#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 -0.04 0.00 -1.46 4.81 -2.04 -2.08 114.58 113.77 1uwo h GLU 2 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1uwo h GLU 2 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1uwo h GLU 2 CO 0.00 0.18 -0.75 -0.07 -0.73 0.00 0.00 179.01 177.64 1uwo h LEU 3 N -0.26 0.00 0.05 1.64 4.07 -2.03 -2.61 115.31 116.16 1uwo h LEU 3 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1uwo h LEU 3 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1uwo h LEU 3 CO 0.01 0.75 -0.02 -0.08 -1.08 0.00 0.00 178.44 178.01 1uwo h GLU 4 N 0.00 -0.07 0.12 1.13 4.81 -1.96 0.60 114.58 119.21 1uwo h GLU 4 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1uwo h GLU 4 Cb 1.57 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1uwo h GLU 4 CO 0.10 0.00 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.10 1uwo h LYS 5 N -0.12 -0.16 0.00 1.92 3.64 -1.46 -2.76 116.57 117.63 1uwo h LYS 5 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1uwo h LYS 5 Cb 0.10 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1uwo h LYS 5 CO 0.01 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 1uwo n ALA 6 N -2.49 1.15 -0.05 5.00 0.00 -0.98 -2.19 120.51 120.94 1uwo n ALA 6 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1uwo n ALA 6 Cb 0.27 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1uwo n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1uwo h MET 7 N 0.00 0.00 -0.13 0.00 1.85 0.43 -1.85 114.93 115.23 1uwo h MET 7 Ca 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 1uwo h MET 7 Cb 0.06 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 1uwo h MET 7 CO 0.00 0.09 0.17 0.28 -0.40 0.00 0.00 176.91 177.06 1uwo h VAL 8 N -1.00 0.39 0.01 -5.77 2.07 -1.25 -1.29 116.25 109.41 1uwo h VAL 8 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uwo h VAL 8 Cb 0.10 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1uwo h VAL 8 CO -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.59 1uwo h ALA 9 N 1.77 -0.01 0.72 1.67 0.00 -1.50 -2.13 119.26 119.78 1uwo h ALA 9 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1uwo h ALA 9 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1uwo h ALA 9 CO -0.00 -0.03 -0.47 -0.07 0.00 0.00 0.00 179.25 178.68 1uwo h LEU 10 N -0.97 -1.20 -0.74 0.00 3.38 -0.67 -0.91 115.31 114.20 1uwo h LEU 10 Ca -0.00 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1uwo h LEU 10 Cb 0.79 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1uwo h LEU 10 CO 0.00 -0.71 0.34 0.40 0.09 0.00 0.00 178.44 178.57 1uwo h ILE 11 N -1.12 0.76 -0.89 1.22 2.04 -1.43 0.18 117.51 118.27 1uwo h ILE 11 Ca -0.10 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 65.72 1uwo h ILE 11 Cb 0.91 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 1uwo h ILE 11 CO 0.08 0.10 0.57 0.44 0.00 0.00 0.00 178.15 179.34 1uwo h ASP 12 N 0.54 0.66 -0.59 1.72 5.19 -0.95 0.43 116.42 123.42 1uwo h ASP 12 Ca 0.39 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.74 1uwo h ASP 12 Cb 0.51 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1uwo h ASP 12 CO -0.33 0.33 -0.02 1.62 -3.12 0.00 0.00 179.24 177.72 1uwo h VAL 13 N 0.70 1.27 0.28 -1.35 3.04 0.76 0.15 116.25 121.09 1uwo h VAL 13 Ca 0.44 -1.17 -0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1uwo h VAL 13 Cb 0.70 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1uwo h VAL 13 CO -0.20 0.42 -0.37 0.15 -1.01 0.00 0.00 177.57 176.56 1uwo h PHE 14 N 0.96 -1.05 0.00 3.17 3.04 -0.49 0.23 116.94 122.80 1uwo h PHE 14 Ca 0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1uwo h PHE 14 Cb 0.58 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.51 1uwo h PHE 14 CO 0.04 -0.47 0.00 1.58 -2.02 0.00 0.00 178.31 177.44 1uwo n HIS 15 N -4.62 0.01 0.11 0.41 -0.00 -1.05 -1.16 115.22 108.91 1uwo n HIS 15 Ca -0.08 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.06 1uwo n HIS 15 Cb 0.32 -0.50 -0.02 0.00 -0.12 0.00 0.00 29.99 29.67 1uwo n HIS 15 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1uwo h GLN 16 N 0.00 -0.28 -0.36 1.57 5.75 0.24 -3.39 115.11 118.64 1uwo h GLN 16 Ca 0.00 0.02 -0.27 0.00 -0.15 0.00 0.00 58.65 58.25 1uwo h GLN 16 Cb 0.16 0.06 -0.27 0.00 1.07 0.00 0.00 27.48 28.50 1uwo h GLN 16 CO 0.00 -0.19 -0.78 2.48 -2.65 0.00 0.00 178.83 177.70 1uwo n TYR 17 N -3.11 1.27 0.06 3.99 4.11 -0.95 -4.70 117.16 117.83 1uwo n TYR 17 Ca -0.04 -1.76 0.07 0.00 -0.00 0.00 0.00 57.90 56.17 1uwo n TYR 17 Cb 0.11 -0.27 -0.05 0.00 -0.00 0.00 0.00 39.34 39.13 1uwo n TYR 17 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1uwo n SER 18 N -0.70 0.74 -1.63 9.48 7.64 -0.31 -3.88 113.62 124.97 1uwo n SER 18 Ca 0.26 0.30 0.06 0.00 1.01 0.00 0.00 58.87 60.50 1uwo n SER 18 Cb 0.87 0.52 0.35 0.00 -1.01 0.00 0.00 64.21 64.94 1uwo n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwo n GLY 19 N 1.28 3.41 0.43 0.23 0.00 -1.26 -4.11 105.19 105.17 1uwo n GLY 19 Ca -0.05 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 3.18 -1.05 -5.72 1.61 2.47 -1.80 -3.45 114.38 109.63 1uwo h ARG 20 Ca 0.04 0.07 -0.56 0.00 -1.26 0.00 0.00 59.98 58.27 1uwo h ARG 20 Cb 1.89 0.24 -0.14 0.00 -1.65 0.00 0.00 29.97 30.31 1uwo h ARG 20 CO 0.45 -0.70 -0.68 -1.21 0.56 0.00 0.00 179.97 178.40 1uwo s GLU 21 N -5.34 1.68 6.85 0.04 2.02 -1.26 -5.01 118.70 117.68 1uwo s GLU 21 Ca -0.16 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 52.97 1uwo s GLU 21 Cb 0.02 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1uwo s GLU 21 CO 0.48 0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1uwo n GLY 22 N -0.69 1.60 0.00 -1.39 0.00 -1.26 -4.76 105.19 98.69 1uwo n GLY 22 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1uwo n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 23 N 6.71 0.00 -3.08 1.61 8.00 -1.26 -5.06 116.55 123.47 1uwo n ASP 23 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1uwo n ASP 23 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1uwo n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1uwo n LYS 24 N 0.00 0.83 0.00 -1.24 4.81 -1.26 -4.49 118.16 116.81 1uwo n LYS 24 Ca 0.00 -2.92 0.00 0.00 -0.87 0.00 0.00 58.31 54.52 1uwo n LYS 24 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1uwo n LYS 24 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1uwo n HIS 25 N 0.98 0.00 -4.51 5.64 1.44 -1.26 -4.81 115.22 112.70 1uwo n HIS 25 Ca 0.19 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.66 1uwo n HIS 25 Cb 0.60 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.61 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1uwo s LYS 26 N -0.70 1.77 0.43 -1.40 1.02 -1.26 -4.85 119.74 114.75 1uwo s LYS 26 Ca 0.00 -1.99 0.08 0.00 0.02 0.00 0.00 55.97 54.07 1uwo s LYS 26 Cb 0.00 -1.11 -0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1uwo s LYS 26 CO 0.00 -0.16 0.46 -0.51 -0.92 0.00 0.00 175.35 174.23 1uwo s LEU 27 N -3.57 3.46 -0.47 3.17 1.43 -1.20 -4.67 118.68 116.83 1uwo s LEU 27 Ca 0.35 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1uwo s LEU 27 Cb 0.09 -2.24 0.25 0.00 0.03 0.00 0.00 46.19 44.32 1uwo s LEU 27 CO 0.16 -0.73 0.60 2.29 0.23 0.00 0.00 176.35 178.90 1uwo n LYS 28 N -1.69 1.31 0.00 1.70 2.85 -1.25 -1.69 118.16 119.38 1uwo n LYS 28 Ca 0.05 -3.69 0.00 0.00 -1.05 0.00 0.00 58.31 53.62 1uwo n LYS 28 Cb 0.61 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 1.21 0.00 -0.31 -1.58 3.00 -1.26 -3.95 118.16 115.26 1uwo n LYS 29 Ca 0.24 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.72 1uwo n LYS 29 Cb 0.49 0.00 0.36 0.00 0.00 0.00 0.00 35.03 35.88 1uwo n LYS 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1uwo h SER 30 N 0.00 0.29 -0.98 3.14 0.02 -1.98 0.53 113.55 114.58 1uwo h SER 30 Ca 0.00 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1uwo h SER 30 Cb 0.00 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1uwo h SER 30 CO 0.00 -0.09 0.65 -0.33 -1.14 0.00 0.00 176.83 175.92 1uwo h GLU 31 N 0.32 1.28 0.58 3.45 4.39 -1.94 -2.76 114.58 119.90 1uwo h GLU 31 Ca 0.62 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 1uwo h GLU 31 Cb 1.28 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1uwo h GLU 31 CO -0.59 0.85 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.53 1uwo h LEU 32 N 1.32 -1.35 -0.91 1.33 4.07 -0.24 -1.11 115.31 118.41 1uwo h LEU 32 Ca 0.36 0.10 0.17 0.00 0.08 0.00 0.00 57.88 58.60 1uwo h LEU 32 Cb -0.14 0.43 -0.17 0.00 1.08 0.00 0.00 40.66 41.86 1uwo h LEU 32 CO -0.08 -0.69 -0.26 0.11 -1.08 0.00 0.00 178.44 176.43 1uwo h LYS 33 N -1.06 -0.01 -0.94 1.13 1.57 -1.19 0.73 116.57 116.80 1uwo h LYS 33 Ca -0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1uwo h LYS 33 Cb 0.90 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1uwo h LYS 33 CO -0.02 -0.01 0.61 1.49 -0.57 0.00 0.00 179.45 180.95 1uwo h GLU 34 N -0.01 1.24 0.06 3.15 4.57 -1.22 0.80 114.58 123.18 1uwo h GLU 34 Ca 0.41 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1uwo h GLU 34 Cb 0.65 -0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1uwo h GLU 34 CO -0.94 0.84 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.28 1uwo h LEU 35 N 1.28 -1.12 0.00 1.64 -0.00 0.18 -1.39 115.31 115.89 1uwo h LEU 35 Ca 0.34 0.13 -0.10 0.00 -0.00 0.00 0.00 57.88 58.25 1uwo h LEU 35 Cb -0.12 0.43 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1uwo h LEU 35 CO -0.07 -0.44 -1.05 -0.38 -0.00 0.00 0.00 178.44 176.50 1uwo n ILE 36 N -5.44 1.48 -0.20 1.22 -0.00 -1.00 -1.97 119.36 113.44 1uwo n ILE 36 Ca -0.06 0.08 0.30 0.00 -0.00 0.00 0.00 62.75 63.06 1uwo n ILE 36 Cb 0.36 -2.26 0.58 0.00 -0.00 0.00 0.00 39.64 38.32 1uwo n ILE 36 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1uwo h ASN 37 N -1.00 0.00 0.00 4.38 -0.26 0.48 0.40 115.58 119.59 1uwo h ASN 37 Ca -0.15 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.18 1uwo h ASN 37 Cb 0.93 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.12 1uwo h ASN 37 CO -0.09 0.00 -2.48 -3.20 -1.06 0.00 0.00 177.43 170.59 1uwo n ASN 38 N -3.50 1.98 0.13 5.81 5.15 -0.53 -3.51 115.26 120.79 1uwo n ASN 38 Ca 0.22 -0.04 -0.06 0.00 -0.60 0.00 0.00 54.58 54.09 1uwo n ASN 38 Cb 1.33 -0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 40.06 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1uwo h GLU 39 N -0.19 -0.38 -0.35 1.20 4.39 -0.14 -3.34 114.58 115.76 1uwo h GLU 39 Ca -0.60 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.16 1uwo h GLU 39 Cb 1.85 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 30.54 1uwo h GLU 39 CO -0.15 -0.25 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.13 1uwo h LEU 40 N -0.83 -0.89 1.24 1.33 4.07 -0.54 -3.43 115.31 116.27 1uwo h LEU 40 Ca -0.04 0.13 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 1uwo h LEU 40 Cb 0.30 0.38 -0.08 0.00 1.08 0.00 0.00 40.66 42.34 1uwo h LEU 40 CO 0.07 -0.12 -0.23 -0.24 -1.08 0.00 0.00 178.44 176.83 1uwo n SER 41 N -3.92 -3.20 0.00 -0.43 2.88 -1.25 -4.44 113.62 103.26 1uwo n SER 41 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1uwo n SER 41 Cb 0.12 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1uwo n HIS 42 N -2.02 -0.98 -0.22 0.66 -0.00 -1.26 -4.68 115.22 106.72 1uwo n HIS 42 Ca -0.12 0.00 0.31 0.00 -0.00 0.00 0.00 57.72 57.91 1uwo n HIS 42 Cb 0.42 0.30 0.60 0.00 -0.00 0.00 0.00 29.99 31.31 1uwo n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1uwo h PHE 43 N 0.00 0.00 -0.43 1.57 3.04 -1.97 -3.24 116.94 115.92 1uwo h PHE 43 Ca 0.00 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 1uwo h PHE 43 Cb 0.00 0.00 -0.15 0.00 2.56 0.00 0.00 35.95 38.36 1uwo h PHE 43 CO 0.00 0.00 -0.31 1.47 -2.02 0.00 0.00 178.31 177.45 1uwo n LEU 44 N -3.55 -2.43 -4.39 0.59 -0.00 -1.26 -5.07 117.00 100.89 1uwo n LEU 44 Ca 0.23 -2.21 -0.58 0.00 -0.00 0.00 0.00 56.01 53.45 1uwo n LEU 44 Cb 1.35 0.68 -0.10 0.00 -0.00 0.00 0.00 43.42 45.35 1uwo n LEU 44 CO 0.29 1.66 1.67 -1.84 -0.00 0.00 0.00 177.39 179.18 1uwo n GLU 45 N 2.40 0.42 0.00 1.47 0.00 -1.23 -4.44 120.64 119.26 1uwo n GLU 45 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1uwo n GLU 45 Cb 0.62 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1uwo n GLU 46 N 7.28 0.00 -3.49 3.44 1.02 -1.23 -4.41 120.64 123.25 1uwo n GLU 46 Ca 0.47 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 1uwo n GLU 46 Cb 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.38 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 -0.79 0.92 -0.32 -3.67 2.08 -1.26 -4.84 119.36 111.49 1uwo n ILE 47 Ca 0.00 -4.57 0.18 0.00 0.56 0.00 0.00 62.75 58.91 1uwo n ILE 47 Cb 0.00 -2.02 0.35 0.00 -0.75 0.00 0.00 39.64 37.22 1uwo n ILE 47 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1uwo h LYS 48 N 4.69 0.11 -5.71 0.38 2.10 -1.92 -3.39 116.57 112.83 1uwo h LYS 48 Ca 0.17 -0.01 -0.47 0.00 -2.00 0.00 0.00 60.65 58.34 1uwo h LYS 48 Cb 0.77 -0.02 -0.19 0.00 -0.90 0.00 0.00 32.23 31.88 1uwo h LYS 48 CO 0.65 0.07 -0.78 -2.00 -2.00 0.00 0.00 179.45 175.39 1uwo s GLU 49 N -5.87 1.08 -0.92 0.07 -6.30 -1.26 -5.03 118.70 100.47 1uwo s GLU 49 Ca -0.12 -1.23 -0.06 0.00 -2.50 0.00 0.00 54.97 51.06 1uwo s GLU 49 Cb 0.29 -1.11 -0.02 0.00 0.00 0.00 0.00 34.13 33.28 1uwo s GLU 49 CO 0.78 0.23 2.88 0.00 0.02 0.00 0.00 175.26 179.17 1uwo n GLN 50 N 0.69 3.33 -0.06 4.30 10.64 -1.26 -4.43 117.38 130.59 1uwo n GLN 50 Ca -0.17 -2.38 -0.22 0.00 -1.83 0.00 0.00 57.00 52.40 1uwo n GLN 50 Cb 0.56 -2.43 -0.13 0.00 -0.86 0.00 0.00 30.24 27.39 1uwo n GLN 50 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1uwo n GLU 51 N 2.13 0.65 -0.05 2.61 1.02 -1.26 -3.54 120.64 122.20 1uwo n GLU 51 Ca 0.59 0.43 -0.01 0.00 -0.02 0.00 0.00 57.16 58.15 1uwo n GLU 51 Cb 0.45 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1uwo n VAL 52 N -4.01 0.86 0.13 2.62 0.31 -1.26 -3.08 118.33 113.90 1uwo n VAL 52 Ca -0.33 -0.71 0.03 0.00 -0.01 0.00 0.00 64.34 63.32 1uwo n VAL 52 Cb 0.85 -0.33 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.73 0.09 2.52 2.07 -1.83 -0.62 116.25 119.22 1uwo h VAL 53 Ca -0.30 -2.08 -0.34 0.00 0.82 0.00 0.00 66.70 64.80 1uwo h VAL 53 Cb 1.70 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 33.76 1uwo h VAL 53 CO 0.02 0.42 -1.91 -0.67 0.02 0.00 0.00 177.57 175.45 1uwo n ASP 54 N -3.15 1.76 -0.02 0.57 2.03 -1.23 -3.08 116.55 113.43 1uwo n ASP 54 Ca 0.00 0.27 -0.16 0.00 0.52 0.00 0.00 54.79 55.42 1uwo n ASP 54 Cb 0.74 -0.63 -0.13 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.05 0.16 -0.59 -0.67 3.64 -1.63 -3.31 116.57 114.22 1uwo h LYS 55 Ca -0.38 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1uwo h LYS 55 Cb 2.03 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.89 1uwo h LYS 55 CO 0.09 1.04 0.37 -0.24 -2.27 0.00 0.00 179.45 178.44 1uwo h VAL 56 N -0.61 1.10 -0.92 2.00 3.04 -1.30 -2.42 116.25 117.14 1uwo h VAL 56 Ca -0.05 -0.25 0.21 0.00 -1.01 0.00 0.00 66.70 65.59 1uwo h VAL 56 Cb 1.19 0.29 -0.17 0.00 -2.01 0.00 0.00 31.29 30.59 1uwo h VAL 56 CO 0.07 0.14 -0.13 -0.03 -1.01 0.00 0.00 177.57 176.60 1uwo h MET 57 N 0.74 0.01 0.41 4.17 1.85 -1.62 0.65 114.93 121.15 1uwo h MET 57 Ca 0.23 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.31 1uwo h MET 57 Cb -0.02 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 1uwo h MET 57 CO -0.08 0.01 -0.33 1.49 -0.40 0.00 0.00 176.91 177.59 1uwo h GLU 58 N 0.02 -0.72 0.00 0.39 4.81 -1.52 0.14 114.58 117.69 1uwo h GLU 58 Ca 0.48 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1uwo h GLU 58 Cb 0.83 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1uwo h GLU 58 CO -0.91 -0.48 0.00 2.41 -0.73 0.00 0.00 179.01 179.30 1uwo n THR 59 N -5.45 1.17 0.30 0.32 -1.04 0.31 -1.50 114.28 108.38 1uwo n THR 59 Ca -0.10 0.29 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 1uwo n THR 59 Cb 0.35 -1.13 -0.07 0.00 -1.82 0.00 0.00 70.33 67.66 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 -1.43 0.46 -4.61 -4.42 4.77 0.20 -4.88 117.00 107.09 1uwo n LEU 60 Ca 0.03 0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.58 1uwo n LEU 60 Cb 0.10 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1uwo n LEU 60 CO 0.08 0.00 1.76 0.47 -1.33 0.00 0.00 177.39 178.38 1uwo n ASP 61 N -2.17 3.45 -0.30 -1.43 8.00 0.27 -4.47 116.55 119.89 1uwo n ASP 61 Ca -0.01 0.45 0.08 0.00 0.71 0.00 0.00 54.79 56.02 1uwo n ASP 61 Cb 0.50 -1.52 0.19 0.00 -0.02 0.00 0.00 41.12 40.27 1uwo n ASP 61 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1uwo h ASN 62 N 13.37 -0.49 0.00 -2.24 -1.24 -1.89 -3.34 115.58 119.75 1uwo h ASN 62 Ca -0.43 0.24 -0.12 0.00 0.71 0.00 0.00 56.30 56.69 1uwo h ASN 62 Cb 1.25 0.44 -0.11 0.00 0.73 0.00 0.00 38.32 40.62 1uwo h ASN 62 CO 0.96 -0.26 -0.19 -0.67 -1.29 0.00 0.00 177.43 175.98 1uwo n ASP 63 N -5.44 -1.09 -1.79 1.15 -0.08 -1.26 -5.03 116.55 103.01 1uwo n ASP 63 Ca 0.17 -1.89 -0.00 0.00 -1.51 0.00 0.00 54.79 51.55 1uwo n ASP 63 Cb 0.56 0.53 0.00 0.00 2.34 0.00 0.00 41.12 44.56 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 -1.06 -2.66 0.00 0.27 0.00 -1.26 -4.98 105.19 95.51 1uwo n GLY 64 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.03 0.00 0.00 1.61 8.00 -1.26 -4.98 116.55 119.94 1uwo n ASP 65 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1uwo n ASP 65 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.00 2.69 3.57 0.44 0.00 -1.26 -5.04 105.19 105.58 1uwo n GLY 66 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1uwo n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwo s GLU 67 N -0.49 2.97 0.25 1.61 2.02 -1.25 -3.96 118.70 119.85 1uwo s GLU 67 Ca 0.00 0.67 -0.30 0.00 0.02 0.00 0.00 54.97 55.37 1uwo s GLU 67 Cb 0.00 -4.27 -0.09 0.00 0.10 0.00 0.00 34.13 29.87 1uwo s GLU 67 CO 0.00 -2.32 1.26 0.00 0.02 0.00 0.00 175.26 174.21 1uwo s ASP 69 N -0.13 4.17 0.16 0.00 1.01 -1.26 -3.23 116.67 117.38 1uwo s ASP 69 Ca 0.52 -1.24 -0.18 0.00 0.71 0.00 0.00 52.55 52.36 1uwo s ASP 69 Cb -0.36 -0.38 0.08 0.00 1.01 0.00 0.00 42.92 43.27 1uwo s ASP 69 CO 0.43 -0.53 1.66 -0.26 0.21 0.00 0.00 175.17 176.68 1uwo h PHE 70 N 1.56 -0.27 -1.07 4.23 0.04 -1.96 0.17 116.94 119.66 1uwo h PHE 70 Ca -0.43 0.04 0.28 0.00 2.80 0.00 0.00 57.97 60.66 1uwo h PHE 70 Cb 1.25 0.17 -0.09 0.00 2.20 0.00 0.00 35.95 39.48 1uwo h PHE 70 CO 0.72 -0.19 0.69 -0.56 -0.60 0.00 0.00 178.31 178.38 1uwo h GLN 71 N -0.04 0.32 0.03 1.51 3.07 -1.98 0.62 115.11 118.65 1uwo h GLN 71 Ca 0.18 -0.02 -0.22 0.00 0.09 0.00 0.00 58.65 58.69 1uwo h GLN 71 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 1uwo h GLN 71 CO -0.40 0.21 -1.00 1.05 0.09 0.00 0.00 178.83 178.78 1uwo h GLU 72 N 0.33 0.11 -0.22 0.06 -0.00 -0.99 -2.83 114.58 111.04 1uwo h GLU 72 Ca 0.60 -0.16 0.05 0.00 -0.00 0.00 0.00 59.36 59.86 1uwo h GLU 72 Cb 1.64 0.06 -0.06 0.00 -0.00 0.00 0.00 28.75 30.39 1uwo h GLU 72 CO -0.28 1.02 -0.15 0.74 -0.00 0.00 0.00 179.01 180.34 1uwo h PHE 73 N 0.04 -0.36 -0.47 2.06 -1.00 0.17 0.46 116.94 117.85 1uwo h PHE 73 Ca -0.05 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 1uwo h PHE 73 Cb 1.71 0.20 -0.02 0.00 3.61 0.00 0.00 35.95 41.45 1uwo h PHE 73 CO 0.02 -0.22 -0.14 0.00 -1.61 0.00 0.00 178.31 176.36 1uwo h MET 74 N -0.14 0.88 0.00 1.51 -0.00 -1.54 -1.72 114.93 113.92 1uwo h MET 74 Ca 0.13 -0.32 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1uwo h MET 74 Cb 0.33 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1uwo h MET 74 CO -0.30 0.96 0.00 0.00 -0.00 0.00 0.00 176.91 177.57 1uwo h ALA 75 N 1.05 1.00 -0.69 -3.00 0.00 -0.99 -0.10 119.26 116.53 1uwo h ALA 75 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uwo h ALA 75 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1uwo h ALA 75 CO 0.05 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.64 1uwo n PHE 76 N -2.41 0.00 -0.12 0.00 -0.00 0.15 -2.28 117.46 112.80 1uwo n PHE 76 Ca 0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.63 1uwo n PHE 76 Cb 0.21 -0.33 0.56 0.00 -0.00 0.00 0.00 39.48 39.92 1uwo n PHE 76 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1uwo h VAL 77 N 0.00 0.77 -0.53 -2.13 2.07 -1.55 0.59 116.25 115.46 1uwo h VAL 77 Ca 0.00 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1uwo h VAL 77 Cb 0.00 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1uwo h VAL 77 CO 0.00 0.05 0.07 0.00 0.02 0.00 0.00 177.57 177.71 1uwo h ALA 78 N 1.67 0.71 -0.31 1.67 0.00 -1.15 -1.66 119.26 120.18 1uwo h ALA 78 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uwo h ALA 78 Cb 0.93 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1uwo h ALA 78 CO -0.08 0.47 0.00 -1.33 0.00 0.00 0.00 179.25 178.30 1uwo n MET 79 N -4.36 0.00 0.08 0.00 2.81 0.09 -1.55 117.12 114.20 1uwo n MET 79 Ca 0.02 0.45 0.17 0.00 -1.81 0.00 0.00 57.70 56.53 1uwo n MET 79 Cb 0.27 -1.01 0.46 0.00 -0.71 0.00 0.00 33.22 32.23 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1uwo h VAL 80 N 0.00 0.08 0.00 2.03 -1.51 -1.42 2.56 116.25 117.99 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 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 1uwo h VAL 80 CO 0.00 0.00 -0.01 0.74 -1.23 0.00 0.00 177.57 177.07 1uwo h THR 81 N 0.00 0.00 0.00 7.19 2.02 -1.35 -3.29 112.91 117.48 1uwo h THR 81 Ca 0.22 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1uwo h THR 81 Cb 1.92 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1uwo h THR 81 CO -0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.79 1uwo h THR 82 N -0.37 1.70 -0.92 3.16 1.03 -0.18 -3.30 112.91 114.03 1uwo h THR 82 Ca 0.00 -2.31 0.36 0.00 -0.01 0.00 0.00 66.41 64.45 1uwo h THR 82 Cb 0.01 3.24 -0.17 0.00 -1.07 0.00 0.00 68.15 70.17 1uwo h THR 82 CO 0.00 0.58 0.39 0.00 -0.01 0.00 0.00 175.52 176.47 1uwo n ALA 83 N -2.67 0.84 0.00 0.00 0.00 0.85 0.10 120.51 119.63 1uwo n ALA 83 Ca -0.11 0.95 -0.12 0.00 0.00 0.00 0.00 53.44 54.15 1uwo n ALA 83 Cb 0.49 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.12 0.00 0.00 0.00 2.76 0.62 -0.58 115.15 117.83 1uwo h HIS 85 Ca 0.01 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1uwo h HIS 85 Cb 0.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1uwo h HIS 85 CO -0.01 0.01 -1.14 0.39 -1.30 0.00 0.00 177.93 175.88 1uwo n GLU 86 N -3.31 0.61 0.06 5.26 1.02 -0.33 -3.86 120.64 120.08 1uwo n GLU 86 Ca -0.03 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1uwo n GLU 86 Cb 0.11 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1uwo n GLU 86 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1uwo h PHE 87 N 0.00 -0.40 0.05 -0.32 3.04 0.84 -3.27 116.94 116.88 1uwo h PHE 87 Ca -0.06 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1uwo h PHE 87 Cb 1.20 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 1uwo h PHE 87 CO 0.00 -0.18 -0.03 0.74 -2.02 0.00 0.00 178.31 176.82 1uwo h PHE 88 N -0.25 -0.09 -4.57 0.41 0.04 -1.76 -3.43 116.94 107.30 1uwo h PHE 88 Ca -0.01 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1uwo h PHE 88 Cb 0.23 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1uwo h PHE 88 CO -0.21 -0.05 -0.05 -0.85 -0.60 0.00 0.00 178.31 176.55 1uwo n GLU 89 N -2.34 -2.72 -2.28 1.51 0.28 -1.24 -4.85 120.64 109.00 1uwo n GLU 89 Ca -0.01 0.10 -0.33 0.00 -0.16 0.00 0.00 57.16 56.76 1uwo n GLU 89 Cb 0.03 -4.57 -0.01 0.00 1.43 0.00 0.00 31.44 28.32 1uwo n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1uwo s HIS 90 N -2.02 3.13 0.00 -1.84 3.76 -1.26 -5.14 115.29 111.92 1uwo s HIS 90 Ca 0.00 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1uwo s HIS 90 Cb 0.00 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.74 1uwo s HIS 90 CO 0.00 -0.81 0.00 0.39 -0.85 0.00 0.00 174.74 173.47