#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 -0.44 0.17 6.12 0.15 -1.26 -5.19 113.70 113.25 1uwd s SER 3 Ca 0.00 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 1uwd s SER 3 Cb 0.00 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1uwd s SER 3 CO 0.00 -1.06 0.49 -0.54 1.20 0.00 0.00 173.24 173.33 1uwd s LYS 4 N -3.74 1.27 -0.10 5.44 1.02 -1.26 -4.77 119.74 117.61 1uwd s LYS 4 Ca 0.05 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 1uwd s LYS 4 Cb -0.03 0.51 0.01 0.00 -0.52 0.00 0.00 37.83 37.81 1uwd s LYS 4 CO -0.06 -0.53 0.07 1.17 -0.92 0.00 0.00 175.35 175.09 1uwd n LYS 5 N -0.31 -2.38 -2.91 1.68 4.81 -1.26 -5.01 118.16 112.78 1uwd n LYS 5 Ca -0.13 2.02 -0.34 0.00 -0.87 0.00 0.00 58.31 58.99 1uwd n LYS 5 Cb 0.63 -2.70 -0.07 0.00 0.02 0.00 0.00 35.03 32.91 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 -0.60 4.43 0.37 3.15 1.01 -1.26 -5.10 120.40 122.41 1uwd s VAL 6 Ca -0.09 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.40 1uwd s VAL 6 Cb 0.01 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1uwd s VAL 6 CO 0.34 -0.13 -0.01 0.42 0.00 0.00 0.00 175.10 175.72 1uwd s THR 7 N -1.94 1.91 0.43 3.92 -4.23 -1.26 -4.86 115.64 109.62 1uwd s THR 7 Ca 0.56 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 59.11 1uwd s THR 7 Cb -0.12 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.10 1uwd s THR 7 CO 0.17 -0.07 2.04 0.07 -0.54 0.00 0.00 174.62 176.30 1uwd h LYS 8 N 1.91 0.34 -0.82 3.99 2.10 -1.97 -1.19 116.57 120.93 1uwd h LYS 8 Ca -0.43 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1uwd h LYS 8 Cb 1.24 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 1uwd h LYS 8 CO 0.76 0.28 0.46 1.49 -2.00 0.00 0.00 179.45 180.44 1uwd h GLU 9 N 0.35 1.13 -0.04 0.07 4.57 -1.96 -0.91 114.58 117.80 1uwd h GLU 9 Ca 0.09 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1uwd h GLU 9 Cb 0.06 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1uwd h GLU 9 CO -0.01 0.82 -0.27 -0.44 -1.18 0.00 0.00 179.01 177.94 1uwd h ASP 10 N 1.14 0.30 -0.57 1.04 3.45 -1.65 -1.77 116.42 118.36 1uwd h ASP 10 Ca 0.29 -0.69 0.03 0.00 0.43 0.00 0.00 57.03 57.09 1uwd h ASP 10 Cb 0.01 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 1uwd h ASP 10 CO -0.05 0.94 0.38 0.58 -1.57 0.00 0.00 179.24 179.52 1uwd h VAL 11 N -0.32 1.09 -0.01 -1.35 2.07 -1.20 0.18 116.25 116.70 1uwd h VAL 11 Ca -0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1uwd h VAL 11 Cb 0.95 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1uwd h VAL 11 CO 0.05 0.13 -0.02 -0.07 0.02 0.00 0.00 177.57 177.68 1uwd h LEU 12 N 0.69 0.04 -2.18 2.57 3.38 -1.09 -1.27 115.31 117.44 1uwd h LEU 12 Ca 0.22 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1uwd h LEU 12 Cb 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1uwd h LEU 12 CO -0.06 0.54 0.00 0.78 0.09 0.00 0.00 178.44 179.79 1uwd h ASN 13 N -0.46 0.00 0.03 -0.43 2.35 -0.61 -2.12 115.58 114.34 1uwd h ASN 13 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1uwd h ASN 13 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1uwd h ASN 13 CO 0.00 0.00 -0.49 0.00 -1.65 0.00 0.00 177.43 175.30 1uwd h ALA 14 N 2.00 0.06 0.00 -0.83 0.00 -0.60 -3.36 119.26 116.53 1uwd h ALA 14 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1uwd h ALA 14 Cb 0.27 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1uwd h ALA 14 CO 0.00 0.27 -0.02 -0.07 0.00 0.00 0.00 179.25 179.43 1uwd h LEU 15 N -0.86 0.00 -2.90 0.00 3.38 -0.87 -2.48 115.31 111.58 1uwd h LEU 15 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1uwd h LEU 15 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1uwd h LEU 15 CO -0.02 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1uwd n LYS 16 N -3.41 0.06 0.00 1.13 5.02 -0.83 -1.96 118.16 118.17 1uwd n LYS 16 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1uwd n LYS 16 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.44 0.00 -4.64 4.39 3.02 -0.93 -5.06 115.26 113.47 1uwd n ASN 17 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1uwd n ASN 17 Cb 0.03 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.78 4.28 -0.13 2.41 1.01 -0.83 -5.02 120.40 121.34 1uwd s VAL 18 Ca 0.00 1.49 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1uwd s VAL 18 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1uwd s VAL 18 CO 0.00 -0.38 0.09 -0.63 0.00 0.00 0.00 175.10 174.18 1uwd s ILE 19 N 3.94 5.07 -0.21 2.22 -1.09 -1.26 -3.65 121.20 126.22 1uwd s ILE 19 Ca 0.53 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.71 1uwd s ILE 19 Cb -0.17 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1uwd s ILE 19 CO 0.18 0.57 1.99 -0.62 -1.23 0.00 0.00 174.94 175.83 1uwd s ASP 20 N -0.57 5.83 0.30 3.58 -1.08 -0.33 -4.88 116.67 119.53 1uwd s ASP 20 Ca 0.11 1.80 0.06 0.00 -0.52 0.00 0.00 52.55 54.00 1uwd s ASP 20 Cb -0.12 -2.52 0.74 0.00 -1.46 0.00 0.00 42.92 39.56 1uwd s ASP 20 CO 0.02 -1.67 1.77 0.15 0.52 0.00 0.00 175.17 175.96 1uwd h PHE 21 N 13.27 1.04 0.00 -5.34 3.57 -1.97 0.11 116.94 127.63 1uwd h PHE 21 Ca -0.39 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 1uwd h PHE 21 Cb 1.21 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1uwd h PHE 21 CO 0.94 0.21 -0.00 0.93 -2.23 0.00 0.00 178.31 178.16 1uwd h GLU 22 N 0.73 -0.00 0.00 1.11 3.07 -1.98 -3.38 114.58 114.13 1uwd h GLU 22 Ca 0.58 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.32 1uwd h GLU 22 Cb 0.92 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1uwd h GLU 22 CO -0.40 0.76 -0.59 -0.07 -1.40 0.00 0.00 179.01 177.32 1uwd h LEU 23 N -1.00 0.00 0.19 1.33 4.07 -1.84 -3.47 115.31 114.60 1uwd h LEU 23 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1uwd h LEU 23 Cb 0.77 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 1uwd h LEU 23 CO 0.00 0.59 -0.08 0.61 -1.08 0.00 0.00 178.44 178.48 1uwd n GLY 24 N 0.39 0.69 3.42 0.83 0.00 0.35 -5.02 105.19 105.85 1uwd n GLY 24 Ca -0.01 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.92 2.46 0.21 0.99 1.43 -1.26 -4.92 118.68 116.67 1uwd s LEU 25 Ca 0.00 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.16 1uwd s LEU 25 Cb 0.00 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1uwd s LEU 25 CO 0.00 0.09 0.46 1.51 0.23 0.00 0.00 176.35 178.64 1uwd s ASP 26 N -2.80 6.48 0.30 2.29 1.47 -1.26 -1.18 116.67 121.97 1uwd s ASP 26 Ca 0.22 0.64 0.04 0.00 1.18 0.00 0.00 52.55 54.63 1uwd s ASP 26 Cb -0.07 -2.11 0.66 0.00 -0.34 0.00 0.00 42.92 41.06 1uwd s ASP 26 CO 0.10 -0.06 1.82 -0.37 0.68 0.00 0.00 175.17 177.35 1uwd h VAL 27 N 1.75 0.84 -0.20 2.11 -1.51 -1.79 0.77 116.25 118.22 1uwd h VAL 27 Ca -0.47 -0.30 -0.18 0.00 -1.23 0.00 0.00 66.70 64.53 1uwd h VAL 27 Cb 1.18 -0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1uwd h VAL 27 CO 0.69 0.16 -0.59 0.58 -1.23 0.00 0.00 177.57 177.18 1uwd h VAL 28 N 0.87 1.31 -0.62 7.19 2.07 -1.84 0.19 116.25 125.41 1uwd h VAL 28 Ca 0.51 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1uwd h VAL 28 Cb 0.66 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1uwd h VAL 28 CO -0.29 0.58 0.09 0.28 0.02 0.00 0.00 177.57 178.25 1uwd h SER 29 N 0.50 0.96 0.41 0.57 0.02 -1.69 -0.45 113.55 113.87 1uwd h SER 29 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1uwd h SER 29 Cb 1.17 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1uwd h SER 29 CO 0.12 0.97 0.00 0.18 -1.14 0.00 0.00 176.83 176.95 1uwd n LEU 30 N -4.22 0.00 -1.64 5.07 4.77 0.17 -4.21 117.00 116.94 1uwd n LEU 30 Ca 0.04 0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1uwd n LEU 30 Cb 0.28 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1uwd n LEU 30 CO 0.42 -0.16 -0.19 0.61 -1.33 0.00 0.00 177.39 176.74 1uwd n GLY 31 N 0.17 1.65 3.55 -0.72 0.00 0.39 -4.27 105.19 105.96 1uwd n GLY 31 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.70 3.26 -0.26 0.99 1.43 0.33 -4.82 118.68 114.90 1uwd s LEU 32 Ca 0.00 0.02 -0.38 0.00 -1.03 0.00 0.00 54.13 52.74 1uwd s LEU 32 Cb 0.00 -2.54 0.15 0.00 0.03 0.00 0.00 46.19 43.84 1uwd s LEU 32 CO 0.00 -2.43 1.36 0.54 0.23 0.00 0.00 176.35 176.05 1uwd s VAL 33 N 9.10 0.00 0.01 -1.59 0.11 -1.26 -4.72 120.40 122.04 1uwd s VAL 33 Ca 0.66 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1uwd s VAL 33 Cb -0.11 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1uwd s VAL 33 CO 0.15 0.00 0.00 -1.22 -3.33 0.00 0.00 175.10 170.70 1uwd n TYR 34 N -0.05 -0.03 -4.25 1.54 4.01 0.03 -4.86 117.16 113.55 1uwd n TYR 34 Ca 0.04 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 1uwd n TYR 34 Cb 0.57 0.19 -0.13 0.00 -0.31 0.00 0.00 39.34 39.66 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 -4.66 1.66 -0.41 7.72 -1.08 -1.20 -4.98 116.67 113.71 1uwd s ASP 35 Ca 0.00 -0.54 0.07 0.00 -0.52 0.00 0.00 52.55 51.56 1uwd s ASP 35 Cb 0.00 -0.07 0.24 0.00 -1.46 0.00 0.00 42.92 41.62 1uwd s ASP 35 CO 0.00 -0.03 0.56 -0.38 0.52 0.00 0.00 175.17 175.84 1uwd n ILE 36 N 1.56 -0.65 -3.04 4.11 5.41 -1.26 -0.98 119.36 124.51 1uwd n ILE 36 Ca -0.20 -3.49 -0.43 0.00 1.00 0.00 0.00 62.75 59.63 1uwd n ILE 36 Cb 0.54 -1.34 -0.06 0.00 -0.71 0.00 0.00 39.64 38.07 1uwd n ILE 36 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1uwd s GLN 37 N -0.69 3.36 -0.13 0.38 -0.21 -0.63 -4.58 119.66 117.16 1uwd s GLN 37 Ca 0.34 -0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.49 1uwd s GLN 37 Cb 0.16 -3.94 -0.02 0.00 1.00 0.00 0.00 33.01 30.21 1uwd s GLN 37 CO -0.14 -1.04 -0.12 0.42 -2.12 0.00 0.00 175.29 172.29 1uwd s ILE 38 N 3.03 3.12 0.89 1.08 1.01 -1.26 -1.83 121.20 127.24 1uwd s ILE 38 Ca 0.26 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1uwd s ILE 38 Cb -0.13 -2.32 0.14 0.00 0.01 0.00 0.00 42.46 40.16 1uwd s ILE 38 CO 0.20 0.52 1.22 -0.62 0.00 0.00 0.00 174.94 176.26 1uwd s ASP 39 N 0.37 3.73 0.37 3.58 -1.08 -0.90 -4.94 116.67 117.80 1uwd s ASP 39 Ca -0.10 0.64 0.20 0.00 -0.52 0.00 0.00 52.55 52.76 1uwd s ASP 39 Cb -0.16 -0.98 0.49 0.00 -1.46 0.00 0.00 42.92 40.81 1uwd s ASP 39 CO 0.05 -2.38 1.64 -0.78 0.52 0.00 0.00 175.17 174.22 1uwd h ASP 40 N -1.39 0.00 -0.04 -0.34 -0.00 -1.96 -2.18 116.42 110.50 1uwd h ASP 40 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1uwd h ASP 40 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.63 1uwd h ASP 40 CO 0.55 0.33 0.00 0.00 -0.00 0.00 0.00 179.24 180.12 1uwd n GLN 41 N -3.30 1.14 -1.63 0.28 3.00 -1.26 -4.87 117.38 110.74 1uwd n GLN 41 Ca 0.01 -0.21 -0.17 0.00 -0.01 0.00 0.00 57.00 56.62 1uwd n GLN 41 Cb 0.57 -1.19 -0.06 0.00 0.00 0.00 0.00 30.24 29.56 1uwd n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1uwd n ASN 42 N -0.47 -5.02 -4.56 1.08 4.13 -0.82 -4.46 115.26 105.14 1uwd n ASN 42 Ca 0.09 0.34 -0.39 0.00 1.68 0.00 0.00 54.58 56.30 1uwd n ASN 42 Cb 0.09 -4.02 -0.03 0.00 -1.54 0.00 0.00 39.78 34.28 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 -2.73 5.33 -0.33 6.41 0.01 -1.26 -2.75 114.94 119.62 1uwd s ASN 43 Ca 0.00 0.58 -0.27 0.00 -0.71 0.00 0.00 52.86 52.46 1uwd s ASN 43 Cb 0.00 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.15 1uwd s ASN 43 CO 0.00 -2.28 0.98 -0.69 -1.51 0.00 0.00 177.10 173.60 1uwd s VAL 44 N 8.87 4.57 -0.20 1.60 1.01 -0.56 -2.11 120.40 133.59 1uwd s VAL 44 Ca 0.72 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 64.12 1uwd s VAL 44 Cb -0.15 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1uwd s VAL 44 CO 0.24 -0.47 0.01 -0.75 0.00 0.00 0.00 175.10 174.13 1uwd s LYS 45 N 3.50 3.69 -0.04 2.72 2.20 -0.76 -0.69 119.74 130.35 1uwd s LYS 45 Ca 0.41 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.55 1uwd s LYS 45 Cb -0.12 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1uwd s LYS 45 CO 0.16 0.06 -0.07 0.08 -0.36 0.00 0.00 175.35 175.23 1uwd s VAL 46 N 0.88 0.68 -0.53 4.02 1.01 -0.85 -1.61 120.40 123.99 1uwd s VAL 46 Ca 0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1uwd s VAL 46 Cb -0.14 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.63 1uwd s VAL 46 CO 0.02 0.24 0.92 -0.22 0.00 0.00 0.00 175.10 176.07 1uwd s LEU 47 N 0.57 4.12 0.52 3.92 2.96 -0.16 -1.75 118.68 128.88 1uwd s LEU 47 Ca -0.09 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1uwd s LEU 47 Cb -0.12 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.73 1uwd s LEU 47 CO 0.01 -1.18 0.35 -0.32 -1.32 0.00 0.00 176.35 173.88 1uwd s MET 48 N 3.86 2.27 -0.28 1.98 1.75 -0.82 -0.79 119.30 127.27 1uwd s MET 48 Ca 0.31 -2.00 -0.18 0.00 -1.25 0.00 0.00 55.69 52.56 1uwd s MET 48 Cb -0.12 -2.06 0.10 0.00 2.84 0.00 0.00 34.83 35.59 1uwd s MET 48 CO 0.20 -0.52 0.82 -0.08 -0.65 0.00 0.00 175.02 174.79 1uwd s THR 49 N -2.75 0.00 0.87 10.11 -1.32 -1.26 -0.66 115.64 120.64 1uwd s THR 49 Ca 0.33 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.68 1uwd s THR 49 Cb -0.01 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.10 1uwd s THR 49 CO 0.20 0.00 1.23 -0.04 -2.21 0.00 0.00 174.62 173.80 1uwd s MET 50 N 1.22 1.41 0.10 7.08 -1.94 -1.26 -4.54 119.30 121.38 1uwd s MET 50 Ca -0.07 -0.08 -0.23 0.00 -1.71 0.00 0.00 55.69 53.60 1uwd s MET 50 Cb -0.05 -1.90 -0.10 0.00 2.01 0.00 0.00 34.83 34.79 1uwd s MET 50 CO -0.14 -1.95 1.70 1.15 -0.01 0.00 0.00 175.02 175.77 1uwd h THR 51 N -1.31 0.78 -3.09 2.05 2.02 -2.00 -3.44 112.91 107.93 1uwd h THR 51 Ca -0.46 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1uwd h THR 51 Cb 1.29 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 1uwd h THR 51 CO 0.55 0.00 0.17 0.42 0.37 0.00 0.00 175.52 177.03 1uwd s THR 52 N -6.16 0.01 0.03 3.16 -4.23 -1.26 -4.71 115.64 102.47 1uwd s THR 52 Ca -0.14 -0.67 0.27 0.00 -1.18 0.00 0.00 61.69 59.97 1uwd s THR 52 Cb 0.08 -1.62 0.29 0.00 1.34 0.00 0.00 72.50 72.59 1uwd s THR 52 CO 0.66 -0.03 1.83 1.55 -0.54 0.00 0.00 174.62 178.10 1uwd h PRO 53 N 2.05 0.00 0.00 3.99 0.13 -1.96 -3.21 132.00 133.00 1uwd h PRO 53 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1uwd h PRO 53 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uwd h PRO 53 CO 0.31 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 1uwd n MET 54 N -3.24 0.45 -1.51 0.86 0.00 -1.26 -4.84 117.12 107.58 1uwd n MET 54 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.27 1uwd n MET 54 Cb 0.42 -1.34 -0.01 0.00 0.00 0.00 0.00 33.22 32.28 1uwd n MET 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uwd n PRO 56 N 0.68 0.00 -1.14 0.00 -0.04 -1.26 -3.92 135.00 129.32 1uwd n PRO 56 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1uwd n PRO 56 Cb 0.34 -0.20 -0.12 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.09 5.70 -0.34 1.53 -0.00 -1.26 -4.72 117.00 117.82 1uwd n LEU 57 Ca 0.00 -3.45 0.22 0.00 -0.00 0.00 0.00 56.01 52.77 1uwd n LEU 57 Cb 0.00 -1.33 0.45 0.00 -0.00 0.00 0.00 43.42 42.54 1uwd n LEU 57 CO 0.00 1.67 1.16 0.00 -0.00 0.00 0.00 177.39 180.21 1uwd h ALA 58 N 2.87 1.96 -0.68 1.47 0.00 -1.96 0.12 119.26 123.05 1uwd h ALA 58 Ca 0.25 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.38 1uwd h ALA 58 Cb 1.21 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1uwd h ALA 58 CO 0.45 -0.49 0.36 0.78 0.00 0.00 0.00 179.25 180.36 1uwd h GLY 59 N 0.43 1.01 0.69 0.00 0.00 -1.92 0.81 103.07 104.10 1uwd h GLY 59 Ca 0.68 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1uwd h GLY 59 CO -0.50 0.12 -0.00 -0.33 0.00 0.00 0.00 176.54 175.83 1uwd h MET 60 N 0.65 0.04 -0.85 4.80 2.07 -1.41 -2.48 114.93 117.74 1uwd h MET 60 Ca 0.32 -0.01 0.07 0.00 -2.07 0.00 0.00 59.70 58.01 1uwd h MET 60 Cb 0.26 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.93 1uwd h MET 60 CO -0.22 0.35 0.56 0.82 1.07 0.00 0.00 176.91 179.49 1uwd h ILE 61 N -0.27 1.03 -0.46 -1.22 2.04 -0.64 0.14 117.51 118.13 1uwd h ILE 61 Ca 0.01 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1uwd h ILE 61 Cb 0.33 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1uwd h ILE 61 CO 0.00 0.17 -0.22 -0.07 0.00 0.00 0.00 178.15 178.03 1uwd h LEU 62 N 0.92 0.99 -1.32 1.44 3.38 -0.87 -0.30 115.31 119.55 1uwd h LEU 62 Ca 0.38 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1uwd h LEU 62 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1uwd h LEU 62 CO -0.14 1.17 -0.34 -1.28 0.09 0.00 0.00 178.44 177.94 1uwd h SER 63 N 0.81 0.00 -0.02 -0.43 0.87 -0.74 -2.87 113.55 111.17 1uwd h SER 63 Ca 0.10 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1uwd h SER 63 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1uwd h SER 63 CO 0.07 0.34 -0.21 0.44 -0.53 0.00 0.00 176.83 176.93 1uwd h ASP 64 N 0.00 0.21 -0.39 6.23 3.45 -0.41 -1.40 116.42 124.11 1uwd h ASP 64 Ca -0.00 -0.73 0.08 0.00 0.43 0.00 0.00 57.03 56.81 1uwd h ASP 64 Cb 0.61 -0.06 -0.09 0.00 -0.56 0.00 0.00 39.33 39.23 1uwd h ASP 64 CO 0.04 0.91 -0.24 0.00 -1.57 0.00 0.00 179.24 178.39 1uwd h ALA 65 N 0.30 -0.00 -0.57 3.45 0.00 -1.08 0.18 119.26 121.54 1uwd h ALA 65 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1uwd h ALA 65 Cb 0.93 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1uwd h ALA 65 CO 0.04 -0.62 0.38 1.49 0.00 0.00 0.00 179.25 180.54 1uwd h GLU 66 N -0.18 0.37 -0.35 0.00 4.81 -1.53 -2.67 114.58 115.04 1uwd h GLU 66 Ca 0.19 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1uwd h GLU 66 Cb 0.47 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1uwd h GLU 66 CO -0.49 0.25 -0.12 1.05 -0.73 0.00 0.00 179.01 178.96 1uwd h GLU 67 N 0.38 0.69 -0.27 1.92 -0.00 0.49 0.97 114.58 118.77 1uwd h GLU 67 Ca 0.26 -0.28 -0.11 0.00 -0.00 0.00 0.00 59.36 59.23 1uwd h GLU 67 Cb 0.52 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.22 1uwd h GLU 67 CO -0.07 0.87 -0.29 0.00 -0.00 0.00 0.00 179.01 179.52 1uwd h ALA 68 N 0.80 0.99 -0.21 1.06 0.00 -1.07 -2.64 119.26 118.19 1uwd h ALA 68 Ca 0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1uwd h ALA 68 Cb 0.64 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uwd h ALA 68 CO 0.04 0.60 -0.34 0.82 0.00 0.00 0.00 179.25 180.37 1uwd h ILE 69 N 0.48 1.33 0.00 0.00 2.04 -1.27 -3.17 117.51 116.92 1uwd h ILE 69 Ca 0.06 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1uwd h ILE 69 Cb 0.75 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1uwd h ILE 69 CO 0.06 0.48 0.00 2.29 0.00 0.00 0.00 178.15 180.98 1uwd n LYS 70 N -4.29 0.53 0.00 2.37 2.85 0.32 -3.42 118.16 116.51 1uwd n LYS 70 Ca -0.06 0.03 0.10 0.00 -1.05 0.00 0.00 58.31 57.33 1uwd n LYS 70 Cb 0.50 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.42 1uwd n LYS 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1uwd n LYS 71 N -1.19 1.63 0.00 -1.58 2.85 -1.01 -4.54 118.16 114.33 1uwd n LYS 71 Ca 0.15 -1.30 0.00 0.00 -1.05 0.00 0.00 58.31 56.10 1uwd n LYS 71 Cb 0.17 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 1uwd n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1uwd n ILE 72 N 0.55 0.00 -4.13 0.58 5.41 -1.22 -4.83 119.36 115.71 1uwd n ILE 72 Ca 0.10 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.53 1uwd n ILE 72 Cb 0.45 -0.22 -0.03 0.00 -0.71 0.00 0.00 39.64 39.13 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 -0.26 -3.13 0.00 0.38 2.13 -1.26 -4.46 120.64 114.05 1uwd n GLU 73 Ca 0.00 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1uwd n GLU 73 Cb 0.07 -4.82 0.00 0.00 0.27 0.00 0.00 31.44 26.96 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 -1.68 0.00 2.98 8.31 0.00 -1.26 -4.69 105.19 108.85 1uwd n GLY 74 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.17 1.72 -0.35 1.61 0.31 -1.26 -4.65 118.33 115.54 1uwd n VAL 75 Ca 0.00 -1.31 -0.06 0.00 -0.01 0.00 0.00 64.34 62.96 1uwd n VAL 75 Cb 0.00 -2.19 -0.04 0.00 -0.91 0.00 0.00 33.84 30.70 1uwd n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uwd n ASN 76 N 6.51 -0.77 -4.39 4.52 5.15 -1.11 -4.66 115.26 120.50 1uwd n ASN 76 Ca 0.45 1.51 -0.19 0.00 -0.60 0.00 0.00 54.58 55.74 1uwd n ASN 76 Cb 0.30 -0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 39.20 1uwd n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1uwd s ASN 77 N -5.38 2.33 -0.36 1.20 2.47 -1.26 -5.01 114.94 108.94 1uwd s ASN 77 Ca -0.11 -1.22 0.00 0.00 0.42 0.00 0.00 52.86 51.95 1uwd s ASN 77 Cb 0.12 -0.09 0.14 0.00 -1.45 0.00 0.00 41.25 39.98 1uwd s ASN 77 CO 0.56 -0.44 0.21 -0.69 -3.72 0.00 0.00 177.10 173.02 1uwd s VAL 78 N -3.21 0.30 -0.78 -5.21 1.01 -1.26 -1.49 120.40 109.76 1uwd s VAL 78 Ca 0.30 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.52 1uwd s VAL 78 Cb 0.05 -1.22 0.30 0.00 0.00 0.00 0.00 36.38 35.51 1uwd s VAL 78 CO 0.11 -0.97 1.13 -0.62 0.00 0.00 0.00 175.10 174.75 1uwd n GLU 79 N 4.03 3.61 -3.28 2.72 1.02 0.13 -4.99 120.64 123.88 1uwd n GLU 79 Ca 0.11 -4.71 -0.46 0.00 -0.02 0.00 0.00 57.16 52.08 1uwd n GLU 79 Cb 0.37 -2.34 -0.04 0.00 -0.02 0.00 0.00 31.44 29.41 1uwd n GLU 79 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1uwd s VAL 80 N -3.41 5.22 0.29 2.62 -7.23 -1.26 -2.01 120.40 114.62 1uwd s VAL 80 Ca 0.41 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.68 1uwd s VAL 80 Cb 0.17 -4.40 -0.09 0.00 0.56 0.00 0.00 36.38 32.62 1uwd s VAL 80 CO -0.04 -0.96 0.96 -0.70 -0.31 0.00 0.00 175.10 174.05 1uwd s GLU 81 N 1.50 4.66 -0.65 4.82 2.12 -0.72 -4.94 118.70 125.50 1uwd s GLU 81 Ca 0.08 1.44 -0.07 0.00 0.36 0.00 0.00 54.97 56.78 1uwd s GLU 81 Cb -0.25 -2.99 0.17 0.00 0.26 0.00 0.00 34.13 31.32 1uwd s GLU 81 CO 0.01 0.34 0.50 -1.17 -0.54 0.00 0.00 175.26 174.39 1uwd s LEU 82 N -1.73 5.70 -0.76 2.70 2.96 -1.26 -1.94 118.68 124.35 1uwd s LEU 82 Ca 0.47 -2.64 -0.27 0.00 -0.22 0.00 0.00 54.13 51.47 1uwd s LEU 82 Cb -0.23 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.53 1uwd s LEU 82 CO 0.28 -0.48 1.32 -0.89 -1.32 0.00 0.00 176.35 175.27 1uwd s THR 83 N 0.25 3.72 -0.06 3.68 2.01 0.17 -4.83 115.64 120.58 1uwd s THR 83 Ca 0.15 0.29 0.22 0.00 0.31 0.00 0.00 61.69 62.66 1uwd s THR 83 Cb -0.19 -4.88 -0.30 0.00 0.01 0.00 0.00 72.50 67.14 1uwd s THR 83 CO -0.04 -1.82 0.53 0.49 -0.69 0.00 0.00 174.62 173.08 1uwd n PHE 84 N 9.51 0.11 0.05 4.92 3.72 -1.26 -4.40 117.46 130.11 1uwd n PHE 84 Ca 0.07 0.03 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 1uwd n PHE 84 Cb 0.49 -0.57 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 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 -0.11 -3.85 4.37 1.82 -2.00 -3.44 116.42 113.21 1uwd h ASP 85 Ca -0.02 0.02 -0.48 0.00 -0.39 0.00 0.00 57.03 56.15 1uwd h ASP 85 Cb 1.05 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.10 1uwd h ASP 85 CO 0.00 -0.06 0.39 -2.16 -1.61 0.00 0.00 179.24 175.80 1uwd s PRO 86 N -6.18 4.59 -0.68 0.28 0.04 -1.26 -4.97 135.00 126.82 1uwd s PRO 86 Ca -0.14 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 1uwd s PRO 86 Cb 0.07 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 31.67 1uwd s PRO 86 CO 0.66 0.25 1.22 -1.25 0.04 0.00 0.00 177.00 177.91 1uwd s PRO 87 N -1.77 3.29 0.00 0.56 0.04 -1.26 -4.97 135.00 130.89 1uwd s PRO 87 Ca 0.48 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1uwd s PRO 87 Cb -0.24 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1uwd s PRO 87 CO 0.31 -1.95 0.14 1.87 0.04 0.00 0.00 177.00 177.40 1uwd n TRP 88 N 8.88 0.00 0.00 0.56 -0.00 -1.26 -4.93 117.44 120.69 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 0.49 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 -0.32 0.00 0.28 5.87 -1.04 -1.26 -5.02 114.28 112.80 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 0.95 0.00 -1.82 0.00 0.00 70.33 69.46 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 -0.01 -2.82 0.14 -1.94 -1.20 132.00 126.17 1uwd h PRO 90 Ca 0.00 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1uwd h PRO 90 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.14 1uwd h PRO 90 CO 0.00 0.00 0.00 0.39 0.14 0.00 0.00 178.00 178.53 1uwd n GLU 91 N -3.59 1.22 -0.26 0.86 -0.58 -1.26 -3.69 120.64 113.33 1uwd n GLU 91 Ca -0.01 -0.31 0.01 0.00 -0.42 0.00 0.00 57.16 56.43 1uwd n GLU 91 Cb 0.18 -1.48 0.14 0.00 -0.57 0.00 0.00 31.44 29.71 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uwd h ARG 92 N 0.76 0.67 -6.99 3.49 3.08 -1.51 -3.44 114.38 110.44 1uwd h ARG 92 Ca 0.00 -0.04 -0.47 0.00 0.07 0.00 0.00 59.98 59.54 1uwd h ARG 92 Cb 0.16 -0.15 0.22 0.00 0.08 0.00 0.00 29.97 30.28 1uwd h ARG 92 CO 0.00 0.45 -0.31 -1.33 -1.07 0.00 0.00 179.97 177.70 1uwd n MET 93 N -4.80 -1.61 -1.64 0.04 2.81 -1.24 -4.72 117.12 105.95 1uwd n MET 93 Ca 0.12 -0.44 -0.40 0.00 -1.81 0.00 0.00 57.70 55.17 1uwd n MET 93 Cb 0.26 -2.05 0.02 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.54 1.59 0.29 7.83 7.64 -1.26 -4.87 113.62 121.29 1uwd n SER 94 Ca 0.05 1.00 0.18 0.00 1.01 0.00 0.00 58.87 61.10 1uwd n SER 94 Cb 0.56 -1.42 0.82 0.00 -1.01 0.00 0.00 64.21 63.16 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 1.43 0.00 0.67 1.43 0.13 -1.92 -2.05 132.00 131.69 1uwd h PRO 95 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1uwd h PRO 95 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.47 1uwd h PRO 95 CO 0.56 0.04 -0.32 1.49 -0.23 0.00 0.00 178.00 179.54 1uwd h GLU 96 N 0.00 -0.86 -0.10 0.86 4.22 -2.00 -3.00 114.58 113.69 1uwd h GLU 96 Ca -0.00 0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.53 1uwd h GLU 96 Cb 0.36 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1uwd h GLU 96 CO 0.00 -0.58 0.08 -0.07 -2.18 0.00 0.00 179.01 176.27 1uwd h LEU 97 N -1.13 0.00 -0.39 1.64 3.38 -1.87 -1.40 115.31 115.55 1uwd h LEU 97 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1uwd h LEU 97 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1uwd h LEU 97 CO 0.15 0.00 0.17 0.03 0.09 0.00 0.00 178.44 178.88 1uwd h ARG 98 N 0.00 0.58 -0.34 1.13 3.08 -1.34 0.13 114.38 117.62 1uwd h ARG 98 Ca 0.05 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1uwd h ARG 98 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1uwd h ARG 98 CO -0.00 0.54 0.03 0.93 -1.07 0.00 0.00 179.97 180.40 1uwd h GLU 99 N 0.49 0.52 0.30 0.04 4.39 -1.16 -0.20 114.58 118.95 1uwd h GLU 99 Ca 0.13 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1uwd h GLU 99 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1uwd h GLU 99 CO -0.01 0.52 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.00 1uwd h LYS 100 N 0.50 -0.38 -0.84 2.33 3.64 -0.60 -3.34 116.57 117.87 1uwd h LYS 100 Ca 0.11 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1uwd h LYS 100 Cb 0.28 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1uwd h LYS 100 CO 0.01 -0.26 0.48 0.74 -2.27 0.00 0.00 179.45 178.15 1uwd h PHE 101 N -0.62 1.13 -1.49 1.91 -1.00 -0.83 -3.48 116.94 112.56 1uwd h PHE 101 Ca -0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1uwd h PHE 101 Cb 0.31 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1uwd h PHE 101 CO 0.06 0.77 0.00 0.41 -1.61 0.00 0.00 178.31 177.94 1uwd n GLY 102 N -1.21 0.56 0.17 -1.45 0.00 -0.18 -5.09 105.19 97.99 1uwd n GLY 102 Ca 0.09 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.75 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70