#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 0.06 -1.46 2.13 -1.26 -1.54 120.64 118.56 1uwo n GLU 2 Ca 0.00 0.43 -0.07 0.00 0.66 0.00 0.00 57.16 58.18 1uwo n GLU 2 Cb 0.00 -1.38 0.09 0.00 0.27 0.00 0.00 31.44 30.42 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1uwo h LEU 3 N 0.00 0.39 0.35 4.31 4.07 -2.04 -2.06 115.31 120.34 1uwo h LEU 3 Ca 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 1uwo h LEU 3 Cb 0.00 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 1uwo h LEU 3 CO 0.00 0.91 -0.43 -0.08 -1.08 0.00 0.00 178.44 177.75 1uwo h GLU 4 N 0.26 -0.77 -0.26 1.13 4.81 -2.00 0.52 114.58 118.27 1uwo h GLU 4 Ca -0.01 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1uwo h GLU 4 Cb 1.13 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1uwo h GLU 4 CO 0.10 -0.52 0.14 -0.22 -0.73 0.00 0.00 179.01 177.79 1uwo h LYS 5 N -0.80 0.36 0.00 1.92 3.64 -1.34 -0.49 116.57 119.86 1uwo h LYS 5 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1uwo h LYS 5 Cb 0.72 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1uwo h LYS 5 CO -0.09 0.32 0.01 0.00 -2.27 0.00 0.00 179.45 177.41 1uwo h ALA 6 N 1.02 1.01 0.00 5.00 0.00 -1.10 -2.75 119.26 122.44 1uwo h ALA 6 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uwo h ALA 6 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uwo h ALA 6 CO -0.01 -0.01 -0.07 1.98 0.00 0.00 0.00 179.25 181.14 1uwo h MET 7 N 0.00 0.00 -0.90 0.00 4.05 0.17 -2.23 114.93 116.03 1uwo h MET 7 Ca 0.00 0.00 0.25 0.00 -0.28 0.00 0.00 59.70 59.67 1uwo h MET 7 Cb 0.02 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.67 1uwo h MET 7 CO 0.00 0.00 0.19 0.28 0.23 0.00 0.00 176.91 177.61 1uwo h VAL 8 N -0.62 0.24 0.65 -5.77 2.07 -1.30 0.60 116.25 112.12 1uwo h VAL 8 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1uwo h VAL 8 Cb 0.07 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1uwo h VAL 8 CO 0.00 0.03 -0.31 0.00 0.02 0.00 0.00 177.57 177.31 1uwo h ALA 9 N 1.83 -0.88 -0.08 1.67 0.00 -1.63 -2.19 119.26 117.98 1uwo h ALA 9 Ca 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uwo h ALA 9 Cb 1.16 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1uwo h ALA 9 CO -0.71 -0.81 0.00 1.28 0.00 0.00 0.00 179.25 179.00 1uwo n LEU 10 N -5.31 0.00 -0.42 0.00 4.77 -0.56 -0.67 117.00 114.81 1uwo n LEU 10 Ca -0.11 0.99 0.36 0.00 -0.03 0.00 0.00 56.01 57.22 1uwo n LEU 10 Cb 0.34 -0.49 0.63 0.00 -2.33 0.00 0.00 43.42 41.58 1uwo n LEU 10 CO 0.26 -0.49 1.20 0.40 -1.33 0.00 0.00 177.39 177.43 1uwo h ILE 11 N 0.00 0.10 -0.11 -0.08 2.04 -1.05 0.45 117.51 118.86 1uwo h ILE 11 Ca 0.00 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1uwo h ILE 11 Cb 0.00 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1uwo h ILE 11 CO 0.00 0.01 0.07 0.44 0.00 0.00 0.00 178.15 178.67 1uwo h ASP 12 N 0.08 0.13 0.16 1.72 5.19 -0.22 -2.12 116.42 121.36 1uwo h ASP 12 Ca 0.83 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 57.18 1uwo h ASP 12 Cb 2.49 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 41.97 1uwo h ASP 12 CO -0.50 0.12 -0.12 0.58 -3.12 0.00 0.00 179.24 176.20 1uwo h VAL 13 N 0.12 0.94 -0.43 -1.35 2.07 0.65 -1.68 116.25 116.58 1uwo h VAL 13 Ca 0.04 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1uwo h VAL 13 Cb 0.02 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1uwo h VAL 13 CO -0.01 0.12 -0.11 0.15 0.02 0.00 0.00 177.57 177.74 1uwo h PHE 14 N 0.00 0.94 -0.07 1.57 3.57 -0.95 -1.43 116.94 120.57 1uwo h PHE 14 Ca -0.00 -0.20 -0.18 0.00 3.53 0.00 0.00 57.97 61.12 1uwo h PHE 14 Cb 0.24 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1uwo h PHE 14 CO 0.00 0.95 -0.72 0.45 -2.23 0.00 0.00 178.31 176.76 1uwo h HIS 15 N 0.66 0.47 0.36 0.41 3.86 -1.07 -2.56 115.15 117.29 1uwo h HIS 15 Ca 0.11 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1uwo h HIS 15 Cb 0.65 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1uwo h HIS 15 CO 0.05 0.95 -0.17 1.96 0.86 0.00 0.00 177.93 181.58 1uwo h GLN 16 N 0.24 -0.47 -0.78 2.45 4.20 -1.21 -0.83 115.11 118.71 1uwo h GLN 16 Ca -0.03 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1uwo h GLN 16 Cb 1.29 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 29.06 1uwo h GLN 16 CO 0.12 -0.31 0.28 1.88 -0.67 0.00 0.00 178.83 180.13 1uwo h TYR 17 N -0.80 0.47 -0.19 2.96 -1.99 -1.38 0.35 116.97 116.38 1uwo h TYR 17 Ca -0.05 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1uwo h TYR 17 Cb 0.37 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1uwo h TYR 17 CO 0.04 -0.01 -0.16 1.03 -0.00 0.00 0.00 178.16 179.06 1uwo h SER 18 N 0.38 0.31 0.01 3.88 0.87 -1.50 -1.59 113.55 115.92 1uwo h SER 18 Ca 0.45 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1uwo h SER 18 Cb 0.75 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1uwo h SER 18 CO -0.47 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1uwo n GLY 19 N -0.73 -0.81 0.09 5.77 0.00 0.12 -1.08 105.19 108.55 1uwo n GLY 19 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.14 -6.55 1.61 3.08 -1.16 -3.45 114.38 108.05 1uwo h ARG 20 Ca 0.00 -0.24 -0.52 0.00 0.07 0.00 0.00 59.98 59.29 1uwo h ARG 20 Cb 0.01 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1uwo h ARG 20 CO 0.00 1.06 0.38 -2.00 -1.07 0.00 0.00 179.97 178.34 1uwo s GLU 21 N -2.66 4.66 0.61 0.04 2.12 -0.24 -4.88 118.70 118.34 1uwo s GLU 21 Ca -0.03 1.48 0.27 0.00 0.36 0.00 0.00 54.97 57.05 1uwo s GLU 21 Cb 0.08 -3.38 1.18 0.00 0.26 0.00 0.00 34.13 32.28 1uwo s GLU 21 CO 0.85 0.15 1.60 0.78 -0.54 0.00 0.00 175.26 178.10 1uwo h GLY 22 N 5.72 0.00 0.66 -1.50 0.00 -1.86 0.43 103.07 106.53 1uwo h GLY 22 Ca -0.43 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1uwo h GLY 22 CO 0.73 0.00 -0.22 -0.55 0.00 0.00 0.00 176.54 176.49 1uwo h ASP 23 N 0.00 0.34 -4.60 0.19 3.32 -1.90 -3.48 116.42 110.29 1uwo h ASP 23 Ca 0.32 -0.59 -0.16 0.00 0.02 0.00 0.00 57.03 56.62 1uwo h ASP 23 Cb 1.96 -0.10 0.13 0.00 0.22 0.00 0.00 39.33 41.54 1uwo h ASP 23 CO -0.00 0.87 -0.54 0.29 -1.72 0.00 0.00 179.24 178.14 1uwo n LYS 24 N -4.51 -1.45 0.00 3.56 5.02 0.15 -4.88 118.16 116.05 1uwo n LYS 24 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1uwo n LYS 24 Cb 0.43 -4.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 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 -2.59 0.00 -4.15 2.13 -0.00 -1.26 -4.84 115.22 104.50 1uwo n HIS 25 Ca -0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.02 1uwo n HIS 25 Cb 0.58 0.00 -0.09 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 -0.70 1.27 0.34 1.57 0.00 -1.26 -4.81 119.74 116.15 1uwo s LYS 26 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 55.97 54.47 1uwo s LYS 26 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 37.83 38.13 1uwo s LYS 26 CO 0.00 -0.45 0.51 -0.51 0.00 0.00 0.00 175.35 174.90 1uwo s LEU 27 N -3.13 3.98 -0.55 2.77 1.43 -1.25 -4.68 118.68 117.25 1uwo s LEU 27 Ca 0.35 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1uwo s LEU 27 Cb 0.05 -2.96 0.25 0.00 0.03 0.00 0.00 46.19 43.57 1uwo s LEU 27 CO 0.11 -0.40 0.67 2.29 0.23 0.00 0.00 176.35 179.26 1uwo n LYS 28 N -1.72 1.90 0.00 1.70 2.85 -1.26 -1.65 118.16 119.99 1uwo n LYS 28 Ca -0.02 -4.17 0.00 0.00 -1.05 0.00 0.00 58.31 53.06 1uwo n LYS 28 Cb 0.57 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.03 0.00 -0.32 -1.58 3.00 -1.26 -3.82 118.16 115.21 1uwo n LYS 29 Ca 0.27 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.76 1uwo n LYS 29 Cb 0.45 0.00 0.39 0.00 0.00 0.00 0.00 35.03 35.87 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 0.41 -0.86 3.14 4.64 -1.98 0.65 113.55 119.55 1uwo h SER 30 Ca 0.00 0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1uwo h SER 30 Cb 0.00 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1uwo h SER 30 CO 0.00 -0.07 0.42 -0.33 -0.87 0.00 0.00 176.83 175.98 1uwo h GLU 31 N 0.37 1.24 0.00 4.77 3.07 -1.94 -1.57 114.58 120.52 1uwo h GLU 31 Ca 0.65 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1uwo h GLU 31 Cb 1.36 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1uwo h GLU 31 CO -0.58 0.94 0.00 1.28 -1.40 0.00 0.00 179.01 179.25 1uwo n LEU 32 N -4.31 0.00 -0.35 1.33 4.77 0.22 -1.90 117.00 116.77 1uwo n LEU 32 Ca 0.09 0.95 0.27 0.00 -0.03 0.00 0.00 56.01 57.29 1uwo n LEU 32 Cb 0.14 -0.45 0.52 0.00 -2.33 0.00 0.00 43.42 41.30 1uwo n LEU 32 CO 0.40 -0.45 1.13 0.50 -1.33 0.00 0.00 177.39 177.64 1uwo h LYS 33 N 0.00 0.24 0.22 3.23 1.63 -1.44 0.13 116.57 120.58 1uwo h LYS 33 Ca 0.00 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1uwo h LYS 33 Cb 0.00 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1uwo h LYS 33 CO 0.00 0.16 -0.51 1.49 -3.45 0.00 0.00 179.45 177.14 1uwo h GLU 34 N 0.24 -0.78 0.35 1.90 4.22 -0.86 -0.82 114.58 118.84 1uwo h GLU 34 Ca 0.76 0.05 -0.00 0.00 0.08 0.00 0.00 59.36 60.25 1uwo h GLU 34 Cb 1.89 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 1uwo h GLU 34 CO -0.58 -0.52 -0.29 1.25 -2.18 0.00 0.00 179.01 176.69 1uwo h LEU 35 N -0.81 -0.78 -1.85 1.64 5.85 -0.06 -0.18 115.31 119.12 1uwo h LEU 35 Ca -0.02 0.06 0.43 0.00 0.84 0.00 0.00 57.88 59.19 1uwo h LEU 35 Cb 0.78 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1uwo h LEU 35 CO -0.23 -0.43 1.14 0.40 -0.34 0.00 0.00 178.44 178.98 1uwo h ILE 36 N -0.65 0.16 0.21 4.05 2.04 -0.98 0.91 117.51 123.25 1uwo h ILE 36 Ca -0.02 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1uwo h ILE 36 Cb 0.58 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1uwo h ILE 36 CO -0.03 0.00 -1.55 0.78 0.00 0.00 0.00 178.15 177.35 1uwo h ASN 37 N 0.00 0.69 -0.48 1.72 -0.26 0.41 -2.76 115.58 114.89 1uwo h ASN 37 Ca 0.70 -0.93 -0.05 0.00 -0.56 0.00 0.00 56.30 55.46 1uwo h ASN 37 Cb 2.97 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 39.98 1uwo h ASN 37 CO -0.01 1.72 0.06 0.59 -1.06 0.00 0.00 177.43 178.74 1uwo n ASN 38 N -3.71 4.53 0.00 5.81 3.02 0.26 -3.64 115.26 121.54 1uwo n ASN 38 Ca -0.21 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1uwo n ASN 38 Cb 1.06 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1uwo n GLU 39 N 0.33 0.00 0.17 3.52 0.28 0.17 -4.76 120.64 120.35 1uwo n GLU 39 Ca 0.24 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.38 1uwo n GLU 39 Cb 1.04 -0.46 0.39 0.00 1.43 0.00 0.00 31.44 33.83 1uwo n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1uwo h LEU 40 N 0.00 0.00 -2.47 -1.84 4.07 -1.67 -3.48 115.31 109.92 1uwo h LEU 40 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1uwo h LEU 40 Cb 0.52 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.27 1uwo h LEU 40 CO 0.00 0.00 -0.04 -0.24 -1.08 0.00 0.00 178.44 177.08 1uwo n SER 41 N -2.66 -2.10 0.00 -0.43 2.88 -1.25 -3.63 113.62 106.43 1uwo n SER 41 Ca 0.04 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1uwo n SER 41 Cb 0.41 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1uwo n HIS 42 N -1.35 0.00 0.29 0.66 8.25 -1.24 -4.80 115.22 117.03 1uwo n HIS 42 Ca -0.01 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.62 1uwo n HIS 42 Cb 0.51 -0.36 0.89 0.00 1.12 0.00 0.00 29.99 32.15 1uwo n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1uwo h PHE 43 N 0.00 0.00 0.00 4.41 3.57 -1.87 -3.14 116.94 119.90 1uwo h PHE 43 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1uwo h PHE 43 Cb 0.00 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.60 1uwo h PHE 43 CO 0.00 0.00 -0.26 1.47 -2.23 0.00 0.00 178.31 177.29 1uwo n LEU 44 N -2.76 -1.51 0.00 0.59 -0.00 -1.26 -4.85 117.00 107.21 1uwo n LEU 44 Ca -0.02 -3.12 0.00 0.00 -0.00 0.00 0.00 56.01 52.86 1uwo n LEU 44 Cb 0.19 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1uwo n LEU 44 CO 0.14 1.72 0.32 -0.62 -0.00 0.00 0.00 177.39 178.95 1uwo n GLU 45 N -1.17 0.00 -0.29 1.47 -0.58 -1.19 -1.26 120.64 117.62 1uwo n GLU 45 Ca -0.13 0.55 0.03 0.00 -0.42 0.00 0.00 57.16 57.19 1uwo n GLU 45 Cb 0.84 -1.15 0.15 0.00 -0.57 0.00 0.00 31.44 30.71 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1uwo n GLU 46 N -1.46 2.26 -2.11 3.49 1.02 -1.26 -4.79 120.64 117.79 1uwo n GLU 46 Ca 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 1uwo n GLU 46 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 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 0.27-13.55 -0.20 -3.67 5.41 -0.39 -4.45 119.36 102.79 1uwo n ILE 47 Ca 0.10 3.53 0.30 0.00 1.00 0.00 0.00 62.75 67.68 1uwo n ILE 47 Cb 0.51 -5.56 0.61 0.00 -0.71 0.00 0.00 39.64 34.49 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 4.40 0.00 0.00 0.38 2.10 -1.89 -3.32 116.57 118.24 1uwo h LYS 48 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uwo h LYS 48 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1uwo h LYS 48 CO 0.00 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.54 1uwo n GLU 49 N -3.56 0.00 -4.17 0.07 2.13 -1.26 -4.96 120.64 108.89 1uwo n GLU 49 Ca 0.21 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.74 1uwo n GLU 49 Cb 1.30 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.95 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 -2.14 -0.09 5.31 3.00 -1.25 -4.86 117.38 117.35 1uwo n GLN 50 Ca 0.00 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 1uwo n GLN 50 Cb 0.00 -4.20 -0.08 0.00 0.00 0.00 0.00 30.24 25.96 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1uwo n GLU 51 N -4.46 0.52 0.03 -1.09 2.13 -1.26 -3.62 120.64 112.91 1uwo n GLU 51 Ca -0.25 0.56 0.11 0.00 0.66 0.00 0.00 57.16 58.23 1uwo n GLU 51 Cb 0.66 -1.73 -0.10 0.00 0.27 0.00 0.00 31.44 30.54 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 -4.50 0.27 0.05 6.31 0.31 -1.26 -2.68 118.33 116.84 1uwo n VAL 52 Ca -0.24 -0.53 -0.08 0.00 -0.01 0.00 0.00 64.34 63.49 1uwo n VAL 52 Cb 0.54 -0.15 -0.12 0.00 -0.91 0.00 0.00 33.84 33.20 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 1.58 0.00 2.52 2.07 -1.96 -1.31 116.25 119.15 1uwo h VAL 53 Ca -0.01 -3.30 -0.13 0.00 0.82 0.00 0.00 66.70 64.08 1uwo h VAL 53 Cb 1.02 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.57 1uwo h VAL 53 CO 0.00 0.90 -1.31 -0.67 0.02 0.00 0.00 177.57 176.52 1uwo n ASP 54 N -3.32 0.87 -0.05 0.57 2.03 -1.24 -3.31 116.55 112.10 1uwo n ASP 54 Ca -0.03 0.37 -0.17 0.00 0.52 0.00 0.00 54.79 55.48 1uwo n ASP 54 Cb 0.96 0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.08 -0.58 -0.67 3.64 -1.56 -3.34 116.57 114.13 1uwo h LYS 55 Ca -0.12 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1uwo h LYS 55 Cb 1.44 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 1uwo h LYS 55 CO 0.04 1.06 0.33 -0.39 -2.27 0.00 0.00 179.45 178.21 1uwo h VAL 56 N -0.82 1.00 -1.66 2.00 -1.51 -1.40 -1.31 116.25 112.55 1uwo h VAL 56 Ca -0.13 -0.22 0.49 0.00 -1.23 0.00 0.00 66.70 65.62 1uwo h VAL 56 Cb 1.25 0.31 -0.08 0.00 -2.13 0.00 0.00 31.29 30.65 1uwo h VAL 56 CO -0.01 0.11 1.18 0.23 -1.23 0.00 0.00 177.57 177.86 1uwo n MET 57 N -4.81 -0.00 -0.01 5.19 2.81 -1.21 0.22 117.12 119.32 1uwo n MET 57 Ca 0.06 0.97 -0.21 0.00 -1.81 0.00 0.00 57.70 56.71 1uwo n MET 57 Cb 0.13 -2.19 -0.14 0.00 -0.71 0.00 0.00 33.22 30.31 1uwo n MET 57 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1uwo h GLU 58 N 0.00 0.20 0.38 0.03 4.22 -1.41 -3.22 114.58 114.78 1uwo h GLU 58 Ca 0.82 -0.34 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 1uwo h GLU 58 Cb 3.20 0.13 0.00 0.00 0.50 0.00 0.00 28.75 32.58 1uwo h GLU 58 CO -0.07 1.17 -0.18 1.15 -2.18 0.00 0.00 179.01 178.90 1uwo h THR 59 N -0.44 0.00 -0.32 0.32 2.02 0.28 -3.30 112.91 111.47 1uwo h THR 59 Ca -0.27 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 66.85 1uwo h THR 59 Cb 1.64 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1uwo h THR 59 CO 0.03 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.66 1uwo h LEU 60 N -0.59 -0.70 -8.13 2.58 3.38 -0.72 -3.32 115.31 107.81 1uwo h LEU 60 Ca -0.05 0.11 -0.36 0.00 0.09 0.00 0.00 57.88 57.67 1uwo h LEU 60 Cb 0.39 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1uwo h LEU 60 CO 0.08 -0.08 1.57 -0.67 0.09 0.00 0.00 178.44 179.44 1uwo n ASP 61 N -3.73 0.08 -0.24 -0.43 -0.08 -1.22 -4.60 116.55 106.33 1uwo n ASP 61 Ca 0.01 -0.48 0.06 0.00 -1.51 0.00 0.00 54.79 52.87 1uwo n ASP 61 Cb 0.08 -0.97 -0.01 0.00 2.34 0.00 0.00 41.12 42.57 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 10.53 1.26 -0.13 1.67 4.13 -1.25 -4.57 115.26 126.90 1uwo n ASN 62 Ca 0.60 -1.13 -0.17 0.00 1.68 0.00 0.00 54.58 55.56 1uwo n ASN 62 Cb 0.20 0.51 -0.12 0.00 -1.54 0.00 0.00 39.78 38.84 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1uwo n ASP 63 N -0.31 2.00 0.00 6.41 -0.08 -1.26 -5.06 116.55 118.25 1uwo n ASP 63 Ca 0.05 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1uwo n ASP 63 Cb 0.24 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 64 N 2.29 0.81 0.57 0.27 0.00 -1.26 -5.05 105.19 102.82 1uwo n GLY 64 Ca -0.44 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.33 -2.18 1.61 2.03 -1.26 -4.96 116.55 111.47 1uwo n ASP 65 Ca 0.00 -0.89 -0.10 0.00 0.52 0.00 0.00 54.79 54.32 1uwo n ASP 65 Cb 0.00 0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwo n GLY 66 N 0.00 -0.17 3.16 0.27 0.00 -1.26 -4.91 105.19 102.28 1uwo n GLY 66 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.50 2.13 0.63 1.61 0.41 -1.26 -4.40 118.70 113.32 1uwo s GLU 67 Ca 0.00 -0.68 -0.12 0.00 -0.41 0.00 0.00 54.97 53.76 1uwo s GLU 67 Cb 0.00 -1.77 -0.03 0.00 -1.78 0.00 0.00 34.13 30.55 1uwo s GLU 67 CO 0.00 0.22 1.04 0.00 -0.49 0.00 0.00 175.26 176.03 1uwo s ASP 69 N -3.82 2.66 0.09 0.00 1.01 -1.26 -3.81 116.67 111.53 1uwo s ASP 69 Ca 0.57 -1.44 -0.28 0.00 0.71 0.00 0.00 52.55 52.11 1uwo s ASP 69 Cb -0.12 0.01 -0.14 0.00 1.01 0.00 0.00 42.92 43.67 1uwo s ASP 69 CO 0.50 -0.65 1.66 0.15 0.21 0.00 0.00 175.17 177.04 1uwo h PHE 70 N 1.99 -0.55 -0.37 4.23 3.04 -1.98 0.28 116.94 123.58 1uwo h PHE 70 Ca -0.40 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.65 1uwo h PHE 70 Cb 1.25 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1uwo h PHE 70 CO 0.78 -0.32 0.27 -0.56 -2.02 0.00 0.00 178.31 176.46 1uwo h GLN 71 N -0.51 0.00 0.00 1.11 -0.00 -1.99 0.24 115.11 113.96 1uwo h GLN 71 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.51 1uwo h GLN 71 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.90 1uwo h GLN 71 CO 0.02 0.00 -0.55 0.93 -0.00 0.00 0.00 178.83 179.23 1uwo h GLU 72 N 0.00 0.00 0.36 0.06 5.08 -1.56 -2.61 114.58 115.91 1uwo h GLU 72 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1uwo h GLU 72 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1uwo h GLU 72 CO -0.00 0.54 -0.17 0.35 -1.00 0.00 0.00 179.01 178.72 1uwo h PHE 73 N 0.00 -0.44 -0.72 4.33 3.57 0.30 0.46 116.94 124.44 1uwo h PHE 73 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1uwo h PHE 73 Cb 1.42 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 1uwo h PHE 73 CO 0.00 -0.11 0.39 0.52 -2.23 0.00 0.00 178.31 176.88 1uwo h MET 74 N -0.86 0.99 0.00 1.11 2.86 -1.56 0.58 114.93 118.05 1uwo h MET 74 Ca -0.05 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1uwo h MET 74 Cb 0.53 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1uwo h MET 74 CO 0.08 0.73 0.00 0.00 1.06 0.00 0.00 176.91 178.78 1uwo h ALA 75 N 1.43 1.00 0.02 6.32 0.00 -1.35 -2.34 119.26 124.34 1uwo h ALA 75 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uwo h ALA 75 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uwo h ALA 75 CO -0.04 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 179.55 1uwo h PHE 76 N 0.00 -0.02 -0.95 0.00 3.04 0.23 -1.51 116.94 117.73 1uwo h PHE 76 Ca 0.00 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1uwo h PHE 76 Cb 0.58 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.02 1uwo h PHE 76 CO 0.00 -0.01 0.61 0.28 -2.02 0.00 0.00 178.31 177.16 1uwo h VAL 77 N -0.05 0.90 0.00 1.41 2.07 -1.57 0.18 116.25 119.19 1uwo h VAL 77 Ca -0.00 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1uwo h VAL 77 Cb 0.02 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1uwo h VAL 77 CO 0.00 0.16 -0.27 0.00 0.02 0.00 0.00 177.57 177.48 1uwo h ALA 78 N 1.56 1.50 0.00 1.67 0.00 -1.52 -1.71 119.26 120.76 1uwo h ALA 78 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uwo h ALA 78 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1uwo h ALA 78 CO -0.23 0.34 -0.03 0.52 0.00 0.00 0.00 179.25 179.84 1uwo h MET 79 N 0.00 0.00 -0.09 0.00 2.07 0.38 -1.65 114.93 115.63 1uwo h MET 79 Ca -0.00 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.65 1uwo h MET 79 Cb 0.50 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1uwo h MET 79 CO 0.04 0.00 0.58 0.28 1.07 0.00 0.00 176.91 178.88 1uwo h VAL 80 N -0.23 0.04 0.00 -2.22 2.07 -1.22 2.35 116.25 117.03 1uwo h VAL 80 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1uwo h VAL 80 Cb 0.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1uwo h VAL 80 CO 0.00 0.00 -0.94 0.00 0.02 0.00 0.00 177.57 176.65 1uwo h THR 81 N 0.00 0.99 0.00 2.57 1.03 -1.40 -3.35 112.91 112.76 1uwo h THR 81 Ca 0.04 -2.10 -0.21 0.00 -0.01 0.00 0.00 66.41 64.14 1uwo h THR 81 Cb 1.21 2.23 -0.03 0.00 -1.07 0.00 0.00 68.15 70.49 1uwo h THR 81 CO -0.00 0.34 -1.20 1.07 -0.01 0.00 0.00 175.52 175.71 1uwo n THR 82 N -4.49 1.52 -0.34 0.00 5.66 -0.24 -2.91 114.28 113.49 1uwo n THR 82 Ca -0.26 -0.00 0.30 0.00 -3.05 0.00 0.00 64.05 61.04 1uwo n THR 82 Cb 0.60 -2.09 0.51 0.00 -1.55 0.00 0.00 70.33 67.80 1uwo n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uwo n ALA 83 N -3.48 1.00 0.00 1.79 0.00 0.78 0.15 120.51 120.75 1uwo n ALA 83 Ca -0.29 0.71 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1uwo n ALA 83 Cb 0.63 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 19.12 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 0.06 0.00 -0.87 0.00 2.76 0.16 -0.97 115.15 116.29 1uwo h HIS 85 Ca -0.39 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.83 1uwo h HIS 85 Cb 2.03 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.93 1uwo h HIS 85 CO 0.06 0.00 0.55 1.49 -1.30 0.00 0.00 177.93 178.73 1uwo h GLU 86 N 0.00 0.98 -0.53 5.26 4.81 -1.36 -1.83 114.58 121.92 1uwo h GLU 86 Ca 0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1uwo h GLU 86 Cb 0.42 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1uwo h GLU 86 CO 0.00 0.65 0.23 0.35 -0.73 0.00 0.00 179.01 179.52 1uwo h PHE 87 N 1.01 0.78 0.25 0.92 3.57 -1.42 -3.03 116.94 119.02 1uwo h PHE 87 Ca 0.37 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1uwo h PHE 87 Cb 0.13 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1uwo h PHE 87 CO -0.03 0.62 -0.30 0.74 -2.23 0.00 0.00 178.31 177.12 1uwo h PHE 88 N 0.71 -0.83 -3.64 0.41 -1.00 -1.46 -3.39 116.94 107.74 1uwo h PHE 88 Ca 0.18 0.01 -0.62 0.00 2.81 0.00 0.00 57.97 60.35 1uwo h PHE 88 Cb 0.15 0.33 -0.38 0.00 3.61 0.00 0.00 35.95 39.66 1uwo h PHE 88 CO 0.00 -0.38 -0.78 -1.21 -1.61 0.00 0.00 178.31 174.33 1uwo s GLU 89 N -4.63 1.62 -0.25 1.51 2.02 -0.97 -5.09 118.70 112.90 1uwo s GLU 89 Ca -0.10 -1.09 -0.26 0.00 0.02 0.00 0.00 54.97 53.53 1uwo s GLU 89 Cb 0.03 -2.63 0.13 0.00 0.10 0.00 0.00 34.13 31.75 1uwo s GLU 89 CO 0.35 -0.64 1.04 -1.58 0.02 0.00 0.00 175.26 174.45 1uwo s HIS 90 N 1.34 -0.43 0.00 1.61 2.46 -1.15 -4.62 115.29 114.50 1uwo s HIS 90 Ca -0.04 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.47 1uwo s HIS 90 Cb -0.19 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 1uwo s HIS 90 CO -0.07 -0.25 0.00 0.39 -2.47 0.00 0.00 174.74 172.34