#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 0.04 1.43 0.00 -1.26 -1.16 120.64 119.69 1uwo n GLU 2 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 57.16 57.53 1uwo n GLU 2 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 31.44 30.02 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 3 N 0.00 0.51 0.40 -1.84 -0.00 -2.04 -1.68 115.31 110.66 1uwo h LEU 3 Ca 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1uwo h LEU 3 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 1uwo h LEU 3 CO 0.00 1.06 -0.35 -0.08 -0.00 0.00 0.00 178.44 179.07 1uwo h GLU 4 N 0.30 -0.71 -0.25 1.13 4.57 -1.99 0.91 114.58 118.54 1uwo h GLU 4 Ca -0.03 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1uwo h GLU 4 Cb 1.29 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1uwo h GLU 4 CO 0.12 -0.47 0.14 -0.22 -1.18 0.00 0.00 179.01 177.40 1uwo h LYS 5 N -0.74 0.35 0.00 1.92 3.64 -1.23 -0.44 116.57 120.07 1uwo h LYS 5 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1uwo h LYS 5 Cb 0.62 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1uwo h LYS 5 CO -0.01 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1uwo n ALA 6 N -2.21 1.30 0.05 5.00 0.00 -0.63 -2.06 120.51 121.97 1uwo n ALA 6 Ca -0.03 0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1uwo n ALA 6 Cb 0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 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 0.35 0.00 0.00 1.85 0.26 -2.52 114.93 114.87 1uwo h MET 7 Ca 0.00 -0.60 -0.11 0.00 -0.61 0.00 0.00 59.70 58.38 1uwo h MET 7 Cb 0.13 0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 1uwo h MET 7 CO 0.00 1.29 -0.53 0.28 -0.40 0.00 0.00 176.91 177.55 1uwo h VAL 8 N -0.03 1.36 0.03 -5.77 2.07 -0.98 -1.61 116.25 111.32 1uwo h VAL 8 Ca -0.33 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1uwo h VAL 8 Cb 1.99 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1uwo h VAL 8 CO 0.14 0.52 -0.01 0.00 0.02 0.00 0.00 177.57 178.24 1uwo h ALA 9 N 1.47 -0.03 -0.51 1.67 0.00 -1.57 -2.58 119.26 117.70 1uwo h ALA 9 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1uwo h ALA 9 Cb 0.95 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1uwo h ALA 9 CO 0.07 -0.05 0.22 1.25 0.00 0.00 0.00 179.25 180.74 1uwo h LEU 10 N -0.98 0.26 -0.41 0.00 5.85 -1.50 -1.50 115.31 117.02 1uwo h LEU 10 Ca -0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1uwo h LEU 10 Cb 0.53 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1uwo h LEU 10 CO 0.01 0.18 0.25 -0.29 -0.34 0.00 0.00 178.44 178.24 1uwo h ILE 11 N 0.42 1.06 -0.03 4.05 6.09 -1.41 0.48 117.51 128.17 1uwo h ILE 11 Ca 0.24 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 63.57 1uwo h ILE 11 Cb 0.22 0.51 -0.00 0.00 0.47 0.00 0.00 36.82 38.02 1uwo h ILE 11 CO -0.21 0.09 0.06 -0.78 -3.07 0.00 0.00 178.15 174.23 1uwo h ASP 12 N 0.50 0.00 1.08 2.19 3.58 -0.91 0.75 116.42 123.62 1uwo h ASP 12 Ca 0.16 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.44 1uwo h ASP 12 Cb -0.01 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1uwo h ASP 12 CO -0.07 0.00 -0.96 0.58 -2.88 0.00 0.00 179.24 175.92 1uwo h VAL 13 N 0.00 1.09 -0.13 2.25 2.07 0.03 -1.60 116.25 119.96 1uwo h VAL 13 Ca 0.01 -2.65 -0.05 0.00 0.82 0.00 0.00 66.70 64.83 1uwo h VAL 13 Cb 0.13 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1uwo h VAL 13 CO -0.00 0.62 -0.13 0.15 0.02 0.00 0.00 177.57 178.23 1uwo h PHE 14 N 0.00 0.38 0.07 1.57 3.57 0.03 -0.74 116.94 121.82 1uwo h PHE 14 Ca -0.06 -0.12 -0.25 0.00 3.53 0.00 0.00 57.97 61.07 1uwo h PHE 14 Cb 1.62 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1uwo h PHE 14 CO 0.00 0.73 -1.09 0.45 -2.23 0.00 0.00 178.31 176.16 1uwo h HIS 15 N -0.07 0.49 0.41 0.41 3.86 -1.59 -1.79 115.15 116.87 1uwo h HIS 15 Ca 0.02 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1uwo h HIS 15 Cb 0.66 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1uwo h HIS 15 CO 0.09 1.19 -0.20 0.37 0.86 0.00 0.00 177.93 180.24 1uwo h GLN 16 N 0.12 -0.53 0.14 2.45 4.15 -1.31 0.09 115.11 120.22 1uwo h GLN 16 Ca -0.10 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1uwo h GLN 16 Cb 1.78 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.59 1uwo h GLN 16 CO 0.18 -0.36 -0.10 1.88 -1.93 0.00 0.00 178.83 178.50 1uwo h TYR 17 N -0.82 -0.27 0.00 3.99 -1.99 -1.28 -0.24 116.97 116.37 1uwo h TYR 17 Ca -0.06 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1uwo h TYR 17 Cb 0.43 0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1uwo h TYR 17 CO 0.05 -0.16 0.00 0.43 -0.00 0.00 0.00 178.16 178.47 1uwo n SER 18 N -5.22 0.33 -0.23 3.88 7.64 -0.67 -1.18 113.62 118.17 1uwo n SER 18 Ca -0.08 0.64 0.02 0.00 1.01 0.00 0.00 58.87 60.45 1uwo n SER 18 Cb 0.14 -0.69 0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.05 -0.36 0.14 0.23 0.00 0.02 -2.98 105.19 101.20 1uwo n GLY 19 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 0.61 0.37 -5.44 1.61 3.08 -1.22 -3.41 114.38 109.99 1uwo h ARG 20 Ca 0.00 -0.64 -0.69 0.00 0.07 0.00 0.00 59.98 58.72 1uwo h ARG 20 Cb 0.18 0.24 -0.12 0.00 0.08 0.00 0.00 29.97 30.34 1uwo h ARG 20 CO 0.00 1.29 1.71 -2.00 -1.07 0.00 0.00 179.97 179.91 1uwo s GLU 21 N -2.58 3.94 5.56 0.04 2.12 -1.24 -4.88 118.70 121.67 1uwo s GLU 21 Ca -0.15 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.10 1uwo s GLU 21 Cb 0.06 -5.30 0.00 0.00 0.26 0.00 0.00 34.13 29.14 1uwo s GLU 21 CO 0.85 -2.04 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 1uwo n GLY 22 N 5.14 0.53 0.00 -1.50 0.00 -1.26 -4.43 105.19 103.67 1uwo n GLY 22 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 5.95 0.00 0.00 1.61 9.92 -1.26 -4.86 116.55 127.91 1uwo n ASP 23 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1uwo n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1uwo n ASP 23 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1uwo n LYS 24 N 0.00 0.00 0.04 -1.24 2.85 -1.26 -4.14 118.16 114.41 1uwo n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uwo n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uwo n LYS 24 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1uwo n HIS 25 N -0.04 -2.05 -4.05 5.58 1.44 -1.16 -4.88 115.22 110.06 1uwo n HIS 25 Ca 0.00 0.28 -0.10 0.00 -2.01 0.00 0.00 57.72 55.89 1uwo n HIS 25 Cb 0.00 0.95 -0.06 0.00 0.12 0.00 0.00 29.99 30.99 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 -2.00 1.47 0.20 -1.40 1.02 -1.26 -4.88 119.74 112.89 1uwo s LYS 26 Ca 0.00 -1.36 -0.05 0.00 0.02 0.00 0.00 55.97 54.59 1uwo s LYS 26 Cb 0.00 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.68 1uwo s LYS 26 CO 0.00 -0.58 0.45 -0.51 -0.92 0.00 0.00 175.35 173.78 1uwo s LEU 27 N -3.06 4.19 -0.71 3.17 1.02 -1.24 -4.54 118.68 117.51 1uwo s LEU 27 Ca 0.27 0.62 0.04 0.00 0.02 0.00 0.00 54.13 55.09 1uwo s LEU 27 Cb 0.01 -3.39 0.27 0.00 0.02 0.00 0.00 46.19 43.10 1uwo s LEU 27 CO 0.10 -0.05 0.89 2.29 0.02 0.00 0.00 176.35 179.60 1uwo n LYS 28 N -0.36 2.93 0.00 1.70 2.85 -1.26 -1.68 118.16 122.33 1uwo n LYS 28 Ca -0.02 -4.67 0.00 0.00 -1.05 0.00 0.00 58.31 52.56 1uwo n LYS 28 Cb 0.53 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 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 0.83 0.00 -0.20 -1.58 0.00 -1.26 -3.66 118.16 112.30 1uwo n LYS 29 Ca 0.30 0.00 0.29 0.00 0.00 0.00 0.00 58.31 58.90 1uwo n LYS 29 Cb 0.39 0.00 0.73 0.00 0.00 0.00 0.00 35.03 36.15 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 0.00 -0.46 3.14 4.64 -1.97 0.45 113.55 119.34 1uwo h SER 30 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1uwo h SER 30 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1uwo h SER 30 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 1uwo h GLU 31 N 0.00 0.81 0.39 4.77 5.08 -1.91 -2.78 114.58 120.94 1uwo h GLU 31 Ca 0.44 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1uwo h GLU 31 Cb 1.78 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 1uwo h GLU 31 CO -0.00 0.87 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.32 1uwo h LEU 32 N 0.66 -1.35 -0.82 1.33 4.07 -0.42 -2.33 115.31 116.46 1uwo h LEU 32 Ca 0.13 0.12 0.14 0.00 0.08 0.00 0.00 57.88 58.35 1uwo h LEU 32 Cb 0.50 0.46 -0.15 0.00 1.08 0.00 0.00 40.66 42.55 1uwo h LEU 32 CO 0.02 -0.60 -0.33 0.50 -1.08 0.00 0.00 178.44 176.95 1uwo h LYS 33 N -0.90 -0.06 -0.70 1.13 3.64 -1.43 0.29 116.57 118.55 1uwo h LYS 33 Ca -0.05 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1uwo h LYS 33 Cb 0.80 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.50 1uwo h LYS 33 CO -0.11 -0.04 -0.23 0.93 -2.27 0.00 0.00 179.45 177.74 1uwo h GLU 34 N -0.06 -0.04 0.36 1.90 3.07 -1.14 0.38 114.58 119.05 1uwo h GLU 34 Ca 0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1uwo h GLU 34 Cb 0.59 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1uwo h GLU 34 CO -0.86 -0.03 -0.30 -0.07 -1.40 0.00 0.00 179.01 176.36 1uwo h LEU 35 N -0.04 -0.78 0.00 1.33 3.38 -0.10 0.06 115.31 119.16 1uwo h LEU 35 Ca 0.32 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1uwo h LEU 35 Cb 0.54 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1uwo h LEU 35 CO -0.74 -0.44 0.00 -0.38 0.09 0.00 0.00 178.44 176.97 1uwo n ILE 36 N -5.42 1.44 0.00 1.22 5.41 -0.40 -0.83 119.36 120.79 1uwo n ILE 36 Ca -0.10 0.36 0.00 0.00 1.00 0.00 0.00 62.75 64.01 1uwo n ILE 36 Cb 0.32 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1uwo n ILE 36 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1uwo n ASN 37 N -1.47 0.00 0.08 4.38 5.03 0.12 -1.02 115.26 122.38 1uwo n ASN 37 Ca 0.02 0.12 0.06 0.00 0.87 0.00 0.00 54.58 55.65 1uwo n ASN 37 Cb 0.07 -0.28 0.32 0.00 -1.02 0.00 0.00 39.78 38.88 1uwo n ASN 37 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uwo n ASN 38 N -1.74 0.30 -0.06 6.41 3.02 -0.33 -2.37 115.26 120.48 1uwo n ASN 38 Ca 0.00 0.62 -0.11 0.00 -0.03 0.00 0.00 54.58 55.07 1uwo n ASN 38 Cb 0.00 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 38.45 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1uwo n GLU 39 N -1.89 0.29 -2.97 3.52 -0.58 -0.01 -4.75 120.64 114.25 1uwo n GLU 39 Ca -0.00 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.47 1uwo n GLU 39 Cb 0.05 -1.11 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 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 -3.17 5.75 -0.20 -4.62 4.77 -0.19 -4.63 117.00 114.70 1uwo n LEU 40 Ca -0.23 -5.42 0.05 0.00 -0.03 0.00 0.00 56.01 50.38 1uwo n LEU 40 Cb 0.70 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1uwo n LEU 40 CO 0.07 2.02 0.18 -1.54 -1.33 0.00 0.00 177.39 176.79 1uwo n SER 41 N 0.48 1.12 0.00 -1.43 3.41 -1.00 -3.76 113.62 112.44 1uwo n SER 41 Ca 0.34 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1uwo n SER 41 Cb 0.34 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.40 0.00 0.09 7.33 -0.00 -1.26 -2.34 115.22 118.64 1uwo n HIS 42 Ca 0.04 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.96 1uwo n HIS 42 Cb 0.21 -0.06 0.75 0.00 -0.00 0.00 0.00 29.99 30.89 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 -2.10 1.57 3.04 -1.94 -3.22 116.94 114.28 1uwo h PHE 43 Ca 0.00 0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.43 1uwo h PHE 43 Cb 0.00 0.00 -0.35 0.00 2.56 0.00 0.00 35.95 38.16 1uwo h PHE 43 CO 0.00 0.00 -0.92 1.47 -2.02 0.00 0.00 178.31 176.84 1uwo n LEU 44 N -3.90 -0.84 -4.45 0.59 -0.00 -1.26 -5.07 117.00 102.06 1uwo n LEU 44 Ca 0.07 -4.21 -0.45 0.00 -0.00 0.00 0.00 56.01 51.42 1uwo n LEU 44 Cb 0.56 0.59 -0.12 0.00 -0.00 0.00 0.00 43.42 44.45 1uwo n LEU 44 CO 0.30 1.90 2.06 1.21 -0.00 0.00 0.00 177.39 182.86 1uwo n GLU 45 N 2.67 0.25 -0.28 1.47 2.13 -0.99 -4.11 120.64 121.78 1uwo n GLU 45 Ca 0.27 0.03 0.04 0.00 0.66 0.00 0.00 57.16 58.16 1uwo n GLU 45 Cb 0.50 -1.86 -0.01 0.00 0.27 0.00 0.00 31.44 30.34 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1uwo n GLU 46 N 8.35 -0.57 -3.32 5.31 1.02 -1.25 -4.48 120.64 125.70 1uwo n GLU 46 Ca 0.57 0.38 -0.39 0.00 -0.02 0.00 0.00 57.16 57.70 1uwo n GLU 46 Cb 0.11 -0.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.76 1uwo n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uwo s ILE 47 N -0.73 5.15 0.02 -3.67 -1.09 -1.26 -4.98 121.20 114.65 1uwo s ILE 47 Ca 0.00 0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 59.17 1uwo s ILE 47 Cb 0.00 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1uwo s ILE 47 CO 0.00 0.22 1.13 0.11 -1.23 0.00 0.00 174.94 175.17 1uwo h LYS 48 N 7.41 -0.19 -0.57 2.79 1.57 -1.93 -3.37 116.57 122.29 1uwo h LYS 48 Ca -0.35 0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.17 1uwo h LYS 48 Cb 1.16 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 1uwo h LYS 48 CO 0.73 -0.12 -1.13 -1.91 -0.57 0.00 0.00 179.45 176.44 1uwo n GLU 49 N -3.13 1.65 -2.61 3.15 2.13 -1.26 -4.97 120.64 115.60 1uwo n GLU 49 Ca -0.02 -3.47 -0.09 0.00 0.66 0.00 0.00 57.16 54.23 1uwo n GLU 49 Cb 0.10 -1.55 0.04 0.00 0.27 0.00 0.00 31.44 30.31 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 -0.49 -2.15 0.00 5.31 6.02 -1.26 -4.98 117.38 119.83 1uwo n GLN 50 Ca 0.08 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1uwo n GLN 50 Cb 0.81 -4.13 0.00 0.00 1.02 0.00 0.00 30.24 27.94 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 -2.59 0.00 0.08 -1.09 -0.58 -1.26 -3.79 120.64 111.42 1uwo n GLU 51 Ca -0.08 0.27 0.05 0.00 -0.42 0.00 0.00 57.16 56.98 1uwo n GLU 51 Cb 0.58 -0.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.66 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1uwo h VAL 52 N 0.00 0.35 -0.04 2.62 2.07 -1.96 -1.85 116.25 117.43 1uwo h VAL 52 Ca 0.00 -1.62 -0.15 0.00 0.82 0.00 0.00 66.70 65.75 1uwo h VAL 52 Cb 0.00 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1uwo h VAL 52 CO 0.00 0.20 -0.64 1.62 0.02 0.00 0.00 177.57 178.77 1uwo h VAL 53 N 0.00 1.41 0.09 2.57 3.04 -1.98 -0.66 116.25 120.72 1uwo h VAL 53 Ca -0.08 -2.09 -0.35 0.00 -1.01 0.00 0.00 66.70 63.18 1uwo h VAL 53 Cb 1.32 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 32.66 1uwo h VAL 53 CO 0.03 0.61 -1.92 -0.67 -1.01 0.00 0.00 177.57 174.61 1uwo n ASP 54 N -3.83 1.77 0.12 3.17 2.03 -1.25 -4.04 116.55 114.52 1uwo n ASP 54 Ca -0.02 0.26 -0.01 0.00 0.52 0.00 0.00 54.79 55.54 1uwo n ASP 54 Cb 0.64 -0.63 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.18 -0.13 -0.67 3.64 -1.36 -3.07 116.57 115.22 1uwo h LYS 55 Ca -0.39 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1uwo h LYS 55 Cb 2.03 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.83 1uwo h LYS 55 CO 0.09 0.55 -0.00 -0.39 -2.27 0.00 0.00 179.45 177.42 1uwo h VAL 56 N 0.16 0.91 -1.14 2.00 -1.51 -1.25 -0.53 116.25 114.88 1uwo h VAL 56 Ca 0.02 -0.01 0.33 0.00 -1.23 0.00 0.00 66.70 65.80 1uwo h VAL 56 Cb 0.76 0.87 -0.05 0.00 -2.13 0.00 0.00 31.29 30.74 1uwo h VAL 56 CO 0.06 0.01 1.08 0.24 -1.23 0.00 0.00 177.57 177.72 1uwo h MET 57 N 0.04 0.00 0.07 5.19 2.86 -1.67 1.19 114.93 122.59 1uwo h MET 57 Ca 0.06 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1uwo h MET 57 Cb 0.07 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.75 1uwo h MET 57 CO -0.10 0.00 -0.55 1.49 1.06 0.00 0.00 176.91 178.81 1uwo h GLU 58 N 0.00 0.26 0.00 1.72 4.81 -1.23 -3.19 114.58 116.95 1uwo h GLU 58 Ca 0.54 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1uwo h GLU 58 Cb 2.69 0.12 0.00 0.00 0.63 0.00 0.00 28.75 32.20 1uwo h GLU 58 CO -0.01 1.12 -0.26 1.15 -0.73 0.00 0.00 179.01 180.28 1uwo h THR 59 N -0.43 0.00 -1.64 0.32 2.02 0.11 -3.34 112.91 109.94 1uwo h THR 59 Ca -0.09 -0.78 0.48 0.00 0.77 0.00 0.00 66.41 66.79 1uwo h THR 59 Cb 1.36 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 1uwo h THR 59 CO 0.10 0.00 1.36 -0.07 0.37 0.00 0.00 175.52 177.28 1uwo h LEU 60 N -0.78 0.00 -8.66 2.58 4.07 0.72 -3.39 115.31 109.84 1uwo h LEU 60 Ca 0.00 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.26 1uwo h LEU 60 Cb 0.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1uwo h LEU 60 CO 0.00 0.00 1.25 -0.90 -1.08 0.00 0.00 178.44 177.71 1uwo n ASP 61 N -3.68 2.06 -0.06 -0.43 5.75 -1.20 -4.69 116.55 114.29 1uwo n ASP 61 Ca 0.37 0.66 -0.14 0.00 -0.01 0.00 0.00 54.79 55.67 1uwo n ASP 61 Cb 1.85 -1.18 -0.13 0.00 -1.03 0.00 0.00 41.12 40.63 1uwo n ASP 61 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1uwo h ASN 62 N 10.34 0.00 0.00 -1.12 -1.24 -1.84 -3.41 115.58 118.32 1uwo h ASN 62 Ca -0.31 -0.95 0.00 0.00 0.71 0.00 0.00 56.30 55.75 1uwo h ASN 62 Cb 1.33 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1uwo h ASN 62 CO 1.01 0.95 -0.30 -0.67 -1.29 0.00 0.00 177.43 177.13 1uwo n ASP 63 N -4.63 1.51 0.00 1.15 2.03 -1.26 -5.09 116.55 110.25 1uwo n ASP 63 Ca -0.10 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1uwo n ASP 63 Cb 0.46 0.79 0.00 0.00 -0.72 0.00 0.00 41.12 41.65 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwo n GLY 64 N 1.25 0.42 0.00 0.27 0.00 -1.26 -5.05 105.19 100.82 1uwo n GLY 64 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.94 116.55 111.88 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 0.00 2.80 3.57 0.27 0.00 -1.26 -5.04 105.19 105.53 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 -0.46 2.89 -0.01 1.61 2.02 -1.26 -4.06 118.70 119.42 1uwo s GLU 67 Ca 0.00 0.83 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 1uwo s GLU 67 Cb 0.00 -4.31 -0.05 0.00 0.10 0.00 0.00 34.13 29.87 1uwo s GLU 67 CO 0.00 -2.41 1.45 0.00 0.02 0.00 0.00 175.26 174.32 1uwo s ASP 69 N 2.13 5.28 0.14 0.00 2.15 -1.26 -3.60 116.67 121.50 1uwo s ASP 69 Ca 0.65 -0.10 -0.21 0.00 0.43 0.00 0.00 52.55 53.32 1uwo s ASP 69 Cb -0.32 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.52 1uwo s ASP 69 CO 0.27 -1.13 1.67 0.15 -0.17 0.00 0.00 175.17 175.95 1uwo h PHE 70 N 0.12 -0.37 -0.92 -5.34 3.04 -1.95 0.46 116.94 111.98 1uwo h PHE 70 Ca -0.41 0.03 0.22 0.00 3.98 0.00 0.00 57.97 61.78 1uwo h PHE 70 Cb 1.29 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.93 1uwo h PHE 70 CO 0.35 -0.22 0.61 1.96 -2.02 0.00 0.00 178.31 179.00 1uwo h GLN 71 N -0.15 0.36 0.00 1.11 4.20 -1.99 0.33 115.11 118.96 1uwo h GLN 71 Ca 0.11 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1uwo h GLN 71 Cb 0.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1uwo h GLN 71 CO -0.28 0.24 -0.74 1.05 -0.67 0.00 0.00 178.83 178.42 1uwo h GLU 72 N 0.37 0.00 -0.02 1.46 -0.00 -1.28 -2.71 114.58 112.40 1uwo h GLU 72 Ca 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.84 1uwo h GLU 72 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1uwo h GLU 72 CO -0.18 0.74 0.01 0.35 -0.00 0.00 0.00 179.01 179.93 1uwo h PHE 73 N 0.00 0.03 -0.67 2.06 3.57 0.15 1.07 116.94 123.15 1uwo h PHE 73 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1uwo h PHE 73 Cb 1.53 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.23 1uwo h PHE 73 CO 0.00 0.14 0.27 1.98 -2.23 0.00 0.00 178.31 178.48 1uwo h MET 74 N -0.09 1.01 0.00 1.11 4.05 -1.51 0.44 114.93 119.94 1uwo h MET 74 Ca 0.01 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1uwo h MET 74 Cb 0.12 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1uwo h MET 74 CO -0.00 0.83 0.00 0.00 0.23 0.00 0.00 176.91 177.97 1uwo n ALA 75 N -2.39 1.82 -0.01 0.39 0.00 -0.98 -0.76 120.51 118.59 1uwo n ALA 75 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1uwo n ALA 75 Cb 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1uwo n ALA 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uwo n PHE 76 N -1.83 0.00 0.22 0.00 7.35 0.37 -1.43 117.46 122.14 1uwo n PHE 76 Ca 0.04 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.81 1uwo n PHE 76 Cb 0.24 -0.50 0.49 0.00 0.35 0.00 0.00 39.48 40.07 1uwo n PHE 76 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1uwo h VAL 77 N 0.00 0.73 -0.19 -2.13 2.07 -1.56 -2.56 116.25 112.60 1uwo h VAL 77 Ca 0.00 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 1uwo h VAL 77 Cb 0.00 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1uwo h VAL 77 CO 0.00 0.25 -0.39 0.00 0.02 0.00 0.00 177.57 177.44 1uwo h ALA 78 N 1.75 0.96 -0.22 1.67 0.00 -1.04 -1.54 119.26 120.85 1uwo h ALA 78 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1uwo h ALA 78 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uwo h ALA 78 CO 0.03 0.62 0.00 -1.33 0.00 0.00 0.00 179.25 178.57 1uwo n MET 79 N -4.03 0.00 -0.03 0.00 2.00 -0.51 -1.46 117.12 113.08 1uwo n MET 79 Ca -0.01 0.46 0.22 0.00 0.00 0.00 0.00 57.70 58.37 1uwo n MET 79 Cb 0.49 -0.99 0.50 0.00 0.00 0.00 0.00 33.22 33.23 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1uwo h VAL 80 N 0.00 0.10 0.01 2.03 -1.51 -1.60 2.72 116.25 118.00 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 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 29.38 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 -1.32 -3.27 112.91 117.53 1uwo h THR 81 Ca 0.32 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 1uwo h THR 81 Cb 2.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1uwo h THR 81 CO -0.00 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.89 1uwo h THR 82 N -0.10 1.75 -0.92 3.16 1.03 -0.08 -1.53 112.91 116.22 1uwo h THR 82 Ca -0.00 -2.23 0.38 0.00 -0.01 0.00 0.00 66.41 64.55 1uwo h THR 82 Cb 0.01 3.26 -0.17 0.00 -1.07 0.00 0.00 68.15 70.18 1uwo h THR 82 CO 0.00 0.58 0.47 0.00 -0.01 0.00 0.00 175.52 176.56 1uwo n ALA 83 N -2.59 0.92 -0.01 0.00 0.00 0.90 0.13 120.51 119.86 1uwo n ALA 83 Ca -0.10 0.94 -0.11 0.00 0.00 0.00 0.00 53.44 54.18 1uwo n ALA 83 Cb 0.46 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo n HIS 85 N -3.13 0.22 0.28 0.00 -0.00 0.35 -1.78 115.22 111.16 1uwo n HIS 85 Ca -0.20 0.10 0.10 0.00 0.46 0.00 0.00 57.72 58.18 1uwo n HIS 85 Cb 1.05 -0.66 0.46 0.00 -0.12 0.00 0.00 29.99 30.72 1uwo n HIS 85 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1uwo n GLU 86 N -1.71 0.13 0.15 1.57 0.28 0.10 -1.37 120.64 119.79 1uwo n GLU 86 Ca 0.01 0.49 0.07 0.00 -0.16 0.00 0.00 57.16 57.57 1uwo n GLU 86 Cb 0.09 -1.82 0.06 0.00 1.43 0.00 0.00 31.44 31.20 1uwo n GLU 86 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1uwo h PHE 87 N 0.00 0.00 0.00 -1.84 3.57 -1.62 -3.22 116.94 113.84 1uwo h PHE 87 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1uwo h PHE 87 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1uwo h PHE 87 CO 0.00 0.27 -0.42 0.74 -2.23 0.00 0.00 178.31 176.66 1uwo h PHE 88 N 0.00 0.00 -1.89 0.41 -1.00 -1.42 -3.33 116.94 109.70 1uwo h PHE 88 Ca -0.02 0.00 -0.72 0.00 2.81 0.00 0.00 57.97 60.04 1uwo h PHE 88 Cb 1.22 0.00 -0.31 0.00 3.61 0.00 0.00 35.95 40.47 1uwo h PHE 88 CO 0.00 0.00 0.56 -0.85 -1.61 0.00 0.00 178.31 176.41 1uwo n GLU 89 N -2.66 3.09 -3.74 1.51 0.28 -1.19 -4.94 120.64 112.99 1uwo n GLU 89 Ca 0.03 -3.87 -0.14 0.00 -0.16 0.00 0.00 57.16 53.02 1uwo n GLU 89 Cb 0.50 -2.28 -0.15 0.00 1.43 0.00 0.00 31.44 30.95 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 -3.94 -0.16 0.00 -1.84 3.76 -1.25 -5.02 115.29 106.84 1uwo s HIS 90 Ca 0.50 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1uwo s HIS 90 Cb 0.41 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 34.00 1uwo s HIS 90 CO -0.34 -0.18 0.18 -1.91 -0.85 0.00 0.00 174.74 171.65