#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 1.53 0.18 6.12 0.01 -1.26 -5.17 113.70 115.11 1uwd s SER 3 Ca 0.00 -1.27 -0.03 0.00 1.31 0.00 0.00 55.95 55.96 1uwd s SER 3 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1uwd s SER 3 CO 0.00 -0.60 0.16 -0.54 0.41 0.00 0.00 173.24 172.68 1uwd s LYS 4 N -3.93 1.16 0.11 12.44 -0.14 -1.26 -4.91 119.74 123.21 1uwd s LYS 4 Ca 0.31 -1.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1uwd s LYS 4 Cb 0.07 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.51 1uwd s LYS 4 CO 0.09 -0.39 0.00 1.17 -0.76 0.00 0.00 175.35 175.47 1uwd n LYS 5 N -0.23 -2.17 -3.51 1.68 4.81 -1.26 -5.06 118.16 112.43 1uwd n LYS 5 Ca -0.01 1.54 -0.23 0.00 -0.87 0.00 0.00 58.31 58.74 1uwd n LYS 5 Cb 0.65 -1.99 -0.01 0.00 0.02 0.00 0.00 35.03 33.69 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 -0.66 5.14 0.19 3.15 1.01 -1.26 -5.06 120.40 122.91 1uwd s VAL 6 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1uwd s VAL 6 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1uwd s VAL 6 CO 0.00 -0.50 0.09 0.42 0.00 0.00 0.00 175.10 175.11 1uwd s THR 7 N -2.23 0.21 0.41 3.92 -4.23 -1.26 -4.96 115.64 107.50 1uwd s THR 7 Ca 0.39 -1.97 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1uwd s THR 7 Cb -0.10 -2.34 0.16 0.00 1.34 0.00 0.00 72.50 71.57 1uwd s THR 7 CO 0.34 -0.20 1.94 0.07 -0.54 0.00 0.00 174.62 176.23 1uwd h LYS 8 N 2.66 0.13 -0.67 3.99 2.10 -1.95 0.07 116.57 122.89 1uwd h LYS 8 Ca -0.36 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.30 1uwd h LYS 8 Cb 1.23 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.49 1uwd h LYS 8 CO 0.57 0.30 0.40 1.49 -2.00 0.00 0.00 179.45 180.21 1uwd h GLU 9 N 0.12 0.74 0.08 0.07 4.57 -1.96 -1.81 114.58 116.39 1uwd h GLU 9 Ca 0.02 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.90 1uwd h GLU 9 Cb 0.38 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1uwd h GLU 9 CO 0.02 0.49 -1.13 0.22 -1.18 0.00 0.00 179.01 177.43 1uwd h ASP 10 N 0.76 0.54 -0.06 1.04 1.82 -1.65 -1.51 116.42 117.36 1uwd h ASP 10 Ca 0.28 -0.51 -0.02 0.00 -0.39 0.00 0.00 57.03 56.39 1uwd h ASP 10 Cb 0.10 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1uwd h ASP 10 CO -0.14 1.35 -0.01 0.58 -1.61 0.00 0.00 179.24 179.41 1uwd h VAL 11 N 0.16 1.11 0.22 2.25 2.07 -0.89 0.62 116.25 121.79 1uwd h VAL 11 Ca -0.12 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1uwd h VAL 11 Cb 1.81 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1uwd h VAL 11 CO 0.20 0.14 -0.10 -0.07 0.02 0.00 0.00 177.57 177.75 1uwd h LEU 12 N 0.21 -0.25 -1.31 2.57 3.38 -1.16 -1.35 115.31 117.40 1uwd h LEU 12 Ca 0.05 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1uwd h LEU 12 Cb 0.17 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1uwd h LEU 12 CO 0.00 0.27 0.47 0.78 0.09 0.00 0.00 178.44 180.06 1uwd h ASN 13 N -0.92 0.79 -0.25 -0.43 2.35 -1.06 -1.10 115.58 114.97 1uwd h ASN 13 Ca -0.03 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.52 1uwd h ASN 13 Cb 0.49 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1uwd h ASN 13 CO 0.05 0.57 -0.56 0.00 -1.65 0.00 0.00 177.43 175.84 1uwd h ALA 14 N 1.57 0.48 0.00 -0.83 0.00 0.19 -3.04 119.26 117.62 1uwd h ALA 14 Ca 0.27 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1uwd h ALA 14 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1uwd h ALA 14 CO -0.06 0.68 -0.18 -0.07 0.00 0.00 0.00 179.25 179.62 1uwd h LEU 15 N 0.65 0.00 -1.82 0.00 3.38 -0.10 -2.96 115.31 114.46 1uwd h LEU 15 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uwd h LEU 15 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1uwd h LEU 15 CO 0.12 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.12 1uwd n LYS 16 N -4.01 0.20 0.00 1.13 5.02 -0.53 -1.98 118.16 118.00 1uwd n LYS 16 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1uwd n LYS 16 Cb 0.26 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1uwd n LYS 16 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uwd n ASN 17 N 0.81 2.27 -4.75 4.39 0.23 -1.12 -5.06 115.26 112.03 1uwd n ASN 17 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1uwd n ASN 17 Cb 0.09 0.44 0.05 0.00 -2.08 0.00 0.00 39.78 38.28 1uwd n ASN 17 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1uwd s VAL 18 N -0.94 2.58 -0.04 3.53 1.01 -0.84 -5.06 120.40 120.64 1uwd s VAL 18 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1uwd s VAL 18 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1uwd s VAL 18 CO 0.00 -0.10 -0.07 -0.63 0.00 0.00 0.00 175.10 174.30 1uwd s ILE 19 N -1.71 0.68 0.43 2.22 -1.09 -1.26 -4.20 121.20 116.27 1uwd s ILE 19 Ca 0.76 -0.24 -0.24 0.00 -2.23 0.00 0.00 60.65 58.70 1uwd s ILE 19 Cb -0.30 -0.65 -0.08 0.00 -1.58 0.00 0.00 42.46 39.85 1uwd s ILE 19 CO 0.36 0.24 1.13 1.51 -1.23 0.00 0.00 174.94 176.96 1uwd s ASP 20 N 0.61 6.43 0.00 3.58 1.47 -0.02 -4.92 116.67 123.81 1uwd s ASP 20 Ca -0.09 2.24 0.24 0.00 1.18 0.00 0.00 52.55 56.12 1uwd s ASP 20 Cb -0.12 -2.60 0.22 0.00 -0.34 0.00 0.00 42.92 40.08 1uwd s ASP 20 CO 0.01 -0.73 1.27 0.33 0.68 0.00 0.00 175.17 176.73 1uwd n PHE 21 N -0.22 0.00 -0.01 2.11 -0.00 -1.26 -1.90 117.46 116.18 1uwd n PHE 21 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1uwd n PHE 21 Cb 0.48 -0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.96 1uwd n PHE 21 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1uwd h GLU 22 N 4.26 0.00 0.09 -4.13 4.22 -1.97 -3.42 114.58 113.63 1uwd h GLU 22 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.18 1uwd h GLU 22 Cb 0.94 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.21 1uwd h GLU 22 CO 0.00 0.00 -1.08 1.25 -2.18 0.00 0.00 179.01 177.00 1uwd h LEU 23 N -0.10 0.80 0.00 1.64 7.12 -2.01 -3.49 115.31 119.27 1uwd h LEU 23 Ca 0.00 -0.81 0.00 0.00 0.13 0.00 0.00 57.88 57.20 1uwd h LEU 23 Cb 0.02 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 1uwd h LEU 23 CO 0.00 1.53 0.00 0.61 -0.13 0.00 0.00 178.44 180.45 1uwd n GLY 24 N 1.32 1.19 3.49 3.75 0.00 -0.80 -5.07 105.19 109.06 1uwd n GLY 24 Ca -0.13 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 2.05 0.26 0.99 1.98 -1.24 -4.84 118.68 117.87 1uwd s LEU 25 Ca 0.00 -1.54 -0.12 0.00 -2.89 0.00 0.00 54.13 49.58 1uwd s LEU 25 Cb 0.00 -0.23 -0.08 0.00 0.66 0.00 0.00 46.19 46.54 1uwd s LEU 25 CO 0.00 -0.79 0.61 1.51 -1.89 0.00 0.00 176.35 175.79 1uwd s ASP 26 N -3.55 6.69 0.39 3.68 -4.77 -1.26 -0.84 116.67 117.00 1uwd s ASP 26 Ca 0.29 1.06 0.10 0.00 -3.30 0.00 0.00 52.55 50.69 1uwd s ASP 26 Cb 0.05 -2.28 0.87 0.00 -1.09 0.00 0.00 42.92 40.48 1uwd s ASP 26 CO 0.14 -0.11 1.93 -0.37 0.70 0.00 0.00 175.17 177.47 1uwd h VAL 27 N 2.04 0.91 -0.14 2.11 -1.51 -1.82 -0.33 116.25 117.51 1uwd h VAL 27 Ca -0.47 -0.21 -0.14 0.00 -1.23 0.00 0.00 66.70 64.65 1uwd h VAL 27 Cb 1.17 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1uwd h VAL 27 CO 0.68 0.11 -0.52 0.58 -1.23 0.00 0.00 177.57 177.18 1uwd h VAL 28 N 0.61 1.34 -0.27 7.19 2.07 -1.90 -0.46 116.25 124.83 1uwd h VAL 28 Ca 0.35 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1uwd h VAL 28 Cb 0.54 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1uwd h VAL 28 CO -0.13 0.54 -0.01 0.28 0.02 0.00 0.00 177.57 178.27 1uwd h SER 29 N 0.30 0.48 0.04 0.57 0.02 -1.55 -2.57 113.55 110.85 1uwd h SER 29 Ca 0.01 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1uwd h SER 29 Cb 1.02 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1uwd h SER 29 CO 0.09 0.69 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 1uwd n LEU 30 N -4.59 0.00 -3.63 5.07 4.77 -0.28 -4.15 117.00 114.19 1uwd n LEU 30 Ca -0.03 0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 1uwd n LEU 30 Cb 0.26 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1uwd n LEU 30 CO 0.39 -0.28 0.14 0.61 -1.33 0.00 0.00 177.39 176.91 1uwd n GLY 31 N -1.14 -0.52 0.00 -0.72 0.00 -0.87 -4.17 105.19 97.76 1uwd n GLY 31 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.67 0.00 -3.13 0.99 4.77 -0.23 -4.81 117.00 109.91 1uwd n LEU 32 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1uwd n LEU 32 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1uwd n LEU 32 CO 0.66 -0.35 0.28 0.52 -1.33 0.00 0.00 177.39 177.18 1uwd n VAL 33 N -0.77 -9.55 0.00 4.08 0.31 -1.26 -4.89 118.33 106.26 1uwd n VAL 33 Ca 0.00 -0.28 -0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1uwd n VAL 33 Cb 0.00 -6.57 -0.00 0.00 -0.91 0.00 0.00 33.84 26.36 1uwd n VAL 33 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1uwd h TYR 34 N 0.30 -0.01 -3.69 3.52 0.05 -0.51 -3.47 116.97 113.17 1uwd h TYR 34 Ca -0.09 -0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.02 1uwd h TYR 34 Cb 1.05 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.61 1uwd h TYR 34 CO 0.21 -0.01 -0.78 0.34 -1.05 0.00 0.00 178.16 176.87 1uwd s ASP 35 N -2.08 4.03 -0.25 3.88 3.68 -1.10 -4.97 116.67 119.86 1uwd s ASP 35 Ca -0.00 -0.50 -0.02 0.00 2.13 0.00 0.00 52.55 54.16 1uwd s ASP 35 Cb 0.00 -0.64 0.12 0.00 -1.45 0.00 0.00 42.92 40.95 1uwd s ASP 35 CO 0.01 0.18 0.30 -0.63 0.13 0.00 0.00 175.17 175.16 1uwd s ILE 36 N -1.15 -0.45 -0.24 4.11 1.01 -1.26 -0.71 121.20 122.52 1uwd s ILE 36 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1uwd s ILE 36 Cb -0.11 -0.83 0.06 0.00 0.01 0.00 0.00 42.46 41.59 1uwd s ILE 36 CO 0.11 -0.26 -0.07 -1.10 0.00 0.00 0.00 174.94 173.61 1uwd s GLN 37 N 2.41 1.81 -0.31 2.79 -0.21 0.67 -4.82 119.66 122.00 1uwd s GLN 37 Ca 0.09 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.37 1uwd s GLN 37 Cb -0.15 -2.63 0.03 0.00 1.00 0.00 0.00 33.01 31.26 1uwd s GLN 37 CO -0.20 -0.57 0.07 0.42 -2.12 0.00 0.00 175.29 172.88 1uwd s ILE 38 N 1.33 3.67 0.88 1.08 -1.09 -1.26 -1.30 121.20 124.51 1uwd s ILE 38 Ca -0.06 -0.99 -0.12 0.00 -2.23 0.00 0.00 60.65 57.25 1uwd s ILE 38 Cb -0.19 -3.00 0.12 0.00 -1.58 0.00 0.00 42.46 37.82 1uwd s ILE 38 CO -0.06 -0.04 1.12 -0.62 -1.23 0.00 0.00 174.94 174.11 1uwd s ASP 39 N 1.41 3.72 0.45 3.58 2.15 -0.23 -4.91 116.67 122.85 1uwd s ASP 39 Ca -0.00 1.09 0.20 0.00 0.43 0.00 0.00 52.55 54.27 1uwd s ASP 39 Cb -0.18 -1.72 1.09 0.00 -0.30 0.00 0.00 42.92 41.80 1uwd s ASP 39 CO 0.02 -2.43 1.96 -0.78 -0.17 0.00 0.00 175.17 173.76 1uwd h ASP 40 N -1.41 0.00 0.00 -0.34 3.58 -1.98 0.08 116.42 116.34 1uwd h ASP 40 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1uwd h ASP 40 Cb 1.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1uwd h ASP 40 CO 0.61 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 177.19 1uwd n GLN 41 N -3.91 0.89 -4.16 0.28 3.00 -1.26 -4.85 117.38 107.36 1uwd n GLN 41 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 1uwd n GLN 41 Cb 0.31 -1.04 -0.04 0.00 0.00 0.00 0.00 30.24 29.47 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 -0.54 -1.77 -4.56 1.08 3.02 0.01 -4.58 115.26 107.93 1uwd n ASN 42 Ca 0.02 -1.05 -0.39 0.00 -0.03 0.00 0.00 54.58 53.12 1uwd n ASN 42 Cb 0.01 -2.66 -0.03 0.00 -0.61 0.00 0.00 39.78 36.49 1uwd n ASN 42 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uwd s ASN 43 N -3.77 5.25 -0.19 6.41 0.02 -1.25 -2.67 114.94 118.74 1uwd s ASN 43 Ca 0.42 0.66 -0.29 0.00 -1.02 0.00 0.00 52.86 52.63 1uwd s ASN 43 Cb -0.23 -2.52 -0.01 0.00 0.02 0.00 0.00 41.25 38.50 1uwd s ASN 43 CO 0.93 -2.33 1.27 -0.69 0.02 0.00 0.00 177.10 176.29 1uwd s VAL 44 N 9.18 4.26 -0.05 1.60 1.01 -0.61 -1.07 120.40 134.72 1uwd s VAL 44 Ca 0.75 1.51 0.04 0.00 0.00 0.00 0.00 61.98 64.29 1uwd s VAL 44 Cb -0.15 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1uwd s VAL 44 CO 0.24 -0.19 -0.19 -0.75 0.00 0.00 0.00 175.10 174.22 1uwd s LYS 45 N 3.60 2.02 -0.01 2.72 2.20 -0.42 -0.56 119.74 129.28 1uwd s LYS 45 Ca 0.55 -0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1uwd s LYS 45 Cb -0.21 -1.71 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1uwd s LYS 45 CO 0.16 0.25 0.02 0.08 -0.36 0.00 0.00 175.35 175.50 1uwd s VAL 46 N 0.07 -0.03 -0.44 4.02 1.01 -0.25 -0.23 120.40 124.55 1uwd s VAL 46 Ca -0.06 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1uwd s VAL 46 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1uwd s VAL 46 CO 0.03 0.04 0.68 -0.76 0.00 0.00 0.00 175.10 175.09 1uwd s LEU 47 N 0.47 4.43 0.45 3.92 1.02 0.11 -0.63 118.68 128.46 1uwd s LEU 47 Ca -0.04 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.87 1uwd s LEU 47 Cb -0.06 -2.80 -0.03 0.00 0.02 0.00 0.00 46.19 43.33 1uwd s LEU 47 CO -0.01 -0.82 0.04 0.00 0.02 0.00 0.00 176.35 175.58 1uwd s MET 48 N 2.96 2.04 0.18 1.70 0.23 -0.80 0.26 119.30 125.87 1uwd s MET 48 Ca 0.25 -2.26 -0.09 0.00 -1.03 0.00 0.00 55.69 52.56 1uwd s MET 48 Cb -0.14 -1.25 -0.01 0.00 -1.53 0.00 0.00 34.83 31.91 1uwd s MET 48 CO 0.20 -0.33 0.32 -0.08 -2.03 0.00 0.00 175.02 173.10 1uwd s THR 49 N -2.98 0.05 0.40 3.16 -1.32 -1.26 -2.24 115.64 111.45 1uwd s THR 49 Ca 0.18 -1.41 0.08 0.00 -1.21 0.00 0.00 61.69 59.32 1uwd s THR 49 Cb 0.04 -1.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.06 1uwd s THR 49 CO 0.09 -0.22 0.31 -0.32 -2.21 0.00 0.00 174.62 172.28 1uwd s MET 50 N -3.99 2.50 0.09 7.08 1.75 -1.26 -4.64 119.30 120.83 1uwd s MET 50 Ca 0.19 -1.55 -0.26 0.00 -1.25 0.00 0.00 55.69 52.82 1uwd s MET 50 Cb 0.03 -2.31 -0.13 0.00 2.84 0.00 0.00 34.83 35.26 1uwd s MET 50 CO 0.02 -0.11 1.68 0.00 -0.65 0.00 0.00 175.02 175.96 1uwd h THR 51 N 1.17 0.65 -3.87 10.11 1.03 -1.99 -3.44 112.91 116.57 1uwd h THR 51 Ca -0.42 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 65.87 1uwd h THR 51 Cb 1.26 0.65 -0.16 0.00 -1.07 0.00 0.00 68.15 68.83 1uwd h THR 51 CO 0.60 0.00 -0.48 0.42 -0.01 0.00 0.00 175.52 176.05 1uwd s THR 52 N -6.12 0.15 0.42 0.00 -4.23 -1.26 -4.80 115.64 99.79 1uwd s THR 52 Ca -0.15 -1.25 0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1uwd s THR 52 Cb 0.06 -1.20 0.16 0.00 1.34 0.00 0.00 72.50 72.86 1uwd s THR 52 CO 0.65 -0.69 1.94 1.55 -0.54 0.00 0.00 174.62 177.53 1uwd h PRO 53 N 3.17 0.09 -3.35 3.99 0.13 -1.95 -3.33 132.00 130.75 1uwd h PRO 53 Ca -0.33 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 1uwd h PRO 53 Cb 1.18 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.32 1uwd h PRO 53 CO 0.56 0.28 3.10 -0.12 -0.23 0.00 0.00 178.00 181.58 1uwd n MET 54 N -4.28 2.71 -3.96 0.86 0.00 -1.26 -4.90 117.12 106.28 1uwd n MET 54 Ca -0.02 -1.81 -0.32 0.00 0.00 0.00 0.00 57.70 55.56 1uwd n MET 54 Cb 0.27 -2.64 -0.05 0.00 0.00 0.00 0.00 33.22 30.80 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 3.42 0.00 -0.82 0.00 0.13 -1.97 -3.26 132.00 129.50 1uwd h PRO 56 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1uwd h PRO 56 Cb 1.17 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1uwd h PRO 56 CO 0.71 0.96 -1.12 1.47 -0.23 0.00 0.00 178.00 179.79 1uwd n LEU 57 N -3.34 1.23 -0.21 1.56 -0.00 -1.26 -5.02 117.00 109.97 1uwd n LEU 57 Ca -0.00 -3.55 -0.01 0.00 -0.00 0.00 0.00 56.01 52.45 1uwd n LEU 57 Cb 0.93 0.41 0.06 0.00 -0.00 0.00 0.00 43.42 44.83 1uwd n LEU 57 CO 0.47 1.48 0.75 0.00 -0.00 0.00 0.00 177.39 180.08 1uwd h ALA 58 N 2.84 0.43 -0.92 1.47 0.00 -1.93 -1.50 119.26 119.65 1uwd h ALA 58 Ca -0.12 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1uwd h ALA 58 Cb 1.21 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 1uwd h ALA 58 CO 0.39 -0.42 0.60 0.78 0.00 0.00 0.00 179.25 180.60 1uwd h GLY 59 N 0.01 1.35 0.89 0.00 0.00 -1.95 -0.30 103.07 103.06 1uwd h GLY 59 Ca 0.30 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1uwd h GLY 59 CO -0.63 0.29 -0.12 -0.33 0.00 0.00 0.00 176.54 175.75 1uwd h MET 60 N 1.02 -0.28 -0.76 4.80 2.07 -1.70 0.61 114.93 120.68 1uwd h MET 60 Ca 0.40 0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 58.05 1uwd h MET 60 Cb 0.23 0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.99 1uwd h MET 60 CO -0.16 -0.19 0.46 0.82 1.07 0.00 0.00 176.91 178.91 1uwd h ILE 61 N -0.29 1.22 -0.29 -1.22 2.04 -1.10 0.90 117.51 118.77 1uwd h ILE 61 Ca -0.01 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1uwd h ILE 61 Cb 0.26 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1uwd h ILE 61 CO -0.01 0.22 -0.25 -0.07 0.00 0.00 0.00 178.15 178.04 1uwd h LEU 62 N 1.04 0.57 -0.56 1.44 3.38 -0.92 -1.76 115.31 118.50 1uwd h LEU 62 Ca 0.27 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1uwd h LEU 62 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1uwd h LEU 62 CO -0.05 0.82 -0.39 -1.28 0.09 0.00 0.00 178.44 177.62 1uwd h SER 63 N 0.50 0.77 -0.55 -0.43 0.87 -0.12 -2.26 113.55 112.32 1uwd h SER 63 Ca 0.07 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1uwd h SER 63 Cb 0.70 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1uwd h SER 63 CO 0.05 1.07 0.36 0.44 -0.53 0.00 0.00 176.83 178.22 1uwd h ASP 64 N 0.59 0.62 -0.18 6.23 5.19 -0.57 0.56 116.42 128.87 1uwd h ASP 64 Ca 0.05 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.50 1uwd h ASP 64 Cb 0.93 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 1uwd h ASP 64 CO 0.09 0.45 -0.17 0.00 -3.12 0.00 0.00 179.24 176.48 1uwd h ALA 65 N 1.21 -0.06 -0.85 3.45 0.00 -1.18 -0.51 119.26 121.32 1uwd h ALA 65 Ca 0.21 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1uwd h ALA 65 Cb -0.07 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1uwd h ALA 65 CO -0.05 -0.61 0.55 1.49 0.00 0.00 0.00 179.25 180.63 1uwd h GLU 66 N -0.19 0.66 -0.42 0.00 4.81 -0.78 -1.91 114.58 116.75 1uwd h GLU 66 Ca 0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1uwd h GLU 66 Cb 0.36 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1uwd h GLU 66 CO -0.29 0.44 0.00 1.05 -0.73 0.00 0.00 179.01 179.48 1uwd h GLU 67 N 0.68 0.74 0.00 1.92 -0.00 0.65 0.21 114.58 118.78 1uwd h GLU 67 Ca 0.42 -0.23 -0.14 0.00 -0.00 0.00 0.00 59.36 59.40 1uwd h GLU 67 Cb 0.65 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.31 1uwd h GLU 67 CO -0.18 0.82 -0.67 0.00 -0.00 0.00 0.00 179.01 178.98 1uwd h ALA 68 N 0.90 0.79 0.02 1.06 0.00 -0.94 -3.02 119.26 118.08 1uwd h ALA 68 Ca 0.12 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1uwd h ALA 68 Cb 0.48 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1uwd h ALA 68 CO 0.02 0.84 -0.35 0.82 0.00 0.00 0.00 179.25 180.57 1uwd h ILE 69 N 0.00 1.56 0.00 0.00 2.04 -1.17 -3.31 117.51 116.63 1uwd h ILE 69 Ca -0.01 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1uwd h ILE 69 Cb 1.26 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 1uwd h ILE 69 CO 0.09 0.59 0.00 2.29 0.00 0.00 0.00 178.15 181.11 1uwd n LYS 70 N -4.42 0.00 0.00 2.37 2.85 0.71 -3.17 118.16 116.50 1uwd n LYS 70 Ca -0.11 0.22 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 1uwd n LYS 70 Cb 0.58 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.50 0.46 -0.16 -1.58 2.85 -1.14 -4.27 118.16 112.82 1uwd n LYS 71 Ca 0.04 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1uwd n LYS 71 Cb 0.19 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 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 -1.02 1.15 -3.50 0.58 5.41 -1.19 -4.84 119.36 115.94 1uwd n ILE 72 Ca 0.09 -0.16 -0.23 0.00 1.00 0.00 0.00 62.75 63.45 1uwd n ILE 72 Cb 0.35 -1.11 -0.06 0.00 -0.71 0.00 0.00 39.64 38.12 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 0.97 -0.88 0.00 0.38 0.28 -1.26 -3.63 120.64 116.49 1uwd n GLU 73 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1uwd n GLU 73 Cb 0.42 -2.61 0.00 0.00 1.43 0.00 0.00 31.44 30.67 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 -1.36 0.11 2.84 -1.84 0.00 -1.26 -4.85 105.19 98.83 1uwd n GLY 74 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.13 1.61 3.14 -1.24 -4.68 118.33 117.03 1uwd n VAL 75 Ca 0.00 -0.04 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 1uwd n VAL 75 Cb 0.00 -0.84 -0.03 0.00 -1.06 0.00 0.00 33.84 31.91 1uwd n VAL 75 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1uwd h ASN 76 N 6.90 -1.32 -4.07 6.55 -1.24 -1.75 -3.43 115.58 117.22 1uwd h ASN 76 Ca 0.02 0.21 -0.63 0.00 0.71 0.00 0.00 56.30 56.62 1uwd h ASN 76 Cb 0.09 0.59 -0.22 0.00 0.73 0.00 0.00 38.32 39.51 1uwd h ASN 76 CO 0.65 -0.35 -0.85 0.21 -1.29 0.00 0.00 177.43 175.80 1uwd s ASN 77 N -5.07 2.91 -0.50 1.15 2.47 -1.15 -5.03 114.94 109.72 1uwd s ASN 77 Ca -0.15 -0.70 0.04 0.00 0.42 0.00 0.00 52.86 52.47 1uwd s ASN 77 Cb 0.12 -0.19 0.16 0.00 -1.45 0.00 0.00 41.25 39.90 1uwd s ASN 77 CO 0.66 0.13 0.35 -0.69 -3.72 0.00 0.00 177.10 173.83 1uwd s VAL 78 N -1.07 1.33 -1.04 -5.21 1.01 -1.26 -1.57 120.40 112.58 1uwd s VAL 78 Ca 0.10 -3.03 -0.05 0.00 0.00 0.00 0.00 61.98 59.00 1uwd s VAL 78 Cb -0.10 -1.91 0.29 0.00 0.00 0.00 0.00 36.38 34.66 1uwd s VAL 78 CO 0.05 -1.07 1.23 -0.62 0.00 0.00 0.00 175.10 174.69 1uwd n GLU 79 N 2.85 3.82 -3.08 2.72 1.02 0.27 -4.98 120.64 123.28 1uwd n GLU 79 Ca 0.20 -4.52 -0.44 0.00 -0.02 0.00 0.00 57.16 52.38 1uwd n GLU 79 Cb 0.40 -2.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.27 1uwd n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uwd s VAL 80 N -2.11 4.74 0.24 2.62 1.01 -1.26 -1.09 120.40 124.55 1uwd s VAL 80 Ca 0.31 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1uwd s VAL 80 Cb -0.01 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1uwd s VAL 80 CO 0.01 -1.04 0.95 -0.70 0.00 0.00 0.00 175.10 174.32 1uwd s GLU 81 N 2.94 4.84 -0.65 2.72 2.12 0.20 -4.98 118.70 125.89 1uwd s GLU 81 Ca 0.16 1.52 0.02 0.00 0.36 0.00 0.00 54.97 57.02 1uwd s GLU 81 Cb -0.20 -3.27 0.16 0.00 0.26 0.00 0.00 34.13 31.07 1uwd s GLU 81 CO 0.10 0.49 0.44 -1.17 -0.54 0.00 0.00 175.26 174.58 1uwd s LEU 82 N -1.17 4.83 -0.09 2.70 2.96 -1.26 -1.90 118.68 124.75 1uwd s LEU 82 Ca 0.41 -3.36 -0.30 0.00 -0.22 0.00 0.00 54.13 50.67 1uwd s LEU 82 Cb -0.26 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1uwd s LEU 82 CO 0.33 -0.20 1.07 -0.89 -1.32 0.00 0.00 176.35 175.33 1uwd s THR 83 N -0.78 4.61 -0.26 3.68 2.01 -0.95 -4.91 115.64 119.05 1uwd s THR 83 Ca 0.21 1.89 0.07 0.00 0.31 0.00 0.00 61.69 64.17 1uwd s THR 83 Cb -0.15 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 1uwd s THR 83 CO -0.08 0.00 0.26 0.49 -0.69 0.00 0.00 174.62 174.61 1uwd n PHE 84 N 5.07 0.00 0.27 4.92 3.72 -1.26 -4.42 117.46 125.76 1uwd n PHE 84 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.34 1uwd n PHE 84 Cb 0.48 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.56 -4.12 4.37 3.45 -2.01 -3.45 116.42 114.10 1uwd h ASP 85 Ca 0.00 -0.04 -0.48 0.00 0.43 0.00 0.00 57.03 56.94 1uwd h ASP 85 Cb 0.19 0.14 0.05 0.00 -0.56 0.00 0.00 39.33 39.15 1uwd h ASP 85 CO 0.00 -0.30 0.39 -2.16 -1.57 0.00 0.00 179.24 175.59 1uwd s PRO 86 N -5.52 3.56 0.10 3.56 0.04 -1.26 -4.96 135.00 130.51 1uwd s PRO 86 Ca -0.16 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 1uwd s PRO 86 Cb 0.03 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1uwd s PRO 86 CO 0.59 -0.63 1.60 -1.25 0.04 0.00 0.00 177.00 177.34 1uwd s PRO 87 N -3.57 4.21 0.00 0.56 0.04 -1.26 -4.97 135.00 130.01 1uwd s PRO 87 Ca 0.66 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1uwd s PRO 87 Cb -0.17 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1uwd s PRO 87 CO 0.27 -0.67 0.21 1.87 0.04 0.00 0.00 177.00 178.72 1uwd n TRP 88 N 4.98 0.00 0.00 0.56 -0.00 -1.26 -5.06 117.44 116.65 1uwd n TRP 88 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1uwd n TRP 88 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.71 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 0.26 5.87 -1.04 -1.26 -4.99 114.28 112.80 1uwd n THR 89 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1uwd n THR 89 Cb 0.00 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 69.20 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 -1.97 -1.83 132.00 125.51 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 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 176.94 1uwd n GLU 91 N -4.37 0.75 -0.23 0.86 -0.00 -1.26 -2.90 120.64 113.49 1uwd n GLU 91 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.17 1uwd n GLU 91 Cb 0.10 -1.50 0.29 0.00 -0.00 0.00 0.00 31.44 30.33 1uwd n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1uwd h ARG 92 N 0.00 0.88 -6.92 3.44 3.08 -1.62 -3.43 114.38 109.81 1uwd h ARG 92 Ca 0.00 -0.05 -0.55 0.00 0.07 0.00 0.00 59.98 59.45 1uwd h ARG 92 Cb 0.12 -0.20 0.19 0.00 0.08 0.00 0.00 29.97 30.16 1uwd h ARG 92 CO 0.00 0.58 -0.05 -1.33 -1.07 0.00 0.00 179.97 178.10 1uwd n MET 93 N -4.47 0.28 -1.74 0.04 2.81 -1.14 -4.47 117.12 108.43 1uwd n MET 93 Ca 0.11 0.15 -0.39 0.00 -1.81 0.00 0.00 57.70 55.76 1uwd n MET 93 Cb 0.18 -2.13 0.03 0.00 -0.71 0.00 0.00 33.22 30.59 1uwd n MET 93 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1uwd n SER 94 N -1.67 2.71 0.24 7.83 3.41 -1.26 -4.83 113.62 120.06 1uwd n SER 94 Ca 0.12 1.02 0.10 0.00 -0.26 0.00 0.00 58.87 59.85 1uwd n SER 94 Cb 0.50 -1.56 0.57 0.00 -0.26 0.00 0.00 64.21 63.46 1uwd n SER 94 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1uwd h PRO 95 N 1.66 0.00 -0.59 4.33 0.13 -1.91 -1.37 132.00 134.25 1uwd h PRO 95 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1uwd h PRO 95 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1uwd h PRO 95 CO 0.58 0.20 0.07 0.93 -0.23 0.00 0.00 178.00 179.55 1uwd h GLU 96 N 0.00 0.97 -0.38 0.86 5.08 -2.01 -3.06 114.58 116.03 1uwd h GLU 96 Ca -0.00 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.97 1uwd h GLU 96 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1uwd h GLU 96 CO 0.03 0.91 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.57 1uwd h LEU 97 N 0.91 0.86 -0.12 1.33 3.38 -1.62 -2.64 115.31 117.40 1uwd h LEU 97 Ca 0.18 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1uwd h LEU 97 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1uwd h LEU 97 CO 0.01 1.09 -0.06 0.03 0.09 0.00 0.00 178.44 179.61 1uwd h ARG 98 N 0.70 -0.04 -0.22 1.13 3.08 -1.36 0.21 114.38 117.88 1uwd h ARG 98 Ca 0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 1uwd h ARG 98 Cb 0.85 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1uwd h ARG 98 CO 0.07 -0.03 -0.49 1.05 -1.07 0.00 0.00 179.97 179.50 1uwd h GLU 99 N -0.05 0.59 0.65 0.04 4.11 -1.61 -0.35 114.58 117.97 1uwd h GLU 99 Ca 0.07 -0.34 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 1uwd h GLU 99 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uwd h GLU 99 CO -0.15 0.95 -0.36 -0.22 0.07 0.00 0.00 179.01 179.29 1uwd h LYS 100 N 0.46 -0.90 0.00 1.06 3.64 -1.04 -3.21 116.57 116.58 1uwd h LYS 100 Ca 0.02 0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1uwd h LYS 100 Cb 1.03 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1uwd h LYS 100 CO 0.10 -0.60 -0.28 0.74 -2.27 0.00 0.00 179.45 177.14 1uwd h PHE 101 N -0.94 0.00 -2.80 1.91 -1.00 -0.63 -3.47 116.94 110.01 1uwd h PHE 101 Ca -0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 1uwd h PHE 101 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1uwd h PHE 101 CO -0.01 0.28 -0.00 0.41 -1.61 0.00 0.00 178.31 177.38 1uwd n GLY 102 N -0.31 0.82 0.00 -1.45 0.00 -0.29 -5.09 105.19 98.88 1uwd n GLY 102 Ca -0.01 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1uwd n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70