#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 -0.54 0.08 6.12 0.15 -1.26 -5.17 113.70 113.07 1uwd s SER 3 Ca 0.00 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.53 1uwd s SER 3 Cb 0.00 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 1uwd s SER 3 CO 0.00 -0.85 0.95 -1.59 1.20 0.00 0.00 173.24 172.95 1uwd s LYS 4 N -3.03 1.00 0.22 5.44 -2.85 -1.26 -5.12 119.74 114.15 1uwd s LYS 4 Ca -0.02 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1uwd s LYS 4 Cb -0.01 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1uwd s LYS 4 CO -0.06 -0.45 0.00 1.17 0.10 0.00 0.00 175.35 176.10 1uwd n LYS 5 N -0.38 -3.06 -4.18 1.78 4.81 -1.26 -5.06 118.16 110.81 1uwd n LYS 5 Ca -0.07 2.21 -0.26 0.00 -0.87 0.00 0.00 58.31 59.31 1uwd n LYS 5 Cb 0.61 -2.65 -0.07 0.00 0.02 0.00 0.00 35.03 32.94 1uwd n LYS 5 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1uwd s VAL 6 N -1.57 3.87 0.35 3.15 1.01 -1.26 -5.08 120.40 120.87 1uwd s VAL 6 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1uwd s VAL 6 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1uwd s VAL 6 CO 0.00 -0.12 0.13 0.42 0.00 0.00 0.00 175.10 175.53 1uwd s THR 7 N -1.76 0.60 0.32 3.92 -4.23 -1.26 -4.91 115.64 108.31 1uwd s THR 7 Ca 0.28 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1uwd s THR 7 Cb -0.09 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1uwd s THR 7 CO 0.20 0.00 1.74 0.07 -0.54 0.00 0.00 174.62 176.09 1uwd h LYS 8 N 2.03 0.20 -0.45 3.99 2.10 -1.96 -2.67 116.57 119.81 1uwd h LYS 8 Ca -0.36 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.11 1uwd h LYS 8 Cb 1.26 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1uwd h LYS 8 CO 0.57 0.55 -0.10 1.49 -2.00 0.00 0.00 179.45 179.96 1uwd h GLU 9 N 0.17 0.82 -0.13 0.07 4.57 -1.99 -2.81 114.58 115.27 1uwd h GLU 9 Ca 0.02 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1uwd h GLU 9 Cb 0.74 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1uwd h GLU 9 CO 0.06 0.88 -0.15 0.22 -1.18 0.00 0.00 179.01 178.84 1uwd h ASP 10 N 0.74 0.36 -0.14 1.04 3.58 -1.95 -2.59 116.42 117.45 1uwd h ASP 10 Ca 0.13 -0.49 0.01 0.00 0.42 0.00 0.00 57.03 57.09 1uwd h ASP 10 Cb 0.59 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1uwd h ASP 10 CO 0.04 0.78 0.10 0.58 -2.88 0.00 0.00 179.24 177.86 1uwd h VAL 11 N -0.05 1.03 0.12 2.25 2.07 -1.37 0.42 116.25 120.71 1uwd h VAL 11 Ca 0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1uwd h VAL 11 Cb 0.69 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1uwd h VAL 11 CO 0.04 0.03 -0.06 -0.07 0.02 0.00 0.00 177.57 177.53 1uwd h LEU 12 N 0.18 -0.13 -1.42 2.57 3.38 -1.41 -2.84 115.31 115.64 1uwd h LEU 12 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1uwd h LEU 12 Cb 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1uwd h LEU 12 CO -0.01 0.26 0.25 0.78 0.09 0.00 0.00 178.44 179.81 1uwd h ASN 13 N -0.55 0.57 1.02 -0.43 2.35 -0.68 -1.87 115.58 116.00 1uwd h ASN 13 Ca -0.02 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1uwd h ASN 13 Cb 0.44 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1uwd h ASN 13 CO 0.03 0.47 -0.38 0.00 -1.65 0.00 0.00 177.43 175.90 1uwd h ALA 14 N 1.63 0.92 0.00 -0.83 0.00 -0.29 -2.61 119.26 118.07 1uwd h ALA 14 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uwd h ALA 14 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uwd h ALA 14 CO -0.03 0.47 -0.56 1.28 0.00 0.00 0.00 179.25 180.41 1uwd n LEU 15 N -3.43 0.66 -1.26 0.00 4.77 -0.78 -3.80 117.00 113.15 1uwd n LEU 15 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1uwd n LEU 15 Cb 0.55 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1uwd n LEU 15 CO 0.37 -0.04 0.50 0.29 -1.33 0.00 0.00 177.39 177.18 1uwd n LYS 16 N -2.02 0.71 0.00 3.23 5.02 -0.77 -2.36 118.16 121.96 1uwd n LYS 16 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1uwd n LYS 16 Cb 0.42 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 1.05 0.00 -3.96 4.39 3.02 -1.25 -5.03 115.26 113.48 1uwd n ASN 17 Ca 0.00 -0.63 -0.30 0.00 -0.03 0.00 0.00 54.58 53.61 1uwd n ASN 17 Cb 0.35 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.00 2.33 0.01 2.41 1.01 -1.00 -5.09 120.40 120.08 1uwd s VAL 18 Ca 0.00 -2.80 -0.22 0.00 0.00 0.00 0.00 61.98 58.96 1uwd s VAL 18 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1uwd s VAL 18 CO 0.00 -0.72 0.66 -0.63 0.00 0.00 0.00 175.10 174.42 1uwd s ILE 19 N 0.32 4.85 -0.26 2.22 -1.09 -1.26 -3.68 121.20 122.29 1uwd s ILE 19 Ca 0.14 1.39 -0.29 0.00 -2.23 0.00 0.00 60.65 59.67 1uwd s ILE 19 Cb -0.23 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1uwd s ILE 19 CO -0.04 0.39 1.63 -1.81 -1.23 0.00 0.00 174.94 173.87 1uwd s ASP 20 N -0.10 6.29 0.67 3.58 1.11 0.43 -4.90 116.67 123.74 1uwd s ASP 20 Ca 0.34 1.49 0.44 0.00 0.18 0.00 0.00 52.55 55.00 1uwd s ASP 20 Cb -0.19 -2.53 2.42 0.00 1.07 0.00 0.00 42.92 43.69 1uwd s ASP 20 CO 0.19 -1.35 2.37 -0.26 1.18 0.00 0.00 175.17 177.31 1uwd h PHE 21 N 11.09 0.00 0.00 4.23 -1.00 -1.95 -0.59 116.94 128.71 1uwd h PHE 21 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1uwd h PHE 21 Cb 1.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1uwd h PHE 21 CO 0.92 0.00 0.00 -0.85 -1.61 0.00 0.00 178.31 176.77 1uwd n GLU 22 N -3.11 0.03 0.00 1.51 0.28 -1.26 -4.47 120.64 113.63 1uwd n GLU 22 Ca -0.03 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1uwd n GLU 22 Cb 0.07 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1uwd n GLU 22 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1uwd n LEU 23 N -1.59 0.00 0.00 -1.84 7.94 -1.15 -5.04 117.00 115.32 1uwd n LEU 23 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1uwd n LEU 23 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1uwd n LEU 23 CO 0.24 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 1uwd n GLY 24 N 0.04 1.18 3.26 -3.96 0.00 -0.24 -5.10 105.19 100.37 1uwd n GLY 24 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.28 0.56 0.99 2.01 -1.22 -4.83 118.68 118.47 1uwd s LEU 25 Ca 0.00 -0.66 -0.18 0.00 0.01 0.00 0.00 54.13 53.30 1uwd s LEU 25 Cb 0.00 -0.80 -0.05 0.00 0.01 0.00 0.00 46.19 45.35 1uwd s LEU 25 CO 0.00 0.03 1.08 -1.81 1.01 0.00 0.00 176.35 176.67 1uwd s ASP 26 N -1.81 5.78 0.51 2.29 -0.00 -1.26 -0.43 116.67 121.75 1uwd s ASP 26 Ca 0.04 1.99 0.28 0.00 -0.00 0.00 0.00 52.55 54.86 1uwd s ASP 26 Cb -0.10 -2.56 1.39 0.00 -0.00 0.00 0.00 42.92 41.65 1uwd s ASP 26 CO 0.04 -1.17 1.90 -0.37 -0.00 0.00 0.00 175.17 175.57 1uwd h VAL 27 N 0.88 0.61 0.00 -1.27 -1.51 -1.78 0.18 116.25 113.36 1uwd h VAL 27 Ca -0.48 -0.03 -0.18 0.00 -1.23 0.00 0.00 66.70 64.78 1uwd h VAL 27 Cb 1.24 0.53 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1uwd h VAL 27 CO 0.57 0.01 -0.85 0.58 -1.23 0.00 0.00 177.57 176.65 1uwd h VAL 28 N 0.08 1.52 -0.03 7.19 2.07 -1.90 0.52 116.25 125.70 1uwd h VAL 28 Ca 0.40 -3.02 -0.19 0.00 0.82 0.00 0.00 66.70 64.72 1uwd h VAL 28 Cb 1.46 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1uwd h VAL 28 CO -0.04 0.84 -0.79 0.28 0.02 0.00 0.00 177.57 177.87 1uwd h SER 29 N 0.00 0.32 -0.75 0.57 0.02 -1.13 -3.07 113.55 109.51 1uwd h SER 29 Ca -0.01 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1uwd h SER 29 Cb 1.60 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 1uwd h SER 29 CO 0.11 0.99 0.36 -0.07 -1.14 0.00 0.00 176.83 177.08 1uwd h LEU 30 N 0.16 0.99 -1.75 5.07 4.07 -0.78 -3.01 115.31 120.06 1uwd h LEU 30 Ca -0.04 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1uwd h LEU 30 Cb 1.38 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1uwd h LEU 30 CO 0.13 0.85 0.00 0.61 -1.08 0.00 0.00 178.44 178.94 1uwd n GLY 31 N -0.97 0.49 0.00 0.83 0.00 0.07 -2.24 105.19 103.37 1uwd n GLY 31 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.87 0.00 -3.05 0.99 4.77 -0.57 -4.92 117.00 113.35 1uwd n LEU 32 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1uwd n LEU 32 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1uwd n LEU 32 CO 0.00 -0.02 -0.38 0.55 -1.33 0.00 0.00 177.39 176.21 1uwd n VAL 33 N -0.05 -6.93 -0.18 4.08 3.14 -1.26 -4.93 118.33 112.20 1uwd n VAL 33 Ca 0.00 0.92 -0.03 0.00 -2.96 0.00 0.00 64.34 62.28 1uwd n VAL 33 Cb 0.00 -5.00 0.18 0.00 -1.06 0.00 0.00 33.84 27.96 1uwd n VAL 33 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1uwd h TYR 34 N 2.93 0.94 -3.47 1.45 0.05 -0.61 -3.47 116.97 114.79 1uwd h TYR 34 Ca -0.10 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.55 1uwd h TYR 34 Cb 0.75 -0.29 -0.15 0.00 1.01 0.00 0.00 36.73 38.06 1uwd h TYR 34 CO 0.02 0.73 -0.21 0.34 -1.05 0.00 0.00 178.16 177.98 1uwd s ASP 35 N -6.49 -0.10 -0.02 3.88 2.15 -0.54 -4.96 116.67 110.59 1uwd s ASP 35 Ca -0.10 -0.36 -0.01 0.00 0.43 0.00 0.00 52.55 52.51 1uwd s ASP 35 Cb 0.16 0.40 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 1uwd s ASP 35 CO 0.80 -0.74 0.03 -0.63 -0.17 0.00 0.00 175.17 174.47 1uwd s ILE 36 N -3.40 -0.03 -0.16 4.11 1.01 -1.26 -1.31 121.20 120.17 1uwd s ILE 36 Ca 0.01 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1uwd s ILE 36 Cb 0.02 -0.07 0.06 0.00 0.01 0.00 0.00 42.46 42.48 1uwd s ILE 36 CO -0.09 0.04 0.36 0.00 0.00 0.00 0.00 174.94 175.26 1uwd s GLN 37 N 0.55 0.32 -0.24 2.79 -2.07 -0.23 -4.93 119.66 115.84 1uwd s GLN 37 Ca -0.04 0.76 -0.00 0.00 -1.82 0.00 0.00 55.36 54.25 1uwd s GLN 37 Cb -0.06 -0.00 0.07 0.00 -1.09 0.00 0.00 33.01 31.92 1uwd s GLN 37 CO -0.02 -0.18 0.00 0.42 -1.32 0.00 0.00 175.29 174.19 1uwd s ILE 38 N 1.61 1.21 1.03 3.63 1.09 -1.26 -0.60 121.20 127.92 1uwd s ILE 38 Ca -0.08 -1.16 -0.12 0.00 -1.10 0.00 0.00 60.65 58.19 1uwd s ILE 38 Cb -0.10 -1.64 0.21 0.00 -1.06 0.00 0.00 42.46 39.87 1uwd s ILE 38 CO -0.11 -0.26 1.08 -0.62 -0.10 0.00 0.00 174.94 174.92 1uwd s ASP 39 N 1.52 2.27 0.53 3.58 -1.08 -1.22 -4.86 116.67 117.41 1uwd s ASP 39 Ca -0.01 1.25 0.30 0.00 -0.52 0.00 0.00 52.55 53.57 1uwd s ASP 39 Cb -0.18 -1.94 1.48 0.00 -1.46 0.00 0.00 42.92 40.82 1uwd s ASP 39 CO -0.10 -3.36 2.06 0.44 0.52 0.00 0.00 175.17 174.73 1uwd h ASP 40 N -2.05 0.00 0.00 -0.34 3.32 -1.97 0.93 116.42 116.30 1uwd h ASP 40 Ca -0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1uwd h ASP 40 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1uwd h ASP 40 CO 0.56 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.18 1uwd n GLN 41 N -3.44 0.97 -2.54 3.56 1.13 -1.26 -4.86 117.38 110.95 1uwd n GLN 41 Ca -0.01 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.84 1uwd n GLN 41 Cb 0.26 -1.04 -0.00 0.00 0.11 0.00 0.00 30.24 29.56 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 -5.78 -4.57 1.08 4.13 0.32 -4.38 115.26 105.60 1uwd n ASN 42 Ca 0.00 -0.06 -0.25 0.00 1.68 0.00 0.00 54.58 55.95 1uwd n ASN 42 Cb 0.02 -4.79 -0.06 0.00 -1.54 0.00 0.00 39.78 33.41 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1uwd s ASN 43 N -2.18 4.84 -0.10 6.41 0.02 -1.25 -2.18 114.94 120.50 1uwd s ASN 43 Ca 0.06 -1.16 -0.30 0.00 -1.02 0.00 0.00 52.86 50.45 1uwd s ASN 43 Cb -0.03 -2.58 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 1uwd s ASN 43 CO 0.08 -3.19 1.40 -0.69 0.02 0.00 0.00 177.10 174.73 1uwd s VAL 44 N 11.54 3.97 -0.01 1.60 1.01 -0.96 -3.36 120.40 134.18 1uwd s VAL 44 Ca 0.72 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.99 1uwd s VAL 44 Cb -0.04 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1uwd s VAL 44 CO 0.09 -0.08 -0.24 -0.75 0.00 0.00 0.00 175.10 174.12 1uwd s LYS 45 N 3.40 1.88 -0.02 2.72 2.20 0.23 -0.81 119.74 129.34 1uwd s LYS 45 Ca 0.62 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1uwd s LYS 45 Cb -0.27 -1.84 0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1uwd s LYS 45 CO 0.22 0.50 0.01 0.08 -0.36 0.00 0.00 175.35 175.80 1uwd s VAL 46 N -0.58 0.05 -0.41 4.02 1.01 -0.56 -1.07 120.40 122.84 1uwd s VAL 46 Ca 0.09 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 1uwd s VAL 46 Cb -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1uwd s VAL 46 CO -0.01 0.08 0.55 -0.76 0.00 0.00 0.00 175.10 174.96 1uwd s LEU 47 N 0.66 4.58 0.00 3.92 1.02 -0.43 -0.63 118.68 127.81 1uwd s LEU 47 Ca -0.06 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1uwd s LEU 47 Cb -0.09 -2.59 0.00 0.00 0.02 0.00 0.00 46.19 43.53 1uwd s LEU 47 CO -0.02 -0.66 0.00 1.15 0.02 0.00 0.00 176.35 176.85 1uwd n MET 48 N 5.95 1.69 -3.55 1.70 0.00 -0.48 0.16 117.12 122.58 1uwd n MET 48 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.58 1uwd n MET 48 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.68 1uwd n MET 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1uwd s THR 49 N -0.74 0.00 0.10 3.17 -1.32 -1.26 -0.88 115.64 114.71 1uwd s THR 49 Ca 0.00 -0.19 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 1uwd s THR 49 Cb 0.00 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 1uwd s THR 49 CO 0.00 0.00 -0.23 -0.04 -2.21 0.00 0.00 174.62 172.14 1uwd s MET 50 N -3.36 1.26 0.20 7.08 -1.94 -1.26 -4.74 119.30 116.54 1uwd s MET 50 Ca 0.06 -1.20 -0.10 0.00 -1.71 0.00 0.00 55.69 52.74 1uwd s MET 50 Cb -0.01 -1.58 0.14 0.00 2.01 0.00 0.00 34.83 35.38 1uwd s MET 50 CO -0.07 0.38 1.81 0.00 -0.01 0.00 0.00 175.02 177.13 1uwd h THR 51 N 4.05 1.23 -3.97 2.05 1.03 -2.01 -3.44 112.91 111.84 1uwd h THR 51 Ca -0.47 -0.58 -0.23 0.00 -0.01 0.00 0.00 66.41 65.12 1uwd h THR 51 Cb 1.17 0.26 -0.20 0.00 -1.07 0.00 0.00 68.15 68.31 1uwd h THR 51 CO 0.40 0.25 -0.72 0.42 -0.01 0.00 0.00 175.52 175.87 1uwd s THR 52 N -5.82 0.42 -2.00 0.00 -4.23 -1.26 -4.97 115.64 97.77 1uwd s THR 52 Ca -0.13 -1.16 0.23 0.00 -1.18 0.00 0.00 61.69 59.46 1uwd s THR 52 Cb 0.15 -0.67 0.66 0.00 1.34 0.00 0.00 72.50 73.98 1uwd s THR 52 CO 0.80 -0.50 1.88 -0.81 -0.54 0.00 0.00 174.62 175.45 1uwd n PRO 53 N 1.28 0.97 -0.03 3.99 -0.04 -1.26 -4.23 135.00 135.67 1uwd n PRO 53 Ca -0.22 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1uwd n PRO 53 Cb 0.56 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.87 2.21 -0.66 0.54 0.00 -1.26 -5.06 117.12 112.02 1uwd n MET 54 Ca 0.17 -1.63 -0.32 0.00 0.00 0.00 0.00 57.70 55.93 1uwd n MET 54 Cb 0.08 -1.05 0.18 0.00 0.00 0.00 0.00 33.22 32.43 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 -2.09 0.72 -1.02 0.00 0.13 -1.97 -3.36 132.00 124.40 1uwd h PRO 56 Ca -0.53 -0.66 -0.36 0.00 -0.87 0.00 0.00 66.00 63.57 1uwd h PRO 56 Cb 1.35 0.16 -0.29 0.00 0.13 0.00 0.00 31.00 32.35 1uwd h PRO 56 CO 0.39 1.26 -0.86 1.47 -0.23 0.00 0.00 178.00 180.03 1uwd n LEU 57 N -3.95 -0.46 -0.20 1.56 -0.00 -1.26 -5.00 117.00 107.69 1uwd n LEU 57 Ca -0.09 -4.29 -0.00 0.00 -0.00 0.00 0.00 56.01 51.63 1uwd n LEU 57 Cb 0.78 0.71 0.07 0.00 -0.00 0.00 0.00 43.42 44.99 1uwd n LEU 57 CO 0.53 2.11 0.79 0.00 -0.00 0.00 0.00 177.39 180.82 1uwd h ALA 58 N 2.92 0.48 -0.96 1.47 0.00 -1.96 -1.19 119.26 120.02 1uwd h ALA 58 Ca -0.02 0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1uwd h ALA 58 Cb 1.06 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1uwd h ALA 58 CO 0.32 -0.42 0.61 0.78 0.00 0.00 0.00 179.25 180.55 1uwd h GLY 59 N 0.05 1.49 0.89 0.00 0.00 -1.94 0.24 103.07 103.81 1uwd h GLY 59 Ca 0.30 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1uwd h GLY 59 CO -0.57 0.15 -0.34 1.98 0.00 0.00 0.00 176.54 177.77 1uwd h MET 60 N 0.91 0.57 -0.02 4.80 -1.53 -1.67 -2.03 114.93 115.96 1uwd h MET 60 Ca 0.48 -0.35 -0.00 0.00 -3.44 0.00 0.00 59.70 56.38 1uwd h MET 60 Cb 0.53 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.62 1uwd h MET 60 CO -0.24 0.96 0.00 0.82 0.14 0.00 0.00 176.91 178.60 1uwd h ILE 61 N 0.24 1.18 -0.40 1.77 2.04 -0.66 -1.55 117.51 120.14 1uwd h ILE 61 Ca 0.01 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1uwd h ILE 61 Cb 0.93 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1uwd h ILE 61 CO 0.08 0.14 0.10 -0.07 0.00 0.00 0.00 178.15 178.40 1uwd h LEU 62 N -0.19 0.54 0.01 1.44 3.38 -0.60 -1.09 115.31 118.80 1uwd h LEU 62 Ca 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1uwd h LEU 62 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uwd h LEU 62 CO 0.00 0.55 -0.01 0.28 0.09 0.00 0.00 178.44 179.35 1uwd h SER 63 N 0.58 -0.01 -0.90 -0.43 0.02 -1.29 -2.95 113.55 108.56 1uwd h SER 63 Ca 0.13 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1uwd h SER 63 Cb 0.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1uwd h SER 63 CO -0.00 0.21 0.58 -0.78 -1.14 0.00 0.00 176.83 175.70 1uwd h ASP 64 N -0.24 0.86 0.02 3.07 3.58 -0.24 0.19 116.42 123.66 1uwd h ASP 64 Ca -0.00 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1uwd h ASP 64 Cb 0.23 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1uwd h ASP 64 CO 0.00 0.53 -0.06 0.00 -2.88 0.00 0.00 179.24 176.83 1uwd h ALA 65 N 1.53 -0.08 -0.94 -0.78 0.00 -1.27 -0.50 119.26 117.22 1uwd h ALA 65 Ca 0.40 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.35 1uwd h ALA 65 Cb 0.30 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1uwd h ALA 65 CO -0.17 -0.56 0.62 1.49 0.00 0.00 0.00 179.25 180.63 1uwd h GLU 66 N -0.12 1.16 0.00 0.00 4.81 -1.03 -1.80 114.58 117.61 1uwd h GLU 66 Ca 0.02 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1uwd h GLU 66 Cb 0.14 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1uwd h GLU 66 CO -0.05 0.77 0.00 0.39 -0.73 0.00 0.00 179.01 179.39 1uwd n GLU 67 N -4.43 0.17 -0.07 1.92 -0.58 0.53 -0.46 120.64 117.72 1uwd n GLU 67 Ca 0.12 0.38 -0.10 0.00 -0.42 0.00 0.00 57.16 57.14 1uwd n GLU 67 Cb 0.09 -1.81 -0.07 0.00 -0.57 0.00 0.00 31.44 29.08 1uwd n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uwd h ALA 68 N 2.33 0.05 -0.98 0.62 0.00 -0.44 -3.33 119.26 117.51 1uwd h ALA 68 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1uwd h ALA 68 Cb 0.38 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1uwd h ALA 68 CO 0.00 0.19 0.65 0.82 0.00 0.00 0.00 179.25 180.90 1uwd h ILE 69 N -1.00 1.22 0.00 0.00 2.04 -0.76 -0.29 117.51 118.72 1uwd h ILE 69 Ca -0.06 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1uwd h ILE 69 Cb 0.68 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1uwd h ILE 69 CO -0.04 0.24 -0.21 0.07 0.00 0.00 0.00 178.15 178.21 1uwd h LYS 70 N 1.29 0.00 0.00 2.37 2.10 -0.99 -3.27 116.57 118.08 1uwd h LYS 70 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1uwd h LYS 70 Cb -0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1uwd h LYS 70 CO -0.10 0.21 0.00 0.36 -2.00 0.00 0.00 179.45 177.93 1uwd n LYS 71 N -3.46 0.08 -0.78 0.07 2.85 -0.12 -4.00 118.16 112.81 1uwd n LYS 71 Ca -0.00 0.24 -0.08 0.00 -1.05 0.00 0.00 58.31 57.41 1uwd n LYS 71 Cb 0.39 -1.63 -0.04 0.00 -0.65 0.00 0.00 35.03 33.09 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 -1.79 2.51 -3.28 0.58 5.41 -1.23 -4.83 119.36 116.72 1uwd n ILE 72 Ca 0.04 -1.17 -0.19 0.00 1.00 0.00 0.00 62.75 62.43 1uwd n ILE 72 Cb 0.26 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 37.52 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 1.53 -0.91 0.00 0.38 0.28 -1.26 -3.64 120.64 117.03 1uwd n GLU 73 Ca 0.21 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1uwd n GLU 73 Cb 0.63 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.32 -0.08 3.00 -1.84 0.00 -1.26 -4.97 105.19 98.72 1uwd n GLY 74 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.67 0.00 -0.31 1.61 0.31 -1.24 -4.69 118.33 112.34 1uwd n VAL 75 Ca 0.00 -0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.13 1uwd n VAL 75 Cb 0.00 -0.76 0.02 0.00 -0.91 0.00 0.00 33.84 32.19 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 7.41 -1.37 -4.45 4.52 -1.24 -1.64 -3.43 115.58 115.39 1uwd h ASN 76 Ca 0.06 0.28 -0.34 0.00 0.71 0.00 0.00 56.30 57.01 1uwd h ASN 76 Cb 0.33 0.70 -0.14 0.00 0.73 0.00 0.00 38.32 39.93 1uwd h ASN 76 CO 0.84 -0.30 -0.63 0.54 -1.29 0.00 0.00 177.43 176.60 1uwd s ASN 77 N -5.28 1.24 -0.07 1.15 4.22 -1.24 -5.04 114.94 109.93 1uwd s ASN 77 Ca -0.14 -1.34 -0.01 0.00 -2.14 0.00 0.00 52.86 49.23 1uwd s ASN 77 Cb 0.18 0.14 0.03 0.00 1.28 0.00 0.00 41.25 42.88 1uwd s ASN 77 CO 0.70 -0.69 -0.00 -0.69 -2.04 0.00 0.00 177.10 174.38 1uwd s VAL 78 N -3.72 0.38 -0.60 3.54 1.01 -1.26 -2.26 120.40 117.50 1uwd s VAL 78 Ca 0.35 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1uwd s VAL 78 Cb 0.07 -0.52 0.25 0.00 0.00 0.00 0.00 36.38 36.18 1uwd s VAL 78 CO 0.12 0.25 0.70 -0.62 0.00 0.00 0.00 175.10 175.55 1uwd n GLU 79 N 5.05 2.19 -3.06 2.72 -0.58 0.01 -5.00 120.64 121.97 1uwd n GLU 79 Ca -0.09 -4.41 -0.44 0.00 -0.42 0.00 0.00 57.16 51.80 1uwd n GLU 79 Cb 0.50 -2.07 -0.04 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.22 4.73 0.09 2.62 1.01 -1.26 -1.50 120.40 123.87 1uwd s VAL 80 Ca 0.39 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1uwd s VAL 80 Cb 0.15 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1uwd s VAL 80 CO -0.03 -1.20 0.99 -0.70 0.00 0.00 0.00 175.10 174.16 1uwd s GLU 81 N 2.92 4.64 -0.67 2.72 2.12 0.20 -4.96 118.70 125.67 1uwd s GLU 81 Ca 0.14 1.49 0.00 0.00 0.36 0.00 0.00 54.97 56.96 1uwd s GLU 81 Cb -0.22 -3.38 0.17 0.00 0.26 0.00 0.00 34.13 30.95 1uwd s GLU 81 CO 0.06 0.12 0.48 -1.17 -0.54 0.00 0.00 175.26 174.21 1uwd s LEU 82 N 0.23 5.02 -0.47 2.70 2.96 -1.26 -1.38 118.68 126.48 1uwd s LEU 82 Ca 0.49 -3.24 -0.29 0.00 -0.22 0.00 0.00 54.13 50.87 1uwd s LEU 82 Cb -0.24 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1uwd s LEU 82 CO 0.30 -0.25 1.15 -0.89 -1.32 0.00 0.00 176.35 175.34 1uwd s THR 83 N -0.61 4.19 -0.23 3.68 2.01 -0.06 -4.86 115.64 119.75 1uwd s THR 83 Ca 0.20 1.22 0.14 0.00 0.31 0.00 0.00 61.69 63.56 1uwd s THR 83 Cb -0.16 -4.59 -0.19 0.00 0.01 0.00 0.00 72.50 67.57 1uwd s THR 83 CO -0.06 -1.00 0.40 0.49 -0.69 0.00 0.00 174.62 173.76 1uwd n PHE 84 N 7.89 0.00 0.20 4.92 3.72 -1.26 -4.41 117.46 128.51 1uwd n PHE 84 Ca 0.12 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.38 1uwd n PHE 84 Cb 0.49 -0.21 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.43 -4.12 4.37 3.32 -2.00 -3.45 116.42 114.10 1uwd h ASP 85 Ca 0.00 -0.11 -0.47 0.00 0.02 0.00 0.00 57.03 56.46 1uwd h ASP 85 Cb 0.53 0.11 0.03 0.00 0.22 0.00 0.00 39.33 40.23 1uwd h ASP 85 CO 0.00 -0.12 0.38 -2.16 -1.72 0.00 0.00 179.24 175.62 1uwd s PRO 86 N -5.01 3.72 0.03 3.56 0.04 -1.26 -5.00 135.00 131.08 1uwd s PRO 86 Ca -0.15 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1uwd s PRO 86 Cb 0.03 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1uwd s PRO 86 CO 0.56 -0.48 1.31 -1.25 0.04 0.00 0.00 177.00 177.18 1uwd s PRO 87 N -3.58 4.34 0.00 0.56 0.04 -1.26 -5.01 135.00 130.08 1uwd s PRO 87 Ca 0.65 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1uwd s PRO 87 Cb -0.15 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1uwd s PRO 87 CO 0.26 -0.44 0.00 1.87 0.04 0.00 0.00 177.00 178.73 1uwd n TRP 88 N 4.65 0.00 0.00 0.56 -0.00 -1.26 -5.10 117.44 116.29 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 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 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 1.44 5.87 -1.04 -1.26 -5.01 114.28 114.28 1uwd n THR 89 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1uwd n THR 89 Cb 0.00 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.59 0.19 -2.82 -0.04 -1.26 -1.70 135.00 129.96 1uwd n PRO 90 Ca 0.00 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 1uwd n PRO 90 Cb 0.00 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.41 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 4.22 -1.96 -3.34 114.58 114.04 1uwd h GLU 91 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1uwd h GLU 91 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uwd h GLU 91 CO 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 1uwd h ARG 92 N 0.00 0.00 -6.85 1.92 3.08 -1.54 -3.45 114.38 107.54 1uwd h ARG 92 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 1uwd h ARG 92 Cb 0.64 0.00 0.21 0.00 0.08 0.00 0.00 29.97 30.90 1uwd h ARG 92 CO 0.00 0.00 -0.23 -1.33 -1.07 0.00 0.00 179.97 177.34 1uwd n MET 93 N -3.04 -3.60 -1.65 0.04 2.81 -0.95 -4.40 117.12 106.33 1uwd n MET 93 Ca 0.00 -1.05 -0.38 0.00 -1.81 0.00 0.00 57.70 54.46 1uwd n MET 93 Cb 0.27 -1.92 0.06 0.00 -0.71 0.00 0.00 33.22 30.92 1uwd n MET 93 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1uwd n SER 94 N -4.64 1.18 0.13 7.83 7.64 -1.14 -4.80 113.62 119.82 1uwd n SER 94 Ca 0.08 0.82 0.04 0.00 1.01 0.00 0.00 58.87 60.82 1uwd n SER 94 Cb 0.55 -1.44 0.45 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.56 0.24 0.00 1.43 0.13 -1.94 -0.74 132.00 131.68 1uwd h PRO 95 Ca -0.49 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1uwd h PRO 95 Cb 1.35 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uwd h PRO 95 CO 0.52 0.29 -0.11 1.05 -0.23 0.00 0.00 178.00 179.51 1uwd h GLU 96 N 0.23 0.00 0.15 0.86 4.11 -2.00 -2.82 114.58 115.10 1uwd h GLU 96 Ca 0.05 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.14 1uwd h GLU 96 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1uwd h GLU 96 CO 0.01 0.11 -1.80 -0.07 0.07 0.00 0.00 179.01 177.32 1uwd h LEU 97 N 0.00 0.48 -0.39 3.06 3.38 -1.50 -3.02 115.31 117.32 1uwd h LEU 97 Ca -0.00 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 57.19 1uwd h LEU 97 Cb 0.52 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1uwd h LEU 97 CO 0.01 1.72 0.12 0.03 0.09 0.00 0.00 178.44 180.41 1uwd h ARG 98 N 0.08 0.26 -0.16 1.13 3.08 -1.16 0.17 114.38 117.78 1uwd h ARG 98 Ca -0.35 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.51 1uwd h ARG 98 Cb 2.06 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 32.06 1uwd h ARG 98 CO 0.14 0.17 -0.56 0.93 -1.07 0.00 0.00 179.97 179.58 1uwd h GLU 99 N 0.26 0.66 0.54 0.04 5.08 -1.69 0.63 114.58 120.10 1uwd h GLU 99 Ca 0.18 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1uwd h GLU 99 Cb 0.19 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1uwd h GLU 99 CO -0.21 1.12 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.32 1uwd h LYS 100 N 0.33 -0.86 -0.18 2.33 3.64 -1.34 -3.16 116.57 117.33 1uwd h LYS 100 Ca -0.03 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1uwd h LYS 100 Cb 1.19 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1uwd h LYS 100 CO 0.12 -0.58 -0.02 0.74 -2.27 0.00 0.00 179.45 177.44 1uwd h PHE 101 N -0.90 0.36 -0.88 1.91 -1.00 -0.76 -3.49 116.94 112.17 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 0.75 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1uwd h PHE 101 CO -0.14 0.56 0.00 0.41 -1.61 0.00 0.00 178.31 177.53 1uwd n GLY 102 N -0.23 -0.97 0.52 -1.45 0.00 0.15 -5.09 105.19 98.13 1uwd n GLY 102 Ca -0.05 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.43 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70