#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwo n GLU 2 N 0.00 0.00 0.19 -1.46 4.07 -1.26 -1.59 120.64 120.58 1uwo n GLU 2 Ca 0.00 0.18 0.13 0.00 -0.06 0.00 0.00 57.16 57.41 1uwo n GLU 2 Cb 0.00 -0.98 0.66 0.00 -0.06 0.00 0.00 31.44 31.06 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1uwo h LEU 3 N 0.00 0.00 0.03 4.31 4.07 -2.03 -1.36 115.31 120.34 1uwo h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uwo h LEU 3 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1uwo h LEU 3 CO 0.00 0.00 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.26 1uwo h GLU 4 N 0.00 -0.04 -0.09 1.13 4.57 -1.98 -0.53 114.58 117.63 1uwo h GLU 4 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1uwo h GLU 4 Cb 0.10 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1uwo h GLU 4 CO 0.00 -0.03 0.02 -0.22 -1.18 0.00 0.00 179.01 177.60 1uwo h LYS 5 N -0.11 0.05 0.23 1.92 3.64 -1.23 -2.48 116.57 118.59 1uwo h LYS 5 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1uwo h LYS 5 Cb 0.04 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1uwo h LYS 5 CO 0.01 0.04 -0.35 0.00 -2.27 0.00 0.00 179.45 176.87 1uwo h ALA 6 N 1.07 -0.68 -1.06 5.00 0.00 -1.39 -0.73 119.26 121.45 1uwo h ALA 6 Ca 0.04 -0.09 0.35 0.00 0.00 0.00 0.00 54.91 55.22 1uwo h ALA 6 Cb 0.03 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1uwo h ALA 6 CO -0.06 -0.93 0.62 1.98 0.00 0.00 0.00 179.25 180.86 1uwo h MET 7 N -0.66 0.23 -0.11 0.00 1.85 -0.88 0.52 114.93 115.89 1uwo h MET 7 Ca 0.00 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1uwo h MET 7 Cb 0.64 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 1uwo h MET 7 CO -0.14 0.15 0.06 0.28 -0.40 0.00 0.00 176.91 176.86 1uwo h VAL 8 N 0.24 1.08 0.78 -5.77 2.07 -0.68 -1.39 116.25 112.57 1uwo h VAL 8 Ca 0.76 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 68.04 1uwo h VAL 8 Cb 1.92 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1uwo h VAL 8 CO -0.57 0.07 -0.38 0.00 0.02 0.00 0.00 177.57 176.71 1uwo h ALA 9 N 0.98 -1.18 -1.06 1.67 0.00 0.35 -2.19 119.26 117.83 1uwo h ALA 9 Ca 0.04 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.08 1uwo h ALA 9 Cb 0.06 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 1uwo h ALA 9 CO -0.01 -1.11 0.62 -0.07 0.00 0.00 0.00 179.25 178.68 1uwo h LEU 10 N -1.14 0.42 0.14 0.00 -0.00 -1.22 0.46 115.31 113.98 1uwo h LEU 10 Ca -0.11 0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1uwo h LEU 10 Cb 0.80 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1uwo h LEU 10 CO 0.18 -0.20 -0.07 0.40 -0.00 0.00 0.00 178.44 178.75 1uwo h ILE 11 N 0.21 0.91 0.00 1.22 1.08 -0.88 -0.86 117.51 119.19 1uwo h ILE 11 Ca 0.77 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 1uwo h ILE 11 Cb 1.95 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1uwo h ILE 11 CO -0.60 0.04 0.04 -0.78 -0.69 0.00 0.00 178.15 176.17 1uwo h ASP 12 N -0.27 0.00 0.06 1.72 3.58 0.50 -2.18 116.42 119.82 1uwo h ASP 12 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1uwo h ASP 12 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1uwo h ASP 12 CO 0.03 0.00 -0.03 0.58 -2.88 0.00 0.00 179.24 176.94 1uwo h VAL 13 N 0.00 1.13 -0.17 2.25 2.07 -0.12 -0.19 116.25 121.22 1uwo h VAL 13 Ca 0.00 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 65.98 1uwo h VAL 13 Cb 0.09 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1uwo h VAL 13 CO 0.00 0.34 -0.11 0.15 0.02 0.00 0.00 177.57 177.98 1uwo h PHE 14 N -0.90 -0.26 0.46 1.57 3.57 -1.03 0.63 116.94 120.98 1uwo h PHE 14 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1uwo h PHE 14 Cb 0.62 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1uwo h PHE 14 CO 0.15 -0.16 -0.22 0.45 -2.23 0.00 0.00 178.31 176.30 1uwo h HIS 15 N -0.10 -0.57 -0.06 0.41 3.86 -1.61 -2.12 115.15 114.97 1uwo h HIS 15 Ca 0.10 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1uwo h HIS 15 Cb 0.25 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1uwo h HIS 15 CO -0.25 -0.35 -0.07 0.37 0.86 0.00 0.00 177.93 178.49 1uwo h GLN 16 N -0.78 -0.04 -1.43 2.45 5.75 -0.98 0.36 115.11 120.44 1uwo h GLN 16 Ca -0.06 0.00 0.44 0.00 -0.15 0.00 0.00 58.65 58.88 1uwo h GLN 16 Cb 0.47 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.92 1uwo h GLN 16 CO 0.10 -0.03 0.96 1.88 -2.65 0.00 0.00 178.83 179.09 1uwo h TYR 17 N -0.05 0.37 -0.57 3.99 0.05 -0.98 0.21 116.97 119.99 1uwo h TYR 17 Ca 0.01 0.02 -0.36 0.00 0.05 0.00 0.00 58.73 58.45 1uwo h TYR 17 Cb 0.07 -0.09 -0.13 0.00 1.01 0.00 0.00 36.73 37.59 1uwo h TYR 17 CO -0.65 -0.13 0.03 0.45 -1.05 0.00 0.00 178.16 176.81 1uwo n SER 18 N -4.48 5.90 -0.11 3.88 2.88 0.13 -4.17 113.62 117.64 1uwo n SER 18 Ca 0.37 -2.87 -0.19 0.00 -1.33 0.00 0.00 58.87 54.85 1uwo n SER 18 Cb 1.50 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1uwo n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uwo n GLY 19 N 1.63 -0.33 0.10 0.46 0.00 0.74 -3.17 105.19 104.63 1uwo n GLY 19 Ca 0.46 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.41 1uwo n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwo n ARG 20 N -3.51 0.61 -2.05 1.61 3.00 -1.26 -4.75 116.66 110.31 1uwo n ARG 20 Ca -0.41 0.17 -0.40 0.00 -0.01 0.00 0.00 57.85 57.21 1uwo n ARG 20 Cb 0.87 -1.82 -0.03 0.00 0.00 0.00 0.00 32.46 31.48 1uwo n ARG 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1uwo s GLU 21 N -3.13 2.82 0.65 5.56 -6.30 -1.26 -4.73 118.70 112.30 1uwo s GLU 21 Ca -0.02 0.78 0.00 0.00 -2.50 0.00 0.00 54.97 53.23 1uwo s GLU 21 Cb 0.09 -4.33 0.00 0.00 0.00 0.00 0.00 34.13 29.89 1uwo s GLU 21 CO 0.80 -2.50 0.00 0.41 0.02 0.00 0.00 175.26 174.00 1uwo n GLY 22 N 5.61 0.52 0.00 -1.50 0.00 -1.26 -3.41 105.19 105.14 1uwo n GLY 22 Ca 0.20 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1uwo n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwo n ASP 23 N 2.94 0.00 0.00 1.61 -0.08 -1.26 -5.02 116.55 114.74 1uwo n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1uwo n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1uwo n ASP 23 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1uwo n LYS 24 N -1.04 0.00 0.00 -0.67 2.85 -1.19 -4.14 118.16 113.96 1uwo n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uwo n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1uwo n HIS 25 N 0.00 0.00 -3.72 5.58 8.25 -1.26 -4.88 115.22 119.19 1uwo n HIS 25 Ca 0.00 -0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1uwo n HIS 25 Cb 0.00 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1uwo n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1uwo s LYS 26 N -0.10 0.90 -0.07 -0.41 0.00 -1.25 -4.71 119.74 114.10 1uwo s LYS 26 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 55.97 55.50 1uwo s LYS 26 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 37.83 38.14 1uwo s LYS 26 CO 0.00 -0.41 -0.15 -0.51 0.00 0.00 0.00 175.35 174.27 1uwo s LEU 27 N -2.99 1.78 0.64 2.77 1.43 -1.18 -4.67 118.68 116.45 1uwo s LEU 27 Ca 0.14 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 1uwo s LEU 27 Cb 0.01 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1uwo s LEU 27 CO 0.00 0.08 1.12 -0.75 0.23 0.00 0.00 176.35 177.02 1uwo s LYS 28 N 0.51 2.90 0.51 1.70 2.20 -1.26 -1.52 119.74 124.78 1uwo s LYS 28 Ca -0.14 1.44 0.44 0.00 -0.36 0.00 0.00 55.97 57.34 1uwo s LYS 28 Cb -0.16 -1.96 1.62 0.00 -1.51 0.00 0.00 37.83 35.83 1uwo s LYS 28 CO 0.05 -1.18 1.53 0.36 -0.36 0.00 0.00 175.35 175.75 1uwo n LYS 29 N -2.20 -0.01 -0.01 4.03 0.00 -1.24 0.14 118.16 118.86 1uwo n LYS 29 Ca 0.11 1.12 -0.16 0.00 -0.00 0.00 0.00 58.31 59.37 1uwo n LYS 29 Cb 0.52 -2.44 -0.12 0.00 -0.00 0.00 0.00 35.03 32.99 1uwo n LYS 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1uwo h SER 30 N 0.00 0.31 -0.82 -5.58 0.02 -1.93 -2.83 113.55 102.73 1uwo h SER 30 Ca 0.90 -0.80 0.13 0.00 -0.84 0.00 0.00 61.79 61.19 1uwo h SER 30 Cb 3.40 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 65.76 1uwo h SER 30 CO -0.16 1.07 0.41 -0.33 -1.14 0.00 0.00 176.83 176.68 1uwo h GLU 31 N -0.41 0.59 0.37 3.45 3.07 0.90 -1.18 114.58 121.38 1uwo h GLU 31 Ca -0.05 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1uwo h GLU 31 Cb 1.14 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1uwo h GLU 31 CO 0.07 0.39 -0.18 -0.07 -1.40 0.00 0.00 179.01 177.83 1uwo h LEU 32 N 0.61 -0.42 -1.58 1.33 3.38 -1.35 -1.82 115.31 115.46 1uwo h LEU 32 Ca 0.44 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.79 1uwo h LEU 32 Cb 0.59 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1uwo h LEU 32 CO -0.35 -0.30 1.13 0.50 0.09 0.00 0.00 178.44 179.52 1uwo h LYS 33 N -0.50 0.00 0.11 1.13 3.64 -1.21 0.59 116.57 120.32 1uwo h LYS 33 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1uwo h LYS 33 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1uwo h LYS 33 CO 0.08 0.00 -0.05 1.49 -2.27 0.00 0.00 179.45 178.70 1uwo h GLU 34 N 0.00 -0.14 -0.83 1.90 4.81 -0.37 0.53 114.58 120.48 1uwo h GLU 34 Ca 0.60 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.90 1uwo h GLU 34 Cb 2.86 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 32.21 1uwo h GLU 34 CO -0.01 0.18 0.50 -0.07 -0.73 0.00 0.00 179.01 178.89 1uwo h LEU 35 N -0.47 0.78 -0.01 1.64 4.07 0.54 0.11 115.31 121.97 1uwo h LEU 35 Ca -0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1uwo h LEU 35 Cb 0.39 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1uwo h LEU 35 CO 0.02 0.49 0.00 -0.38 -1.08 0.00 0.00 178.44 177.49 1uwo n ILE 36 N -4.66 0.52 0.58 1.22 5.41 -0.98 -2.38 119.36 119.06 1uwo n ILE 36 Ca 0.12 -0.24 0.12 0.00 1.00 0.00 0.00 62.75 63.75 1uwo n ILE 36 Cb 0.19 -0.58 0.15 0.00 -0.71 0.00 0.00 39.64 38.69 1uwo n ILE 36 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1uwo n ASN 37 N -2.16 0.68 -0.11 4.38 5.03 0.18 -0.57 115.26 122.69 1uwo n ASN 37 Ca 0.06 0.06 -0.14 0.00 0.87 0.00 0.00 54.58 55.42 1uwo n ASN 37 Cb 0.42 0.27 -0.14 0.00 -1.02 0.00 0.00 39.78 39.31 1uwo n ASN 37 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uwo n ASN 38 N -2.07 1.09 -0.00 6.41 5.03 -0.10 -4.36 115.26 121.26 1uwo n ASN 38 Ca 0.03 -0.06 0.05 0.00 0.87 0.00 0.00 54.58 55.47 1uwo n ASN 38 Cb 0.44 0.21 -0.06 0.00 -1.02 0.00 0.00 39.78 39.35 1uwo n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1uwo n GLU 39 N -3.03 3.61 -3.25 3.52 0.00 -1.00 -4.72 120.64 115.76 1uwo n GLU 39 Ca -0.40 -0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.52 1uwo n GLU 39 Cb 1.07 -0.98 -0.07 0.00 0.00 0.00 0.00 31.44 31.46 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1uwo n LEU 40 N -1.24 1.82 -0.00 4.31 4.32 0.26 -4.83 117.00 121.64 1uwo n LEU 40 Ca 0.02 -5.06 0.04 0.00 -0.02 0.00 0.00 56.01 50.98 1uwo n LEU 40 Cb 0.16 0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 42.03 1uwo n LEU 40 CO 0.21 2.11 -0.02 -1.20 -1.22 0.00 0.00 177.39 177.28 1uwo n SER 41 N 0.96 0.35 -0.03 -1.43 7.64 -1.22 -4.23 113.62 115.67 1uwo n SER 41 Ca 0.25 -0.68 -0.05 0.00 1.01 0.00 0.00 58.87 59.41 1uwo n SER 41 Cb 0.49 1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.67 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1uwo n HIS 42 N -1.17 0.00 -0.21 1.43 -0.00 -1.26 -3.88 115.22 110.12 1uwo n HIS 42 Ca 0.01 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.21 1uwo n HIS 42 Cb 0.12 -0.20 0.11 0.00 -0.12 0.00 0.00 29.99 29.90 1uwo n HIS 42 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1uwo h PHE 43 N -0.08 -0.01 -0.84 1.57 3.04 -1.90 -1.86 116.94 116.86 1uwo h PHE 43 Ca -0.12 0.05 -0.57 0.00 3.98 0.00 0.00 57.97 61.30 1uwo h PHE 43 Cb 1.15 0.10 -0.41 0.00 2.56 0.00 0.00 35.95 39.36 1uwo h PHE 43 CO -0.00 -0.16 -0.57 1.47 -2.02 0.00 0.00 178.31 177.03 1uwo n LEU 44 N -5.27 5.32 0.00 0.59 -0.00 -1.26 -4.93 117.00 111.45 1uwo n LEU 44 Ca 0.10 -4.72 0.00 0.00 -0.00 0.00 0.00 56.01 51.39 1uwo n LEU 44 Cb 0.37 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1uwo n LEU 44 CO 0.11 2.03 0.00 1.21 -0.00 0.00 0.00 177.39 180.73 1uwo n GLU 45 N -0.72 0.00 -0.98 1.47 2.13 -0.70 -1.04 120.64 120.80 1uwo n GLU 45 Ca 0.46 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.14 1uwo n GLU 45 Cb 0.90 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.57 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1uwo n GLU 46 N 0.00 1.82 -1.65 5.31 1.02 -1.26 -4.17 120.64 121.72 1uwo n GLU 46 Ca 0.00 -1.26 -0.20 0.00 -0.02 0.00 0.00 57.16 55.68 1uwo n GLU 46 Cb 0.00 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.63 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uwo n ILE 47 N 1.29 -0.08 -2.99 -3.67 2.08 -0.21 -2.23 119.36 113.56 1uwo n ILE 47 Ca 0.31 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.49 1uwo n ILE 47 Cb 0.64 -2.01 -0.01 0.00 -0.75 0.00 0.00 39.64 37.51 1uwo n ILE 47 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1uwo n LYS 48 N -2.46 -2.58 0.00 0.38 5.02 -1.25 0.06 118.16 117.33 1uwo n LYS 48 Ca -0.20 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1uwo n LYS 48 Cb 0.66 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.88 1uwo n LYS 48 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1uwo n GLU 49 N -3.04 0.00 0.00 1.97 2.13 -0.95 -4.21 120.64 116.55 1uwo n GLU 49 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1uwo n GLU 49 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1uwo n GLN 50 N 0.00 0.00 -0.00 5.31 6.02 0.11 -4.92 117.38 123.89 1uwo n GLN 50 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1uwo n GLN 50 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1uwo n GLU 51 N 0.00 0.01 0.12 -1.09 0.00 -0.52 -3.69 120.64 115.48 1uwo n GLU 51 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 57.16 57.48 1uwo n GLU 51 Cb 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 31.44 30.71 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1uwo h VAL 52 N -0.03 0.28 0.11 6.31 2.07 -1.96 -2.93 116.25 120.10 1uwo h VAL 52 Ca 0.00 -1.45 -0.27 0.00 0.82 0.00 0.00 66.70 65.80 1uwo h VAL 52 Cb 0.02 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1uwo h VAL 52 CO 0.00 0.16 -1.20 0.58 0.02 0.00 0.00 177.57 177.13 1uwo h VAL 53 N 0.00 1.44 0.02 2.57 2.07 -1.86 -1.46 116.25 119.03 1uwo h VAL 53 Ca -0.04 -2.84 -0.23 0.00 0.82 0.00 0.00 66.70 64.41 1uwo h VAL 53 Cb 1.20 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1uwo h VAL 53 CO 0.02 0.84 -0.99 -0.78 0.02 0.00 0.00 177.57 176.67 1uwo h ASP 54 N 0.13 0.52 -0.07 0.57 3.58 -1.66 -2.57 116.42 116.93 1uwo h ASP 54 Ca -0.14 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 56.78 1uwo h ASP 54 Cb 1.90 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.79 1uwo h ASP 54 CO 0.20 1.25 -0.34 0.50 -2.88 0.00 0.00 179.24 177.97 1uwo h LYS 55 N 0.20 0.35 -0.67 0.28 3.64 -1.58 -3.24 116.57 115.54 1uwo h LYS 55 Ca -0.09 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1uwo h LYS 55 Cb 1.64 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.49 1uwo h LYS 55 CO 0.17 0.93 0.44 -0.39 -2.27 0.00 0.00 179.45 178.33 1uwo h VAL 56 N -0.15 1.16 -1.49 2.00 -1.51 -1.34 -1.30 116.25 113.62 1uwo h VAL 56 Ca -0.02 -0.31 0.43 0.00 -1.23 0.00 0.00 66.70 65.57 1uwo h VAL 56 Cb 1.00 0.18 -0.06 0.00 -2.13 0.00 0.00 31.29 30.28 1uwo h VAL 56 CO 0.07 0.16 1.25 -0.03 -1.23 0.00 0.00 177.57 177.79 1uwo h MET 57 N 0.90 0.00 0.08 5.19 4.05 -1.48 1.15 114.93 124.82 1uwo h MET 57 Ca 0.25 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.49 1uwo h MET 57 Cb -0.08 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1uwo h MET 57 CO -0.06 0.00 -0.92 1.49 0.23 0.00 0.00 176.91 177.65 1uwo h GLU 58 N 0.00 0.17 0.28 0.39 4.22 -1.37 -3.20 114.58 115.07 1uwo h GLU 58 Ca 0.71 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 59.85 1uwo h GLU 58 Cb 3.20 0.11 0.00 0.00 0.50 0.00 0.00 28.75 32.56 1uwo h GLU 58 CO -0.01 1.14 -0.13 1.15 -2.18 0.00 0.00 179.01 178.98 1uwo h THR 59 N -0.58 0.00 -0.61 0.32 2.02 0.12 -3.31 112.91 110.87 1uwo h THR 59 Ca -0.20 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.82 1uwo h THR 59 Cb 1.49 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 1uwo h THR 59 CO 0.03 0.00 -0.36 0.18 0.37 0.00 0.00 175.52 175.74 1uwo n LEU 60 N -3.60 -0.65 -4.54 2.58 4.77 0.15 -3.67 117.00 112.03 1uwo n LEU 60 Ca -0.05 1.30 -0.34 0.00 -0.03 0.00 0.00 56.01 56.89 1uwo n LEU 60 Cb 0.15 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1uwo n LEU 60 CO 0.11 -0.99 1.98 -0.67 -1.33 0.00 0.00 177.39 176.49 1uwo n ASP 61 N -4.46 1.89 0.00 -1.43 -0.08 -1.21 -4.70 116.55 106.57 1uwo n ASP 61 Ca 0.01 -0.52 0.11 0.00 -1.51 0.00 0.00 54.79 52.88 1uwo n ASP 61 Cb 0.16 -1.48 0.00 0.00 2.34 0.00 0.00 41.12 42.14 1uwo n ASP 61 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1uwo n ASN 62 N 15.26 0.76 -0.10 1.67 4.13 -1.24 -4.39 115.26 131.36 1uwo n ASN 62 Ca 0.43 -0.63 -0.14 0.00 1.68 0.00 0.00 54.58 55.93 1uwo n ASN 62 Cb 0.45 0.81 -0.09 0.00 -1.54 0.00 0.00 39.78 39.41 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1uwo n ASP 63 N -1.61 2.46 0.00 6.41 5.75 -1.26 -5.10 116.55 123.20 1uwo n ASP 63 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1uwo n ASP 63 Cb 0.36 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uwo n GLY 64 N 2.54 0.21 0.00 6.12 0.00 -1.26 -5.05 105.19 107.74 1uwo n GLY 64 Ca -0.34 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1uwo n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 65 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.97 116.55 119.93 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwo n GLY 66 N 0.00 1.33 3.31 0.44 0.00 -1.26 -5.06 105.19 103.95 1uwo n GLY 66 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1uwo n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uwo s GLU 67 N -0.35 3.15 0.57 1.61 -1.05 -1.26 -3.60 118.70 117.77 1uwo s GLU 67 Ca 0.00 -0.80 -0.17 0.00 -0.15 0.00 0.00 54.97 53.85 1uwo s GLU 67 Cb 0.00 -3.21 -0.05 0.00 -0.44 0.00 0.00 34.13 30.44 1uwo s GLU 67 CO 0.00 -0.36 1.07 0.00 0.95 0.00 0.00 175.26 176.93 1uwo s ASP 69 N -2.38 4.31 0.13 0.00 1.11 -1.26 -3.12 116.67 115.45 1uwo s ASP 69 Ca 0.67 -1.22 -0.22 0.00 0.18 0.00 0.00 52.55 51.96 1uwo s ASP 69 Cb -0.18 -0.26 -0.03 0.00 1.07 0.00 0.00 42.92 43.52 1uwo s ASP 69 CO 0.32 -0.62 1.68 0.15 1.18 0.00 0.00 175.17 177.88 1uwo h PHE 70 N 1.42 -0.31 -0.64 4.23 3.04 -1.97 0.82 116.94 123.52 1uwo h PHE 70 Ca -0.43 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.55 1uwo h PHE 70 Cb 1.26 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.90 1uwo h PHE 70 CO 0.79 -0.19 0.42 -0.56 -2.02 0.00 0.00 178.31 176.76 1uwo h GLN 71 N -0.15 0.84 0.00 1.11 3.07 -2.00 0.99 115.11 118.97 1uwo h GLN 71 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1uwo h GLN 71 Cb 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1uwo h GLN 71 CO -0.21 0.56 0.00 0.39 0.09 0.00 0.00 178.83 179.66 1uwo n GLU 72 N -4.44 0.17 0.13 0.06 1.02 -0.46 -1.91 120.64 115.21 1uwo n GLU 72 Ca 0.07 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1uwo n GLU 72 Cb 0.04 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1uwo n GLU 72 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1uwo h PHE 73 N 0.00 -0.37 0.00 -0.32 3.57 0.32 -1.84 116.94 118.30 1uwo h PHE 73 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1uwo h PHE 73 Cb 0.65 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1uwo h PHE 73 CO 0.00 -0.23 -0.17 1.98 -2.23 0.00 0.00 178.31 177.65 1uwo h MET 74 N -1.07 0.00 -0.02 1.11 4.05 -1.57 -1.87 114.93 115.56 1uwo h MET 74 Ca -0.04 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 1uwo h MET 74 Cb 0.31 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1uwo h MET 74 CO 0.07 0.17 -0.50 0.00 0.23 0.00 0.00 176.91 176.88 1uwo h ALA 75 N 1.83 1.13 0.02 0.39 0.00 -1.40 -0.48 119.26 120.74 1uwo h ALA 75 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uwo h ALA 75 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1uwo h ALA 75 CO 0.02 0.64 -0.01 0.35 0.00 0.00 0.00 179.25 180.25 1uwo h PHE 76 N 0.04 -0.03 -1.03 0.00 3.04 -0.50 -2.15 116.94 116.31 1uwo h PHE 76 Ca -0.00 -0.00 0.26 0.00 3.98 0.00 0.00 57.97 62.21 1uwo h PHE 76 Cb 0.90 0.01 -0.09 0.00 2.56 0.00 0.00 35.95 39.33 1uwo h PHE 76 CO 0.00 -0.02 0.67 0.28 -2.02 0.00 0.00 178.31 177.23 1uwo h VAL 77 N -0.11 0.53 -0.52 1.41 2.07 -1.59 0.29 116.25 118.34 1uwo h VAL 77 Ca -0.00 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1uwo h VAL 77 Cb 0.02 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1uwo h VAL 77 CO 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.62 1uwo h ALA 78 N 1.61 0.94 -0.40 1.67 0.00 -1.16 -1.67 119.26 120.25 1uwo h ALA 78 Ca 0.58 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1uwo h ALA 78 Cb 1.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uwo h ALA 78 CO -0.28 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1uwo n MET 79 N -4.18 0.00 0.06 0.00 2.00 0.94 -1.53 117.12 114.42 1uwo n MET 79 Ca 0.02 0.43 0.19 0.00 0.00 0.00 0.00 57.70 58.34 1uwo n MET 79 Cb 0.35 -0.98 0.49 0.00 0.00 0.00 0.00 33.22 33.08 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1uwo h VAL 80 N 0.00 0.09 0.01 2.03 -1.51 -1.45 2.59 116.25 118.02 1uwo h VAL 80 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1uwo h VAL 80 Cb 0.00 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1uwo h VAL 80 CO 0.00 0.00 -0.01 0.74 -1.23 0.00 0.00 177.57 177.07 1uwo h THR 81 N 0.00 0.00 0.00 7.19 2.02 -1.35 -3.30 112.91 117.47 1uwo h THR 81 Ca 0.24 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1uwo h THR 81 Cb 1.92 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1uwo h THR 81 CO -0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 1uwo h THR 82 N -0.28 1.61 -1.69 3.16 1.03 -0.15 -3.08 112.91 113.50 1uwo h THR 82 Ca -0.00 -2.24 0.50 0.00 -0.01 0.00 0.00 66.41 64.67 1uwo h THR 82 Cb 0.01 3.07 -0.08 0.00 -1.07 0.00 0.00 68.15 70.08 1uwo h THR 82 CO 0.00 0.54 1.20 0.00 -0.01 0.00 0.00 175.52 177.26 1uwo n ALA 83 N -2.68 1.63 0.02 0.00 0.00 0.86 0.15 120.51 120.49 1uwo n ALA 83 Ca -0.11 0.63 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1uwo n ALA 83 Cb 0.46 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo h HIS 85 N -0.29 0.35 0.00 0.00 6.17 0.15 0.48 115.15 122.02 1uwo h HIS 85 Ca -0.29 0.01 -0.23 0.00 0.71 0.00 0.00 60.37 60.58 1uwo h HIS 85 Cb 1.77 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 31.56 1uwo h HIS 85 CO 0.13 0.01 -1.43 1.49 0.71 0.00 0.00 177.93 178.85 1uwo h GLU 86 N 0.19 0.00 -0.79 5.26 4.81 -1.52 -3.36 114.58 119.18 1uwo h GLU 86 Ca 0.60 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.98 1uwo h GLU 86 Cb 1.93 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 31.16 1uwo h GLU 86 CO -0.18 0.50 -0.22 0.35 -0.73 0.00 0.00 179.01 178.74 1uwo h PHE 87 N 0.00 -0.50 0.06 0.92 3.57 0.18 -1.80 116.94 119.38 1uwo h PHE 87 Ca -0.19 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1uwo h PHE 87 Cb 1.80 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.88 1uwo h PHE 87 CO 0.00 -0.35 -0.13 0.74 -2.23 0.00 0.00 178.31 176.34 1uwo h PHE 88 N -0.02 -0.38 -3.63 0.41 -1.00 -1.70 -3.42 116.94 107.22 1uwo h PHE 88 Ca 0.37 0.01 -0.42 0.00 2.81 0.00 0.00 57.97 60.73 1uwo h PHE 88 Cb 0.58 0.16 0.18 0.00 3.61 0.00 0.00 35.95 40.48 1uwo h PHE 88 CO -0.64 -0.16 0.17 -1.21 -1.61 0.00 0.00 178.31 174.86 1uwo s GLU 89 N -3.70 -0.76 -0.17 1.51 8.01 -0.68 -5.08 118.70 117.85 1uwo s GLU 89 Ca -0.04 -0.00 -0.13 0.00 0.01 0.00 0.00 54.97 54.81 1uwo s GLU 89 Cb 0.01 -1.64 0.05 0.00 -4.31 0.00 0.00 34.13 28.24 1uwo s GLU 89 CO 0.15 -3.42 0.43 -1.01 0.01 0.00 0.00 175.26 171.42 1uwo s HIS 90 N -3.08 -0.52 0.00 1.61 3.76 -1.26 -4.88 115.29 110.91 1uwo s HIS 90 Ca 0.70 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.82 1uwo s HIS 90 Cb -0.11 0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.78 1uwo s HIS 90 CO 0.56 -0.27 0.00 -0.85 -0.85 0.00 0.00 174.74 173.33