#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dz3 s ILE 3 N 0.00 3.99 -0.22 2.46 1.01 0.33 -4.86 121.20 123.91 1dz3 s ILE 3 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 1dz3 s ILE 3 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1dz3 s ILE 3 CO 0.00 -0.10 0.45 -0.54 0.00 0.00 0.00 174.94 174.75 1dz3 s LYS 4 N 3.65 4.13 -0.08 2.79 1.02 -1.26 -1.05 119.74 128.94 1dz3 s LYS 4 Ca 0.62 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.90 1dz3 s LYS 4 Cb -0.27 -3.59 -0.02 0.00 -0.52 0.00 0.00 37.83 33.44 1dz3 s LYS 4 CO 0.21 -0.17 -0.18 0.08 -0.92 0.00 0.00 175.35 174.37 1dz3 s VAL 5 N 1.72 2.69 0.00 3.17 1.01 0.17 -0.84 120.40 128.33 1dz3 s VAL 5 Ca 0.20 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1dz3 s VAL 5 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1dz3 s VAL 5 CO 0.09 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.58 1dz3 s ILE 7 N -0.84 2.60 -0.14 0.00 1.01 -0.59 -1.01 121.20 122.24 1dz3 s ILE 7 Ca 0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1dz3 s ILE 7 Cb -0.11 -2.02 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1dz3 s ILE 7 CO 0.03 0.56 0.08 0.00 0.00 0.00 0.00 174.94 175.61 1dz3 s ALA 8 N -0.08 0.39 -0.07 9.38 0.00 -0.27 -0.47 121.76 130.63 1dz3 s ALA 8 Ca -0.04 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 1dz3 s ALA 8 Cb -0.14 -0.94 0.08 0.00 0.00 0.00 0.00 23.12 22.12 1dz3 s ALA 8 CO 0.04 -1.01 0.72 0.34 0.00 0.00 0.00 175.76 175.85 1dz3 s ASP 9 N 2.14 -0.63 0.00 0.00 -1.08 -0.42 -1.39 116.67 115.29 1dz3 s ASP 9 Ca 0.03 0.71 0.21 0.00 -0.52 0.00 0.00 52.55 52.98 1dz3 s ASP 9 Cb -0.15 0.55 0.56 0.00 -1.46 0.00 0.00 42.92 42.42 1dz3 s ASP 9 CO -0.08 -0.56 1.46 -0.90 0.52 0.00 0.00 175.17 175.61 1dz3 n ASP 10 N 0.96 2.61 -4.48 -0.34 5.68 -1.25 -4.14 116.55 115.59 1dz3 n ASP 10 Ca -0.18 -1.88 -0.43 0.00 -0.50 0.00 0.00 54.79 51.80 1dz3 n ASP 10 Cb 0.57 -0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 1dz3 n ASP 10 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1dz3 s ASN 11 N -1.48 6.25 0.26 -1.12 3.84 -1.26 -4.93 114.94 116.50 1dz3 s ASN 11 Ca 0.35 -0.66 -0.04 0.00 0.21 0.00 0.00 52.86 52.72 1dz3 s ASN 11 Cb 0.20 -2.29 0.30 0.00 -0.55 0.00 0.00 41.25 38.92 1dz3 s ASN 11 CO 0.28 -0.79 1.84 0.03 -2.79 0.00 0.00 177.10 175.68 1dz3 h ARG 12 N 8.90 1.06 -0.58 0.43 3.08 -1.99 -0.98 114.38 124.30 1dz3 h ARG 12 Ca -0.26 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1dz3 h ARG 12 Cb 1.10 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1dz3 h ARG 12 CO 0.90 0.84 0.38 1.49 -1.07 0.00 0.00 179.97 182.51 1dz3 h GLU 13 N 1.04 0.77 -0.56 0.04 4.57 -1.98 -2.15 114.58 116.30 1dz3 h GLU 13 Ca 0.25 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1dz3 h GLU 13 Cb 0.16 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1dz3 h GLU 13 CO -0.03 0.52 0.06 1.25 -1.18 0.00 0.00 179.01 179.64 1dz3 h LEU 14 N 0.79 0.92 -0.97 1.64 5.85 -1.84 -2.13 115.31 119.58 1dz3 h LEU 14 Ca 0.21 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1dz3 h LEU 14 Cb -0.08 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 1dz3 h LEU 14 CO -0.05 0.97 0.59 0.58 -0.34 0.00 0.00 178.44 180.19 1dz3 h VAL 15 N 0.84 1.26 -0.47 1.05 2.07 -1.06 -0.05 116.25 119.90 1dz3 h VAL 15 Ca 0.17 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1dz3 h VAL 15 Cb 0.45 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1dz3 h VAL 15 CO 0.02 0.27 0.16 0.28 0.02 0.00 0.00 177.57 178.32 1dz3 h SER 16 N 1.32 0.67 -0.20 0.57 0.02 -1.26 -0.80 113.55 113.86 1dz3 h SER 16 Ca 0.35 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1dz3 h SER 16 Cb -0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1dz3 h SER 16 CO -0.07 0.68 0.06 -0.07 -1.14 0.00 0.00 176.83 176.29 1dz3 h LEU 17 N 0.61 0.30 -0.75 5.07 3.38 -1.09 -1.56 115.31 121.27 1dz3 h LEU 17 Ca 0.15 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1dz3 h LEU 17 Cb 0.24 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1dz3 h LEU 17 CO -0.01 0.44 0.44 -0.07 0.09 0.00 0.00 178.44 179.33 1dz3 h LEU 18 N 0.15 0.68 -0.40 1.67 3.38 -0.91 0.82 115.31 120.70 1dz3 h LEU 18 Ca 0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1dz3 h LEU 18 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1dz3 h LEU 18 CO -0.00 0.44 0.26 -0.78 0.09 0.00 0.00 178.44 178.45 1dz3 h ASP 19 N 0.81 0.45 -0.22 -0.43 3.58 -0.98 -0.32 116.42 119.32 1dz3 h ASP 19 Ca 0.33 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1dz3 h ASP 19 Cb 0.18 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1dz3 h ASP 19 CO -0.18 0.33 0.11 -0.08 -2.88 0.00 0.00 179.24 176.54 1dz3 h GLU 20 N 0.54 0.31 0.25 0.28 4.81 -0.86 -0.14 114.58 119.77 1dz3 h GLU 20 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1dz3 h GLU 20 Cb -0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1dz3 h GLU 20 CO -0.04 0.31 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.52 1dz3 h TYR 21 N 0.23 -0.31 -0.71 0.92 3.20 -0.64 -1.35 116.97 118.30 1dz3 h TYR 21 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1dz3 h TYR 21 Cb 0.10 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1dz3 h TYR 21 CO -0.03 -0.11 0.35 0.82 -1.64 0.00 0.00 178.16 177.55 1dz3 h ILE 22 N -0.45 1.22 -0.03 1.81 1.08 -1.08 -2.76 117.51 117.31 1dz3 h ILE 22 Ca -0.03 -0.62 -0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1dz3 h ILE 22 Cb 0.34 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1dz3 h ILE 22 CO 0.06 0.27 -0.38 0.28 -0.69 0.00 0.00 178.15 177.68 1dz3 h SER 23 N 1.00 0.06 0.65 1.72 0.02 -0.79 -1.79 113.55 114.43 1dz3 h SER 23 Ca 0.25 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1dz3 h SER 23 Cb 0.09 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1dz3 h SER 23 CO -0.03 0.44 0.00 -1.54 -1.14 0.00 0.00 176.83 174.56 1dz3 n SER 24 N -4.08 0.57 -4.72 3.07 3.41 -0.53 -4.70 113.62 106.64 1dz3 n SER 24 Ca -0.02 0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 58.83 1dz3 n SER 24 Cb 0.42 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 1dz3 n SER 24 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dz3 s GLN 25 N -3.29 4.56 0.52 4.33 -1.52 -0.67 -4.94 119.66 118.65 1dz3 s GLN 25 Ca 0.04 1.62 0.26 0.00 -1.95 0.00 0.00 55.36 55.33 1dz3 s GLN 25 Cb 0.09 -3.35 1.41 0.00 -0.22 0.00 0.00 33.01 30.94 1dz3 s GLN 25 CO 0.36 -0.01 2.07 -1.35 -0.25 0.00 0.00 175.29 176.11 1dz3 h PRO 26 N 6.00 0.00 -0.30 2.91 0.11 -1.87 -3.05 132.00 135.79 1dz3 h PRO 26 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1dz3 h PRO 26 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dz3 h PRO 26 CO 0.75 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 1dz3 n ASP 27 N -3.71 3.24 -4.30 -2.05 5.75 -1.26 -4.98 116.55 109.24 1dz3 n ASP 27 Ca -0.02 -1.95 -0.19 0.00 -0.01 0.00 0.00 54.79 52.63 1dz3 n ASP 27 Cb 0.24 -0.19 -0.11 0.00 -1.03 0.00 0.00 41.12 40.03 1dz3 n ASP 27 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1dz3 s MET 28 N -1.49 1.18 -0.00 0.11 -1.94 -1.16 -0.51 119.30 115.49 1dz3 s MET 28 Ca 0.34 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1dz3 s MET 28 Cb 0.21 -1.04 0.00 0.00 2.01 0.00 0.00 34.83 36.01 1dz3 s MET 28 CO 0.29 0.19 -0.01 -1.21 -0.01 0.00 0.00 175.02 174.27 1dz3 s GLU 29 N -3.11 0.10 -0.28 2.03 2.02 -0.21 -4.68 118.70 114.57 1dz3 s GLU 29 Ca 0.15 -0.01 -0.21 0.00 0.02 0.00 0.00 54.97 54.92 1dz3 s GLU 29 Cb -0.03 -0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 1dz3 s GLU 29 CO 0.05 -0.00 0.68 0.08 0.02 0.00 0.00 175.26 176.08 1dz3 s VAL 30 N 0.16 4.92 -1.02 2.63 1.01 -1.26 -0.66 120.40 126.18 1dz3 s VAL 30 Ca -0.01 1.07 0.11 0.00 0.00 0.00 0.00 61.98 63.15 1dz3 s VAL 30 Cb -0.03 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1dz3 s VAL 30 CO -0.00 -0.10 0.67 2.30 0.00 0.00 0.00 175.10 177.97 1dz3 n ILE 31 N 5.34 0.00 -3.59 2.22 -5.35 -0.11 -4.95 119.36 112.93 1dz3 n ILE 31 Ca 0.01 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 62.07 1dz3 n ILE 31 Cb 0.49 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.50 1dz3 n ILE 31 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1dz3 s GLY 32 N -1.47 -0.33 0.02 3.28 0.00 -1.25 -5.01 107.32 102.56 1dz3 s GLY 32 Ca 0.09 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 46.14 1dz3 s GLY 32 CO 0.29 0.43 0.01 -0.51 0.00 0.00 0.00 173.10 173.32 1dz3 s THR 33 N -2.51 0.11 0.02 0.90 -4.23 -1.26 -1.54 115.64 107.13 1dz3 s THR 33 Ca 0.10 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1dz3 s THR 33 Cb -0.00 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1dz3 s THR 33 CO -0.05 -0.48 0.13 0.00 -0.54 0.00 0.00 174.62 173.68 1dz3 s ALA 34 N -1.51 -0.23 -1.01 3.99 0.00 0.38 -4.95 121.76 118.44 1dz3 s ALA 34 Ca -0.15 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.58 1dz3 s ALA 34 Cb -0.09 0.20 0.21 0.00 0.00 0.00 0.00 23.12 23.44 1dz3 s ALA 34 CO -0.01 -0.28 1.10 0.66 0.00 0.00 0.00 175.76 177.23 1dz3 n TYR 35 N 1.05 0.28 -3.66 0.00 4.01 -1.26 -1.30 117.16 116.28 1dz3 n TYR 35 Ca -0.21 -0.33 -0.09 0.00 -0.16 0.00 0.00 57.90 57.12 1dz3 n TYR 35 Cb 0.57 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 1dz3 n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1dz3 s ASN 36 N -0.95 -0.38 0.20 7.72 2.20 -1.26 -3.80 114.94 118.67 1dz3 s ASN 36 Ca 0.18 -0.32 -0.10 0.00 -0.94 0.00 0.00 52.86 51.68 1dz3 s ASN 36 Cb 0.10 0.64 0.14 0.00 -2.00 0.00 0.00 41.25 40.13 1dz3 s ASN 36 CO 0.14 -1.12 1.83 1.23 -2.94 0.00 0.00 177.10 176.24 1dz3 h GLY 37 N 2.00 1.07 1.00 0.45 0.00 -1.92 -1.47 103.07 104.20 1dz3 h GLY 37 Ca -0.25 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1dz3 h GLY 37 CO 0.29 0.45 0.32 0.06 0.00 0.00 0.00 176.54 177.67 1dz3 h GLN 38 N 1.00 0.96 -0.25 4.80 3.07 -1.98 -1.43 115.11 121.28 1dz3 h GLN 38 Ca 0.26 -0.14 -0.13 0.00 0.09 0.00 0.00 58.65 58.73 1dz3 h GLN 38 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.39 1dz3 h GLN 38 CO -0.04 0.76 -0.37 -0.44 0.09 0.00 0.00 178.83 178.83 1dz3 h ASP 39 N 0.92 0.58 -0.60 0.06 3.32 -1.96 -2.13 116.42 116.61 1dz3 h ASP 39 Ca 0.23 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1dz3 h ASP 39 Cb 0.12 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1dz3 h ASP 39 CO -0.03 0.90 0.31 0.00 -1.72 0.00 0.00 179.24 178.70 1dz3 h LEU 41 N 0.58 0.70 -0.45 0.00 3.38 -1.01 -1.76 115.31 116.75 1dz3 h LEU 41 Ca 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1dz3 h LEU 41 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1dz3 h LEU 41 CO -0.19 0.81 0.18 -0.61 0.09 0.00 0.00 178.44 178.72 1dz3 h GLN 42 N 0.67 0.66 -0.78 1.13 4.15 -1.27 -2.79 115.11 116.88 1dz3 h GLN 42 Ca 0.12 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1dz3 h GLN 42 Cb 0.50 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1dz3 h GLN 42 CO 0.03 0.61 0.48 1.98 -1.93 0.00 0.00 178.83 180.00 1dz3 h MET 43 N 0.58 0.89 0.00 1.69 4.05 -0.66 -2.89 114.93 118.59 1dz3 h MET 43 Ca 0.15 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 1dz3 h MET 43 Cb 0.19 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1dz3 h MET 43 CO -0.01 0.59 -0.40 -0.07 0.23 0.00 0.00 176.91 177.25 1dz3 h LEU 44 N 0.92 0.00 -1.47 3.39 3.38 -1.12 -0.49 115.31 119.92 1dz3 h LEU 44 Ca 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1dz3 h LEU 44 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1dz3 h LEU 44 CO -0.14 0.40 -0.15 -0.33 0.09 0.00 0.00 178.44 178.30 1dz3 h GLU 45 N 0.00 0.15 0.08 1.13 5.08 -1.28 -3.16 114.58 116.59 1dz3 h GLU 45 Ca -0.00 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.96 1dz3 h GLU 45 Cb 0.72 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1dz3 h GLU 45 CO 0.05 0.31 -2.10 0.39 -1.00 0.00 0.00 179.01 176.67 1dz3 n GLU 46 N -4.28 0.72 -0.01 2.33 1.02 -0.94 -4.74 120.64 114.74 1dz3 n GLU 46 Ca -0.01 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1dz3 n GLU 46 Cb 0.27 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 1dz3 n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dz3 n LYS 47 N -3.35 0.49 -3.84 3.49 5.02 -0.24 -5.03 118.16 114.71 1dz3 n LYS 47 Ca -0.34 -0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 55.55 1dz3 n LYS 47 Cb 1.04 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.58 1dz3 n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dz3 n ARG 48 N -1.88 -1.11 -1.47 1.97 1.74 -1.19 -4.93 116.66 109.79 1dz3 n ARG 48 Ca -0.00 0.51 -0.31 0.00 -0.77 0.00 0.00 57.85 57.27 1dz3 n ARG 48 Cb 0.44 -2.14 0.07 0.00 -1.02 0.00 0.00 32.46 29.80 1dz3 n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1dz3 s PRO 49 N -5.58 2.57 0.13 5.56 0.04 -1.26 -4.97 135.00 131.49 1dz3 s PRO 49 Ca 0.14 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1dz3 s PRO 49 Cb -0.08 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1dz3 s PRO 49 CO 0.88 -1.36 1.31 -0.44 0.04 0.00 0.00 177.00 177.42 1dz3 h ASP 50 N -0.91 0.51 -3.65 6.66 3.32 -1.35 -3.38 116.42 117.63 1dz3 h ASP 50 Ca -0.44 -0.41 -0.39 0.00 0.02 0.00 0.00 57.03 55.80 1dz3 h ASP 50 Cb 1.23 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.30 1dz3 h ASP 50 CO 0.56 1.21 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.89 1dz3 s ILE 51 N -3.26 0.56 -0.17 0.35 -1.09 -0.70 -1.62 121.20 115.28 1dz3 s ILE 51 Ca -0.06 -0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 1dz3 s ILE 51 Cb 0.09 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.43 1dz3 s ILE 51 CO 0.86 0.20 -0.15 -0.22 -1.23 0.00 0.00 174.94 174.41 1dz3 s LEU 52 N 0.51 2.42 -0.34 2.97 2.96 -0.53 -0.85 118.68 125.82 1dz3 s LEU 52 Ca -0.07 -0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 53.13 1dz3 s LEU 52 Cb -0.10 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 1dz3 s LEU 52 CO 0.00 0.04 0.57 -0.76 -1.32 0.00 0.00 176.35 174.88 1dz3 s LEU 53 N 1.07 4.26 -0.06 -0.68 1.43 -0.18 -1.08 118.68 123.44 1dz3 s LEU 53 Ca -0.00 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1dz3 s LEU 53 Cb -0.14 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1dz3 s LEU 53 CO -0.05 -0.50 -0.16 -0.22 0.23 0.00 0.00 176.35 175.66 1dz3 s LEU 54 N 2.51 1.81 0.08 1.79 2.96 -0.34 -1.12 118.68 126.38 1dz3 s LEU 54 Ca 0.22 -0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 1dz3 s LEU 54 Cb -0.15 -0.97 -0.08 0.00 0.50 0.00 0.00 46.19 45.49 1dz3 s LEU 54 CO 0.13 0.09 1.53 -0.62 -1.32 0.00 0.00 176.35 176.16 1dz3 s ASP 55 N 0.42 6.70 0.23 3.68 -1.08 -0.48 -0.55 116.67 125.58 1dz3 s ASP 55 Ca -0.12 2.40 -0.04 0.00 -0.52 0.00 0.00 52.55 54.27 1dz3 s ASP 55 Cb -0.15 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 38.98 1dz3 s ASP 55 CO 0.04 -0.79 1.70 -0.29 0.52 0.00 0.00 175.17 176.35 1dz3 h ILE 56 N 4.55 1.26 -3.23 4.11 6.09 -1.86 -3.13 117.51 125.30 1dz3 h ILE 56 Ca -0.42 -1.13 -0.64 0.00 -1.37 0.00 0.00 64.86 61.31 1dz3 h ILE 56 Cb 1.20 0.96 -0.34 0.00 0.47 0.00 0.00 36.82 39.11 1dz3 h ILE 56 CO 0.91 0.39 -0.86 -0.63 -3.07 0.00 0.00 178.15 174.90 1dz3 s ILE 57 N -4.87 1.82 -0.01 2.19 -1.09 -1.26 -0.91 121.20 117.07 1dz3 s ILE 57 Ca -0.10 -0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 57.41 1dz3 s ILE 57 Cb 0.14 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1dz3 s ILE 57 CO 0.83 0.50 0.15 -0.04 -1.23 0.00 0.00 174.94 175.15 1dz3 s MET 58 N 0.88 0.45 0.70 2.79 -1.94 -1.26 -4.86 119.30 116.06 1dz3 s MET 58 Ca -0.07 -0.30 -0.17 0.00 -1.71 0.00 0.00 55.69 53.44 1dz3 s MET 58 Cb -0.15 0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.89 1dz3 s MET 58 CO -0.02 -0.10 1.25 -0.35 -0.01 0.00 0.00 175.02 175.79 1dz3 n PRO 59 N 1.66 0.83 0.00 2.03 -0.04 -1.26 -3.58 135.00 134.64 1dz3 n PRO 59 Ca -0.21 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1dz3 n PRO 59 Cb 0.56 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1dz3 n PRO 59 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1dz3 n HIS 60 N -2.33 0.00 -3.75 0.54 -0.00 -1.26 -4.58 115.22 103.84 1dz3 n HIS 60 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.57 1dz3 n HIS 60 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.33 1dz3 n HIS 60 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1dz3 s LEU 61 N 0.00 2.34 0.00 0.27 2.96 -1.26 -5.11 118.68 117.88 1dz3 s LEU 61 Ca 0.00 -1.64 -0.05 0.00 -0.22 0.00 0.00 54.13 52.22 1dz3 s LEU 61 Cb 0.00 -0.90 0.15 0.00 0.50 0.00 0.00 46.19 45.94 1dz3 s LEU 61 CO 0.00 -0.41 0.99 -0.90 -1.32 0.00 0.00 176.35 174.72 1dz3 n ASP 62 N 4.82 0.85 0.00 3.68 5.68 -1.23 -4.29 116.55 126.06 1dz3 n ASP 62 Ca -0.02 -1.83 -0.02 0.00 -0.50 0.00 0.00 54.79 52.42 1dz3 n ASP 62 Cb 0.42 -0.69 0.24 0.00 -1.14 0.00 0.00 41.12 39.95 1dz3 n ASP 62 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1dz3 h GLY 63 N -0.87 0.56 1.55 6.12 0.00 -0.96 -0.22 103.07 109.24 1dz3 h GLY 63 Ca -0.33 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.48 1dz3 h GLY 63 CO 0.30 0.37 -0.40 -2.00 0.00 0.00 0.00 176.54 174.81 1dz3 h LEU 64 N 0.48 0.53 -0.53 3.11 5.85 -1.85 -0.25 115.31 122.64 1dz3 h LEU 64 Ca 0.09 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1dz3 h LEU 64 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1dz3 h LEU 64 CO 0.03 0.87 -0.26 0.00 -0.34 0.00 0.00 178.44 178.74 1dz3 h ALA 65 N 1.16 0.72 -0.43 1.25 0.00 -1.77 -1.25 119.26 118.94 1dz3 h ALA 65 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dz3 h ALA 65 Cb 0.88 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1dz3 h ALA 65 CO 0.07 0.67 0.25 0.28 0.00 0.00 0.00 179.25 180.52 1dz3 h VAL 66 N 0.78 1.14 -0.82 0.00 2.07 -0.86 -1.83 116.25 116.74 1dz3 h VAL 66 Ca 0.09 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dz3 h VAL 66 Cb 0.82 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1dz3 h VAL 66 CO 0.07 0.14 0.48 0.25 0.02 0.00 0.00 177.57 178.53 1dz3 h LEU 67 N 0.56 1.00 -1.10 2.57 5.85 -0.52 -1.18 115.31 122.49 1dz3 h LEU 67 Ca 0.15 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1dz3 h LEU 67 Cb 0.00 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1dz3 h LEU 67 CO -0.03 0.79 0.53 -0.33 -0.34 0.00 0.00 178.44 179.06 1dz3 h GLU 68 N 1.13 1.14 -0.21 1.25 5.08 -1.03 -0.93 114.58 121.00 1dz3 h GLU 68 Ca 0.29 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1dz3 h GLU 68 Cb -0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1dz3 h GLU 68 CO -0.05 0.78 -0.43 0.00 -1.00 0.00 0.00 179.01 178.31 1dz3 h ARG 69 N 1.16 0.52 -0.50 2.33 3.08 -0.89 0.84 114.38 120.93 1dz3 h ARG 69 Ca 0.31 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1dz3 h ARG 69 Cb -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1dz3 h ARG 69 CO -0.06 0.86 0.24 0.82 -1.07 0.00 0.00 179.97 180.76 1dz3 h ILE 70 N 0.43 1.19 -0.02 2.04 2.04 -0.73 -0.77 117.51 121.69 1dz3 h ILE 70 Ca 0.03 -0.55 -0.18 0.00 1.00 0.00 0.00 64.86 65.16 1dz3 h ILE 70 Cb 0.93 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1dz3 h ILE 70 CO 0.08 0.22 -0.78 0.03 0.00 0.00 0.00 178.15 177.70 1dz3 h ARG 71 N 0.66 0.18 0.00 2.37 2.47 -0.90 -2.56 114.38 116.59 1dz3 h ARG 71 Ca 0.17 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1dz3 h ARG 71 Cb 0.12 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1dz3 h ARG 71 CO -0.02 0.87 -0.79 0.00 0.56 0.00 0.00 179.97 180.59 1dz3 h ALA 72 N 1.07 0.60 0.00 0.04 0.00 -0.70 -3.42 119.26 116.86 1dz3 h ALA 72 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dz3 h ALA 72 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1dz3 h ALA 72 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1dz3 n GLY 73 N 1.17 0.04 3.65 0.00 0.00 -0.31 -5.07 105.19 104.68 1dz3 n GLY 73 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1dz3 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dz3 s PHE 74 N -0.36 3.10 -0.00 1.61 0.40 -0.97 -5.00 117.98 116.76 1dz3 s PHE 74 Ca 0.00 0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 1dz3 s PHE 74 Cb 0.00 -1.78 -0.31 0.00 0.51 0.00 0.00 43.02 41.44 1dz3 s PHE 74 CO 0.00 0.40 0.85 1.49 0.70 0.00 0.00 175.22 178.66 1dz3 h GLU 75 N 5.29 0.37 -4.99 0.44 4.81 -1.97 -3.43 114.58 115.12 1dz3 h GLU 75 Ca -0.49 -0.64 -0.65 0.00 -0.13 0.00 0.00 59.36 57.45 1dz3 h GLU 75 Cb 1.19 0.24 -0.22 0.00 0.63 0.00 0.00 28.75 30.58 1dz3 h GLU 75 CO 0.54 1.28 -0.62 -1.01 -0.73 0.00 0.00 179.01 178.47 1dz3 s HIS 76 N -2.60 3.09 -0.05 0.92 3.76 -1.26 -5.08 115.29 114.07 1dz3 s HIS 76 Ca -0.11 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 1dz3 s HIS 76 Cb 0.06 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 1dz3 s HIS 76 CO 0.88 -0.32 -0.23 -0.65 -0.85 0.00 0.00 174.74 173.57 1dz3 s GLN 77 N 1.48 2.24 0.64 1.40 -0.21 -1.26 -5.04 119.66 118.92 1dz3 s GLN 77 Ca 0.06 -0.82 -0.12 0.00 0.02 0.00 0.00 55.36 54.49 1dz3 s GLN 77 Cb -0.15 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 1dz3 s GLN 77 CO 0.03 0.37 1.04 -1.25 -2.12 0.00 0.00 175.29 173.37 1dz3 s PRO 78 N -0.19 3.33 -0.01 2.91 0.04 -1.26 -4.99 135.00 134.83 1dz3 s PRO 78 Ca -0.01 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1dz3 s PRO 78 Cb -0.12 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1dz3 s PRO 78 CO 0.02 -0.78 1.27 -0.80 0.04 0.00 0.00 177.00 176.75 1dz3 s ASN 79 N -3.75 6.99 -0.17 6.66 0.01 -0.64 -4.85 114.94 119.18 1dz3 s ASN 79 Ca 0.58 1.96 -0.08 0.00 -0.71 0.00 0.00 52.86 54.61 1dz3 s ASN 79 Cb -0.13 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1dz3 s ASN 79 CO 0.50 -0.61 0.09 -0.69 -1.51 0.00 0.00 177.10 174.89 1dz3 s VAL 80 N 2.02 5.08 -0.23 1.60 1.01 -1.26 -1.45 120.40 127.17 1dz3 s VAL 80 Ca 0.59 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1dz3 s VAL 80 Cb -0.28 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1dz3 s VAL 80 CO 0.25 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 175.08 1dz3 s ILE 81 N 0.11 2.47 0.26 2.22 1.01 -0.24 -0.70 121.20 126.33 1dz3 s ILE 81 Ca 0.07 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 1dz3 s ILE 81 Cb -0.12 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1dz3 s ILE 81 CO -0.00 0.28 1.10 -0.04 0.00 0.00 0.00 174.94 176.28 1dz3 s MET 82 N 1.27 4.63 -0.43 2.79 -1.94 0.40 -1.19 119.30 124.82 1dz3 s MET 82 Ca 0.00 1.79 -0.23 0.00 -1.71 0.00 0.00 55.69 55.55 1dz3 s MET 82 Cb -0.16 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.50 1dz3 s MET 82 CO -0.07 0.18 0.76 -0.51 -0.01 0.00 0.00 175.02 175.36 1dz3 s LEU 83 N -1.23 4.27 -0.15 -0.03 1.43 0.29 -0.19 118.68 123.07 1dz3 s LEU 83 Ca 0.45 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1dz3 s LEU 83 Cb -0.32 -2.93 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 1dz3 s LEU 83 CO 0.40 -0.86 -0.14 -0.89 0.23 0.00 0.00 176.35 175.09 1dz3 s THR 84 N 3.17 2.78 0.38 5.49 2.01 -0.40 -2.57 115.64 126.50 1dz3 s THR 84 Ca 0.29 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.63 1dz3 s THR 84 Cb -0.13 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1dz3 s THR 84 CO 0.21 0.51 0.44 0.00 -0.69 0.00 0.00 174.62 175.10 1dz3 s ALA 85 N 0.75 4.21 0.18 7.40 0.00 -1.26 -1.16 121.76 131.87 1dz3 s ALA 85 Ca -0.06 -1.67 -0.33 0.00 0.00 0.00 0.00 51.96 49.91 1dz3 s ALA 85 Cb -0.15 -1.40 -0.15 0.00 0.00 0.00 0.00 23.12 21.41 1dz3 s ALA 85 CO 0.01 -0.15 1.23 0.34 0.00 0.00 0.00 175.76 177.19 1dz3 n PHE 86 N -1.63 1.51 0.00 0.00 -0.00 -1.26 -0.99 117.46 115.09 1dz3 n PHE 86 Ca 0.03 0.62 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 1dz3 n PHE 86 Cb 0.60 -2.33 0.00 0.00 -0.00 0.00 0.00 39.48 37.75 1dz3 n PHE 86 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dz3 n GLY 87 N 2.09 1.89 1.14 7.13 0.00 -1.26 -4.87 105.19 111.31 1dz3 n GLY 87 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1dz3 n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dz3 n GLN 88 N -2.00 2.87 -0.16 1.61 6.02 -0.16 -4.57 117.38 120.98 1dz3 n GLN 88 Ca 0.00 -2.50 -0.09 0.00 -0.01 0.00 0.00 57.00 54.41 1dz3 n GLN 88 Cb 0.00 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1dz3 n GLN 88 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1dz3 h GLU 89 N 3.52 0.70 -1.00 -1.09 3.07 -1.90 -2.40 114.58 115.48 1dz3 h GLU 89 Ca 0.00 -0.13 0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1dz3 h GLU 89 Cb 0.96 -0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.69 1dz3 h GLU 89 CO 0.02 0.65 0.65 -0.44 -1.40 0.00 0.00 179.01 178.49 1dz3 h ASP 90 N 0.61 1.07 0.29 1.42 3.32 -1.97 -2.18 116.42 118.98 1dz3 h ASP 90 Ca 0.15 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1dz3 h ASP 90 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1dz3 h ASP 90 CO -0.01 0.71 -0.49 0.58 -1.72 0.00 0.00 179.24 178.32 1dz3 h VAL 91 N 1.23 1.34 -0.61 -1.35 2.07 -1.86 -2.88 116.25 114.20 1dz3 h VAL 91 Ca 0.41 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1dz3 h VAL 91 Cb 0.07 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1dz3 h VAL 91 CO -0.14 0.51 0.38 0.74 0.02 0.00 0.00 177.57 179.07 1dz3 h THR 92 N 0.19 1.17 -0.35 2.57 2.02 -0.92 -2.73 112.91 114.85 1dz3 h THR 92 Ca 0.01 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1dz3 h THR 92 Cb 0.93 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1dz3 h THR 92 CO 0.08 0.17 0.24 0.50 0.37 0.00 0.00 175.52 176.87 1dz3 h LYS 93 N 0.84 0.28 -0.62 6.66 3.64 -1.17 -0.82 116.57 125.37 1dz3 h LYS 93 Ca 0.22 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1dz3 h LYS 93 Cb -0.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1dz3 h LYS 93 CO -0.04 0.18 0.14 0.87 -2.27 0.00 0.00 179.45 178.33 1dz3 h LYS 94 N 0.28 0.99 -0.28 1.90 1.57 -1.59 -1.07 116.57 118.37 1dz3 h LYS 94 Ca 0.15 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1dz3 h LYS 94 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1dz3 h LYS 94 CO -0.03 0.91 -0.10 0.00 -0.57 0.00 0.00 179.45 179.66 1dz3 h ALA 95 N 1.04 1.31 -0.03 3.86 0.00 -1.35 -2.33 119.26 121.76 1dz3 h ALA 95 Ca 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1dz3 h ALA 95 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dz3 h ALA 95 CO 0.00 0.46 -0.34 0.28 0.00 0.00 0.00 179.25 179.65 1dz3 h VAL 96 N 0.43 1.26 0.00 0.00 2.07 -0.43 -2.00 116.25 117.58 1dz3 h VAL 96 Ca 0.08 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1dz3 h VAL 96 Cb 0.44 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1dz3 h VAL 96 CO 0.02 0.36 -0.17 -0.33 0.02 0.00 0.00 177.57 177.47 1dz3 h GLU 97 N 0.05 0.00 -0.45 1.57 5.08 -0.70 0.54 114.58 120.68 1dz3 h GLU 97 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dz3 h GLU 97 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dz3 h GLU 97 CO 0.05 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 1dz3 n LEU 98 N -4.09 2.38 0.00 1.33 4.77 -0.84 -4.92 117.00 115.63 1dz3 n LEU 98 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1dz3 n LEU 98 Cb 0.25 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1dz3 n LEU 98 CO 0.34 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1dz3 n GLY 99 N 1.14 0.36 3.83 -0.72 0.00 0.18 -5.06 105.19 104.92 1dz3 n GLY 99 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1dz3 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dz3 s ALA 100 N -2.00 2.50 0.26 4.61 0.00 -0.81 -4.83 121.76 121.49 1dz3 s ALA 100 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1dz3 s ALA 100 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1dz3 s ALA 100 CO 0.00 -1.48 0.16 -1.13 0.00 0.00 0.00 175.76 173.31 1dz3 n SER 101 N -3.26 2.04 -3.72 0.00 3.41 0.12 -4.22 113.62 107.99 1dz3 n SER 101 Ca 0.07 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.62 1dz3 n SER 101 Cb 0.56 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1dz3 n SER 101 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1dz3 s TYR 102 N -1.45 -0.07 -0.06 7.33 1.13 -1.26 -0.46 117.35 122.51 1dz3 s TYR 102 Ca 0.12 -0.28 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 1dz3 s TYR 102 Cb -0.01 0.21 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 1dz3 s TYR 102 CO 0.08 -0.73 -0.01 0.12 -2.51 0.00 0.00 175.55 172.50 1dz3 s PHE 103 N -3.85 0.61 -0.33 -3.49 5.36 0.73 -4.81 117.98 112.20 1dz3 s PHE 103 Ca 0.06 -0.14 -0.29 0.00 -0.96 0.00 0.00 56.93 55.61 1dz3 s PHE 103 Cb 0.02 -0.69 0.02 0.00 -0.34 0.00 0.00 43.02 42.03 1dz3 s PHE 103 CO -0.08 -0.25 1.09 0.42 -1.46 0.00 0.00 175.22 174.93 1dz3 s ILE 104 N 1.54 4.46 -0.53 3.12 -1.09 -1.26 -1.27 121.20 126.17 1dz3 s ILE 104 Ca -0.02 1.67 -0.18 0.00 -2.23 0.00 0.00 60.65 59.89 1dz3 s ILE 104 Cb -0.13 -4.42 0.08 0.00 -1.58 0.00 0.00 42.46 36.41 1dz3 s ILE 104 CO -0.03 -0.53 0.60 -0.22 -1.23 0.00 0.00 174.94 173.52 1dz3 s LEU 105 N 3.77 5.30 0.40 2.97 2.96 -0.31 -4.94 118.68 128.83 1dz3 s LEU 105 Ca 0.46 -1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 52.96 1dz3 s LEU 105 Cb -0.12 -2.34 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 1dz3 s LEU 105 CO 0.17 -0.91 0.90 -0.54 -1.32 0.00 0.00 176.35 174.66 1dz3 s LYS 106 N 2.38 4.22 0.44 1.98 -0.14 -1.26 -4.39 119.74 122.98 1dz3 s LYS 106 Ca 0.11 1.05 0.14 0.00 -1.36 0.00 0.00 55.97 55.91 1dz3 s LYS 106 Cb -0.22 -2.29 0.98 0.00 -1.68 0.00 0.00 37.83 34.62 1dz3 s LYS 106 CO 0.09 0.04 1.99 -1.00 -0.76 0.00 0.00 175.35 175.71 1dz3 h PRO 107 N 2.11 0.04 -5.12 -1.68 0.13 -2.01 -3.44 132.00 122.03 1dz3 h PRO 107 Ca -0.49 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.23 1dz3 h PRO 107 Cb 1.18 -0.01 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 1dz3 h PRO 107 CO 0.62 0.20 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.75 1dz3 s PHE 108 N -4.68 1.08 -0.36 1.56 0.08 -1.26 -5.13 117.98 109.27 1dz3 s PHE 108 Ca -0.04 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 1dz3 s PHE 108 Cb 0.16 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.99 1dz3 s PHE 108 CO 0.70 0.02 0.98 0.34 -0.10 0.00 0.00 175.22 177.15 1dz3 s ASP 109 N -1.17 6.75 0.00 1.36 -1.08 -1.26 -4.90 116.67 116.37 1dz3 s ASP 109 Ca -0.00 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.00 1dz3 s ASP 109 Cb -0.08 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.45 1dz3 s ASP 109 CO 0.01 -0.88 1.46 0.80 0.52 0.00 0.00 175.17 177.08 1dz3 n MET 110 N 6.84 1.73 -1.65 4.34 1.56 -1.26 -4.94 117.12 123.74 1dz3 n MET 110 Ca 0.09 -1.25 -0.51 0.00 -0.27 0.00 0.00 57.70 55.76 1dz3 n MET 110 Cb 0.48 -1.47 -0.06 0.00 2.15 0.00 0.00 33.22 34.32 1dz3 n MET 110 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1dz3 n GLU 111 N 0.45 1.54 -1.00 2.12 0.00 -1.26 -1.39 120.64 121.11 1dz3 n GLU 111 Ca 0.15 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.87 1dz3 n GLU 111 Cb 0.46 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.63 1dz3 n GLU 111 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1dz3 n ASN 112 N 3.95 -0.69 -0.05 4.31 5.15 -1.26 -4.91 115.26 121.76 1dz3 n ASN 112 Ca 0.20 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.05 1dz3 n ASN 112 Cb 0.22 -0.12 -0.07 0.00 -0.53 0.00 0.00 39.78 39.28 1dz3 n ASN 112 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1dz3 h LEU 113 N 0.00 0.31 -1.01 1.20 5.85 -1.59 -0.41 115.31 119.66 1dz3 h LEU 113 Ca 0.00 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1dz3 h LEU 113 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1dz3 h LEU 113 CO 0.00 0.71 -0.43 0.00 -0.34 0.00 0.00 178.44 178.38 1dz3 h ALA 114 N 0.61 1.17 -0.11 1.25 0.00 -1.91 -0.69 119.26 119.57 1dz3 h ALA 114 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1dz3 h ALA 114 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dz3 h ALA 114 CO 0.03 0.58 0.05 1.25 0.00 0.00 0.00 179.25 181.16 1dz3 h HIS 115 N 0.11 0.17 -0.58 0.00 -0.00 -1.89 -1.68 115.15 111.29 1dz3 h HIS 115 Ca 0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1dz3 h HIS 115 Cb 0.81 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.13 1dz3 h HIS 115 CO 0.01 0.26 0.34 1.25 -0.00 0.00 0.00 177.93 179.79 1dz3 h HIS 116 N 0.03 0.63 -0.47 5.26 6.17 -0.69 0.26 115.15 126.34 1dz3 h HIS 116 Ca 0.04 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.20 1dz3 h HIS 116 Cb 0.16 -0.20 -0.05 0.00 2.52 0.00 0.00 27.41 29.84 1dz3 h HIS 116 CO -0.02 0.34 0.19 0.82 0.71 0.00 0.00 177.93 179.97 1dz3 h ILE 117 N 0.66 0.88 -0.70 6.26 2.04 -0.95 -0.41 117.51 125.29 1dz3 h ILE 117 Ca 0.24 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1dz3 h ILE 117 Cb 0.07 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1dz3 h ILE 117 CO -0.12 0.07 0.36 0.03 0.00 0.00 0.00 178.15 178.48 1dz3 h ARG 118 N 0.38 0.99 -0.54 2.37 3.08 -0.65 -0.43 114.38 119.57 1dz3 h ARG 118 Ca 0.22 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1dz3 h ARG 118 Cb 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1dz3 h ARG 118 CO -0.21 0.76 0.36 0.37 -1.07 0.00 0.00 179.97 180.18 1dz3 h GLN 119 N 0.96 0.70 -0.02 0.04 4.15 -0.09 0.11 115.11 120.97 1dz3 h GLN 119 Ca 0.24 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1dz3 h GLN 119 Cb 0.08 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1dz3 h GLN 119 CO -0.03 0.47 0.01 0.28 -1.93 0.00 0.00 178.83 177.62 1dz3 h VAL 120 N 0.73 1.09 -0.89 2.39 2.07 -0.81 -2.34 116.25 118.49 1dz3 h VAL 120 Ca 0.20 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1dz3 h VAL 120 Cb -0.08 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1dz3 h VAL 120 CO -0.05 0.07 0.52 0.22 0.02 0.00 0.00 177.57 178.35 1dz3 h TYR 121 N -0.08 1.18 -0.81 1.57 3.20 -0.96 -2.39 116.97 118.69 1dz3 h TYR 121 Ca 0.01 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1dz3 h TYR 121 Cb 0.10 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 1dz3 h TYR 121 CO -0.04 0.80 0.53 0.78 -1.64 0.00 0.00 178.16 178.59 1dz3 h GLY 122 N 1.23 1.14 -5.90 1.82 0.00 -0.78 -3.27 103.07 97.31 1dz3 h GLY 122 Ca 0.32 -0.40 -0.72 0.00 0.00 0.00 0.00 47.33 46.53 1dz3 h GLY 122 CO -0.06 0.36 2.85 1.17 0.00 0.00 0.00 176.54 180.86 1dz3 n LYS 123 N -4.44 3.46 0.00 4.80 4.81 -0.90 -5.10 118.16 120.79 1dz3 n LYS 123 Ca 0.10 -2.91 0.00 0.00 -0.87 0.00 0.00 58.31 54.63 1dz3 n LYS 123 Cb 0.10 -3.01 0.00 0.00 0.02 0.00 0.00 35.03 32.14 1dz3 n LYS 123 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20