#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwo h GLU 2 N 0.00 1.15 0.00 1.43 9.09 -2.04 -1.79 114.58 122.43 1uwo h GLU 2 Ca 0.00 -0.16 -0.18 0.00 0.05 0.00 0.00 59.36 59.07 1uwo h GLU 2 Cb 0.00 -0.21 -0.03 0.00 -1.65 0.00 0.00 28.75 26.86 1uwo h GLU 2 CO 0.00 0.87 -0.89 -0.07 0.05 0.00 0.00 179.01 178.97 1uwo h LEU 3 N 1.14 0.00 0.67 3.06 -0.00 -2.04 -2.31 115.31 115.82 1uwo h LEU 3 Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1uwo h LEU 3 Cb 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1uwo h LEU 3 CO -0.04 0.85 -0.32 -0.08 -0.00 0.00 0.00 178.44 178.85 1uwo h GLU 4 N 0.00 -0.86 -0.50 1.13 4.57 -1.87 0.17 114.58 117.22 1uwo h GLU 4 Ca -0.02 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1uwo h GLU 4 Cb 1.67 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 30.43 1uwo h GLU 4 CO 0.11 -0.54 -0.03 0.87 -1.18 0.00 0.00 179.01 178.24 1uwo h LYS 5 N -1.14 0.86 0.00 1.92 1.79 -1.47 -1.82 116.57 116.71 1uwo h LYS 5 Ca -0.09 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1uwo h LYS 5 Cb 0.72 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1uwo h LYS 5 CO 0.15 0.88 0.00 0.00 -1.08 0.00 0.00 179.45 179.40 1uwo h ALA 6 N 1.17 1.00 0.01 3.86 0.00 -1.39 -1.32 119.26 122.60 1uwo h ALA 6 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uwo h ALA 6 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1uwo h ALA 6 CO 0.03 0.00 -0.37 1.98 0.00 0.00 0.00 179.25 180.88 1uwo h MET 7 N 0.00 0.02 0.00 0.00 1.85 -0.10 -2.40 114.93 114.29 1uwo h MET 7 Ca 0.00 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.00 1uwo h MET 7 Cb 0.35 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1uwo h MET 7 CO 0.00 1.01 -0.31 0.28 -0.40 0.00 0.00 176.91 177.50 1uwo h VAL 8 N -0.96 0.99 0.04 -5.77 2.07 -1.36 -1.38 116.25 109.88 1uwo h VAL 8 Ca -0.10 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1uwo h VAL 8 Cb 1.11 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1uwo h VAL 8 CO -0.05 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 1uwo h ALA 9 N 1.69 -0.10 -0.70 1.67 0.00 -1.35 -2.41 119.26 118.07 1uwo h ALA 9 Ca -0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1uwo h ALA 9 Cb 0.63 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1uwo h ALA 9 CO 0.04 -0.10 0.15 -0.07 0.00 0.00 0.00 179.25 179.28 1uwo h LEU 10 N -0.45 -0.01 -0.55 0.00 3.38 -1.50 0.84 115.31 117.01 1uwo h LEU 10 Ca -0.01 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1uwo h LEU 10 Cb 0.04 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1uwo h LEU 10 CO 0.01 -0.03 0.33 0.40 0.09 0.00 0.00 178.44 179.24 1uwo h ILE 11 N 0.26 1.07 0.00 1.22 2.04 -1.38 0.32 117.51 121.04 1uwo h ILE 11 Ca 0.39 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1uwo h ILE 11 Cb 0.64 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1uwo h ILE 11 CO -0.49 0.12 -0.02 -0.78 0.00 0.00 0.00 178.15 176.98 1uwo h ASP 12 N 0.67 0.00 1.03 1.72 3.58 -0.35 -1.09 116.42 121.98 1uwo h ASP 12 Ca 0.22 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 1uwo h ASP 12 Cb 0.01 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1uwo h ASP 12 CO -0.09 0.02 -1.03 0.58 -2.88 0.00 0.00 179.24 175.84 1uwo h VAL 13 N 0.00 0.76 0.08 2.25 2.07 0.23 -1.88 116.25 119.77 1uwo h VAL 13 Ca -0.00 -2.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 1uwo h VAL 13 Cb 0.14 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1uwo h VAL 13 CO 0.00 0.43 -0.04 0.15 0.02 0.00 0.00 177.57 178.14 1uwo h PHE 14 N 0.00 -0.10 -0.00 1.57 3.57 -0.21 -0.71 116.94 121.05 1uwo h PHE 14 Ca -0.09 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 1uwo h PHE 14 Cb 1.54 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 1uwo h PHE 14 CO 0.00 0.43 -0.73 0.45 -2.23 0.00 0.00 178.31 176.23 1uwo h HIS 15 N -0.73 0.03 0.26 0.41 3.86 -1.63 -1.98 115.15 115.37 1uwo h HIS 15 Ca -0.01 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1uwo h HIS 15 Cb 0.57 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1uwo h HIS 15 CO 0.11 0.74 -0.12 0.37 0.86 0.00 0.00 177.93 179.89 1uwo h GLN 16 N 0.01 -0.34 -0.32 2.45 4.15 -1.39 0.11 115.11 119.80 1uwo h GLN 16 Ca -0.01 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.52 1uwo h GLN 16 Cb 1.29 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 1uwo h GLN 16 CO 0.10 -0.22 0.25 1.88 -1.93 0.00 0.00 178.83 178.90 1uwo h TYR 17 N -0.76 0.00 0.01 3.99 -1.99 -1.24 0.91 116.97 117.89 1uwo h TYR 17 Ca -0.04 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.50 1uwo h TYR 17 Cb 0.27 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1uwo h TYR 17 CO 0.03 0.00 -0.91 0.66 -0.00 0.00 0.00 178.16 177.93 1uwo h SER 18 N 0.00 0.09 0.22 3.88 4.64 -1.36 -3.09 113.55 117.92 1uwo h SER 18 Ca 0.15 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1uwo h SER 18 Cb 0.64 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1uwo h SER 18 CO -0.00 0.95 -0.03 1.23 -0.87 0.00 0.00 176.83 178.11 1uwo h GLY 19 N 2.40 0.00 2.00 -0.77 0.00 0.13 -1.01 103.07 105.82 1uwo h GLY 19 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1uwo h GLY 19 CO 0.13 0.00 -0.34 3.21 0.00 0.00 0.00 176.54 179.53 1uwo h ARG 20 N 0.00 0.00 -6.46 4.80 3.08 -1.45 -3.44 114.38 110.92 1uwo h ARG 20 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1uwo h ARG 20 Cb 0.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 1uwo h ARG 20 CO 0.00 0.34 -0.25 -2.00 -1.07 0.00 0.00 179.97 176.99 1uwo s GLU 21 N -3.94 3.04 0.10 0.04 2.12 -0.38 -5.01 118.70 114.68 1uwo s GLU 21 Ca -0.02 -0.89 -0.23 0.00 0.36 0.00 0.00 54.97 54.20 1uwo s GLU 21 Cb 0.13 -2.73 -0.07 0.00 0.26 0.00 0.00 34.13 31.72 1uwo s GLU 21 CO 0.69 -0.10 1.38 0.78 -0.54 0.00 0.00 175.26 177.47 1uwo h GLY 22 N 0.70 -1.33 -0.72 -1.50 0.00 -1.85 -3.40 103.07 94.97 1uwo h GLY 22 Ca -0.45 0.81 -0.30 0.00 0.00 0.00 0.00 47.33 47.39 1uwo h GLY 22 CO 0.53 -0.30 -0.04 1.22 0.00 0.00 0.00 176.54 177.95 1uwo n ASP 23 N -4.57 -2.97 -2.73 0.19 9.92 -1.26 -4.98 116.55 110.15 1uwo n ASP 23 Ca -0.01 -0.82 -0.05 0.00 -0.53 0.00 0.00 54.79 53.38 1uwo n ASP 23 Cb 0.22 -0.78 0.05 0.00 -0.64 0.00 0.00 41.12 39.97 1uwo n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1uwo n LYS 24 N -4.64 1.38 -0.66 -1.24 5.02 -1.26 -4.23 118.16 112.53 1uwo n LYS 24 Ca 0.11 -3.03 -0.03 0.00 -2.02 0.00 0.00 58.31 53.34 1uwo n LYS 24 Cb 0.47 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.43 0.00 -3.71 2.13 -0.00 -1.26 -4.71 115.22 107.24 1uwo n HIS 25 Ca 0.05 -0.21 -0.01 0.00 0.46 0.00 0.00 57.72 58.00 1uwo n HIS 25 Cb 0.82 0.35 -0.01 0.00 -0.12 0.00 0.00 29.99 31.03 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 0.00 0.90 0.34 1.57 -2.85 -1.26 -4.72 119.74 113.71 1uwo s LYS 26 Ca 0.00 -0.50 0.09 0.00 -1.00 0.00 0.00 55.97 54.57 1uwo s LYS 26 Cb 0.00 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1uwo s LYS 26 CO 0.00 -0.41 -0.10 -0.51 0.10 0.00 0.00 175.35 174.43 1uwo s LEU 27 N -2.97 2.71 -0.61 2.77 1.02 -1.24 -4.28 118.68 116.07 1uwo s LEU 27 Ca 0.13 -1.19 0.06 0.00 0.02 0.00 0.00 54.13 53.16 1uwo s LEU 27 Cb 0.01 -0.97 0.25 0.00 0.02 0.00 0.00 46.19 45.50 1uwo s LEU 27 CO 0.00 -0.20 0.73 2.29 0.02 0.00 0.00 176.35 179.19 1uwo n LYS 28 N -0.77 2.33 0.00 1.70 2.85 -1.26 -1.76 118.16 121.25 1uwo n LYS 28 Ca -0.05 -4.50 0.00 0.00 -1.05 0.00 0.00 58.31 52.71 1uwo n LYS 28 Cb 0.63 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 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 0.88 0.00 -0.36 -1.58 4.81 -1.26 -3.80 118.16 116.84 1uwo n LYS 29 Ca 0.29 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 58.02 1uwo n LYS 29 Cb 0.43 0.00 0.58 0.00 0.02 0.00 0.00 35.03 36.06 1uwo n LYS 29 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1uwo h SER 30 N 0.00 0.32 -0.65 3.14 0.87 -2.00 0.44 113.55 115.67 1uwo h SER 30 Ca 0.00 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1uwo h SER 30 Cb 0.00 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1uwo h SER 30 CO 0.00 -0.01 0.30 -0.33 -0.53 0.00 0.00 176.83 176.26 1uwo h GLU 31 N 0.25 0.94 0.47 2.24 3.07 -1.93 -2.69 114.58 116.93 1uwo h GLU 31 Ca 0.66 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.36 1uwo h GLU 31 Cb 1.95 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.68 1uwo h GLU 31 CO -0.29 0.77 -0.34 -0.07 -1.40 0.00 0.00 179.01 177.67 1uwo h LEU 32 N 0.90 -0.89 -0.93 1.33 3.38 -0.44 -1.44 115.31 117.22 1uwo h LEU 32 Ca 0.22 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.52 1uwo h LEU 32 Cb 0.14 0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.01 1uwo h LEU 32 CO -0.03 -0.51 0.14 0.11 0.09 0.00 0.00 178.44 178.24 1uwo h LYS 33 N -0.80 0.08 -0.58 1.13 1.79 -1.27 0.80 116.57 117.73 1uwo h LYS 33 Ca -0.05 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1uwo h LYS 33 Cb 0.67 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1uwo h LYS 33 CO 0.02 0.05 0.19 0.93 -1.08 0.00 0.00 179.45 179.56 1uwo h GLU 34 N 0.08 0.90 -0.17 3.15 3.07 -1.06 0.19 114.58 120.74 1uwo h GLU 34 Ca 0.59 -0.19 0.03 0.00 -0.50 0.00 0.00 59.36 59.30 1uwo h GLU 34 Cb 1.25 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.96 1uwo h GLU 34 CO -0.80 0.80 -0.54 -0.07 -1.40 0.00 0.00 179.01 177.00 1uwo h LEU 35 N 0.82 -1.71 -0.46 1.33 3.38 0.17 1.24 115.31 120.07 1uwo h LEU 35 Ca 0.19 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1uwo h LEU 35 Cb 0.27 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1uwo h LEU 35 CO -0.01 -0.46 0.00 0.40 0.09 0.00 0.00 178.44 178.46 1uwo h ILE 36 N -0.55 0.00 -0.07 1.22 5.03 -1.42 -2.36 117.51 119.36 1uwo h ILE 36 Ca 0.04 -0.54 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 1uwo h ILE 36 Cb 0.65 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1uwo h ILE 36 CO -0.45 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 177.61 1uwo n ASN 37 N -2.60 2.12 -0.01 1.72 5.03 0.67 -1.42 115.26 120.77 1uwo n ASN 37 Ca 0.03 -1.72 -0.00 0.00 0.87 0.00 0.00 54.58 53.77 1uwo n ASN 37 Cb 0.38 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 39.08 1uwo n ASN 37 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uwo n ASN 38 N 0.64 4.27 0.00 6.41 5.15 0.40 -4.75 115.26 127.39 1uwo n ASN 38 Ca 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1uwo n ASN 38 Cb 0.44 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 40.53 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1uwo n GLU 39 N -1.88 4.66 -2.78 1.20 -0.58 -0.91 -4.81 120.64 115.54 1uwo n GLU 39 Ca -0.03 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.44 1uwo n GLU 39 Cb 0.36 -0.34 -0.03 0.00 -0.57 0.00 0.00 31.44 30.86 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 -0.68 4.56 -0.51 -4.62 4.32 -0.51 -4.72 117.00 114.85 1uwo n LEU 40 Ca 0.00 -5.53 0.05 0.00 -0.02 0.00 0.00 56.01 50.51 1uwo n LEU 40 Cb 0.00 -0.52 0.13 0.00 -1.62 0.00 0.00 43.42 41.41 1uwo n LEU 40 CO 0.00 2.32 0.61 -1.54 -1.22 0.00 0.00 177.39 177.56 1uwo n SER 41 N -0.33 2.81 -0.10 -1.43 3.41 -1.24 -4.11 113.62 112.63 1uwo n SER 41 Ca 0.34 -2.13 -0.14 0.00 -0.26 0.00 0.00 58.87 56.68 1uwo n SER 41 Cb 0.48 -0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.15 0.00 -0.03 7.33 -0.00 -1.26 -3.82 115.22 117.60 1uwo n HIS 42 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.81 1uwo n HIS 42 Cb 0.44 -0.79 -0.01 0.00 -0.00 0.00 0.00 29.99 29.64 1uwo n HIS 42 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1uwo h PHE 43 N 0.00 0.00 -0.02 1.57 0.04 -1.94 -3.37 116.94 113.22 1uwo h PHE 43 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1uwo h PHE 43 Cb 1.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.88 1uwo h PHE 43 CO 0.02 0.00 0.00 1.47 -0.60 0.00 0.00 178.31 179.20 1uwo n LEU 44 N -3.17 0.17 0.00 1.54 -0.00 -1.26 -4.91 117.00 109.37 1uwo n LEU 44 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1uwo n LEU 44 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1uwo n LEU 44 CO 0.04 0.04 0.00 -0.62 -0.00 0.00 0.00 177.39 176.84 1uwo n GLU 45 N -0.58 0.00 -4.37 1.47 4.71 -1.25 -4.51 120.64 116.12 1uwo n GLU 45 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 57.03 1uwo n GLU 45 Cb 0.07 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.41 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1uwo s GLU 46 N 0.00 1.75 0.12 3.49 -1.05 -1.26 -4.13 118.70 117.62 1uwo s GLU 46 Ca 0.00 -2.03 -0.29 0.00 -0.15 0.00 0.00 54.97 52.50 1uwo s GLU 46 Cb 0.00 -0.07 -0.06 0.00 -0.44 0.00 0.00 34.13 33.55 1uwo s GLU 46 CO 0.00 -0.54 0.91 0.42 0.95 0.00 0.00 175.26 177.00 1uwo s ILE 47 N -3.44 4.48 -1.42 1.83 -1.09 -1.26 -4.94 121.20 115.35 1uwo s ILE 47 Ca 0.34 1.97 -0.08 0.00 -2.23 0.00 0.00 60.65 60.65 1uwo s ILE 47 Cb 0.03 -4.27 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1uwo s ILE 47 CO 0.20 0.36 2.50 0.29 -1.23 0.00 0.00 174.94 177.07 1uwo n LYS 48 N 2.55 4.10 0.00 2.79 5.02 -1.26 -4.64 118.16 126.72 1uwo n LYS 48 Ca 0.00 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.28 1uwo n LYS 48 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 2.83 0.00 0.00 1.97 2.13 -1.26 -4.13 120.64 122.18 1uwo n GLU 49 Ca 0.64 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1uwo n GLU 49 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 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 -1.26 -4.94 117.38 122.51 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 0.09 -1.09 2.13 -1.26 -3.81 120.64 116.70 1uwo n GLU 51 Ca 0.00 0.26 0.10 0.00 0.66 0.00 0.00 57.16 58.18 1uwo n GLU 51 Cb 0.00 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.94 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 -2.19 0.67 0.10 6.31 0.31 -1.26 -2.46 118.33 119.80 1uwo n VAL 52 Ca 0.00 -0.57 -0.03 0.00 -0.01 0.00 0.00 64.34 63.73 1uwo n VAL 52 Cb 0.00 -0.37 0.02 0.00 -0.91 0.00 0.00 33.84 32.57 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 1.48 0.03 2.52 2.07 -1.97 -1.23 116.25 119.15 1uwo h VAL 53 Ca -0.02 -2.77 -0.31 0.00 0.82 0.00 0.00 66.70 64.42 1uwo h VAL 53 Cb 1.08 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 1uwo h VAL 53 CO 0.01 0.77 -1.77 -0.67 0.02 0.00 0.00 177.57 175.92 1uwo n ASP 54 N -3.48 1.18 0.05 0.57 2.03 -1.25 -3.83 116.55 111.82 1uwo n ASP 54 Ca -0.00 0.37 -0.17 0.00 0.52 0.00 0.00 54.79 55.51 1uwo n ASP 54 Cb 0.79 -0.27 -0.07 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.02 0.55 0.08 -0.67 3.11 -1.53 -3.30 116.57 114.83 1uwo h LYS 55 Ca -0.32 -0.59 0.02 0.00 -2.81 0.00 0.00 60.65 56.95 1uwo h LYS 55 Cb 2.02 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 33.39 1uwo h LYS 55 CO 0.08 1.21 -0.19 -0.39 -2.81 0.00 0.00 179.45 177.35 1uwo h VAL 56 N 0.31 0.56 -1.77 2.00 -1.51 -1.37 -0.47 116.25 113.99 1uwo h VAL 56 Ca -0.10 0.00 0.51 0.00 -1.23 0.00 0.00 66.70 65.88 1uwo h VAL 56 Cb 1.63 0.56 -0.07 0.00 -2.13 0.00 0.00 31.29 31.28 1uwo h VAL 56 CO 0.18 0.00 1.38 -0.03 -1.23 0.00 0.00 177.57 177.87 1uwo h MET 57 N -0.36 0.00 0.01 5.19 4.05 -1.66 1.41 114.93 123.57 1uwo h MET 57 Ca 0.03 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1uwo h MET 57 Cb 0.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1uwo h MET 57 CO -0.12 0.00 -0.01 1.49 0.23 0.00 0.00 176.91 178.50 1uwo h GLU 58 N 0.00 -0.02 0.02 0.39 4.57 -1.23 -2.70 114.58 115.62 1uwo h GLU 58 Ca 0.84 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 59.02 1uwo h GLU 58 Cb 3.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 32.19 1uwo h GLU 58 CO -0.01 0.70 -0.01 1.15 -1.18 0.00 0.00 179.01 179.66 1uwo h THR 59 N -0.77 0.00 -0.90 0.32 2.02 0.16 -3.34 112.91 110.40 1uwo h THR 59 Ca -0.00 -0.50 0.22 0.00 0.77 0.00 0.00 66.41 66.90 1uwo h THR 59 Cb 0.72 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.97 1uwo h THR 59 CO 0.00 0.00 -0.07 0.18 0.37 0.00 0.00 175.52 176.00 1uwo n LEU 60 N -3.47 -0.19 -4.47 2.58 4.32 0.28 -2.56 117.00 113.50 1uwo n LEU 60 Ca -0.00 1.54 -0.44 0.00 -0.02 0.00 0.00 56.01 57.09 1uwo n LEU 60 Cb 0.01 -0.53 -0.02 0.00 -1.62 0.00 0.00 43.42 41.27 1uwo n LEU 60 CO 0.01 -1.53 1.18 -0.62 -1.22 0.00 0.00 177.39 175.21 1uwo s ASP 61 N -5.09 6.75 0.00 -1.43 2.15 -1.02 -4.59 116.67 113.44 1uwo s ASP 61 Ca -0.12 -2.27 0.00 0.00 0.43 0.00 0.00 52.55 50.59 1uwo s ASP 61 Cb 0.26 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1uwo s ASP 61 CO 0.71 -1.02 0.09 0.59 -0.17 0.00 0.00 175.17 175.37 1uwo n ASN 62 N 6.59 0.18 0.08 -0.34 3.02 -1.06 -4.72 115.26 119.00 1uwo n ASN 62 Ca 0.29 -0.53 -0.21 0.00 -0.03 0.00 0.00 54.58 54.10 1uwo n ASN 62 Cb 0.47 0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 40.10 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1uwo h ASP 63 N 0.00 0.74 0.00 6.41 1.82 -1.88 -3.49 116.42 120.01 1uwo h ASP 63 Ca 0.00 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 55.78 1uwo h ASP 63 Cb 0.03 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.80 1uwo h ASP 63 CO 0.00 1.52 0.00 0.61 -1.61 0.00 0.00 179.24 179.76 1uwo n GLY 64 N 1.44 -0.02 0.00 -0.78 0.00 -1.26 -5.06 105.19 99.51 1uwo n GLY 64 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.99 116.55 111.83 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 -0.38 1.42 3.68 0.27 0.00 -1.26 -5.08 105.19 103.84 1uwo n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.58 2.64 0.49 1.61 2.02 -1.26 -4.70 118.70 118.91 1uwo s GLU 67 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 1uwo s GLU 67 Cb 0.00 -2.58 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 1uwo s GLU 67 CO 0.00 0.58 1.15 0.00 0.02 0.00 0.00 175.26 177.01 1uwo s ASP 69 N -1.52 4.19 0.07 0.00 -4.77 -1.26 -3.73 116.67 109.66 1uwo s ASP 69 Ca 0.67 -1.25 -0.26 0.00 -3.30 0.00 0.00 52.55 48.42 1uwo s ASP 69 Cb -0.27 -0.34 -0.17 0.00 -1.09 0.00 0.00 42.92 41.06 1uwo s ASP 69 CO 0.32 -0.55 1.63 0.15 0.70 0.00 0.00 175.17 177.41 1uwo h PHE 70 N 1.53 -0.24 -0.99 2.11 3.04 -1.97 0.13 116.94 120.55 1uwo h PHE 70 Ca -0.43 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 61.69 1uwo h PHE 70 Cb 1.25 0.08 -0.10 0.00 2.56 0.00 0.00 35.95 39.75 1uwo h PHE 70 CO 0.75 -0.09 0.62 1.96 -2.02 0.00 0.00 178.31 179.52 1uwo h GLN 71 N -0.33 0.74 0.00 1.11 7.50 -1.98 0.31 115.11 122.46 1uwo h GLN 71 Ca -0.03 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.03 1uwo h GLN 71 Cb 0.26 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 1uwo h GLN 71 CO 0.04 0.49 -0.25 1.05 -1.50 0.00 0.00 178.83 178.66 1uwo h GLU 72 N 0.76 0.00 0.86 1.46 4.11 -1.73 -2.65 114.58 117.39 1uwo h GLU 72 Ca 0.55 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.94 1uwo h GLU 72 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1uwo h GLU 72 CO -0.33 0.25 -0.41 0.35 0.07 0.00 0.00 179.01 178.94 1uwo h PHE 73 N 0.00 -1.07 -0.35 2.06 3.57 0.24 0.36 116.94 121.75 1uwo h PHE 73 Ca -0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1uwo h PHE 73 Cb 1.17 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1uwo h PHE 73 CO 0.00 -0.66 0.06 1.98 -2.23 0.00 0.00 178.31 177.45 1uwo h MET 74 N -1.27 0.59 0.00 1.11 4.05 -1.59 -1.65 114.93 116.16 1uwo h MET 74 Ca -0.12 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1uwo h MET 74 Cb 0.89 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1uwo h MET 74 CO 0.19 0.66 -0.00 0.00 0.23 0.00 0.00 176.91 177.99 1uwo h ALA 75 N 0.90 1.21 0.28 0.39 0.00 -1.44 -0.46 119.26 120.14 1uwo h ALA 75 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uwo h ALA 75 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1uwo h ALA 75 CO 0.01 0.00 -0.13 0.35 0.00 0.00 0.00 179.25 179.48 1uwo h PHE 76 N 0.00 -0.35 -0.11 0.00 3.57 0.70 -2.63 116.94 118.13 1uwo h PHE 76 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1uwo h PHE 76 Cb 0.01 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1uwo h PHE 76 CO 0.00 -0.22 0.20 0.28 -2.23 0.00 0.00 178.31 176.34 1uwo h VAL 77 N -0.74 0.26 -0.00 1.41 2.07 -1.24 -0.59 116.25 117.41 1uwo h VAL 77 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1uwo h VAL 77 Cb 0.29 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1uwo h VAL 77 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1uwo h ALA 78 N 1.71 0.00 -0.03 1.67 0.00 -0.97 -0.79 119.26 120.85 1uwo h ALA 78 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uwo h ALA 78 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uwo h ALA 78 CO -0.00 -0.41 0.00 -1.33 0.00 0.00 0.00 179.25 177.51 1uwo n MET 79 N -5.00 0.00 -0.25 0.00 2.81 -0.29 -1.66 117.12 112.73 1uwo n MET 79 Ca -0.07 0.49 0.30 0.00 -1.81 0.00 0.00 57.70 56.61 1uwo n MET 79 Cb 0.11 -1.18 0.51 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.04 0.00 2.03 -1.51 -1.53 2.67 116.25 117.94 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 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.22 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 0.00 7.19 2.02 -1.09 -3.19 112.91 117.83 1uwo h THR 81 Ca 0.52 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 1uwo h THR 81 Cb 2.87 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1uwo h THR 81 CO -0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.87 1uwo h THR 82 N -0.00 1.71 -0.96 3.16 1.03 -0.23 -3.19 112.91 114.41 1uwo h THR 82 Ca -0.00 -2.09 0.23 0.00 -0.01 0.00 0.00 66.41 64.54 1uwo h THR 82 Cb 0.00 3.13 -0.18 0.00 -1.07 0.00 0.00 68.15 70.03 1uwo h THR 82 CO 0.00 0.54 -0.10 0.00 -0.01 0.00 0.00 175.52 175.95 1uwo n ALA 83 N -2.55 0.37 -0.11 0.00 0.00 0.88 0.12 120.51 119.21 1uwo n ALA 83 Ca -0.10 1.04 -0.09 0.00 0.00 0.00 0.00 53.44 54.30 1uwo n ALA 83 Cb 0.44 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -4.80 0.20 0.04 0.00 8.25 0.31 -2.36 115.22 116.87 1uwo n HIS 85 Ca -0.01 0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 1uwo n HIS 85 Cb 0.06 -0.63 -0.14 0.00 1.12 0.00 0.00 29.99 30.39 1uwo n HIS 85 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1uwo h GLU 86 N 0.00 0.26 -0.93 -0.41 4.57 0.11 -3.31 114.58 114.86 1uwo h GLU 86 Ca 0.00 -0.44 0.27 0.00 -1.18 0.00 0.00 59.36 58.01 1uwo h GLU 86 Cb 0.24 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1uwo h GLU 86 CO 0.00 1.12 0.96 0.35 -1.18 0.00 0.00 179.01 180.25 1uwo h PHE 87 N 0.07 0.00 0.07 0.92 3.57 -0.96 -1.49 116.94 119.12 1uwo h PHE 87 Ca -0.32 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 1uwo h PHE 87 Cb 2.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.78 1uwo h PHE 87 CO 0.07 0.00 -0.03 0.35 -2.23 0.00 0.00 178.31 176.46 1uwo h PHE 88 N 0.00 -0.09 -4.28 0.41 3.04 -1.71 -3.45 116.94 110.85 1uwo h PHE 88 Ca 0.44 -0.00 -0.47 0.00 3.98 0.00 0.00 57.97 61.92 1uwo h PHE 88 Cb 2.35 0.03 0.12 0.00 2.56 0.00 0.00 35.95 41.01 1uwo h PHE 88 CO 0.00 -0.06 0.32 -2.00 -2.02 0.00 0.00 178.31 174.56 1uwo s GLU 89 N -2.02 1.63 -0.02 1.11 2.12 -0.56 -5.07 118.70 115.88 1uwo s GLU 89 Ca -0.01 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1uwo s GLU 89 Cb 0.00 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.53 1uwo s GLU 89 CO 0.04 -1.89 0.02 -3.38 -0.54 0.00 0.00 175.26 169.51 1uwo s HIS 90 N -3.23 0.07 -2.49 5.30 -3.43 -1.26 -4.87 115.29 105.38 1uwo s HIS 90 Ca 0.62 0.09 0.28 0.00 -0.80 0.00 0.00 55.06 55.26 1uwo s HIS 90 Cb -0.14 -0.23 1.08 0.00 -1.43 0.00 0.00 32.58 31.85 1uwo s HIS 90 CO 0.54 -0.08 1.76 0.39 -2.00 0.00 0.00 174.74 175.34