#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hzq n LEU 2 N 0.00 0.00 -4.08 -0.89 4.77 -1.26 -4.95 117.00 110.59 3hzq n LEU 2 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3hzq n LEU 2 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3hzq n LEU 2 CO 0.00 0.00 -0.12 -0.54 -1.33 0.00 0.00 177.39 175.40 3hzq s LYS 3 N 0.42 2.11 0.00 3.23 1.02 -1.26 -4.13 119.74 121.13 3hzq s LYS 3 Ca 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 53.83 3hzq s LYS 3 Cb 0.00 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 3hzq s LYS 3 CO 0.00 -1.09 0.00 0.39 -0.92 0.00 0.00 175.35 173.73 3hzq n GLU 4 N 4.01 0.15 -0.01 1.68 1.02 -1.25 -5.10 120.64 121.15 3hzq n GLU 4 Ca 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 3hzq n GLU 4 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 3hzq n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hzq n PHE 5 N 0.00 0.00 0.07 -0.32 7.35 -1.26 -4.73 117.46 118.57 3hzq n PHE 5 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 3hzq n PHE 5 Cb 0.00 -0.08 0.11 0.00 0.35 0.00 0.00 39.48 39.86 3hzq n PHE 5 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3hzq h LYS 6 N 0.00 0.31 -3.97 -4.13 3.64 -1.98 -3.41 116.57 107.03 3hzq h LYS 6 Ca -0.04 -0.21 -0.60 0.00 -1.27 0.00 0.00 60.65 58.53 3hzq h LYS 6 Cb 1.09 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.55 3hzq h LYS 6 CO 0.00 0.81 -0.76 -2.00 -2.27 0.00 0.00 179.45 175.24 3hzq s GLU 7 N -3.81 1.07 0.28 1.90 2.56 -1.26 -5.03 118.70 114.40 3hzq s GLU 7 Ca -0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 54.97 53.73 3hzq s GLU 7 Cb 0.12 -2.40 0.40 0.00 2.00 0.00 0.00 34.13 34.25 3hzq s GLU 7 CO 0.81 -0.86 1.84 0.74 -0.56 0.00 0.00 175.26 177.23 3hzq h PHE 8 N 7.97 0.90 0.00 5.30 -1.00 -1.80 -3.32 116.94 124.99 3hzq h PHE 8 Ca -0.13 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.59 3hzq h PHE 8 Cb 1.04 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3hzq h PHE 8 CO 0.40 0.72 0.00 0.00 -1.61 0.00 0.00 178.31 177.82 3hzq n ALA 9 N -2.45 0.00 -2.36 2.45 0.00 -1.26 -4.67 120.51 112.22 3hzq n ALA 9 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 3hzq n ALA 9 Cb 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 3hzq n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hzq s LEU 10 N 0.00 2.44 -1.10 0.00 1.43 -1.26 -4.99 118.68 115.21 3hzq s LEU 10 Ca 0.00 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 51.98 3hzq s LEU 10 Cb 0.00 -0.12 -0.10 0.00 0.03 0.00 0.00 46.19 46.00 3hzq s LEU 10 CO 0.00 -0.38 1.97 -0.54 0.23 0.00 0.00 176.35 177.63 3hzq s LYS 11 N -3.21 2.33 0.00 1.70 1.02 -1.26 -4.90 119.74 115.42 3hzq s LYS 11 Ca 0.06 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.21 3hzq s LYS 11 Cb 0.01 -5.16 0.00 0.00 -0.52 0.00 0.00 37.83 32.16 3hzq s LYS 11 CO -0.03 -4.04 0.00 0.41 -0.92 0.00 0.00 175.35 170.77 3hzq n GLY 12 N 6.11 -0.47 2.14 -3.33 0.00 -1.26 -4.23 105.19 104.15 3hzq n GLY 12 Ca 0.43 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 3hzq n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hzq n ASN 13 N 0.00 3.03 -0.00 1.61 4.05 -1.26 -0.52 115.26 122.17 3hzq n ASN 13 Ca 0.00 -2.03 0.08 0.00 0.45 0.00 0.00 54.58 53.08 3hzq n ASN 13 Cb 0.00 -0.80 -0.11 0.00 1.23 0.00 0.00 39.78 40.11 3hzq n ASN 13 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 3hzq n VAL 14 N 2.58 0.00 0.05 3.44 0.31 -1.26 -4.37 118.33 119.08 3hzq n VAL 14 Ca 0.21 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 3hzq n VAL 14 Cb 0.50 0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 34.12 3hzq n VAL 14 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hzq h LEU 15 N 0.00 -0.64 -0.61 7.52 5.85 -0.98 0.18 115.31 126.64 3hzq h LEU 15 Ca 0.00 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3hzq h LEU 15 Cb 0.52 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hzq h LEU 15 CO 0.00 -0.28 -0.19 -0.78 -0.34 0.00 0.00 178.44 176.85 3hzq h ASP 16 N -0.34 0.92 0.29 1.25 1.82 -1.84 -1.32 116.42 117.20 3hzq h ASP 16 Ca 0.06 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3hzq h ASP 16 Cb 0.42 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 3hzq h ASP 16 CO -0.20 1.08 -0.25 0.25 -1.61 0.00 0.00 179.24 178.51 3hzq h LEU 17 N 0.79 -0.67 -0.47 2.28 5.85 -1.65 0.55 115.31 122.00 3hzq h LEU 17 Ca 0.11 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3hzq h LEU 17 Cb 0.73 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 3hzq h LEU 17 CO 0.06 -0.37 0.17 0.00 -0.34 0.00 0.00 178.44 177.95 3hzq h ALA 18 N 0.07 0.57 -0.46 1.25 0.00 -0.60 0.88 119.26 120.98 3hzq h ALA 18 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hzq h ALA 18 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3hzq h ALA 18 CO -0.03 -0.22 0.31 0.82 0.00 0.00 0.00 179.25 180.13 3hzq h ILE 19 N 0.35 0.98 0.93 0.00 2.04 -0.49 0.25 117.51 121.57 3hzq h ILE 19 Ca 0.22 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3hzq h ILE 19 Cb 0.22 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3hzq h ILE 19 CO -0.22 0.07 -0.45 0.00 0.00 0.00 0.00 178.15 177.55 3hzq h ALA 20 N 1.75 -1.28 -0.68 1.87 0.00 0.25 0.28 119.26 121.45 3hzq h ALA 20 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hzq h ALA 20 Cb 0.28 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hzq h ALA 20 CO -0.05 -1.19 0.36 -0.24 0.00 0.00 0.00 179.25 178.14 3hzq h VAL 21 N -1.31 1.22 -0.37 0.00 3.04 -0.80 0.23 116.25 118.25 3hzq h VAL 21 Ca -0.13 -0.55 -0.14 0.00 -1.01 0.00 0.00 66.70 64.87 3hzq h VAL 21 Cb 0.96 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3hzq h VAL 21 CO 0.21 0.24 -0.32 0.58 -1.01 0.00 0.00 177.57 177.27 3hzq h VAL 22 N 0.94 1.28 0.00 1.51 2.07 -0.46 -2.80 116.25 118.79 3hzq h VAL 22 Ca 0.24 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3hzq h VAL 22 Cb 0.06 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hzq h VAL 22 CO -0.04 0.49 -1.55 0.23 0.02 0.00 0.00 177.57 176.73 3hzq n MET 23 N -4.07 0.63 -0.06 1.57 2.00 0.96 -3.17 117.12 114.99 3hzq n MET 23 Ca -0.01 0.02 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 3hzq n MET 23 Cb 0.50 -1.69 -0.06 0.00 0.00 0.00 0.00 33.22 31.97 3hzq n MET 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hzq h GLY 24 N 3.95 0.64 0.95 3.03 0.00 -0.61 0.60 103.07 111.63 3hzq h GLY 24 Ca -0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 3hzq h GLY 24 CO 0.01 0.65 0.13 0.00 0.00 0.00 0.00 176.54 177.33 3hzq h ALA 25 N 0.61 0.29 -0.81 3.60 0.00 -1.65 0.26 119.26 121.57 3hzq h ALA 25 Ca 0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hzq h ALA 25 Cb 0.93 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3hzq h ALA 25 CO 0.08 -0.18 0.48 0.00 0.00 0.00 0.00 179.25 179.63 3hzq h ALA 26 N 1.01 1.11 0.37 0.00 0.00 -1.49 -1.49 119.26 118.78 3hzq h ALA 26 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hzq h ALA 26 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hzq h ALA 26 CO -0.01 0.19 -0.18 0.35 0.00 0.00 0.00 179.25 179.59 3hzq h PHE 27 N 0.87 -0.47 -0.93 0.00 3.57 -0.28 -2.83 116.94 116.87 3hzq h PHE 27 Ca 0.36 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.05 3hzq h PHE 27 Cb 0.21 0.15 -0.18 0.00 2.79 0.00 0.00 35.95 38.93 3hzq h PHE 27 CO -0.05 -0.25 -0.18 -1.71 -2.23 0.00 0.00 178.31 173.89 3hzq n ASN 28 N -5.28 -0.29 0.18 0.41 5.15 0.87 -0.46 115.26 115.84 3hzq n ASN 28 Ca -0.11 1.59 -0.14 0.00 -0.60 0.00 0.00 54.58 55.32 3hzq n ASN 28 Cb 0.24 -0.50 -0.08 0.00 -0.53 0.00 0.00 39.78 38.91 3hzq n ASN 28 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3hzq h LYS 29 N 0.00 -0.39 -0.35 1.20 1.63 -1.18 -2.24 116.57 115.24 3hzq h LYS 29 Ca 0.47 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.37 3hzq h LYS 29 Cb 0.77 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.41 3hzq h LYS 29 CO -0.94 -0.20 -0.20 -0.84 -3.45 0.00 0.00 179.45 173.82 3hzq h ILE 30 N -0.49 0.43 -0.94 2.00 3.07 -0.61 0.28 117.51 121.25 3hzq h ILE 30 Ca -0.04 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.48 3hzq h ILE 30 Cb 0.37 0.43 -0.13 0.00 -0.27 0.00 0.00 36.82 37.22 3hzq h ILE 30 CO 0.07 0.00 -0.52 0.40 -1.05 0.00 0.00 178.15 177.05 3hzq h ILE 31 N -0.15 0.01 -0.38 0.16 1.08 -0.91 -0.73 117.51 116.59 3hzq h ILE 31 Ca 0.18 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.61 3hzq h ILE 31 Cb 0.42 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 3hzq h ILE 31 CO -0.44 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.09 3hzq h SER 33 N 0.47 -0.45 0.07 0.00 0.87 0.98 0.44 113.55 115.92 3hzq h SER 33 Ca 0.12 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3hzq h SER 33 Cb 0.34 0.44 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3hzq h SER 33 CO 0.00 -0.27 -0.05 0.25 -0.53 0.00 0.00 176.83 176.23 3hzq h LEU 34 N 0.06 -0.13 -0.63 2.23 5.85 -1.20 -1.04 115.31 120.45 3hzq h LEU 34 Ca 0.51 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 59.13 3hzq h LEU 34 Cb 0.97 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3hzq h LEU 34 CO -0.82 -0.08 -0.12 -0.37 -0.34 0.00 0.00 178.44 176.71 3hzq h VAL 35 N -0.12 1.27 0.03 1.05 -1.51 -0.62 0.33 116.25 116.67 3hzq h VAL 35 Ca -0.00 -1.26 -0.21 0.00 -1.23 0.00 0.00 66.70 64.00 3hzq h VAL 35 Cb 0.11 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 3hzq h VAL 35 CO -0.01 0.44 -0.97 -0.33 -1.23 0.00 0.00 177.57 175.47 3hzq h GLU 36 N 0.85 0.15 0.00 5.19 5.08 -0.22 0.23 114.58 125.85 3hzq h GLU 36 Ca 0.13 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3hzq h GLU 36 Cb 0.67 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3hzq h GLU 36 CO 0.05 1.00 -1.93 0.09 -1.00 0.00 0.00 179.01 177.22 3hzq n ASN 37 N -3.56 0.70 0.00 1.42 3.02 -0.40 -4.53 115.26 111.92 3hzq n ASN 37 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3hzq n ASN 37 Cb 0.88 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.72 3hzq n ASN 37 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hzq n ILE 38 N -2.25 0.00 -0.02 2.41 5.41 0.10 -4.71 119.36 120.30 3hzq n ILE 38 Ca -0.08 0.02 -0.00 0.00 1.00 0.00 0.00 62.75 63.68 3hzq n ILE 38 Cb 0.61 -0.73 -0.00 0.00 -0.71 0.00 0.00 39.64 38.80 3hzq n ILE 38 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hzq n ILE 39 N -1.35 -0.03 -0.19 1.39 2.08 -0.40 -1.03 119.36 119.82 3hzq n ILE 39 Ca 0.00 1.50 -0.02 0.00 0.56 0.00 0.00 62.75 64.79 3hzq n ILE 39 Cb 0.00 -1.99 0.05 0.00 -0.75 0.00 0.00 39.64 36.95 3hzq n ILE 39 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3hzq h MET 40 N 0.00 -0.04 0.13 0.38 2.86 -0.79 -0.72 114.93 116.76 3hzq h MET 40 Ca 0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hzq h MET 40 Cb 0.02 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3hzq h MET 40 CO -0.04 -0.03 -0.24 -1.35 1.06 0.00 0.00 176.91 176.32 3hzq h PRO 41 N -0.04 -0.43 -0.05 -0.22 0.11 -1.59 -1.94 132.00 127.83 3hzq h PRO 41 Ca 0.28 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.42 3hzq h PRO 41 Cb 0.47 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3hzq h PRO 41 CO -0.62 -0.29 -0.08 -0.07 -0.21 0.00 0.00 178.00 176.73 3hzq h LEU 42 N -0.45 -0.26 -0.55 2.35 3.38 0.27 1.11 115.31 121.16 3hzq h LEU 42 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hzq h LEU 42 Cb 0.46 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hzq h LEU 42 CO -0.12 -0.06 0.71 0.40 0.09 0.00 0.00 178.44 179.46 3hzq h ILE 43 N -0.06 0.00 0.02 1.22 2.04 -1.12 0.46 117.51 120.07 3hzq h ILE 43 Ca 0.01 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.59 3hzq h ILE 43 Cb 0.08 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3hzq h ILE 43 CO -0.08 0.00 -1.59 1.23 0.00 0.00 0.00 178.15 177.71 3hzq h GLY 44 N 0.00 0.04 -0.08 5.37 0.00 0.20 -3.01 103.07 105.59 3hzq h GLY 44 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3hzq h GLY 44 CO 0.00 0.09 -0.54 0.28 0.00 0.00 0.00 176.54 176.37 3hzq n LYS 45 N -3.15 0.62 0.00 4.80 5.02 0.15 -4.32 118.16 121.28 3hzq n LYS 45 Ca -0.15 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 3hzq n LYS 45 Cb 1.03 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 3hzq n LYS 45 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hzq n ILE 46 N -0.79 0.00 0.10 -0.18 -5.35 -0.81 -4.86 119.36 107.48 3hzq n ILE 46 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 3hzq n ILE 46 Cb 0.38 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.31 3hzq n ILE 46 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hzq n PHE 47 N 0.00 0.03 -1.32 4.28 3.01 -1.25 -4.79 117.46 117.42 3hzq n PHE 47 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3hzq n PHE 47 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 3hzq n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hzq n GLY 48 N -1.17 -0.50 3.79 1.37 0.00 -1.14 -5.07 105.19 102.47 3hzq n GLY 48 Ca -0.00 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3hzq n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hzq s SER 49 N -2.59 5.14 0.00 1.61 0.15 -1.26 -3.72 113.70 113.03 3hzq s SER 49 Ca 0.00 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.48 3hzq s SER 49 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3hzq s SER 49 CO 0.00 -1.61 0.68 0.55 1.20 0.00 0.00 173.24 174.06 3hzq n VAL 50 N -2.79 0.00 -4.31 4.45 3.14 -1.26 -4.80 118.33 112.76 3hzq n VAL 50 Ca 0.09 1.18 -0.16 0.00 -2.96 0.00 0.00 64.34 62.49 3hzq n VAL 50 Cb 0.53 -2.17 -0.10 0.00 -1.06 0.00 0.00 33.84 31.03 3hzq n VAL 50 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3hzq s ASP 51 N -2.02 1.32 -0.27 6.55 1.01 -1.26 -5.01 116.67 117.00 3hzq s ASP 51 Ca 0.00 -1.31 -0.01 0.00 0.71 0.00 0.00 52.55 51.94 3hzq s ASP 51 Cb 0.00 0.12 0.16 0.00 1.01 0.00 0.00 42.92 44.21 3hzq s ASP 51 CO 0.00 -0.66 0.46 0.72 0.21 0.00 0.00 175.17 175.90 3hzq s PHE 52 N -3.67 -1.14 0.00 4.23 -0.12 -1.26 -4.98 117.98 111.04 3hzq s PHE 52 Ca 0.33 0.99 0.00 0.00 -0.05 0.00 0.00 56.93 58.20 3hzq s PHE 52 Cb 0.07 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 3hzq s PHE 52 CO 0.11 -0.84 0.00 0.00 -0.05 0.00 0.00 175.22 174.44 3hzq n ALA 53 N 5.38 0.00 0.22 1.99 0.00 -1.26 -4.79 120.51 122.05 3hzq n ALA 53 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hzq n ALA 53 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3hzq n ALA 53 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hzq n LYS 54 N 0.00 0.46 0.09 0.00 2.85 -1.26 -3.09 118.16 117.21 3hzq n LYS 54 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3hzq n LYS 54 Cb 0.04 -1.27 -0.13 0.00 -0.65 0.00 0.00 35.03 33.01 3hzq n LYS 54 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3hzq h GLU 55 N 1.61 0.18 0.00 -1.58 5.08 -1.93 -3.50 114.58 114.45 3hzq h GLU 55 Ca 0.00 -0.31 -0.25 0.00 -1.00 0.00 0.00 59.36 57.80 3hzq h GLU 55 Cb 0.46 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hzq h GLU 55 CO 0.00 1.14 -0.08 0.91 -1.00 0.00 0.00 179.01 179.98 3hzq n TRP 56 N -3.47 -1.83 0.00 4.33 7.02 -1.26 -4.94 117.44 117.29 3hzq n TRP 56 Ca -0.06 -1.04 0.00 0.00 -1.02 0.00 0.00 57.50 55.37 3hzq n TRP 56 Cb 1.00 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.66 3hzq n TRP 56 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3hzq n SER 57 N -2.29 0.00 -2.73 -0.99 2.88 -1.25 -4.84 113.62 104.40 3hzq n SER 57 Ca 0.03 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.51 3hzq n SER 57 Cb 0.29 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.79 3hzq n SER 57 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3hzq n PHE 58 N -0.30 -2.80 -2.98 0.66 7.35 -1.26 -4.77 117.46 113.36 3hzq n PHE 58 Ca 0.00 -1.43 -0.15 0.00 -0.76 0.00 0.00 57.45 55.11 3hzq n PHE 58 Cb 0.00 1.44 -0.01 0.00 0.35 0.00 0.00 39.48 41.26 3hzq n PHE 58 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3hzq n TRP 59 N 1.93 -1.69 -3.75 -5.13 7.02 -1.26 -4.39 117.44 110.16 3hzq n TRP 59 Ca 0.10 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 3hzq n TRP 59 Cb 0.63 -2.22 0.00 0.00 -2.42 0.00 0.00 31.31 27.30 3hzq n TRP 59 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hzq n GLY 60 N -0.87 -0.70 2.59 6.99 0.00 -1.26 -5.10 105.19 106.84 3hzq n GLY 60 Ca -0.03 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 3hzq n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hzq s ILE 61 N -3.00 -0.19 0.00 -0.61 2.07 -1.26 -4.69 121.20 113.51 3hzq s ILE 61 Ca 0.00 -1.73 0.00 0.00 -1.41 0.00 0.00 60.65 57.51 3hzq s ILE 61 Cb 0.00 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3hzq s ILE 61 CO 0.00 -0.74 0.00 0.29 -1.91 0.00 0.00 174.94 172.58 3hzq n LYS 62 N 3.31 0.82 -3.83 3.50 4.76 -1.26 -4.85 118.16 120.62 3hzq n LYS 62 Ca 0.21 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 3hzq n LYS 62 Cb 0.49 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.59 3hzq n LYS 62 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3hzq s TYR 63 N -0.12 -0.03 -1.72 2.13 4.12 -1.26 -3.77 117.35 116.70 3hzq s TYR 63 Ca 0.00 -0.04 0.27 0.00 0.02 0.00 0.00 57.07 57.32 3hzq s TYR 63 Cb 0.00 0.01 0.84 0.00 -1.52 0.00 0.00 41.96 41.29 3hzq s TYR 63 CO 0.00 -0.36 1.62 0.41 0.02 0.00 0.00 175.55 177.24 3hzq n GLY 64 N 1.18 -0.69 0.38 0.71 0.00 -1.26 -3.25 105.19 102.27 3hzq n GLY 64 Ca -0.21 -0.38 0.20 0.00 0.00 0.00 0.00 46.02 45.63 3hzq n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hzq h LEU 65 N 1.06 0.00 0.11 0.99 6.46 -1.91 0.73 115.31 122.75 3hzq h LEU 65 Ca 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3hzq h LEU 65 Cb 0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 3hzq h LEU 65 CO 0.00 0.00 -0.24 0.15 -0.62 0.00 0.00 178.44 177.73 3hzq h PHE 66 N 0.00 -0.64 -0.15 1.25 3.57 -1.89 -2.54 116.94 116.54 3hzq h PHE 66 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3hzq h PHE 66 Cb 1.09 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 3hzq h PHE 66 CO 0.00 -0.34 -0.13 0.97 -2.23 0.00 0.00 178.31 176.58 3hzq h ILE 67 N -0.44 0.64 -0.90 1.41 6.09 0.20 -2.50 117.51 122.01 3hzq h ILE 67 Ca 0.03 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.70 3hzq h ILE 67 Cb 0.46 0.64 -0.17 0.00 0.47 0.00 0.00 36.82 38.23 3hzq h ILE 67 CO -0.14 0.00 -0.22 -0.61 -3.07 0.00 0.00 178.15 174.11 3hzq h GLN 68 N -0.14 0.00 0.00 2.19 4.15 -1.10 1.51 115.11 121.72 3hzq h GLN 68 Ca 0.10 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hzq h GLN 68 Cb 0.28 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3hzq h GLN 68 CO -0.23 0.00 -0.01 0.66 -1.93 0.00 0.00 178.83 177.32 3hzq h SER 69 N 0.00 0.00 0.02 -0.69 4.64 -1.21 -1.37 113.55 114.94 3hzq h SER 69 Ca 0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.72 3hzq h SER 69 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3hzq h SER 69 CO -0.92 0.01 -0.13 0.58 -0.87 0.00 0.00 176.83 175.49 3hzq h VAL 70 N 0.00 1.74 -0.91 0.95 2.07 0.20 -1.48 116.25 118.82 3hzq h VAL 70 Ca -0.00 -2.35 0.22 0.00 0.82 0.00 0.00 66.70 65.39 3hzq h VAL 70 Cb 0.01 3.34 -0.12 0.00 -1.52 0.00 0.00 31.29 32.99 3hzq h VAL 70 CO 0.00 0.62 0.43 0.40 0.02 0.00 0.00 177.57 179.04 3hzq h ILE 71 N -0.88 0.50 0.01 4.57 2.04 0.11 0.91 117.51 124.76 3hzq h ILE 71 Ca -0.02 -0.15 -0.21 0.00 1.00 0.00 0.00 64.86 65.47 3hzq h ILE 71 Cb 1.09 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3hzq h ILE 71 CO 0.02 0.08 -0.93 0.44 0.00 0.00 0.00 178.15 177.77 3hzq h ASP 72 N 0.45 0.34 -0.82 1.72 3.32 -1.34 -0.11 116.42 119.98 3hzq h ASP 72 Ca 0.57 -0.28 0.13 0.00 0.02 0.00 0.00 57.03 57.47 3hzq h ASP 72 Cb 1.06 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 3hzq h ASP 72 CO -0.51 1.10 0.53 0.15 -1.72 0.00 0.00 179.24 178.79 3hzq h PHE 73 N 0.14 0.70 0.32 4.55 3.57 0.17 2.51 116.94 128.89 3hzq h PHE 73 Ca -0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3hzq h PHE 73 Cb 1.57 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3hzq h PHE 73 CO 0.04 0.29 -0.15 0.82 -2.23 0.00 0.00 178.31 177.07 3hzq h ILE 74 N 0.62 0.48 0.00 1.41 2.04 0.48 -2.66 117.51 119.87 3hzq h ILE 74 Ca 0.40 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3hzq h ILE 74 Cb 0.67 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3hzq h ILE 74 CO -0.16 0.11 -0.11 0.16 0.00 0.00 0.00 178.15 178.15 3hzq h ILE 75 N -0.96 0.30 0.00 -0.67 3.07 0.43 -2.49 117.51 117.20 3hzq h ILE 75 Ca -0.04 -0.78 -0.10 0.00 1.55 0.00 0.00 64.86 65.49 3hzq h ILE 75 Cb 0.51 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 3hzq h ILE 75 CO 0.07 0.11 -0.48 -0.29 -1.05 0.00 0.00 178.15 176.51 3hzq h ILE 76 N 0.00 1.06 0.06 0.16 2.10 0.42 -2.48 117.51 118.83 3hzq h ILE 76 Ca -0.00 -1.82 -0.00 0.00 1.08 0.00 0.00 64.86 64.11 3hzq h ILE 76 Cb 0.59 2.07 0.00 0.00 -1.09 0.00 0.00 36.82 38.39 3hzq h ILE 76 CO 0.01 0.47 -0.03 0.00 -1.08 0.00 0.00 178.15 177.52 3hzq h ALA 77 N 1.52 -0.08 -0.71 0.18 0.00 -1.08 -3.31 119.26 115.78 3hzq h ALA 77 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3hzq h ALA 77 Cb 1.03 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3hzq h ALA 77 CO 0.06 -0.29 -0.49 0.35 0.00 0.00 0.00 179.25 178.89 3hzq h PHE 78 N -0.60 -1.47 -1.05 0.00 3.57 -1.21 0.51 116.94 116.69 3hzq h PHE 78 Ca -0.01 0.10 0.28 0.00 3.53 0.00 0.00 57.97 61.86 3hzq h PHE 78 Cb 0.52 0.74 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 3hzq h PHE 78 CO 0.09 -0.42 0.67 0.00 -2.23 0.00 0.00 178.31 176.42 3hzq h ALA 79 N 0.59 2.18 -0.05 2.41 0.00 -1.54 0.87 119.26 123.72 3hzq h ALA 79 Ca 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hzq h ALA 79 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hzq h ALA 79 CO -0.78 -0.62 0.03 1.25 0.00 0.00 0.00 179.25 179.13 3hzq h LEU 80 N 0.41 0.07 0.00 0.00 5.85 -0.99 0.19 115.31 120.83 3hzq h LEU 80 Ca 0.62 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3hzq h LEU 80 Cb 1.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3hzq h LEU 80 CO -0.35 0.16 0.00 0.33 -0.34 0.00 0.00 178.44 178.24 3hzq n PHE 81 N -5.00 0.00 -0.16 1.25 7.35 0.29 -0.16 117.46 121.04 3hzq n PHE 81 Ca -0.06 0.00 0.29 0.00 -0.76 0.00 0.00 57.45 56.91 3hzq n PHE 81 Cb 0.08 -0.23 0.71 0.00 0.35 0.00 0.00 39.48 40.39 3hzq n PHE 81 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3hzq h ILE 82 N 0.00 0.37 0.28 -2.13 2.10 -1.17 -1.24 117.51 115.72 3hzq h ILE 82 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3hzq h ILE 82 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 3hzq h ILE 82 CO 0.00 0.00 -0.13 0.15 -1.08 0.00 0.00 178.15 177.09 3hzq h PHE 83 N 0.00 -0.35 0.05 2.19 3.57 0.27 -2.59 116.94 120.09 3hzq h PHE 83 Ca 0.42 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 3hzq h PHE 83 Cb 1.89 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.70 3hzq h PHE 83 CO 0.00 0.01 -0.33 0.28 -2.23 0.00 0.00 178.31 176.04 3hzq h VAL 84 N -0.81 0.29 -0.56 1.41 2.07 0.69 -1.19 116.25 118.15 3hzq h VAL 84 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3hzq h VAL 84 Cb 0.51 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3hzq h VAL 84 CO 0.06 0.00 0.34 0.07 0.02 0.00 0.00 177.57 178.06 3hzq h LYS 85 N -0.52 0.76 0.00 1.57 2.10 -1.61 0.50 116.57 119.37 3hzq h LYS 85 Ca 0.05 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 3hzq h LYS 85 Cb 0.58 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3hzq h LYS 85 CO -0.24 0.55 -0.16 0.82 -2.00 0.00 0.00 179.45 178.41 3hzq h ILE 86 N 0.75 0.77 0.08 0.07 2.04 -1.27 -3.23 117.51 116.73 3hzq h ILE 86 Ca 0.20 -0.65 -0.37 0.00 1.00 0.00 0.00 64.86 65.04 3hzq h ILE 86 Cb -0.02 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3hzq h ILE 86 CO -0.04 0.16 -2.11 0.00 0.00 0.00 0.00 178.15 176.16 3hzq n ALA 87 N -2.35 1.09 -0.21 1.87 0.00 -0.47 -3.50 120.51 116.94 3hzq n ALA 87 Ca -0.02 -0.75 0.20 0.00 0.00 0.00 0.00 53.44 52.87 3hzq n ALA 87 Cb 0.26 -0.53 0.55 0.00 0.00 0.00 0.00 19.45 19.74 3hzq n ALA 87 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hzq h ASN 88 N 0.05 0.32 0.00 0.00 2.35 -0.04 -3.12 115.58 115.14 3hzq h ASN 88 Ca -0.46 0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.10 3hzq h ASN 88 Cb 2.01 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 40.31 3hzq h ASN 88 CO 0.04 0.13 -1.37 0.41 -1.65 0.00 0.00 177.43 174.99 3hzq n THR 89 N -4.46 1.51 -0.79 2.81 -1.04 -1.24 -4.43 114.28 106.63 3hzq n THR 89 Ca 0.18 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 62.05 3hzq n THR 89 Cb 0.71 -2.09 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 3hzq n THR 89 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hzq n LEU 90 N -4.43 4.37 -4.49 -4.42 4.77 -1.18 -4.80 117.00 106.82 3hzq n LEU 90 Ca -0.31 -2.67 -0.44 0.00 -0.03 0.00 0.00 56.01 52.56 3hzq n LEU 90 Cb 0.64 -1.16 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3hzq n LEU 90 CO 0.14 1.29 1.53 -0.04 -1.33 0.00 0.00 177.39 178.98 3hzq s MET 91 N 1.24 4.06 0.23 3.23 -1.94 -1.20 -4.90 119.30 120.03 3hzq s MET 91 Ca 0.51 -2.44 -0.20 0.00 -1.71 0.00 0.00 55.69 51.84 3hzq s MET 91 Cb 0.24 -5.17 -0.08 0.00 2.01 0.00 0.00 34.83 31.82 3hzq s MET 91 CO 0.00 -1.88 0.75 0.15 -0.01 0.00 0.00 175.02 174.03 3hzq s LYS 92 N 2.21 4.30 -0.23 2.03 1.02 -1.26 -5.07 119.74 122.73 3hzq s LYS 92 Ca 0.45 0.93 -0.00 0.00 0.02 0.00 0.00 55.97 57.37 3hzq s LYS 92 Cb -0.01 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3hzq s LYS 92 CO 0.02 0.38 -0.10 0.21 -0.92 0.00 0.00 175.35 174.94 3hzq s LYS 93 N -1.98 2.81 0.00 1.68 2.47 -1.26 -5.27 119.74 118.19 3hzq s LYS 93 Ca 0.44 -0.98 0.28 0.00 -1.56 0.00 0.00 55.97 54.14 3hzq s LYS 93 Cb -0.17 -2.88 0.98 0.00 -1.46 0.00 0.00 37.83 34.29 3hzq s LYS 93 CO 0.21 -0.37 1.70 -0.85 0.16 0.00 0.00 175.35 176.20