#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 0.27 -1.46 4.71 -1.26 -2.48 120.64 120.42 1uwo n GLU 2 Ca 0.00 0.44 0.18 0.00 -0.01 0.00 0.00 57.16 57.77 1uwo n GLU 2 Cb 0.00 -1.09 0.93 0.00 -1.01 0.00 0.00 31.44 30.27 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1uwo h LEU 3 N 0.00 0.00 0.17 -4.62 4.07 -2.05 -0.66 115.31 112.23 1uwo h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 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 -0.08 -0.08 -1.08 0.00 0.00 178.44 177.20 1uwo h GLU 4 N 0.00 -0.22 0.00 1.13 4.81 -1.99 0.47 114.58 118.77 1uwo h GLU 4 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1uwo h GLU 4 Cb 0.07 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1uwo h GLU 4 CO 0.00 -0.15 0.00 1.17 -0.73 0.00 0.00 179.01 179.30 1uwo n LYS 5 N -2.99 0.17 0.05 1.92 4.81 -1.03 -1.45 118.16 119.63 1uwo n LYS 5 Ca -0.03 0.52 -0.06 0.00 -0.87 0.00 0.00 58.31 57.86 1uwo n LYS 5 Cb 0.09 -1.90 -0.11 0.00 0.02 0.00 0.00 35.03 33.13 1uwo n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uwo h ALA 6 N 2.15 0.49 0.00 3.14 0.00 -1.04 -2.69 119.26 121.31 1uwo h ALA 6 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 54.91 53.82 1uwo h ALA 6 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uwo h ALA 6 CO 0.00 1.26 -0.67 0.00 0.00 0.00 0.00 179.25 179.84 1uwo h MET 7 N 0.00 0.00 0.14 0.00 -0.00 0.27 -2.43 114.93 112.92 1uwo h MET 7 Ca -0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.42 1uwo h MET 7 Cb 1.79 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 33.41 1uwo h MET 7 CO 0.11 0.31 -0.88 -0.39 -0.00 0.00 0.00 176.91 176.07 1uwo h VAL 8 N 0.00 1.48 -0.19 -0.10 -1.51 -1.47 -1.08 116.25 113.38 1uwo h VAL 8 Ca -0.04 -2.54 -0.16 0.00 -1.23 0.00 0.00 66.70 62.73 1uwo h VAL 8 Cb 1.32 3.17 -0.01 0.00 -2.13 0.00 0.00 31.29 33.64 1uwo h VAL 8 CO 0.04 0.72 -0.55 0.00 -1.23 0.00 0.00 177.57 176.55 1uwo h ALA 9 N 0.08 0.69 0.10 5.19 0.00 -1.59 -2.76 119.26 120.97 1uwo h ALA 9 Ca -0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1uwo h ALA 9 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1uwo h ALA 9 CO 0.15 0.69 -0.05 -0.07 0.00 0.00 0.00 179.25 179.97 1uwo h LEU 10 N 0.44 -0.12 -0.81 0.00 4.07 -1.54 -2.19 115.31 115.16 1uwo h LEU 10 Ca 0.01 -0.44 0.20 0.00 0.08 0.00 0.00 57.88 57.73 1uwo h LEU 10 Cb 1.10 0.03 -0.13 0.00 1.08 0.00 0.00 40.66 42.73 1uwo h LEU 10 CO 0.10 0.51 0.14 -0.29 -1.08 0.00 0.00 178.44 177.83 1uwo h ILE 11 N -0.90 0.37 -0.21 1.22 -0.00 -1.27 0.68 117.51 117.39 1uwo h ILE 11 Ca -0.01 -0.06 -0.10 0.00 -0.00 0.00 0.00 64.86 64.68 1uwo h ILE 11 Cb 0.55 0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 37.52 1uwo h ILE 11 CO 0.02 0.03 -0.30 -0.78 -0.00 0.00 0.00 178.15 177.13 1uwo h ASP 12 N 0.19 0.44 1.08 2.19 3.58 -1.54 -2.17 116.42 120.18 1uwo h ASP 12 Ca 0.47 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1uwo h ASP 12 Cb 0.89 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1uwo h ASP 12 CO -0.63 0.72 0.00 0.58 -2.88 0.00 0.00 179.24 177.03 1uwo h VAL 13 N 0.37 0.00 0.15 2.25 2.07 0.88 -1.95 116.25 120.02 1uwo h VAL 13 Ca 0.05 -0.38 -0.31 0.00 0.82 0.00 0.00 66.70 66.88 1uwo h VAL 13 Cb 0.72 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1uwo h VAL 13 CO 0.05 0.00 -1.58 0.15 0.02 0.00 0.00 177.57 176.21 1uwo h PHE 14 N 0.00 0.58 0.00 1.57 3.57 -0.09 -2.34 116.94 120.22 1uwo h PHE 14 Ca 0.00 -0.42 -0.14 0.00 3.53 0.00 0.00 57.97 60.94 1uwo h PHE 14 Cb 0.54 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1uwo h PHE 14 CO 0.00 1.62 -0.64 0.45 -2.23 0.00 0.00 178.31 177.50 1uwo h HIS 15 N -0.10 0.00 0.01 0.41 3.86 -1.45 -0.54 115.15 117.34 1uwo h HIS 15 Ca -0.32 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1uwo h HIS 15 Cb 1.93 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.40 1uwo h HIS 15 CO 0.11 0.64 -0.01 0.37 0.86 0.00 0.00 177.93 179.91 1uwo h GLN 16 N 0.00 -0.02 -0.42 2.45 4.15 -1.47 -0.73 115.11 119.07 1uwo h GLN 16 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1uwo h GLN 16 Cb 1.22 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 1uwo h GLN 16 CO 0.08 -0.01 0.25 1.88 -1.93 0.00 0.00 178.83 179.10 1uwo h TYR 17 N -0.98 0.47 0.00 3.99 -1.99 -1.53 -0.26 116.97 116.68 1uwo h TYR 17 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1uwo h TYR 17 Cb 0.01 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.59 1uwo h TYR 17 CO 0.00 0.27 0.00 -1.13 -0.00 0.00 0.00 178.16 177.30 1uwo n SER 18 N -4.85 0.31 -1.80 3.88 3.41 -0.21 -2.78 113.62 111.58 1uwo n SER 18 Ca 0.02 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.07 1uwo n SER 18 Cb 0.06 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.72 3.45 0.08 5.00 0.00 -0.11 -3.34 105.19 110.99 1uwo n GLY 19 Ca 0.05 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.33 0.41 -3.09 1.61 1.74 -1.12 -4.33 116.66 111.56 1uwo n ARG 20 Ca 0.37 0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 57.15 1uwo n ARG 20 Cb 1.24 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.95 1uwo n ARG 20 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uwo n GLU 21 N -2.30 4.03 -2.23 5.56 1.02 -1.26 -4.79 120.64 120.67 1uwo n GLU 21 Ca 0.02 -4.60 0.00 0.00 -0.02 0.00 0.00 57.16 52.56 1uwo n GLU 21 Cb 0.48 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1uwo n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uwo n GLY 22 N 1.09 -0.41 3.65 0.62 0.00 -1.26 -4.75 105.19 104.13 1uwo n GLY 22 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 1uwo n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uwo s ASP 23 N -1.80 -0.02 -0.31 1.61 -1.08 -1.26 -5.13 116.67 108.67 1uwo s ASP 23 Ca 0.00 0.04 -0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1uwo s ASP 23 Cb 0.00 0.31 0.02 0.00 -1.46 0.00 0.00 42.92 41.79 1uwo s ASP 23 CO 0.00 -0.01 0.09 -0.54 0.52 0.00 0.00 175.17 175.23 1uwo s LYS 24 N 0.29 2.91 0.00 4.34 3.01 -1.23 -3.47 119.74 125.57 1uwo s LYS 24 Ca 0.03 -0.98 0.00 0.00 -1.01 0.00 0.00 55.97 54.01 1uwo s LYS 24 Cb -0.04 -3.40 0.00 0.00 -1.01 0.00 0.00 37.83 33.37 1uwo s LYS 24 CO -0.15 -0.53 0.00 1.58 0.51 0.00 0.00 175.35 176.76 1uwo n HIS 25 N 4.85 0.00 -4.11 3.18 -0.00 -1.21 -4.84 115.22 113.08 1uwo n HIS 25 Ca -0.14 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.93 1uwo n HIS 25 Cb 0.47 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.26 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 -0.77 1.36 -0.13 1.57 -2.85 -1.25 -4.48 119.74 113.20 1uwo s LYS 26 Ca 0.00 -1.48 0.02 0.00 -1.00 0.00 0.00 55.97 53.51 1uwo s LYS 26 Cb 0.00 0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1uwo s LYS 26 CO 0.00 -0.50 -0.19 -0.51 0.10 0.00 0.00 175.35 174.24 1uwo s LEU 27 N -3.10 2.33 0.74 2.77 1.02 -1.21 -4.35 118.68 116.87 1uwo s LEU 27 Ca 0.32 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.87 1uwo s LEU 27 Cb 0.04 -1.50 0.03 0.00 0.02 0.00 0.00 46.19 44.78 1uwo s LEU 27 CO 0.11 0.13 1.07 -0.75 0.02 0.00 0.00 176.35 176.93 1uwo s LYS 28 N 0.54 2.59 0.57 1.70 2.47 -1.26 -2.53 119.74 123.82 1uwo s LYS 28 Ca -0.12 0.89 0.42 0.00 -1.56 0.00 0.00 55.97 55.61 1uwo s LYS 28 Cb -0.16 -1.96 1.54 0.00 -1.46 0.00 0.00 37.83 35.79 1uwo s LYS 28 CO 0.04 -1.33 1.59 0.87 0.16 0.00 0.00 175.35 176.68 1uwo h LYS 29 N -0.89 0.00 0.21 4.03 1.57 -2.00 0.80 116.57 120.29 1uwo h LYS 29 Ca -0.45 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.01 1uwo h LYS 29 Cb 1.23 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.56 1uwo h LYS 29 CO 0.57 0.00 -1.51 0.77 -0.57 0.00 0.00 179.45 178.71 1uwo h SER 30 N 0.00 0.71 -0.98 0.86 0.02 -1.99 -2.88 113.55 109.29 1uwo h SER 30 Ca 0.74 -0.93 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1uwo h SER 30 Cb 3.17 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 65.43 1uwo h SER 30 CO -0.01 1.71 0.64 -0.33 -1.14 0.00 0.00 176.83 177.70 1uwo h GLU 31 N 0.05 1.20 0.71 3.45 3.07 0.28 -2.16 114.58 121.17 1uwo h GLU 31 Ca -0.28 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 1uwo h GLU 31 Cb 2.07 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 29.72 1uwo h GLU 31 CO 0.22 0.79 -0.34 -0.07 -1.40 0.00 0.00 179.01 178.21 1uwo h LEU 32 N 1.23 -0.81 -1.54 1.33 3.38 -1.39 -1.71 115.31 115.80 1uwo h LEU 32 Ca 0.39 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.76 1uwo h LEU 32 Cb 0.01 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1uwo h LEU 32 CO -0.12 -0.52 1.17 0.50 0.09 0.00 0.00 178.44 179.55 1uwo h LYS 33 N -1.08 0.00 0.01 1.13 1.63 -1.26 -1.15 116.57 115.86 1uwo h LYS 33 Ca -0.10 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1uwo h LYS 33 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1uwo h LYS 33 CO 0.16 0.00 -0.00 0.93 -3.45 0.00 0.00 179.45 177.09 1uwo h GLU 34 N 0.00 -0.01 -1.74 1.90 3.07 -0.79 -1.04 114.58 115.97 1uwo h GLU 34 Ca 0.61 0.00 0.51 0.00 -0.50 0.00 0.00 59.36 59.98 1uwo h GLU 34 Cb 2.93 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 30.77 1uwo h GLU 34 CO -0.01 -0.01 1.24 1.25 -1.40 0.00 0.00 179.01 180.09 1uwo h LEU 35 N -0.27 0.03 0.15 1.33 6.46 -0.37 1.08 115.31 123.73 1uwo h LEU 35 Ca -0.00 0.02 -0.31 0.00 -0.12 0.00 0.00 57.88 57.46 1uwo h LEU 35 Cb 0.01 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1uwo h LEU 35 CO 0.00 -0.02 -1.56 0.40 -0.62 0.00 0.00 178.44 176.64 1uwo h ILE 36 N 0.01 1.01 -0.27 4.05 1.08 -1.38 -2.69 117.51 119.32 1uwo h ILE 36 Ca 0.85 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.86 1uwo h ILE 36 Cb 3.33 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 39.85 1uwo h ILE 36 CO -0.06 0.78 0.00 0.59 -0.69 0.00 0.00 178.15 178.77 1uwo n ASN 37 N -3.77 1.71 -0.01 1.72 5.03 0.22 -1.36 115.26 118.80 1uwo n ASN 37 Ca -0.24 -2.06 -0.02 0.00 0.87 0.00 0.00 54.58 53.13 1uwo n ASN 37 Cb 0.99 -0.25 -0.01 0.00 -1.02 0.00 0.00 39.78 39.49 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 0.31 2.10 -0.01 6.41 5.03 0.31 -4.65 115.26 124.77 1uwo n ASN 38 Ca 0.10 0.01 0.05 0.00 0.87 0.00 0.00 54.58 55.61 1uwo n ASN 38 Cb 0.30 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1uwo n GLU 39 N -2.83 3.24 -2.09 3.52 -0.58 -1.01 -4.53 120.64 116.35 1uwo n GLU 39 Ca -0.05 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.43 1uwo n GLU 39 Cb 0.54 -1.04 0.02 0.00 -0.57 0.00 0.00 31.44 30.39 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1uwo n LEU 40 N -1.25 4.94 -0.02 -4.62 4.32 -0.46 -4.62 117.00 115.29 1uwo n LEU 40 Ca 0.02 -4.83 0.02 0.00 -0.02 0.00 0.00 56.01 51.20 1uwo n LEU 40 Cb 0.18 -0.37 0.03 0.00 -1.62 0.00 0.00 43.42 41.63 1uwo n LEU 40 CO 0.23 2.12 0.48 -1.54 -1.22 0.00 0.00 177.39 177.46 1uwo n SER 41 N -0.67 1.82 -0.05 -1.43 3.41 -1.22 -3.50 113.62 111.99 1uwo n SER 41 Ca 0.43 -2.10 -0.06 0.00 -0.26 0.00 0.00 58.87 56.88 1uwo n SER 41 Cb 0.91 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.76 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1uwo n HIS 42 N -0.61 0.00 0.00 7.33 -0.00 -1.26 -4.44 115.22 116.24 1uwo n HIS 42 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1uwo n HIS 42 Cb 0.36 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 1uwo n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1uwo n PHE 43 N -4.14 0.00 -0.18 1.57 3.72 -1.26 -4.23 117.46 112.95 1uwo n PHE 43 Ca -0.10 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.59 1uwo n PHE 43 Cb 0.36 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.62 1uwo n PHE 43 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 1uwo h LEU 44 N 0.00 0.00 0.00 4.37 8.10 -1.91 -3.42 115.31 122.45 1uwo h LEU 44 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1uwo h LEU 44 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1uwo h LEU 44 CO 0.00 0.00 0.00 -0.62 -4.11 0.00 0.00 178.44 173.71 1uwo n GLU 45 N -4.03 0.00 0.00 0.17 1.02 -1.23 -4.79 120.64 111.77 1uwo n GLU 45 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1uwo n GLU 45 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.46 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 0.00 0.00 -1.30 3.49 2.13 -1.26 -4.65 120.64 119.04 1uwo n GLU 46 Ca 0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1uwo n GLU 46 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 0.00 -0.55 0.00 6.31 5.41 -1.26 -5.00 119.36 124.27 1uwo n ILE 47 Ca 0.00 0.68 0.00 0.00 1.00 0.00 0.00 62.75 64.43 1uwo n ILE 47 Cb 0.00 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1uwo n ILE 47 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1uwo n LYS 48 N -4.08 0.00 0.00 0.38 2.85 -1.26 -4.97 118.16 111.08 1uwo n LYS 48 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1uwo n LYS 48 Cb 0.60 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1uwo n LYS 48 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1uwo n GLU 49 N 0.00 0.00 0.00 -1.58 0.28 -1.26 -5.03 120.64 113.05 1uwo n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1uwo n GLU 49 Cb 0.00 -0.49 0.00 0.00 1.43 0.00 0.00 31.44 32.38 1uwo n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uwo n GLN 50 N -1.34 0.00 0.00 3.44 10.64 -1.26 -4.94 117.38 123.92 1uwo n GLN 50 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1uwo n GLN 50 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1uwo n GLU 51 N 0.00 0.00 0.03 2.61 2.13 -1.26 -3.76 120.64 120.38 1uwo n GLU 51 Ca 0.00 0.27 0.12 0.00 0.66 0.00 0.00 57.16 58.20 1uwo n GLU 51 Cb 0.00 -0.75 0.13 0.00 0.27 0.00 0.00 31.44 31.08 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1uwo n VAL 52 N -2.14 0.16 0.08 6.31 0.31 -1.26 -2.77 118.33 119.02 1uwo n VAL 52 Ca 0.00 -0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.14 1uwo n VAL 52 Cb 0.00 0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 33.05 1uwo n VAL 52 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uwo h VAL 53 N 0.00 1.12 0.05 2.52 2.07 -1.96 -0.60 116.25 119.46 1uwo h VAL 53 Ca 0.00 -2.69 -0.33 0.00 0.82 0.00 0.00 66.70 64.51 1uwo h VAL 53 Cb 0.65 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1uwo h VAL 53 CO 0.00 0.64 -1.85 -0.67 0.02 0.00 0.00 177.57 175.71 1uwo n ASP 54 N -3.20 1.41 0.03 0.57 2.03 -1.25 -2.94 116.55 113.20 1uwo n ASP 54 Ca -0.02 0.32 -0.20 0.00 0.52 0.00 0.00 54.79 55.41 1uwo n ASP 54 Cb 0.86 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1uwo n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1uwo h LYS 55 N 0.03 0.25 -0.42 -0.67 6.56 -1.62 -3.33 116.57 117.37 1uwo h LYS 55 Ca -0.35 -0.43 -0.05 0.00 -1.06 0.00 0.00 60.65 58.76 1uwo h LYS 55 Cb 2.03 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 33.83 1uwo h LYS 55 CO 0.08 1.21 0.08 -0.24 -2.06 0.00 0.00 179.45 178.52 1uwo h VAL 56 N -0.45 1.24 -0.96 0.50 3.04 -1.29 -2.93 116.25 115.40 1uwo h VAL 56 Ca -0.16 -0.84 0.24 0.00 -1.01 0.00 0.00 66.70 64.94 1uwo h VAL 56 Cb 1.58 0.98 -0.18 0.00 -2.01 0.00 0.00 31.29 31.67 1uwo h VAL 56 CO 0.11 0.29 -0.05 -0.03 -1.01 0.00 0.00 177.57 176.89 1uwo h MET 57 N 0.54 0.02 -0.51 4.17 -1.53 -1.65 1.13 114.93 117.10 1uwo h MET 57 Ca 0.13 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.38 1uwo h MET 57 Cb 0.35 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.37 1uwo h MET 57 CO 0.00 0.01 0.30 1.49 0.14 0.00 0.00 176.91 178.85 1uwo h GLU 58 N 0.02 0.69 0.00 0.39 4.81 -1.63 -0.16 114.58 118.70 1uwo h GLU 58 Ca 0.55 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1uwo h GLU 58 Cb 1.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1uwo h GLU 58 CO -0.92 0.51 0.00 2.41 -0.73 0.00 0.00 179.01 180.29 1uwo n THR 59 N -4.68 0.61 0.00 0.32 -1.04 0.34 -3.98 114.28 105.85 1uwo n THR 59 Ca 0.02 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1uwo n THR 59 Cb 0.06 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1uwo n THR 59 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1uwo n LEU 60 N -1.45 1.01 -4.56 -4.42 4.77 0.18 -4.64 117.00 107.89 1uwo n LEU 60 Ca 0.06 0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 1uwo n LEU 60 Cb 0.21 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1uwo n LEU 60 CO 0.17 -0.27 1.49 -0.62 -1.33 0.00 0.00 177.39 176.84 1uwo s ASP 61 N -2.21 4.25 -0.08 -1.43 -1.08 -0.91 -4.69 116.67 110.51 1uwo s ASP 61 Ca 0.00 0.30 0.20 0.00 -0.52 0.00 0.00 52.55 52.53 1uwo s ASP 61 Cb 0.00 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.63 1uwo s ASP 61 CO 0.00 -3.39 1.61 0.59 0.52 0.00 0.00 175.17 174.50 1uwo n ASN 62 N 17.07 4.56 -0.03 -0.34 4.13 -1.26 -4.40 115.26 134.99 1uwo n ASN 62 Ca 0.42 -2.31 -0.05 0.00 1.68 0.00 0.00 54.58 54.31 1uwo n ASN 62 Cb 0.48 -0.56 -0.02 0.00 -1.54 0.00 0.00 39.78 38.14 1uwo n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1uwo n ASP 63 N 1.31 1.89 0.00 6.41 9.92 -1.26 -5.11 116.55 129.70 1uwo n ASP 63 Ca 0.26 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1uwo n ASP 63 Cb 0.82 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uwo n GLY 64 N 2.93 0.02 0.00 0.44 0.00 -1.26 -5.06 105.19 102.26 1uwo n GLY 64 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -5.02 116.55 119.88 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 -0.54 1.02 3.19 0.44 0.00 -1.26 -5.11 105.19 102.93 1uwo n GLY 66 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.01 0.47 0.72 1.61 -1.05 -1.26 -4.61 118.70 114.57 1uwo s GLU 67 Ca 0.00 0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 55.66 1uwo s GLU 67 Cb 0.00 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1uwo s GLU 67 CO 0.00 -0.49 1.10 0.00 0.95 0.00 0.00 175.26 176.82 1uwo s ASP 69 N -3.03 4.03 0.06 0.00 1.11 -1.26 -3.33 116.67 114.25 1uwo s ASP 69 Ca 0.64 -1.32 -0.18 0.00 0.18 0.00 0.00 52.55 51.87 1uwo s ASP 69 Cb -0.19 -0.35 -0.08 0.00 1.07 0.00 0.00 42.92 43.37 1uwo s ASP 69 CO 0.50 -0.50 1.29 0.15 1.18 0.00 0.00 175.17 177.78 1uwo h PHE 70 N 1.65 -0.82 -1.17 4.23 3.04 -1.98 0.23 116.94 122.12 1uwo h PHE 70 Ca -0.44 0.02 0.34 0.00 3.98 0.00 0.00 57.97 61.88 1uwo h PHE 70 Cb 1.25 0.35 -0.05 0.00 2.56 0.00 0.00 35.95 40.06 1uwo h PHE 70 CO 0.76 -0.31 0.99 -0.56 -2.02 0.00 0.00 178.31 177.17 1uwo h GLN 71 N -0.38 0.00 0.09 1.11 3.07 -1.99 0.76 115.11 117.77 1uwo h GLN 71 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 1uwo h GLN 71 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.98 1uwo h GLN 71 CO -0.17 0.00 -1.01 0.93 0.09 0.00 0.00 178.83 178.67 1uwo h GLU 72 N 0.00 0.53 -0.40 0.06 5.08 -1.04 -2.69 114.58 116.12 1uwo h GLU 72 Ca 0.56 -0.69 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1uwo h GLU 72 Cb 2.54 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 31.93 1uwo h GLU 72 CO -0.01 1.29 -0.12 0.35 -1.00 0.00 0.00 179.01 179.52 1uwo h PHE 73 N 0.09 -0.28 -0.72 4.33 3.57 0.27 0.43 116.94 124.63 1uwo h PHE 73 Ca -0.15 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1uwo h PHE 73 Cb 1.71 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.61 1uwo h PHE 73 CO 0.14 -0.20 0.30 0.52 -2.23 0.00 0.00 178.31 176.84 1uwo h MET 74 N -0.03 1.06 0.00 1.11 2.86 -1.57 -0.12 114.93 118.24 1uwo h MET 74 Ca 0.19 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1uwo h MET 74 Cb 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1uwo h MET 74 CO -0.43 0.85 0.00 0.00 1.06 0.00 0.00 176.91 178.39 1uwo h ALA 75 N 1.28 1.00 -0.01 6.32 0.00 -0.56 -1.79 119.26 125.50 1uwo h ALA 75 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1uwo h ALA 75 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uwo h ALA 75 CO -0.02 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.42 1uwo n PHE 76 N -2.56 0.00 -0.13 0.00 3.72 0.13 -2.38 117.46 116.25 1uwo n PHE 76 Ca 0.01 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.67 1uwo n PHE 76 Cb 0.25 -0.50 0.72 0.00 -0.94 0.00 0.00 39.48 39.01 1uwo n PHE 76 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uwo h VAL 77 N 0.00 0.60 -0.46 -4.37 2.07 -1.53 0.13 116.25 112.71 1uwo h VAL 77 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1uwo h VAL 77 Cb 0.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1uwo h VAL 77 CO 0.00 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.79 1uwo h ALA 78 N 1.60 0.59 0.01 1.67 0.00 -1.37 -0.92 119.26 120.84 1uwo h ALA 78 Ca 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1uwo h ALA 78 Cb 1.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1uwo h ALA 78 CO -0.00 0.18 -0.00 0.52 0.00 0.00 0.00 179.25 179.95 1uwo h MET 79 N 0.60 -0.01 -0.51 0.00 2.86 -0.38 -1.67 114.93 115.81 1uwo h MET 79 Ca 0.15 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.94 1uwo h MET 79 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1uwo h MET 79 CO -0.02 -0.01 0.87 0.28 1.06 0.00 0.00 176.91 179.10 1uwo h VAL 80 N -0.04 0.08 0.00 -2.22 2.07 -1.48 2.19 116.25 116.85 1uwo h VAL 80 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uwo h VAL 80 Cb 0.01 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1uwo h VAL 80 CO 0.00 0.00 -0.00 0.74 0.02 0.00 0.00 177.57 178.33 1uwo h THR 81 N 0.00 0.00 0.00 2.57 2.02 -1.19 -3.31 112.91 113.00 1uwo h THR 81 Ca 0.24 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1uwo h THR 81 Cb 1.98 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1uwo h THR 81 CO -0.00 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.85 1uwo h THR 82 N -0.22 1.68 -1.75 3.16 1.03 -0.28 -2.82 112.91 113.71 1uwo h THR 82 Ca 0.00 -2.05 0.51 0.00 -0.01 0.00 0.00 66.41 64.87 1uwo h THR 82 Cb 0.00 3.07 -0.08 0.00 -1.07 0.00 0.00 68.15 70.07 1uwo h THR 82 CO 0.00 0.53 1.25 0.00 -0.01 0.00 0.00 175.52 177.30 1uwo n ALA 83 N -2.54 1.68 -0.00 0.00 0.00 0.73 0.16 120.51 120.53 1uwo n ALA 83 Ca -0.10 0.60 -0.22 0.00 0.00 0.00 0.00 53.44 53.73 1uwo n ALA 83 Cb 0.44 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.65 0.31 0.09 0.00 -0.00 0.42 -1.62 115.22 110.76 1uwo n HIS 85 Ca -0.31 0.15 -0.17 0.00 -0.00 0.00 0.00 57.72 57.39 1uwo n HIS 85 Cb 0.99 -0.74 -0.14 0.00 -0.00 0.00 0.00 29.99 30.10 1uwo n HIS 85 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1uwo h GLU 86 N 0.00 0.28 0.00 1.57 4.57 -1.09 -3.25 114.58 116.66 1uwo h GLU 86 Ca 0.00 -0.48 -0.13 0.00 -1.18 0.00 0.00 59.36 57.58 1uwo h GLU 86 Cb 0.10 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1uwo h GLU 86 CO 0.00 1.18 -0.60 0.74 -1.18 0.00 0.00 179.01 179.15 1uwo h PHE 87 N 0.08 0.00 0.00 0.92 0.04 -1.44 -3.08 116.94 113.45 1uwo h PHE 87 Ca -0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 1uwo h PHE 87 Cb 2.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.15 1uwo h PHE 87 CO 0.07 0.60 -0.15 0.35 -0.60 0.00 0.00 178.31 178.58 1uwo h PHE 88 N 0.00 0.00 -3.08 -0.55 3.04 -1.55 -3.36 116.94 111.44 1uwo h PHE 88 Ca -0.01 0.00 -0.61 0.00 3.98 0.00 0.00 57.97 61.33 1uwo h PHE 88 Cb 1.36 0.00 -0.40 0.00 2.56 0.00 0.00 35.95 39.47 1uwo h PHE 88 CO 0.00 0.15 -0.73 -1.21 -2.02 0.00 0.00 178.31 174.51 1uwo s GLU 89 N -3.78 1.28 0.22 1.11 0.41 -1.16 -5.11 118.70 111.67 1uwo s GLU 89 Ca -0.00 -1.93 -0.19 0.00 -0.41 0.00 0.00 54.97 52.44 1uwo s GLU 89 Cb 0.11 -2.42 -0.08 0.00 -1.78 0.00 0.00 34.13 29.96 1uwo s GLU 89 CO 0.60 -1.12 0.70 -1.58 -0.49 0.00 0.00 175.26 173.37 1uwo s HIS 90 N 0.49 3.63 0.00 1.61 2.46 -1.26 -4.86 115.29 117.37 1uwo s HIS 90 Ca 0.16 1.33 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1uwo s HIS 90 Cb -0.23 -2.58 0.00 0.00 -0.13 0.00 0.00 32.58 29.64 1uwo s HIS 90 CO -0.03 0.34 0.07 -0.85 -2.47 0.00 0.00 174.74 171.79