#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 -0.53 0.00 -1.46 4.57 -2.04 -2.74 114.58 112.38 1uwo h GLU 2 Ca 0.00 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1uwo h GLU 2 Cb 0.00 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1uwo h GLU 2 CO 0.00 -0.35 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.17 1uwo h LEU 3 N -1.15 0.00 0.77 1.64 4.07 -2.04 -2.56 115.31 116.04 1uwo h LEU 3 Ca -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 1uwo h LEU 3 Cb 0.43 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.18 1uwo h LEU 3 CO 0.09 0.24 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.25 1uwo h GLU 4 N 0.00 -1.00 -0.80 1.13 4.22 -1.99 0.39 114.58 116.53 1uwo h GLU 4 Ca -0.00 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1uwo h GLU 4 Cb 0.80 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1uwo h GLU 4 CO 0.03 -0.66 0.52 -0.22 -2.18 0.00 0.00 179.01 176.50 1uwo h LYS 5 N -1.15 1.07 0.00 1.92 3.64 -1.53 0.03 116.57 120.54 1uwo h LYS 5 Ca -0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1uwo h LYS 5 Cb 0.79 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1uwo h LYS 5 CO 0.17 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 1uwo h ALA 6 N 1.28 1.00 0.02 5.00 0.00 -1.38 -2.55 119.26 122.63 1uwo h ALA 6 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1uwo h ALA 6 Cb -0.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1uwo h ALA 6 CO -0.06 0.00 -0.64 0.52 0.00 0.00 0.00 179.25 179.07 1uwo h MET 7 N 0.00 0.41 -0.52 0.00 2.86 0.18 -0.59 114.93 117.26 1uwo h MET 7 Ca 0.00 -0.46 -0.09 0.00 -2.06 0.00 0.00 59.70 57.09 1uwo h MET 7 Cb 0.33 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1uwo h MET 7 CO 0.00 1.13 -0.03 0.28 1.06 0.00 0.00 176.91 179.35 1uwo h VAL 8 N -0.12 1.26 0.11 -2.22 2.07 -1.15 -1.22 116.25 114.98 1uwo h VAL 8 Ca -0.08 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1uwo h VAL 8 Cb 1.36 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1uwo h VAL 8 CO 0.13 0.39 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1uwo h ALA 9 N 1.13 -0.29 -0.98 1.67 0.00 -1.51 -2.52 119.26 116.76 1uwo h ALA 9 Ca 0.15 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.35 1uwo h ALA 9 Cb 0.53 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.23 1uwo h ALA 9 CO 0.03 -0.28 0.47 -0.07 0.00 0.00 0.00 179.25 179.40 1uwo h LEU 10 N -0.47 0.33 -0.42 0.00 3.38 -1.19 0.68 115.31 117.61 1uwo h LEU 10 Ca -0.02 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1uwo h LEU 10 Cb 0.11 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1uwo h LEU 10 CO 0.02 -0.21 0.21 0.40 0.09 0.00 0.00 178.44 178.95 1uwo h ILE 11 N 0.23 1.17 -0.22 1.22 2.04 -1.29 -1.33 117.51 119.33 1uwo h ILE 11 Ca 0.71 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1uwo h ILE 11 Cb 1.65 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1uwo h ILE 11 CO -0.66 0.18 0.20 -0.78 0.00 0.00 0.00 178.15 177.09 1uwo h ASP 12 N 0.53 0.00 1.13 1.72 1.82 0.81 0.14 116.42 122.57 1uwo h ASP 12 Ca 0.14 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.60 1uwo h ASP 12 Cb 0.10 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 1uwo h ASP 12 CO -0.02 0.00 -0.87 0.58 -1.61 0.00 0.00 179.24 177.32 1uwo h VAL 13 N 0.00 1.50 -0.26 2.25 2.07 -0.62 -1.00 116.25 120.18 1uwo h VAL 13 Ca 0.11 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.47 1uwo h VAL 13 Cb 0.50 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1uwo h VAL 13 CO -0.00 0.85 -0.01 0.15 0.02 0.00 0.00 177.57 178.59 1uwo h PHE 14 N 0.00 0.51 0.12 1.57 3.57 -0.02 -1.34 116.94 121.34 1uwo h PHE 14 Ca -0.01 -0.09 -0.27 0.00 3.53 0.00 0.00 57.97 61.13 1uwo h PHE 14 Cb 1.67 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1uwo h PHE 14 CO 0.00 0.63 -1.24 0.45 -2.23 0.00 0.00 178.31 175.92 1uwo h HIS 15 N 0.24 0.45 0.60 0.41 3.86 -1.55 -2.29 115.15 116.87 1uwo h HIS 15 Ca 0.07 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.93 1uwo h HIS 15 Cb 0.43 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1uwo h HIS 15 CO 0.04 1.26 -0.29 0.37 0.86 0.00 0.00 177.93 180.17 1uwo h GLN 16 N 0.07 -0.78 -0.59 2.45 4.15 -1.14 0.95 115.11 120.22 1uwo h GLN 16 Ca -0.13 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.35 1uwo h GLN 16 Cb 1.96 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 29.79 1uwo h GLN 16 CO 0.19 -0.52 0.38 1.88 -1.93 0.00 0.00 178.83 178.83 1uwo h TYR 17 N -0.88 0.72 0.00 3.99 -1.99 -1.39 -0.15 116.97 117.26 1uwo h TYR 17 Ca -0.08 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1uwo h TYR 17 Cb 0.62 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 1uwo h TYR 17 CO 0.07 0.44 -0.01 0.66 -0.00 0.00 0.00 178.16 179.32 1uwo h SER 18 N 0.77 0.00 0.15 3.88 4.64 -1.38 -1.00 113.55 120.61 1uwo h SER 18 Ca 0.22 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 1uwo h SER 18 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1uwo h SER 18 CO -0.06 0.01 -0.28 1.23 -0.87 0.00 0.00 176.83 176.85 1uwo h GLY 19 N 0.23 0.23 0.26 -0.77 0.00 0.11 -2.77 103.07 100.36 1uwo h GLY 19 Ca -0.00 -0.18 0.15 0.00 0.00 0.00 0.00 47.33 47.30 1uwo h GLY 19 CO 0.00 0.16 0.51 3.21 0.00 0.00 0.00 176.54 180.42 1uwo h ARG 20 N 0.19 0.70 -5.77 4.80 2.47 -1.20 -3.24 114.38 112.34 1uwo h ARG 20 Ca 0.03 -0.04 -0.55 0.00 -1.26 0.00 0.00 59.98 58.15 1uwo h ARG 20 Cb 0.60 -0.16 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 1uwo h ARG 20 CO 0.04 0.46 1.72 -2.00 0.56 0.00 0.00 179.97 180.76 1uwo s GLU 21 N -5.95 3.45 0.55 0.04 2.12 -1.04 -4.83 118.70 113.03 1uwo s GLU 21 Ca -0.12 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 53.65 1uwo s GLU 21 Cb 0.22 -5.41 0.00 0.00 0.26 0.00 0.00 34.13 29.21 1uwo s GLU 21 CO 0.79 -2.79 0.00 0.41 -0.54 0.00 0.00 175.26 173.12 1uwo n GLY 22 N 5.78 0.51 0.00 -1.50 0.00 -1.22 -4.34 105.19 104.42 1uwo n GLY 22 Ca 0.45 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1uwo n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwo n ASP 23 N 2.69 0.00 -3.28 1.61 -0.08 -1.26 -4.84 116.55 111.39 1uwo n ASP 23 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1uwo n ASP 23 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1uwo n ASP 23 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1uwo s LYS 24 N 0.00 0.74 0.00 -0.67 -2.85 -1.25 -3.79 119.74 111.92 1uwo s LYS 24 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1uwo s LYS 24 Cb 0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.45 1uwo s LYS 24 CO 0.00 -1.20 0.00 0.72 0.10 0.00 0.00 175.35 174.97 1uwo n HIS 25 N 4.28 0.00 -4.56 1.78 8.25 -1.25 -4.74 115.22 118.98 1uwo n HIS 25 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.32 1uwo n HIS 25 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.51 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uwo s LYS 26 N -0.84 1.86 -0.01 -0.41 1.02 -1.25 -4.66 119.74 115.45 1uwo s LYS 26 Ca 0.00 -2.05 0.03 0.00 0.02 0.00 0.00 55.97 53.97 1uwo s LYS 26 Cb 0.00 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1uwo s LYS 26 CO 0.00 -0.10 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.76 1uwo s LEU 27 N -3.64 3.22 -1.00 3.17 1.02 -1.21 -4.15 118.68 116.09 1uwo s LEU 27 Ca 0.35 -0.11 -0.12 0.00 0.02 0.00 0.00 54.13 54.28 1uwo s LEU 27 Cb 0.09 -1.82 0.24 0.00 0.02 0.00 0.00 46.19 44.72 1uwo s LEU 27 CO 0.17 0.29 1.00 -0.75 0.02 0.00 0.00 176.35 177.09 1uwo s LYS 28 N -1.35 3.93 0.18 1.70 2.20 -1.26 -2.13 119.74 123.01 1uwo s LYS 28 Ca 0.17 -2.79 0.00 0.00 -0.36 0.00 0.00 55.97 52.99 1uwo s LYS 28 Cb -0.11 -4.57 0.00 0.00 -1.51 0.00 0.00 37.83 31.64 1uwo s LYS 28 CO 0.07 -1.33 0.00 1.17 -0.36 0.00 0.00 175.35 174.90 1uwo n LYS 29 N 3.65 0.00 -0.35 4.03 4.81 -1.25 -1.64 118.16 127.42 1uwo n LYS 29 Ca 0.21 0.00 0.33 0.00 -0.87 0.00 0.00 58.31 57.98 1uwo n LYS 29 Cb 0.43 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.17 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 0.12 -0.47 3.14 0.87 -1.97 0.40 113.55 115.64 1uwo h SER 30 Ca 0.00 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1uwo h SER 30 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1uwo h SER 30 CO 0.00 0.01 0.28 -0.33 -0.53 0.00 0.00 176.83 176.26 1uwo h GLU 31 N 0.10 0.55 0.40 2.24 3.07 -1.64 -1.65 114.58 117.65 1uwo h GLU 31 Ca 0.60 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.42 1uwo h GLU 31 Cb 2.17 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 1uwo h GLU 31 CO -0.10 0.36 -0.25 -0.07 -1.40 0.00 0.00 179.01 177.55 1uwo h LEU 32 N 0.56 -0.64 -0.92 1.33 3.38 -0.45 -2.01 115.31 116.56 1uwo h LEU 32 Ca 0.19 0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.45 1uwo h LEU 32 Cb 0.01 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 40.82 1uwo h LEU 32 CO -0.09 -0.40 0.40 0.50 0.09 0.00 0.00 178.44 178.94 1uwo h LYS 33 N -0.63 0.32 0.37 1.13 3.64 -1.18 0.05 116.57 120.27 1uwo h LYS 33 Ca -0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1uwo h LYS 33 Cb 0.52 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1uwo h LYS 33 CO 0.04 0.21 -0.45 0.93 -2.27 0.00 0.00 179.45 177.91 1uwo h GLU 34 N 0.33 -0.82 -0.99 1.90 3.07 -0.56 -0.95 114.58 116.55 1uwo h GLU 34 Ca 0.61 0.06 0.19 0.00 -0.50 0.00 0.00 59.36 59.71 1uwo h GLU 34 Cb 1.25 0.19 -0.11 0.00 -0.84 0.00 0.00 28.75 29.24 1uwo h GLU 34 CO -0.59 -0.55 0.59 -0.07 -1.40 0.00 0.00 179.01 177.00 1uwo h LEU 35 N -0.85 0.76 -1.24 1.33 3.38 -0.74 0.60 115.31 118.55 1uwo h LEU 35 Ca -0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1uwo h LEU 35 Cb 0.78 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1uwo h LEU 35 CO -0.11 0.27 0.27 0.40 0.09 0.00 0.00 178.44 179.36 1uwo h ILE 36 N 0.75 1.19 0.00 1.22 2.04 -0.30 -1.44 117.51 120.97 1uwo h ILE 36 Ca 0.57 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1uwo h ILE 36 Cb 0.88 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1uwo h ILE 36 CO -0.38 0.22 0.00 0.59 0.00 0.00 0.00 178.15 178.58 1uwo n ASN 37 N -4.36 0.00 -0.36 1.72 5.03 0.65 -0.57 115.26 117.36 1uwo n ASN 37 Ca 0.05 0.10 0.36 0.00 0.87 0.00 0.00 54.58 55.97 1uwo n ASN 37 Cb 0.13 -0.41 0.60 0.00 -1.02 0.00 0.00 39.78 39.08 1uwo n ASN 37 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 1uwo h ASN 38 N 0.00 0.00 0.00 6.41 -0.73 -0.14 -0.48 115.58 120.64 1uwo h ASN 38 Ca 0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 1uwo h ASN 38 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1uwo h ASN 38 CO 0.00 0.00 -1.61 -0.62 -0.37 0.00 0.00 177.43 174.83 1uwo n GLU 39 N -3.56 0.24 -2.82 6.67 -0.58 -0.62 -4.75 120.64 115.22 1uwo n GLU 39 Ca 0.29 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.75 1uwo n GLU 39 Cb 1.61 -1.02 -0.00 0.00 -0.57 0.00 0.00 31.44 31.46 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 -3.23 6.21 -0.65 -4.62 4.32 0.26 -4.64 117.00 114.66 1uwo n LEU 40 Ca -0.21 -5.46 0.06 0.00 -0.02 0.00 0.00 56.01 50.39 1uwo n LEU 40 Cb 0.67 -0.98 0.18 0.00 -1.62 0.00 0.00 43.42 41.67 1uwo n LEU 40 CO 0.05 2.09 0.64 -1.54 -1.22 0.00 0.00 177.39 177.41 1uwo n SER 41 N 0.12 3.16 0.04 -1.43 3.41 -0.26 -4.15 113.62 114.52 1uwo n SER 41 Ca 0.39 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1uwo n SER 41 Cb 0.32 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uwo n HIS 42 N -0.02 -0.35 -0.16 7.33 8.25 -1.26 -4.69 115.22 124.32 1uwo n HIS 42 Ca 0.14 0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1uwo n HIS 42 Cb 0.59 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 0.78 -3.46 4.41 3.57 -1.91 -3.36 116.94 116.97 1uwo h PHE 43 Ca 0.00 -0.09 -0.66 0.00 3.53 0.00 0.00 57.97 60.75 1uwo h PHE 43 Cb 0.30 -0.22 -0.39 0.00 2.79 0.00 0.00 35.95 38.44 1uwo h PHE 43 CO 0.00 0.70 -0.53 -0.48 -2.23 0.00 0.00 178.31 175.78 1uwo s LEU 44 N -9.63 4.72 0.00 0.59 2.34 -1.26 -4.90 118.68 110.55 1uwo s LEU 44 Ca -0.13 -2.89 0.07 0.00 0.06 0.00 0.00 54.13 51.24 1uwo s LEU 44 Cb 0.11 -1.73 0.23 0.00 -0.56 0.00 0.00 46.19 44.24 1uwo s LEU 44 CO 0.78 -0.30 1.18 -0.62 -1.06 0.00 0.00 176.35 176.34 1uwo n GLU 45 N 3.34 1.48 0.00 1.48 1.02 -1.26 -4.57 120.64 122.14 1uwo n GLU 45 Ca 0.06 -0.75 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1uwo n GLU 45 Cb 0.35 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1uwo n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1uwo n GLU 46 N 0.10 2.14 0.00 3.49 0.00 -1.26 -4.85 120.64 120.26 1uwo n GLU 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1uwo n GLU 46 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.62 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1uwo n ILE 47 N 0.00 0.00 0.00 3.84 5.41 -1.26 -4.86 119.36 122.48 1uwo n ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1uwo n ILE 47 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1uwo n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1uwo n LYS 48 N 4.81 0.00 -0.32 0.38 5.02 -1.26 -4.42 118.16 122.37 1uwo n LYS 48 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1uwo n LYS 48 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.22 1uwo n LYS 48 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1uwo n GLU 49 N 0.00 2.96 -1.68 1.97 -0.58 -1.26 -4.96 120.64 117.08 1uwo n GLU 49 Ca 0.00 -2.45 -0.01 0.00 -0.42 0.00 0.00 57.16 54.28 1uwo n GLU 49 Cb 0.00 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.32 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1uwo n GLN 50 N 0.09 -0.21 0.00 3.49 6.02 -1.26 -4.98 117.38 120.53 1uwo n GLN 50 Ca 0.17 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1uwo n GLN 50 Cb 0.66 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1uwo n GLN 50 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1uwo n GLU 51 N -1.62 0.00 0.07 -1.09 4.71 -1.26 -3.87 120.64 117.58 1uwo n GLU 51 Ca -0.01 0.23 0.09 0.00 -0.01 0.00 0.00 57.16 57.47 1uwo n GLU 51 Cb 0.51 -0.72 -0.04 0.00 -1.01 0.00 0.00 31.44 30.18 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1uwo n VAL 52 N -2.18 0.66 0.12 2.62 0.31 -1.26 -2.30 118.33 116.30 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 0.12 0.00 -0.91 0.00 0.00 33.84 32.68 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 1.46 0.12 2.52 2.07 -1.99 -1.14 116.25 119.30 1uwo h VAL 53 Ca -0.04 -2.24 -0.36 0.00 0.82 0.00 0.00 66.70 64.88 1uwo h VAL 53 Cb 1.12 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1uwo h VAL 53 CO 0.01 0.65 -1.96 -0.67 0.02 0.00 0.00 177.57 175.61 1uwo n ASP 54 N -3.77 2.12 -0.05 0.57 2.03 -1.25 -3.97 116.55 112.24 1uwo n ASP 54 Ca -0.01 0.23 -0.02 0.00 0.52 0.00 0.00 54.79 55.50 1uwo n ASP 54 Cb 0.66 -0.88 0.24 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.64 0.28 -0.67 1.79 -1.50 -3.04 116.57 114.10 1uwo h LYS 55 Ca -0.42 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1uwo h LYS 55 Cb 2.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 32.54 1uwo h LYS 55 CO 0.08 0.65 -0.36 -0.39 -1.08 0.00 0.00 179.45 178.36 1uwo h VAL 56 N 0.61 0.27 -1.50 0.50 -1.51 -1.35 -0.01 116.25 113.25 1uwo h VAL 56 Ca 0.13 0.00 0.44 0.00 -1.23 0.00 0.00 66.70 66.03 1uwo h VAL 56 Cb 0.37 0.27 -0.06 0.00 -2.13 0.00 0.00 31.29 29.74 1uwo h VAL 56 CO 0.01 0.00 1.26 0.24 -1.23 0.00 0.00 177.57 177.85 1uwo h MET 57 N -0.69 0.00 0.32 5.19 2.86 -1.66 0.95 114.93 121.90 1uwo h MET 57 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1uwo h MET 57 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1uwo h MET 57 CO -0.11 0.00 -0.15 1.49 1.06 0.00 0.00 176.91 179.20 1uwo h GLU 58 N 0.00 -0.41 0.00 1.72 4.57 -1.08 -2.63 114.58 116.75 1uwo h GLU 58 Ca 0.71 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.92 1uwo h GLU 58 Cb 3.22 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 31.90 1uwo h GLU 58 CO -0.01 -0.08 -0.05 1.15 -1.18 0.00 0.00 179.01 178.84 1uwo h THR 59 N -0.91 0.00 -1.21 0.32 2.02 0.21 -3.32 112.91 110.02 1uwo h THR 59 Ca -0.04 -0.83 0.43 0.00 0.77 0.00 0.00 66.41 66.73 1uwo h THR 59 Cb 0.52 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.80 1uwo h THR 59 CO 0.07 0.00 0.77 0.18 0.37 0.00 0.00 175.52 176.91 1uwo n LEU 60 N -4.30 0.20 -4.44 2.58 4.32 0.27 -3.12 117.00 112.52 1uwo n LEU 60 Ca -0.01 1.27 -0.44 0.00 -0.02 0.00 0.00 56.01 56.81 1uwo n LEU 60 Cb 0.03 -0.62 -0.03 0.00 -1.62 0.00 0.00 43.42 41.17 1uwo n LEU 60 CO 0.01 -1.38 0.78 -0.62 -1.22 0.00 0.00 177.39 174.96 1uwo s ASP 61 N -4.32 6.37 -0.02 -1.43 2.15 -0.99 -4.54 116.67 113.88 1uwo s ASP 61 Ca -0.07 -1.53 0.12 0.00 0.43 0.00 0.00 52.55 51.51 1uwo s ASP 61 Cb 0.28 -2.39 0.37 0.00 -0.30 0.00 0.00 42.92 40.88 1uwo s ASP 61 CO 0.73 -1.22 1.31 -3.20 -0.17 0.00 0.00 175.17 172.62 1uwo n ASN 62 N 6.94 3.17 0.00 -0.34 2.85 -1.18 -4.50 115.26 122.19 1uwo n ASN 62 Ca 0.07 -2.12 0.00 0.00 -0.11 0.00 0.00 54.58 52.41 1uwo n ASN 62 Cb 0.46 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1uwo n ASN 62 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1uwo n ASP 63 N 0.51 4.74 -1.40 1.20 9.92 -1.26 -5.10 116.55 125.15 1uwo n ASP 63 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1uwo n ASP 63 Cb 0.51 0.47 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 2.89 -2.65 0.00 0.44 0.00 -1.26 -5.00 105.19 99.60 1uwo n GLY 64 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.03 -1.26 -4.97 116.55 113.96 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.43 3.52 0.27 0.00 -1.26 -5.05 105.19 104.10 1uwo n GLY 66 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.49 3.32 0.39 1.61 2.02 -1.26 -3.87 118.70 120.43 1uwo s GLU 67 Ca 0.00 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.42 1uwo s GLU 67 Cb 0.00 -4.02 -0.09 0.00 0.10 0.00 0.00 34.13 30.12 1uwo s GLU 67 CO 0.00 -1.32 1.19 0.00 0.02 0.00 0.00 175.26 175.15 1uwo s ASP 69 N -1.05 4.17 0.21 0.00 1.01 -1.26 -3.29 116.67 116.46 1uwo s ASP 69 Ca 0.56 -1.19 -0.11 0.00 0.71 0.00 0.00 52.55 52.53 1uwo s ASP 69 Cb -0.32 -0.45 0.28 0.00 1.01 0.00 0.00 42.92 43.44 1uwo s ASP 69 CO 0.41 -0.48 1.69 0.15 0.21 0.00 0.00 175.17 177.15 1uwo h PHE 70 N 1.60 0.09 -0.92 4.23 3.04 -1.97 0.88 116.94 123.90 1uwo h PHE 70 Ca -0.43 0.04 0.23 0.00 3.98 0.00 0.00 57.97 61.79 1uwo h PHE 70 Cb 1.25 0.05 -0.13 0.00 2.56 0.00 0.00 35.95 39.68 1uwo h PHE 70 CO 0.68 -0.09 0.44 1.96 -2.02 0.00 0.00 178.31 179.28 1uwo h GLN 71 N 0.19 0.42 0.00 1.11 4.20 -1.97 0.47 115.11 119.52 1uwo h GLN 71 Ca 0.31 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 1uwo h GLN 71 Cb 0.48 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1uwo h GLN 71 CO -0.44 0.28 -0.48 1.05 -0.67 0.00 0.00 178.83 178.56 1uwo h GLU 72 N 0.43 0.00 0.78 1.46 -0.00 -1.13 -2.64 114.58 113.47 1uwo h GLU 72 Ca 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.91 1uwo h GLU 72 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1uwo h GLU 72 CO -0.52 0.48 -0.41 0.35 -0.00 0.00 0.00 179.01 178.90 1uwo h PHE 73 N 0.00 -1.08 -0.01 2.06 3.57 0.15 0.34 116.94 121.97 1uwo h PHE 73 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1uwo h PHE 73 Cb 1.32 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.43 1uwo h PHE 73 CO 0.00 -0.65 -0.01 1.98 -2.23 0.00 0.00 178.31 177.41 1uwo h MET 74 N -1.10 0.03 -0.17 1.11 4.05 -1.58 -2.45 114.93 114.82 1uwo h MET 74 Ca -0.11 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1uwo h MET 74 Cb 0.86 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1uwo h MET 74 CO 0.15 0.44 0.29 0.00 0.23 0.00 0.00 176.91 178.02 1uwo h ALA 75 N 0.59 1.68 0.31 0.39 0.00 -1.47 -0.62 119.26 120.14 1uwo h ALA 75 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1uwo h ALA 75 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uwo h ALA 75 CO 0.00 -0.38 -0.15 0.35 0.00 0.00 0.00 179.25 179.07 1uwo h PHE 76 N 0.00 -0.39 -0.25 0.00 3.57 0.17 -2.72 116.94 117.32 1uwo h PHE 76 Ca 0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1uwo h PHE 76 Cb 0.66 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1uwo h PHE 76 CO 0.00 -0.24 0.41 0.28 -2.23 0.00 0.00 178.31 176.53 1uwo h VAL 77 N -0.75 0.23 0.38 1.41 2.07 -1.13 0.23 116.25 118.69 1uwo h VAL 77 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1uwo h VAL 77 Cb 0.32 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1uwo h VAL 77 CO 0.07 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.48 1uwo h ALA 78 N 1.42 -0.51 0.03 1.67 0.00 -0.92 -0.55 119.26 120.39 1uwo h ALA 78 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uwo h ALA 78 Cb 0.94 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uwo h ALA 78 CO -0.00 -0.73 -0.01 0.52 0.00 0.00 0.00 179.25 179.03 1uwo h MET 79 N -0.63 -0.04 -1.13 0.00 2.86 -0.67 -1.98 114.93 113.35 1uwo h MET 79 Ca -0.05 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 57.92 1uwo h MET 79 Cb 0.46 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1uwo h MET 79 CO 0.09 -0.02 1.20 -0.39 1.06 0.00 0.00 176.91 178.84 1uwo h VAL 80 N -0.07 0.03 0.00 -2.22 -1.51 -1.50 2.65 116.25 113.63 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 0.03 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.24 1uwo h VAL 80 CO 0.01 0.00 -0.00 0.74 -1.23 0.00 0.00 177.57 177.09 1uwo h THR 81 N 0.00 0.00 0.00 7.19 2.02 -1.00 -3.15 112.91 117.97 1uwo h THR 81 Ca 0.54 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.71 1uwo h THR 81 Cb 2.93 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 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 1.72 -0.95 3.16 1.03 -0.35 -3.18 112.91 114.33 1uwo h THR 82 Ca -0.00 -2.12 0.24 0.00 -0.01 0.00 0.00 66.41 64.51 1uwo h THR 82 Cb 0.00 3.16 -0.18 0.00 -1.07 0.00 0.00 68.15 70.06 1uwo h THR 82 CO 0.00 0.55 -0.07 0.00 -0.01 0.00 0.00 175.52 175.99 1uwo n ALA 83 N -2.56 0.40 -0.08 0.00 0.00 0.87 0.13 120.51 119.27 1uwo n ALA 83 Ca -0.10 1.03 -0.10 0.00 0.00 0.00 0.00 53.44 54.27 1uwo n ALA 83 Cb 0.44 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.85 0.00 0.17 0.00 -0.00 0.34 -1.78 115.22 109.11 1uwo n HIS 85 Ca -0.02 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.26 1uwo n HIS 85 Cb 0.06 -0.50 0.10 0.00 -0.12 0.00 0.00 29.99 29.54 1uwo n HIS 85 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1uwo h GLU 86 N 0.00 0.00 -1.04 1.57 4.57 0.11 -3.29 114.58 116.50 1uwo h GLU 86 Ca 0.00 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.48 1uwo h GLU 86 Cb 0.21 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1uwo h GLU 86 CO 0.00 0.09 1.02 0.35 -1.18 0.00 0.00 179.01 179.30 1uwo h PHE 87 N 0.00 0.00 0.12 0.92 3.04 -1.21 0.24 116.94 120.04 1uwo h PHE 87 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1uwo h PHE 87 Cb 1.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.60 1uwo h PHE 87 CO 0.00 0.00 -0.06 0.74 -2.02 0.00 0.00 178.31 176.97 1uwo h PHE 88 N 0.00 -0.15 -3.27 0.41 -1.00 -1.80 -3.43 116.94 107.70 1uwo h PHE 88 Ca 0.49 -0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.69 1uwo h PHE 88 Cb 2.54 0.05 -0.08 0.00 3.61 0.00 0.00 35.95 42.06 1uwo h PHE 88 CO 0.00 0.33 -0.22 -2.00 -1.61 0.00 0.00 178.31 174.82 1uwo s GLU 89 N -3.12 4.25 -0.14 1.51 2.12 0.84 -5.06 118.70 119.10 1uwo s GLU 89 Ca -0.13 0.31 -0.04 0.00 0.36 0.00 0.00 54.97 55.48 1uwo s GLU 89 Cb -0.00 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 31.04 1uwo s GLU 89 CO 0.47 0.26 0.07 -1.58 -0.54 0.00 0.00 175.26 173.94 1uwo s HIS 90 N 0.34 0.35 -2.00 5.30 2.46 -1.26 -4.82 115.29 115.66 1uwo s HIS 90 Ca 0.22 -0.29 0.09 0.00 0.47 0.00 0.00 55.06 55.55 1uwo s HIS 90 Cb -0.14 -0.72 0.56 0.00 -0.13 0.00 0.00 32.58 32.15 1uwo s HIS 90 CO 0.08 -0.46 1.01 0.39 -2.47 0.00 0.00 174.74 173.29