#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 -0.32 1.43 0.00 -1.26 -1.78 120.64 118.72 1uwo n GLU 2 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 57.16 57.51 1uwo n GLU 2 Cb 0.00 -0.22 0.74 0.00 0.00 0.00 0.00 31.44 31.96 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 3 N 0.00 0.00 0.22 -1.84 4.07 -2.05 -0.63 115.31 115.08 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 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1uwo h LEU 3 CO 0.00 0.00 -0.51 -0.33 -1.08 0.00 0.00 178.44 176.52 1uwo h GLU 4 N 0.00 -0.77 -0.32 1.13 5.08 -1.99 0.80 114.58 118.51 1uwo h GLU 4 Ca 0.56 0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.90 1uwo h GLU 4 Cb 2.36 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 31.77 1uwo h GLU 4 CO -0.01 -0.51 -0.13 0.87 -1.00 0.00 0.00 179.01 178.23 1uwo h LYS 5 N -0.80 0.55 0.00 2.33 1.57 -0.32 -1.07 116.57 118.84 1uwo h LYS 5 Ca -0.02 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1uwo h LYS 5 Cb 0.77 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1uwo h LYS 5 CO -0.22 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 1uwo n ALA 6 N -2.48 1.66 -0.08 3.86 0.00 -0.63 -2.21 120.51 120.63 1uwo n ALA 6 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1uwo n ALA 6 Cb 0.34 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 1uwo n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1uwo h MET 7 N 0.00 0.07 0.00 0.00 1.85 0.19 -2.29 114.93 114.75 1uwo h MET 7 Ca 0.00 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 58.94 1uwo h MET 7 Cb 0.27 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 1uwo h MET 7 CO 0.00 1.05 -0.17 0.28 -0.40 0.00 0.00 176.91 177.68 1uwo h VAL 8 N -0.74 0.84 0.00 -5.77 2.07 -1.37 -1.33 116.25 109.94 1uwo h VAL 8 Ca -0.37 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1uwo h VAL 8 Cb 1.48 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1uwo h VAL 8 CO -0.14 0.16 -0.35 0.00 0.02 0.00 0.00 177.57 177.27 1uwo h ALA 9 N 1.83 0.03 -1.05 1.67 0.00 -1.58 -2.54 119.26 117.62 1uwo h ALA 9 Ca -0.00 -0.38 0.28 0.00 0.00 0.00 0.00 54.91 54.80 1uwo h ALA 9 Cb 0.36 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1uwo h ALA 9 CO 0.02 0.30 0.70 -0.07 0.00 0.00 0.00 179.25 180.20 1uwo h LEU 10 N -1.00 0.30 0.01 0.00 3.38 -1.41 0.64 115.31 117.23 1uwo h LEU 10 Ca -0.03 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1uwo h LEU 10 Cb 0.43 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1uwo h LEU 10 CO -0.02 0.06 -0.43 -0.29 0.09 0.00 0.00 178.44 177.86 1uwo h ILE 11 N 0.27 1.50 -0.06 1.22 2.10 -1.37 -2.57 117.51 118.60 1uwo h ILE 11 Ca 0.56 -2.05 0.02 0.00 1.08 0.00 0.00 64.86 64.47 1uwo h ILE 11 Cb 1.68 2.74 -0.00 0.00 -1.09 0.00 0.00 36.82 40.15 1uwo h ILE 11 CO -0.20 0.58 0.26 0.44 -1.08 0.00 0.00 178.15 178.15 1uwo h ASP 12 N -0.34 0.00 0.14 2.19 5.19 -0.45 -1.02 116.42 122.14 1uwo h ASP 12 Ca -0.06 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.99 1uwo h ASP 12 Cb 1.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1uwo h ASP 12 CO 0.08 0.00 -1.98 0.55 -3.12 0.00 0.00 179.24 174.77 1uwo n VAL 13 N -3.13 1.78 -0.31 -1.35 3.14 -0.70 -2.18 118.33 115.59 1uwo n VAL 13 Ca -0.01 -0.66 0.06 0.00 -2.96 0.00 0.00 64.34 60.77 1uwo n VAL 13 Cb 0.33 -1.72 0.21 0.00 -1.06 0.00 0.00 33.84 31.61 1uwo n VAL 13 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1uwo h PHE 14 N 0.07 0.88 0.12 1.45 3.57 -0.77 -1.35 116.94 120.91 1uwo h PHE 14 Ca -0.42 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 60.93 1uwo h PHE 14 Cb 2.04 -0.26 0.02 0.00 2.79 0.00 0.00 35.95 40.53 1uwo h PHE 14 CO 0.08 0.30 -0.78 1.25 -2.23 0.00 0.00 178.31 176.92 1uwo h HIS 15 N 0.76 0.56 -1.06 0.41 2.76 -1.63 -0.31 115.15 116.64 1uwo h HIS 15 Ca 0.45 -0.39 0.34 0.00 -2.20 0.00 0.00 60.37 58.57 1uwo h HIS 15 Cb 0.53 -0.03 -0.14 0.00 1.55 0.00 0.00 27.41 29.31 1uwo h HIS 15 CO -0.06 1.28 0.63 0.37 -1.30 0.00 0.00 177.93 178.85 1uwo h GLN 16 N -0.32 0.26 0.00 5.26 4.15 -0.88 -3.21 115.11 120.37 1uwo h GLN 16 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1uwo h GLN 16 Cb 1.59 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1uwo h GLN 16 CO 0.15 0.17 0.00 0.66 -1.93 0.00 0.00 178.83 177.88 1uwo n TYR 17 N -4.96 0.00 -2.14 3.99 4.01 -0.57 -4.63 117.16 112.86 1uwo n TYR 17 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1uwo n TYR 17 Cb 1.07 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1uwo n TYR 17 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1uwo n SER 18 N -1.43 -0.78 -1.45 7.72 3.41 -0.13 0.86 113.62 121.82 1uwo n SER 18 Ca 0.00 0.39 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1uwo n SER 18 Cb 0.00 -0.86 0.01 0.00 -0.26 0.00 0.00 64.21 63.10 1uwo n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwo n GLY 19 N -0.39 0.37 0.69 5.00 0.00 0.01 -1.30 105.19 109.56 1uwo n GLY 19 Ca 0.00 -0.35 0.50 0.00 0.00 0.00 0.00 46.02 46.17 1uwo n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uwo h ARG 20 N -0.27 0.00 -3.89 1.61 3.08 0.33 -2.88 114.38 112.37 1uwo h ARG 20 Ca -0.09 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 59.18 1uwo h ARG 20 Cb 1.05 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.85 1uwo h ARG 20 CO 0.08 0.00 0.36 -1.21 -1.07 0.00 0.00 179.97 178.13 1uwo s GLU 21 N -4.82 3.85 0.00 0.04 2.02 -1.26 -4.69 118.70 113.83 1uwo s GLU 21 Ca -0.05 -2.69 0.00 0.00 0.02 0.00 0.00 54.97 52.25 1uwo s GLU 21 Cb 0.25 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.93 1uwo s GLU 21 CO 0.85 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1uwo n GLY 22 N 3.64 0.22 0.70 -1.39 0.00 -1.08 -5.06 105.19 102.22 1uwo n GLY 22 Ca 0.20 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -3.81 -3.13 1.61 -0.08 -1.26 -4.80 116.55 105.09 1uwo n ASP 23 Ca 0.00 0.78 -0.21 0.00 -1.51 0.00 0.00 54.79 53.86 1uwo n ASP 23 Cb 0.00 -2.08 -0.03 0.00 2.34 0.00 0.00 41.12 41.34 1uwo n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1uwo n LYS 24 N -2.56 1.56 0.00 -0.67 5.02 -1.21 -3.97 118.16 116.34 1uwo n LYS 24 Ca -0.02 -3.77 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 1uwo n LYS 24 Cb 0.27 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1uwo n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1uwo n HIS 25 N 0.19 0.00 -4.15 2.13 -0.00 -0.42 -4.82 115.22 108.15 1uwo n HIS 25 Ca 0.26 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.34 1uwo n HIS 25 Cb 0.58 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.36 1uwo n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1uwo s LYS 26 N -1.48 1.07 0.64 1.57 -2.85 -1.13 -4.76 119.74 112.80 1uwo s LYS 26 Ca 0.00 -1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 53.44 1uwo s LYS 26 Cb 0.00 0.27 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1uwo s LYS 26 CO 0.00 -0.34 0.91 -0.51 0.10 0.00 0.00 175.35 175.51 1uwo s LEU 27 N -3.09 3.02 -0.41 2.77 1.43 -1.26 -0.81 118.68 120.33 1uwo s LEU 27 Ca 0.30 0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1uwo s LEU 27 Cb 0.07 -2.99 0.24 0.00 0.03 0.00 0.00 46.19 43.54 1uwo s LEU 27 CO 0.06 -1.40 0.51 2.29 0.23 0.00 0.00 176.35 178.04 1uwo n LYS 28 N -2.67 0.75 0.00 1.70 2.85 -1.26 -1.69 118.16 117.84 1uwo n LYS 28 Ca 0.08 -3.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.05 1uwo n LYS 28 Cb 0.60 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1uwo n LYS 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1uwo n LYS 29 N 1.54 0.00 -0.32 -1.58 3.00 -1.26 -4.03 118.16 115.51 1uwo n LYS 29 Ca 0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.49 1uwo n LYS 29 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.54 1uwo n LYS 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1uwo h SER 30 N 0.00 -1.52 -0.83 3.14 4.64 -1.99 0.71 113.55 117.70 1uwo h SER 30 Ca 0.00 0.29 0.21 0.00 -0.47 0.00 0.00 61.79 61.81 1uwo h SER 30 Cb 0.00 0.75 -0.14 0.00 -0.31 0.00 0.00 62.40 62.70 1uwo h SER 30 CO 0.00 -0.29 0.14 -0.33 -0.87 0.00 0.00 176.83 175.48 1uwo h GLU 31 N -0.08 0.16 0.04 4.77 4.39 -1.95 -1.40 114.58 120.52 1uwo h GLU 31 Ca 0.26 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1uwo h GLU 31 Cb 0.56 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1uwo h GLU 31 CO -0.87 0.11 -0.09 -0.07 -1.16 0.00 0.00 179.01 176.93 1uwo h LEU 32 N 0.17 -0.27 -1.73 1.33 3.38 0.11 -0.14 115.31 118.16 1uwo h LEU 32 Ca 0.49 0.03 0.51 0.00 0.09 0.00 0.00 57.88 59.00 1uwo h LEU 32 Cb 0.94 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 1uwo h LEU 32 CO -0.66 -0.10 1.23 0.29 0.09 0.00 0.00 178.44 179.28 1uwo n LYS 33 N -2.94 -0.01 0.08 1.13 5.02 -0.57 -0.69 118.16 120.18 1uwo n LYS 33 Ca -0.02 1.02 -0.03 0.00 -2.02 0.00 0.00 58.31 57.27 1uwo n LYS 33 Cb 0.08 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 32.77 1uwo n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1uwo h GLU 34 N 0.00 -0.20 -0.89 1.97 4.39 -0.54 -1.98 114.58 117.33 1uwo h GLU 34 Ca 0.86 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.81 1uwo h GLU 34 Cb 3.33 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 31.88 1uwo h GLU 34 CO -0.08 -0.13 0.13 -0.07 -1.16 0.00 0.00 179.01 177.69 1uwo h LEU 35 N -0.29 -0.22 0.34 1.33 3.38 -0.52 0.84 115.31 120.16 1uwo h LEU 35 Ca -0.02 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1uwo h LEU 35 Cb 0.16 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1uwo h LEU 35 CO 0.03 -0.24 -0.42 0.40 0.09 0.00 0.00 178.44 178.31 1uwo h ILE 36 N 0.11 0.00 -0.10 1.22 1.08 -1.34 1.00 117.51 119.49 1uwo h ILE 36 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.02 1uwo h ILE 36 Cb 1.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1uwo h ILE 36 CO -0.75 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 177.30 1uwo n ASN 37 N -4.90 1.37 -0.35 1.72 5.03 -0.24 -2.32 115.26 115.57 1uwo n ASN 37 Ca -0.09 -2.10 0.00 0.00 0.87 0.00 0.00 54.58 53.26 1uwo n ASN 37 Cb 0.37 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 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 0.01 0.00 0.00 6.41 4.13 0.28 -4.80 115.26 121.29 1uwo n ASN 38 Ca 0.04 -1.62 0.00 0.00 1.68 0.00 0.00 54.58 54.68 1uwo n ASN 38 Cb 0.30 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1uwo n GLU 39 N 0.00 0.00 0.02 3.52 -0.00 0.33 -4.82 120.64 119.70 1uwo n GLU 39 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.14 1uwo n GLU 39 Cb 0.62 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.44 32.01 1uwo n GLU 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 40 N 0.00 -0.16 0.00 -1.84 -0.00 -1.36 -3.49 115.31 108.47 1uwo h LEU 40 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1uwo h LEU 40 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1uwo h LEU 40 CO 0.00 -0.07 0.00 -1.54 -0.00 0.00 0.00 178.44 176.83 1uwo n SER 41 N -2.67 0.00 -1.37 -0.43 3.41 -1.26 -4.90 113.62 106.40 1uwo n SER 41 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1uwo n SER 41 Cb 0.05 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.19 1uwo n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwo n HIS 42 N 0.00 1.28 -2.12 7.33 1.44 -1.26 -4.84 115.22 117.05 1uwo n HIS 42 Ca 0.00 -0.61 -0.18 0.00 -2.01 0.00 0.00 57.72 54.92 1uwo n HIS 42 Cb 0.00 -0.40 -0.03 0.00 0.12 0.00 0.00 29.99 29.68 1uwo n HIS 42 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1uwo n PHE 43 N 0.16 -0.63 -1.94 -1.40 3.01 -1.26 -2.02 117.46 113.38 1uwo n PHE 43 Ca 0.20 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.60 1uwo n PHE 43 Cb 0.87 -3.47 -0.01 0.00 -0.01 0.00 0.00 39.48 36.85 1uwo n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1uwo n LEU 44 N -2.48 -0.48 -2.09 4.37 7.99 -1.26 0.63 117.00 123.69 1uwo n LEU 44 Ca -0.21 0.27 -0.09 0.00 -0.01 0.00 0.00 56.01 55.98 1uwo n LEU 44 Cb 0.65 -1.37 0.04 0.00 -0.11 0.00 0.00 43.42 42.63 1uwo n LEU 44 CO 0.26 -0.16 0.06 -0.62 -1.51 0.00 0.00 177.39 175.43 1uwo n GLU 45 N -2.12 -3.21 -3.03 3.23 1.02 -0.86 -2.78 120.64 112.89 1uwo n GLU 45 Ca -0.06 0.39 -0.13 0.00 -0.02 0.00 0.00 57.16 57.33 1uwo n GLU 45 Cb 0.40 -4.06 -0.02 0.00 -0.02 0.00 0.00 31.44 27.74 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1uwo n GLU 46 N -2.48 -2.51 -2.86 3.49 2.13 0.21 -3.07 120.64 115.55 1uwo n GLU 46 Ca -0.11 0.17 -0.02 0.00 0.66 0.00 0.00 57.16 57.86 1uwo n GLU 46 Cb 0.57 -4.72 -0.02 0.00 0.27 0.00 0.00 31.44 27.53 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1uwo n ILE 47 N -3.13 -7.13 -0.50 6.31 5.41 -1.12 -4.60 119.36 114.61 1uwo n ILE 47 Ca 0.00 1.40 0.42 0.00 1.00 0.00 0.00 62.75 65.57 1uwo n ILE 47 Cb 0.51 -4.66 0.70 0.00 -0.71 0.00 0.00 39.64 35.48 1uwo n ILE 47 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1uwo h LYS 48 N 4.37 0.00 0.00 0.38 2.10 -1.73 -3.40 116.57 118.30 1uwo h LYS 48 Ca -0.24 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1uwo h LYS 48 Cb 0.64 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1uwo h LYS 48 CO 0.01 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 176.62 1uwo n GLU 49 N -4.65 0.00 0.00 0.07 0.28 -1.26 -5.01 120.64 110.06 1uwo n GLU 49 Ca 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1uwo n GLU 49 Cb 1.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.49 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1uwo n GLN 50 N 0.00 0.00 0.00 3.44 6.02 -1.26 -4.94 117.38 120.64 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 0.00 0.10 -1.09 0.00 -1.26 -3.71 120.64 114.68 1uwo n GLU 51 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 57.16 57.45 1uwo n GLU 51 Cb 0.00 -0.73 -0.00 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 0.00 0.40 0.05 6.31 2.07 -1.96 -1.72 116.25 121.40 1uwo h VAL 52 Ca 0.00 -1.67 -0.25 0.00 0.82 0.00 0.00 66.70 65.60 1uwo h VAL 52 Cb 0.00 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1uwo h VAL 52 CO 0.00 0.23 -1.22 0.58 0.02 0.00 0.00 177.57 177.18 1uwo h VAL 53 N 0.00 1.49 0.00 2.57 2.07 -1.97 -0.47 116.25 119.94 1uwo h VAL 53 Ca -0.06 -3.16 -0.25 0.00 0.82 0.00 0.00 66.70 64.05 1uwo h VAL 53 Cb 1.31 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.85 1uwo h VAL 53 CO 0.03 0.88 -1.62 -0.67 0.02 0.00 0.00 177.57 176.21 1uwo n ASP 54 N -3.38 0.83 0.01 0.57 2.03 -1.24 -2.74 116.55 112.63 1uwo n ASP 54 Ca -0.06 0.39 -0.22 0.00 0.52 0.00 0.00 54.79 55.41 1uwo n ASP 54 Cb 0.99 0.07 -0.14 0.00 -0.72 0.00 0.00 41.12 41.32 1uwo n ASP 54 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1uwo h LYS 55 N 0.00 0.26 0.00 -0.67 1.63 -1.41 -3.36 116.57 113.03 1uwo h LYS 55 Ca -0.25 -0.45 -0.14 0.00 -0.85 0.00 0.00 60.65 58.96 1uwo h LYS 55 Cb 1.85 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.63 1uwo h LYS 55 CO 0.06 1.21 -0.68 -0.24 -3.45 0.00 0.00 179.45 176.36 1uwo h VAL 56 N -0.18 1.47 -1.01 2.00 3.04 -1.24 -3.10 116.25 117.24 1uwo h VAL 56 Ca -0.35 -2.36 0.23 0.00 -1.01 0.00 0.00 66.70 63.22 1uwo h VAL 56 Cb 1.87 2.28 -0.11 0.00 -2.01 0.00 0.00 31.29 33.31 1uwo h VAL 56 CO 0.07 0.67 0.61 -0.03 -1.01 0.00 0.00 177.57 177.88 1uwo h MET 57 N 0.00 0.58 0.00 4.17 1.85 -1.62 0.38 114.93 120.30 1uwo h MET 57 Ca -0.01 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 1uwo h MET 57 Cb 1.22 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.12 1uwo h MET 57 CO 0.09 0.39 -0.20 1.49 -0.40 0.00 0.00 176.91 178.28 1uwo h GLU 58 N 0.60 0.12 0.00 0.39 4.81 -1.70 -3.11 114.58 115.70 1uwo h GLU 58 Ca 0.62 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1uwo h GLU 58 Cb 1.18 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1uwo h GLU 58 CO -0.42 0.91 0.00 -2.37 -0.73 0.00 0.00 179.01 176.41 1uwo n THR 59 N -4.54 1.32 -0.07 0.32 5.66 -0.55 -2.77 114.28 113.65 1uwo n THR 59 Ca -0.10 0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 61.11 1uwo n THR 59 Cb 0.49 -1.18 -0.09 0.00 -1.55 0.00 0.00 70.33 68.00 1uwo n THR 59 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1uwo h LEU 60 N 0.00 0.00 -8.08 1.09 3.38 -0.23 -3.40 115.31 108.07 1uwo h LEU 60 Ca 0.00 -0.62 -0.49 0.00 0.09 0.00 0.00 57.88 56.86 1uwo h LEU 60 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1uwo h LEU 60 CO 0.00 0.97 1.35 -1.81 0.09 0.00 0.00 178.44 179.05 1uwo s ASP 61 N -6.17 5.98 -0.19 -0.43 1.01 -1.11 -4.53 116.67 111.23 1uwo s ASP 61 Ca -0.17 -1.44 0.04 0.00 0.71 0.00 0.00 52.55 51.70 1uwo s ASP 61 Cb -0.00 -2.57 0.39 0.00 1.01 0.00 0.00 42.92 41.75 1uwo s ASP 61 CO 0.49 -2.00 1.35 0.59 0.21 0.00 0.00 175.17 175.81 1uwo n ASN 62 N 10.96 3.46 0.00 0.27 3.02 -1.26 -3.82 115.26 127.90 1uwo n ASN 62 Ca 0.39 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 1uwo n ASN 62 Cb 0.48 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1uwo n ASP 63 N -0.07 4.55 -0.87 6.41 2.03 -1.26 -5.10 116.55 122.24 1uwo n ASP 63 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1uwo n ASP 63 Cb 0.97 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwo n GLY 64 N 2.66 -1.67 0.00 0.27 0.00 -1.25 -5.03 105.19 100.18 1uwo n GLY 64 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1uwo n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwo n ASP 65 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.97 116.55 111.84 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 66 N 0.00 2.40 3.76 0.27 0.00 -1.26 -5.07 105.19 105.29 1uwo n GLY 66 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1uwo n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwo s GLU 67 N -0.30 4.55 0.98 1.61 0.41 -1.26 -4.44 118.70 120.25 1uwo s GLU 67 Ca 0.00 1.15 -0.13 0.00 -0.41 0.00 0.00 54.97 55.58 1uwo s GLU 67 Cb 0.00 -3.32 0.18 0.00 -1.78 0.00 0.00 34.13 29.20 1uwo s GLU 67 CO 0.00 0.39 1.11 0.00 -0.49 0.00 0.00 175.26 176.27 1uwo s ASP 69 N -3.71 0.95 0.04 0.00 -4.77 -1.26 -4.14 116.67 103.78 1uwo s ASP 69 Ca 0.65 -1.44 -0.28 0.00 -3.30 0.00 0.00 52.55 48.19 1uwo s ASP 69 Cb -0.17 0.30 -0.15 0.00 -1.09 0.00 0.00 42.92 41.81 1uwo s ASP 69 CO 0.56 -0.82 1.34 0.15 0.70 0.00 0.00 175.17 177.11 1uwo h PHE 70 N 2.41 -0.92 -1.06 2.11 3.04 -1.97 -0.35 116.94 120.20 1uwo h PHE 70 Ca -0.36 -0.02 0.31 0.00 3.98 0.00 0.00 57.97 61.88 1uwo h PHE 70 Cb 1.25 0.30 -0.04 0.00 2.56 0.00 0.00 35.95 40.02 1uwo h PHE 70 CO 0.60 -0.57 0.84 -0.56 -2.02 0.00 0.00 178.31 176.60 1uwo h GLN 71 N -1.05 0.00 -0.12 1.11 -0.00 -1.98 0.59 115.11 113.67 1uwo h GLN 71 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.40 1uwo h GLN 71 Cb 0.76 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.25 1uwo h GLN 71 CO 0.17 0.00 -0.52 1.49 -0.00 0.00 0.00 178.83 179.97 1uwo h GLU 72 N 0.00 0.56 0.17 0.06 4.22 -1.62 -2.77 114.58 115.20 1uwo h GLU 72 Ca 0.50 -0.45 0.01 0.00 0.08 0.00 0.00 59.36 59.51 1uwo h GLU 72 Cb 2.18 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.50 1uwo h GLU 72 CO -0.01 1.07 -0.25 0.35 -2.18 0.00 0.00 179.01 178.00 1uwo h PHE 73 N 0.18 -0.66 0.50 0.92 3.57 0.19 0.44 116.94 122.09 1uwo h PHE 73 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1uwo h PHE 73 Cb 1.16 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1uwo h PHE 73 CO 0.11 -0.36 -0.42 1.98 -2.23 0.00 0.00 178.31 177.39 1uwo h MET 74 N -0.49 -0.89 0.00 1.11 4.05 -1.57 0.14 114.93 117.30 1uwo h MET 74 Ca 0.01 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1uwo h MET 74 Cb 0.48 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1uwo h MET 74 CO -0.10 -0.59 0.10 0.00 0.23 0.00 0.00 176.91 176.54 1uwo h ALA 75 N -0.63 1.08 -0.13 0.39 0.00 -1.33 -1.69 119.26 116.95 1uwo h ALA 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uwo h ALA 75 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1uwo h ALA 75 CO -0.02 -0.08 0.00 0.34 0.00 0.00 0.00 179.25 179.49 1uwo n PHE 76 N -2.60 0.00 -0.10 0.00 -0.00 0.15 -2.17 117.46 112.74 1uwo n PHE 76 Ca -0.02 0.00 0.25 0.00 -0.00 0.00 0.00 57.45 57.68 1uwo n PHE 76 Cb 0.14 -0.48 0.72 0.00 -0.00 0.00 0.00 39.48 39.86 1uwo n PHE 76 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1uwo h VAL 77 N 0.00 0.58 -0.60 -2.13 2.07 -1.15 0.17 116.25 115.19 1uwo h VAL 77 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1uwo h VAL 77 Cb 0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1uwo h VAL 77 CO 0.00 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.76 1uwo h ALA 78 N 1.59 0.78 -0.13 1.67 0.00 -1.33 -1.25 119.26 120.60 1uwo h ALA 78 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1uwo h ALA 78 Cb 1.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1uwo h ALA 78 CO -0.00 0.47 0.00 -1.33 0.00 0.00 0.00 179.25 178.38 1uwo n MET 79 N -4.39 0.00 -0.01 0.00 2.81 0.53 -1.61 117.12 114.45 1uwo n MET 79 Ca 0.03 0.48 0.21 0.00 -1.81 0.00 0.00 57.70 56.61 1uwo n MET 79 Cb 0.22 -1.02 0.46 0.00 -0.71 0.00 0.00 33.22 32.16 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1uwo h VAL 80 N 0.00 0.08 0.00 2.03 -1.51 -1.51 2.41 116.25 117.74 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 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.35 1uwo h VAL 80 CO 0.00 0.00 -0.00 0.74 -1.23 0.00 0.00 177.57 177.08 1uwo h THR 81 N 0.00 0.00 0.01 7.19 2.02 -1.27 -3.29 112.91 117.57 1uwo h THR 81 Ca 0.30 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1uwo h THR 81 Cb 2.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 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 -0.19 1.67 -0.90 3.16 1.03 -0.25 -1.29 112.91 116.13 1uwo h THR 82 Ca 0.00 -2.08 0.31 0.00 -0.01 0.00 0.00 66.41 64.63 1uwo h THR 82 Cb 0.00 3.07 -0.17 0.00 -1.07 0.00 0.00 68.15 69.99 1uwo h THR 82 CO 0.00 0.55 0.25 0.00 -0.01 0.00 0.00 175.52 176.31 1uwo n ALA 83 N -2.55 0.69 -0.01 0.00 0.00 0.80 0.12 120.51 119.57 1uwo n ALA 83 Ca -0.10 0.94 -0.06 0.00 0.00 0.00 0.00 53.44 54.23 1uwo n ALA 83 Cb 0.46 -0.81 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo n HIS 85 N -3.00 0.00 0.99 0.00 -0.00 0.33 -1.79 115.22 111.75 1uwo n HIS 85 Ca -0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.70 1uwo n HIS 85 Cb 0.99 -0.48 0.30 0.00 -0.00 0.00 0.00 29.99 30.80 1uwo n HIS 85 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1uwo n GLU 86 N -1.48 0.01 0.31 1.57 1.02 0.56 -3.76 120.64 118.86 1uwo n GLU 86 Ca 0.04 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.36 1uwo n GLU 86 Cb 0.16 -1.51 0.97 0.00 -0.02 0.00 0.00 31.44 31.05 1uwo n GLU 86 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1uwo h PHE 87 N 0.00 0.00 -0.89 -0.32 3.57 -1.54 -2.85 116.94 114.90 1uwo h PHE 87 Ca 0.00 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.74 1uwo h PHE 87 Cb 0.51 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.09 1uwo h PHE 87 CO 0.00 0.03 0.11 0.27 -2.23 0.00 0.00 178.31 176.48 1uwo h PHE 88 N 0.00 0.11 -6.09 0.41 -0.00 -1.78 -3.46 116.94 106.14 1uwo h PHE 88 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.97 58.03 1uwo h PHE 88 Cb 0.16 0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 36.20 1uwo h PHE 88 CO 0.00 -0.31 -0.78 -1.91 -0.00 0.00 0.00 178.31 175.31 1uwo n GLU 89 N -5.36 -1.18 -3.27 6.09 2.13 -1.08 -4.97 120.64 113.01 1uwo n GLU 89 Ca 0.21 1.29 -0.22 0.00 0.66 0.00 0.00 57.16 59.10 1uwo n GLU 89 Cb 0.68 -1.72 -0.08 0.00 0.27 0.00 0.00 31.44 30.58 1uwo n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1uwo s HIS 90 N -0.81 0.44 0.00 4.31 2.46 -1.26 -5.23 115.29 115.20 1uwo s HIS 90 Ca -0.02 -1.84 0.00 0.00 0.47 0.00 0.00 55.06 53.67 1uwo s HIS 90 Cb 0.00 -0.64 0.00 0.00 -0.13 0.00 0.00 32.58 31.81 1uwo s HIS 90 CO 0.14 -0.93 0.00 -1.91 -2.47 0.00 0.00 174.74 169.58