1uwd h GLU 9 Cb 0.43 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1uwd h GLU 9 CO -0.12 0.00 -0.64 -0.44 -1.40 0.00 0.00 179.01 176.41 1uwd h ASP 10 N 0.00 0.44 -0.46 1.42 3.45 -1.78 -1.04 116.42 118.45 1uwd h ASP 10 Ca 0.04 -0.26 -0.10 0.00 0.43 0.00 0.00 57.03 57.14 1uwd h ASP 10 Cb 0.06 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1uwd h ASP 10 CO -0.09 0.96 -0.10 0.58 -1.57 0.00 0.00 179.24 179.02 1uwd h VAL 11 N 0.28 1.27 0.10 -1.35 2.07 -1.20 -0.76 116.25 116.66 1uwd h VAL 11 Ca -0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1uwd h VAL 11 Cb 1.18 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1uwd h VAL 11 CO 0.11 0.42 -0.05 -0.07 0.02 0.00 0.00 177.57 178.00 1uwd h LEU 12 N 0.73 -0.12 -2.07 2.57 3.38 -0.97 -2.02 115.31 116.81 1uwd h LEU 12 Ca 0.12 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1uwd h LEU 12 Cb 0.65 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1uwd h LEU 12 CO 0.04 0.10 0.03 0.78 0.09 0.00 0.00 178.44 179.48 1uwd h ASN 13 N -0.34 0.00 -0.02 -0.43 2.35 -1.11 -1.21 115.58 114.83 1uwd h ASN 13 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1uwd h ASN 13 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1uwd h ASN 13 CO 0.02 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.72 1uwd h ALA 14 N 1.98 0.03 0.00 -0.83 0.00 -0.93 -3.30 119.26 116.22 1uwd h ALA 14 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1uwd h ALA 14 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1uwd h ALA 14 CO -0.00 -0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 178.96 1uwd h LEU 15 N -0.54 0.00 -0.09 0.00 3.38 -0.58 -2.89 115.31 114.59 1uwd h LEU 15 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uwd h LEU 15 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1uwd h LEU 15 CO 0.02 0.15 0.00 0.29 0.09 0.00 0.00 178.44 178.98 1uwd n LYS 16 N -3.99 0.00 -0.08 1.13 5.02 -0.54 -2.02 118.16 117.68 1uwd n LYS 16 Ca -0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 1uwd n LYS 16 Cb 0.23 -1.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.37 1.22 -4.70 4.39 3.02 -1.09 -5.01 115.26 112.73 1uwd n ASN 17 Ca 0.00 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.43 1uwd n ASN 17 Cb 0.00 -0.51 0.13 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.32 2.17 -0.00 2.41 1.01 -0.86 -4.96 120.40 117.85 1uwd s VAL 18 Ca -0.24 0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1uwd s VAL 18 Cb 0.09 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1uwd s VAL 18 CO 0.30 -0.06 -0.14 -0.63 0.00 0.00 0.00 175.10 174.57 1uwd s ILE 19 N -2.28 1.12 -0.59 2.22 -1.09 -1.26 -4.07 121.20 115.25 1uwd s ILE 19 Ca 0.71 -0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 58.18 1uwd s ILE 19 Cb -0.27 -0.95 0.01 0.00 -1.58 0.00 0.00 42.46 39.67 1uwd s ILE 19 CO 0.51 0.26 1.51 -1.81 -1.23 0.00 0.00 174.94 174.19 1uwd s ASP 20 N -0.48 5.92 0.27 3.58 -0.00 -0.51 -4.91 116.67 120.53 1uwd s ASP 20 Ca 0.05 0.21 -0.02 0.00 -0.00 0.00 0.00 52.55 52.79 1uwd s ASP 20 Cb -0.06 -2.54 0.58 0.00 -0.00 0.00 0.00 42.92 40.89 1uwd s ASP 20 CO -0.00 -1.89 1.66 -0.26 -0.00 0.00 0.00 175.17 174.68 1uwd h PHE 21 N 11.86 0.29 0.00 4.23 0.04 -1.97 0.15 116.94 131.54 1uwd h PHE 21 Ca -0.27 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1uwd h PHE 21 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1uwd h PHE 21 CO 1.05 -0.15 0.00 1.49 -0.60 0.00 0.00 178.31 180.10 1uwd h GLU 22 N 0.23 0.00 0.00 1.51 4.57 -1.97 -3.22 114.58 115.70 1uwd h GLU 22 Ca 0.48 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.58 1uwd h GLU 22 Cb 0.90 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1uwd h GLU 22 CO -0.59 0.00 -1.27 1.28 -1.18 0.00 0.00 179.01 177.25 1uwd n LEU 23 N -2.86 1.25 0.00 1.64 7.99 -0.47 -5.06 117.00 119.50 1uwd n LEU 23 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1uwd n LEU 23 Cb 0.11 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1uwd n LEU 23 CO 0.19 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.94 1uwd n GLY 24 N 2.90 0.99 3.41 -0.72 0.00 0.42 -5.07 105.19 107.12 1uwd n GLY 24 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 2.01 0.43 0.99 2.01 -1.26 -4.94 118.68 117.93 1uwd s LEU 25 Ca 0.00 -1.39 -0.15 0.00 0.01 0.00 0.00 54.13 52.60 1uwd s LEU 25 Cb 0.00 -0.25 -0.08 0.00 0.01 0.00 0.00 46.19 45.87 1uwd s LEU 25 CO 0.00 -0.66 0.87 1.51 1.01 0.00 0.00 176.35 179.09 1uwd s ASP 26 N -3.44 6.67 0.23 2.29 -4.77 -1.26 -1.43 116.67 114.97 1uwd s ASP 26 Ca 0.37 1.41 -0.06 0.00 -3.30 0.00 0.00 52.55 50.96 1uwd s ASP 26 Cb 0.08 -2.43 0.37 0.00 -1.09 0.00 0.00 42.92 39.85 1uwd s ASP 26 CO 0.15 -0.43 1.75 -0.37 0.70 0.00 0.00 175.17 176.98 1uwd h VAL 27 N 1.31 0.77 -0.96 2.11 -1.51 -1.82 0.20 116.25 116.35 1uwd h VAL 27 Ca -0.47 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1uwd h VAL 27 Cb 1.18 0.21 -0.05 0.00 -2.13 0.00 0.00 31.29 30.51 1uwd h VAL 27 CO 0.63 0.09 0.60 0.58 -1.23 0.00 0.00 177.57 178.24 1uwd h VAL 28 N 0.51 1.26 -0.52 7.19 2.07 -1.92 0.13 116.25 124.97 1uwd h VAL 28 Ca 0.37 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1uwd h VAL 28 Cb 0.46 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1uwd h VAL 28 CO -0.32 0.26 -0.00 0.28 0.02 0.00 0.00 177.57 177.81 1uwd h SER 29 N 1.32 0.90 0.66 0.57 0.02 -1.71 -2.73 113.55 112.58 1uwd h SER 29 Ca 0.35 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1uwd h SER 29 Cb -0.09 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 1uwd h SER 29 CO -0.07 0.99 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.50 1uwd h LEU 30 N 0.78 0.00 -2.53 5.07 3.38 0.10 -3.37 115.31 118.74 1uwd h LEU 30 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1uwd h LEU 30 Cb 0.53 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.39 1uwd h LEU 30 CO 0.03 0.04 -0.50 0.61 0.09 0.00 0.00 178.44 178.70 1uwd n GLY 31 N -0.34 -0.89 0.07 0.83 0.00 0.37 -3.51 105.19 101.72 1uwd n GLY 31 Ca -0.01 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.55 0.54 -4.56 0.99 4.32 -1.21 -4.88 117.00 109.64 1uwd n LEU 32 Ca -0.04 -0.02 -0.39 0.00 -0.02 0.00 0.00 56.01 55.54 1uwd n LEU 32 Cb 0.57 0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.50 1uwd n LEU 32 CO 0.47 0.42 1.79 0.68 -1.22 0.00 0.00 177.39 179.53 1uwd s VAL 33 N -2.33 3.20 0.01 4.08 -7.23 -1.26 -3.86 120.40 112.99 1uwd s VAL 33 Ca -0.10 0.15 -0.25 0.00 -1.81 0.00 0.00 61.98 59.97 1uwd s VAL 33 Cb 0.04 -3.42 -0.16 0.00 0.56 0.00 0.00 36.38 33.40 1uwd s VAL 33 CO 0.53 -0.37 1.21 1.88 -0.31 0.00 0.00 175.10 178.04 1uwd h TYR 34 N 16.45 -0.39 -3.62 2.82 0.05 -0.97 -3.48 116.97 127.83 1uwd h TYR 34 Ca -0.28 -0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.32 1uwd h TYR 34 Cb 1.21 0.13 -0.22 0.00 1.01 0.00 0.00 36.73 38.86 1uwd h TYR 34 CO 0.98 -0.06 -0.57 0.34 -1.05 0.00 0.00 178.16 177.81 1uwd s ASP 35 N -5.07 0.05 -0.23 3.88 2.15 -1.09 -5.00 116.67 111.36 1uwd s ASP 35 Ca -0.14 -0.18 -0.03 0.00 0.43 0.00 0.00 52.55 52.63 1uwd s ASP 35 Cb 0.02 0.18 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 1uwd s ASP 35 CO 0.54 -0.27 0.20 -0.63 -0.17 0.00 0.00 175.17 174.84 1uwd s ILE 36 N -1.04 -0.26 -0.07 4.11 1.01 -1.26 -0.84 121.20 122.85 1uwd s ILE 36 Ca -0.11 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1uwd s ILE 36 Cb -0.07 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1uwd s ILE 36 CO 0.01 -0.36 -0.11 -1.10 0.00 0.00 0.00 174.94 173.37 1uwd s GLN 37 N 2.26 2.69 -0.29 2.79 1.11 -0.23 -4.78 119.66 123.21 1uwd s GLN 37 Ca 0.07 -0.64 -0.03 0.00 0.01 0.00 0.00 55.36 54.77 1uwd s GLN 37 Cb -0.15 -2.49 0.10 0.00 -1.01 0.00 0.00 33.01 29.46 1uwd s GLN 37 CO -0.20 0.59 0.11 0.42 0.01 0.00 0.00 175.29 176.23 1uwd s ILE 38 N -0.64 0.37 1.09 1.08 -1.09 -1.26 -0.75 121.20 120.00 1uwd s ILE 38 Ca 0.09 -1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 57.35 1uwd s ILE 38 Cb -0.11 -1.29 0.21 0.00 -1.58 0.00 0.00 42.46 39.69 1uwd s ILE 38 CO 0.01 -0.69 0.82 -0.67 -1.23 0.00 0.00 174.94 173.19 1uwd n ASP 39 N 5.06 -1.42 0.01 3.58 -0.08 -0.92 -4.83 116.55 117.95 1uwd n ASP 39 Ca -0.04 0.01 0.14 0.00 -1.51 0.00 0.00 54.79 53.39 1uwd n ASP 39 Cb 0.42 -1.25 0.55 0.00 2.34 0.00 0.00 41.12 43.18 1uwd n ASP 39 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1uwd n ASP 40 N -3.94 0.15 -0.96 1.67 10.43 -1.26 -0.75 116.55 121.88 1uwd n ASP 40 Ca 0.05 0.42 0.02 0.00 2.57 0.00 0.00 54.79 57.85 1uwd n ASP 40 Cb 0.55 -0.43 0.14 0.00 1.84 0.00 0.00 41.12 43.21 1uwd n ASP 40 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uwd n GLN 41 N -1.59 2.31 -2.96 -1.24 1.13 -1.26 -4.91 117.38 108.86 1uwd n GLN 41 Ca 0.07 -1.06 -0.19 0.00 -1.94 0.00 0.00 57.00 53.87 1uwd n GLN 41 Cb 0.35 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 0.21 -4.15 -4.56 1.08 3.02 0.07 -4.50 115.26 106.43 1uwd n ASN 42 Ca 0.09 -0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.14 1uwd n ASN 42 Cb 0.57 -3.45 -0.04 0.00 -0.61 0.00 0.00 39.78 36.25 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 -2.46 5.61 -0.24 6.41 0.02 -1.25 -2.76 114.94 120.28 1uwd s ASN 43 Ca 0.23 -0.46 -0.29 0.00 -1.02 0.00 0.00 52.86 51.32 1uwd s ASN 43 Cb -0.12 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.59 1uwd s ASN 43 CO 0.29 -2.24 1.35 -0.69 0.02 0.00 0.00 177.10 175.83 1uwd s VAL 44 N 8.05 4.10 -0.16 1.60 1.01 -0.88 -2.17 120.40 131.95 1uwd s VAL 44 Ca 0.58 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 1uwd s VAL 44 Cb -0.08 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1uwd s VAL 44 CO 0.07 -0.34 0.05 -0.75 0.00 0.00 0.00 175.10 174.13 1uwd s LYS 45 N 4.05 0.43 -0.09 2.72 2.20 0.07 -0.88 119.74 128.23 1uwd s LYS 45 Ca 0.59 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 56.02 1uwd s LYS 45 Cb -0.20 -1.78 0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1uwd s LYS 45 CO 0.22 -0.59 -0.14 0.08 -0.36 0.00 0.00 175.35 174.56 1uwd s VAL 46 N 1.98 1.38 -0.64 4.02 1.01 -0.86 -1.07 120.40 126.23 1uwd s VAL 46 Ca 0.01 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1uwd s VAL 46 Cb -0.16 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1uwd s VAL 46 CO -0.08 0.42 1.27 -0.76 0.00 0.00 0.00 175.10 175.95 1uwd s LEU 47 N 0.85 3.33 0.50 3.92 1.02 -0.02 -0.49 118.68 127.79 1uwd s LEU 47 Ca -0.10 -0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.00 1uwd s LEU 47 Cb -0.15 -2.90 -0.01 0.00 0.02 0.00 0.00 46.19 43.14 1uwd s LEU 47 CO 0.01 -1.67 0.06 -0.32 0.02 0.00 0.00 176.35 174.45 1uwd s MET 48 N 5.38 2.18 0.00 1.70 1.75 -0.67 -0.26 119.30 129.38 1uwd s MET 48 Ca 0.42 -2.31 0.00 0.00 -1.25 0.00 0.00 55.69 52.55 1uwd s MET 48 Cb -0.08 -1.63 0.00 0.00 2.84 0.00 0.00 34.83 35.96 1uwd s MET 48 CO 0.21 -0.35 0.00 -2.37 -0.65 0.00 0.00 175.02 171.86 1uwd n THR 49 N -1.29 0.00 -4.34 10.11 5.66 -1.25 -1.50 114.28 121.66 1uwd n THR 49 Ca -0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 1uwd n THR 49 Cb 0.67 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.36 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 -1.15 2.07 0.20 1.09 -1.94 -1.26 -4.90 119.30 113.41 1uwd s MET 50 Ca 0.00 -1.77 -0.11 0.00 -1.71 0.00 0.00 55.69 52.11 1uwd s MET 50 Cb 0.00 -1.92 0.25 0.00 2.01 0.00 0.00 34.83 35.17 1uwd s MET 50 CO 0.00 0.12 1.73 0.00 -0.01 0.00 0.00 175.02 176.86 1uwd h THR 51 N 1.80 0.73 -2.86 2.05 1.03 -2.00 -3.46 112.91 110.21 1uwd h THR 51 Ca -0.43 -0.11 -0.09 0.00 -0.01 0.00 0.00 66.41 65.77 1uwd h THR 51 Cb 1.25 0.38 -0.18 0.00 -1.07 0.00 0.00 68.15 68.53 1uwd h THR 51 CO 0.67 0.06 -0.12 0.42 -0.01 0.00 0.00 175.52 176.54 1uwd s THR 52 N -6.11 0.05 -1.39 0.00 -4.23 -1.26 -4.72 115.64 97.98 1uwd s THR 52 Ca -0.13 -0.39 0.18 0.00 -1.18 0.00 0.00 61.69 60.17 1uwd s THR 52 Cb 0.17 -0.83 0.30 0.00 1.34 0.00 0.00 72.50 73.48 1uwd s THR 52 CO 0.74 -0.22 1.56 -0.81 -0.54 0.00 0.00 174.62 175.35 1uwd n PRO 53 N 0.87 0.23 -0.00 3.99 -0.04 -1.26 -3.17 135.00 135.62 1uwd n PRO 53 Ca -0.20 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1uwd n PRO 53 Cb 0.58 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.26 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 -1.31 1.02 -1.71 0.54 0.00 -1.26 -4.95 117.12 109.45 1uwd n MET 54 Ca 0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 57.70 57.33 1uwd n MET 54 Cb 0.15 -1.39 -0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 2.50 -0.10 -1.93 0.00 0.13 -1.95 -3.15 132.00 127.50 1uwd h PRO 56 Ca -0.47 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 1uwd h PRO 56 Cb 1.28 0.02 -0.42 0.00 0.13 0.00 0.00 31.00 32.01 1uwd h PRO 56 CO 0.62 0.44 -0.69 1.47 -0.23 0.00 0.00 178.00 179.61 1uwd n LEU 57 N -4.80 4.51 -0.24 1.56 -0.00 -1.26 -4.92 117.00 111.84 1uwd n LEU 57 Ca -0.07 -5.45 -0.01 0.00 -0.00 0.00 0.00 56.01 50.48 1uwd n LEU 57 Cb 0.29 -0.49 0.05 0.00 -0.00 0.00 0.00 43.42 43.27 1uwd n LEU 57 CO 0.25 2.30 0.68 0.00 -0.00 0.00 0.00 177.39 180.61 1uwd h ALA 58 N 2.80 0.27 0.00 1.47 0.00 -1.93 0.00 119.26 121.87 1uwd h ALA 58 Ca 0.20 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1uwd h ALA 58 Cb 0.70 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1uwd h ALA 58 CO 0.83 -0.52 -0.01 0.78 0.00 0.00 0.00 179.25 180.33 1uwd h GLY 59 N -0.06 0.00 0.59 0.00 0.00 -1.91 0.11 103.07 101.80 1uwd h GLY 59 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.38 1uwd h GLY 59 CO -0.74 0.00 -1.26 1.98 0.00 0.00 0.00 176.54 176.51 1uwd h MET 60 N 0.00 0.26 -0.01 4.80 -1.53 -1.45 -2.93 114.93 114.07 1uwd h MET 60 Ca -0.00 -0.44 0.02 0.00 -3.44 0.00 0.00 59.70 55.84 1uwd h MET 60 Cb 0.02 0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.21 1uwd h MET 60 CO 0.00 1.21 -0.10 0.82 0.14 0.00 0.00 176.91 178.98 1uwd h ILE 61 N -0.32 0.75 -0.13 1.77 2.04 -0.43 -0.61 117.51 120.58 1uwd h ILE 61 Ca -0.26 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1uwd h ILE 61 Cb 1.73 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1uwd h ILE 61 CO 0.08 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 178.01 1uwd h LEU 62 N -0.16 0.20 -0.37 1.44 3.38 -0.99 -0.79 115.31 118.02 1uwd h LEU 62 Ca 0.04 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1uwd h LEU 62 Cb 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1uwd h LEU 62 CO -0.11 0.37 -0.35 -1.28 0.09 0.00 0.00 178.44 177.16 1uwd h SER 63 N 0.20 0.94 0.79 -0.43 0.87 -1.23 -2.55 113.55 112.15 1uwd h SER 63 Ca 0.04 -0.46 -0.11 0.00 -1.23 0.00 0.00 61.79 60.03 1uwd h SER 63 Cb 0.39 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1uwd h SER 63 CO 0.02 1.21 -0.51 -0.78 -0.53 0.00 0.00 176.83 176.24 1uwd h ASP 64 N 0.69 0.00 -0.28 6.23 -0.00 -0.54 -0.86 116.42 121.66 1uwd h ASP 64 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1uwd h ASP 64 Cb 0.94 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.25 1uwd h ASP 64 CO 0.09 0.51 0.18 0.00 -0.00 0.00 0.00 179.24 180.02 1uwd h ALA 65 N 1.49 0.36 -0.90 -0.78 0.00 -1.11 -1.91 119.26 116.40 1uwd h ALA 65 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1uwd h ALA 65 Cb 1.05 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1uwd h ALA 65 CO 0.07 -0.16 0.56 1.49 0.00 0.00 0.00 179.25 181.20 1uwd h GLU 66 N 0.38 0.95 -0.95 0.00 4.81 -1.04 -2.11 114.58 116.62 1uwd h GLU 66 Ca 0.10 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1uwd h GLU 66 Cb -0.03 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.07 1uwd h GLU 66 CO -0.02 0.63 0.61 1.49 -0.73 0.00 0.00 179.01 180.99 1uwd h GLU 67 N 0.98 0.99 0.17 1.92 4.57 -0.40 0.14 114.58 122.94 1uwd h GLU 67 Ca 0.41 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1uwd h GLU 67 Cb 0.26 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1uwd h GLU 67 CO -0.20 0.66 -0.08 0.00 -1.18 0.00 0.00 179.01 178.20 1uwd h ALA 68 N 1.51 -0.23 -0.55 2.92 0.00 -1.08 -3.29 119.26 118.54 1uwd h ALA 68 Ca 0.43 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1uwd h ALA 68 Cb 0.32 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1uwd h ALA 68 CO -0.19 -0.33 0.22 0.82 0.00 0.00 0.00 179.25 179.78 1uwd h ILE 69 N -0.83 0.84 0.00 0.00 2.04 -0.90 -1.73 117.51 116.93 1uwd h ILE 69 Ca -0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1uwd h ILE 69 Cb 0.52 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1uwd h ILE 69 CO 0.04 0.08 0.00 2.29 0.00 0.00 0.00 178.15 180.56 1uwd n LYS 70 N -4.96 0.20 0.05 2.37 2.85 0.44 -3.06 118.16 116.04 1uwd n LYS 70 Ca 0.06 0.45 0.13 0.00 -1.05 0.00 0.00 58.31 57.91 1uwd n LYS 70 Cb 0.21 -1.90 0.50 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.28 0.12 -1.55 -1.58 2.85 -0.65 -4.47 118.16 110.60 1uwd n LYS 71 Ca 0.02 0.14 -0.40 0.00 -1.05 0.00 0.00 58.31 57.02 1uwd n LYS 71 Cb 0.22 -1.65 -0.02 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.85 4.51 -2.37 0.58 5.41 -1.17 -4.82 119.36 119.63 1uwd n ILE 72 Ca 0.06 -3.12 -0.08 0.00 1.00 0.00 0.00 62.75 60.61 1uwd n ILE 72 Cb 0.35 -2.47 -0.02 0.00 -0.71 0.00 0.00 39.64 36.80 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 3.29 -0.96 0.00 0.38 0.28 -1.26 -1.13 120.64 121.24 1uwd n GLU 73 Ca 0.72 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.74 1uwd n GLU 73 Cb 0.25 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.23 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 -0.85 0.95 2.86 -1.84 0.00 -1.26 -4.84 105.19 100.20 1uwd n GLY 74 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.32 1.61 3.14 -0.28 -4.72 118.33 117.77 1uwd n VAL 75 Ca 0.00 -0.16 -0.02 0.00 -2.96 0.00 0.00 64.34 61.21 1uwd n VAL 75 Cb 0.00 -0.49 0.02 0.00 -1.06 0.00 0.00 33.84 32.32 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 4.01 -0.56 -4.07 6.55 5.15 -1.11 -4.78 115.26 120.45 1uwd n ASN 76 Ca 0.06 1.42 -0.10 0.00 -0.60 0.00 0.00 54.58 55.36 1uwd n ASN 76 Cb 0.13 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 38.99 1uwd n ASN 76 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uwd s ASN 77 N -5.30 0.03 -0.42 1.20 4.22 -1.25 -5.02 114.94 108.40 1uwd s ASN 77 Ca -0.11 -1.10 0.02 0.00 -2.14 0.00 0.00 52.86 49.53 1uwd s ASN 77 Cb 0.16 0.48 0.15 0.00 1.28 0.00 0.00 41.25 43.32 1uwd s ASN 77 CO 0.57 -0.98 0.27 -0.69 -2.04 0.00 0.00 177.10 174.23 1uwd s VAL 78 N -4.06 0.76 -1.09 3.54 1.01 -1.26 -2.07 120.40 117.23 1uwd s VAL 78 Ca 0.28 -2.37 -0.03 0.00 0.00 0.00 0.00 61.98 59.86 1uwd s VAL 78 Cb 0.03 -1.54 0.29 0.00 0.00 0.00 0.00 36.38 35.16 1uwd s VAL 78 CO 0.09 -1.02 1.73 -0.62 0.00 0.00 0.00 175.10 175.28 1uwd n GLU 79 N 3.47 4.87 -2.54 2.72 -0.58 -0.06 -4.97 120.64 123.54 1uwd n GLU 79 Ca 0.16 -4.46 -0.41 0.00 -0.42 0.00 0.00 57.16 52.02 1uwd n GLU 79 Cb 0.39 -2.53 -0.03 0.00 -0.57 0.00 0.00 31.44 28.70 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 -3.16 3.80 0.24 2.62 1.01 -1.26 -2.02 120.40 121.63 1uwd s VAL 80 Ca 0.37 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1uwd s VAL 80 Cb 0.12 -4.83 -0.09 0.00 0.00 0.00 0.00 36.38 31.59 1uwd s VAL 80 CO -0.02 -1.67 0.96 -0.70 0.00 0.00 0.00 175.10 173.67 1uwd s GLU 81 N 5.53 4.84 -0.61 2.72 2.56 0.36 -4.98 118.70 129.12 1uwd s GLU 81 Ca 0.39 1.52 0.05 0.00 0.00 0.00 0.00 54.97 56.93 1uwd s GLU 81 Cb -0.08 -3.27 0.19 0.00 2.00 0.00 0.00 34.13 32.96 1uwd s GLU 81 CO 0.19 0.49 0.50 -0.11 -0.56 0.00 0.00 175.26 175.76 1uwd n LEU 82 N 1.49 2.20 -4.56 2.70 7.94 -1.25 -1.68 117.00 123.84 1uwd n LEU 82 Ca -0.02 -5.03 -0.41 0.00 -1.11 0.00 0.00 56.01 49.44 1uwd n LEU 82 Cb 0.47 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 1uwd n LEU 82 CO 0.50 1.85 1.16 -0.89 -1.11 0.00 0.00 177.39 178.90 1uwd s THR 83 N -1.28 3.77 -0.30 1.96 2.01 -0.56 -4.88 115.64 116.36 1uwd s THR 83 Ca 0.30 0.50 0.11 0.00 0.31 0.00 0.00 61.69 62.91 1uwd s THR 83 Cb 0.02 -4.87 0.74 0.00 0.01 0.00 0.00 72.50 68.40 1uwd s THR 83 CO -0.15 -1.75 1.76 0.33 -0.69 0.00 0.00 174.62 174.12 1uwd n PHE 84 N 9.24 2.23 -0.05 4.92 -0.00 -1.26 -4.42 117.46 128.12 1uwd n PHE 84 Ca 0.04 -1.12 -0.09 0.00 -0.00 0.00 0.00 57.45 56.28 1uwd n PHE 84 Cb 0.49 -0.63 -0.03 0.00 -0.00 0.00 0.00 39.48 39.31 1uwd n PHE 84 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1uwd n ASP 85 N -0.10 1.36 -4.76 -2.13 -0.08 -1.26 -5.04 116.55 104.54 1uwd n ASP 85 Ca 0.37 0.22 -0.33 0.00 -1.51 0.00 0.00 54.79 53.54 1uwd n ASP 85 Cb 1.31 -0.51 0.06 0.00 2.34 0.00 0.00 41.12 44.32 1uwd n ASP 85 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1uwd s PRO 86 N -2.40 2.58 0.16 -0.67 0.02 -1.26 -5.00 135.00 128.42 1uwd s PRO 86 Ca -0.18 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 1uwd s PRO 86 Cb 0.05 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1uwd s PRO 86 CO 0.24 -1.44 1.13 -1.25 -0.33 0.00 0.00 177.00 175.36 1uwd s PRO 87 N -4.12 4.55 0.00 5.54 0.04 -1.26 -5.03 135.00 134.72 1uwd s PRO 87 Ca 0.68 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1uwd s PRO 87 Cb -0.22 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1uwd s PRO 87 CO 0.44 -0.01 0.00 1.87 0.04 0.00 0.00 177.00 179.34 1uwd n TRP 88 N 2.64 0.00 0.00 0.56 -0.00 -1.26 -5.09 117.44 114.29 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 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 1uwd n TRP 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1uwd n THR 89 N 0.00 0.00 0.31 5.87 -1.04 -1.26 -5.04 114.28 113.12 1uwd n THR 89 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1uwd n THR 89 Cb 0.00 0.00 1.00 0.00 -1.82 0.00 0.00 70.33 69.51 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 -1.98 -1.96 132.00 125.37 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 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 176.93 1uwd n GLU 91 N -3.52 0.05 0.27 0.86 0.28 -1.26 -3.21 120.64 114.10 1uwd n GLU 91 Ca -0.03 0.32 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 1uwd n GLU 91 Cb 0.10 -1.59 0.76 0.00 1.43 0.00 0.00 31.44 32.14 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 0.00 -7.15 3.44 2.47 -1.59 -3.43 114.38 108.12 1uwd h ARG 92 Ca 0.00 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.29 1uwd h ARG 92 Cb 0.25 0.00 0.21 0.00 -1.65 0.00 0.00 29.97 28.78 1uwd h ARG 92 CO 0.00 0.10 -0.00 -1.64 0.56 0.00 0.00 179.97 178.99 1uwd s MET 93 N -4.10 -1.17 0.74 0.04 -1.94 -1.20 -4.28 119.30 107.39 1uwd s MET 93 Ca -0.02 0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 54.51 1uwd s MET 93 Cb 0.12 -1.53 0.02 0.00 2.01 0.00 0.00 34.83 35.45 1uwd s MET 93 CO 0.56 -3.86 1.05 0.43 -0.01 0.00 0.00 175.02 173.20 1uwd n SER 94 N -4.99 0.75 -0.01 3.03 7.64 -1.26 -4.78 113.62 114.00 1uwd n SER 94 Ca 0.03 0.66 0.02 0.00 1.01 0.00 0.00 58.87 60.59 1uwd n SER 94 Cb 0.55 -1.45 0.35 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 -0.34 0.56 -0.40 1.43 0.13 -1.94 -0.70 132.00 130.73 1uwd h PRO 95 Ca -0.47 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.44 1uwd h PRO 95 Cb 1.32 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1uwd h PRO 95 CO 0.47 0.48 -0.30 1.49 -0.23 0.00 0.00 178.00 179.91 1uwd h GLU 96 N 0.56 0.87 -0.14 0.86 4.22 -2.00 -2.83 114.58 116.11 1uwd h GLU 96 Ca 0.14 -0.40 -0.09 0.00 0.08 0.00 0.00 59.36 59.08 1uwd h GLU 96 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1uwd h GLU 96 CO -0.01 1.04 -0.33 -0.07 -2.18 0.00 0.00 179.01 177.47 1uwd h LEU 97 N 0.73 0.27 0.55 1.64 3.38 -1.66 -0.57 115.31 119.65 1uwd h LEU 97 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1uwd h LEU 97 Cb 0.85 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1uwd h LEU 97 CO 0.08 0.59 -0.27 0.03 0.09 0.00 0.00 178.44 178.96 1uwd h ARG 98 N 0.23 -0.72 -0.87 1.13 3.08 -0.94 0.12 114.38 116.43 1uwd h ARG 98 Ca 0.03 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1uwd h ARG 98 Cb 0.70 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 1uwd h ARG 98 CO 0.05 -0.47 0.56 0.93 -1.07 0.00 0.00 179.97 179.97 1uwd h GLU 99 N -0.76 1.04 0.35 0.04 5.08 -1.44 0.57 114.58 119.45 1uwd h GLU 99 Ca -0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1uwd h GLU 99 Cb 0.58 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1uwd h GLU 99 CO 0.12 0.69 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.38 1uwd h LYS 100 N 1.07 -0.51 -0.28 2.33 3.64 -0.86 -3.31 116.57 118.64 1uwd h LYS 100 Ca 0.35 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1uwd h LYS 100 Cb 0.04 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1uwd h LYS 100 CO -0.13 -0.34 0.08 0.74 -2.27 0.00 0.00 179.45 177.53 1uwd h PHE 101 N -0.53 0.45 0.00 1.91 -1.00 -0.63 -3.47 116.94 113.65 1uwd h PHE 101 Ca -0.05 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1uwd h PHE 101 Cb 0.43 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1uwd h PHE 101 CO 0.00 0.48 0.00 0.41 -1.61 0.00 0.00 178.31 177.59 1uwd n GLY 102 N -0.62 0.63 0.00 -1.45 0.00 -0.00 -5.10 105.19 98.65 1uwd n GLY 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1uwd n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65