#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dza h ALA 43 N 0.00 -0.22 -0.85 0.00 0.00 -2.05 -1.55 119.26 114.60 3dza h ALA 43 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3dza h ALA 43 Cb 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3dza h ALA 43 CO 0.00 -0.66 0.50 1.15 0.00 0.00 0.00 179.25 180.24 3dza h THR 44 N -0.28 0.96 -0.47 0.00 2.02 -2.05 -0.01 112.91 113.07 3dza h THR 44 Ca 0.04 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3dza h THR 44 Cb 0.33 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3dza h THR 44 CO -0.13 0.16 0.14 0.74 0.37 0.00 0.00 175.52 176.79 3dza h THR 45 N 0.87 1.23 -0.26 3.16 2.02 -1.90 0.07 112.91 118.09 3dza h THR 45 Ca 0.39 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3dza h THR 45 Cb 0.30 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3dza h THR 45 CO -0.22 0.28 0.06 -0.61 0.37 0.00 0.00 175.52 175.39 3dza h GLN 46 N 0.63 0.43 -0.15 6.66 -0.00 -0.94 -1.43 115.11 120.31 3dza h GLN 46 Ca 0.15 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3dza h GLN 46 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3dza h GLN 46 CO -0.00 0.53 0.09 0.28 0.00 0.00 0.00 178.83 179.73 3dza h VAL 47 N 0.25 1.09 -0.69 2.39 2.07 -0.81 -1.57 116.25 118.98 3dza h VAL 47 Ca 0.08 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3dza h VAL 47 Cb 0.30 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3dza h VAL 47 CO 0.00 0.08 0.16 1.56 0.02 0.00 0.00 177.57 179.39 3dza h GLN 48 N 0.16 1.11 -0.17 1.57 4.20 -0.98 -1.67 115.11 119.33 3dza h GLN 48 Ca 0.05 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3dza h GLN 48 Cb 0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3dza h GLN 48 CO -0.01 0.98 0.07 -0.22 -0.67 0.00 0.00 178.83 178.99 3dza h LYS 49 N 1.05 0.25 -0.23 1.46 1.63 -1.08 -0.33 116.57 119.33 3dza h LYS 49 Ca 0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 3dza h LYS 49 Cb 0.38 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 3dza h LYS 49 CO 0.00 0.32 0.09 1.49 -3.45 0.00 0.00 179.45 177.90 3dza h GLU 50 N 0.13 0.34 -0.45 1.90 4.81 -1.22 -0.61 114.58 119.48 3dza h GLU 50 Ca 0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3dza h GLU 50 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3dza h GLU 50 CO -0.01 0.39 0.27 0.00 -0.73 0.00 0.00 179.01 178.93 3dza h ALA 51 N 0.93 0.58 -0.51 2.92 0.00 -1.23 -2.47 119.26 119.48 3dza h ALA 51 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3dza h ALA 51 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dza h ALA 51 CO -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.14 3dza h ALA 52 N 1.20 0.69 -0.52 0.00 0.00 -0.97 -2.01 119.26 117.65 3dza h ALA 52 Ca 0.18 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3dza h ALA 52 Cb 0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3dza h ALA 52 CO -0.08 0.56 0.19 -0.44 0.00 0.00 0.00 179.25 179.48 3dza h ASP 53 N 0.81 0.19 1.19 0.00 3.32 -0.89 -0.69 116.42 120.34 3dza h ASP 53 Ca 0.14 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3dza h ASP 53 Cb 0.61 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3dza h ASP 53 CO 0.04 0.13 0.00 -0.37 -1.72 0.00 0.00 179.24 177.32 3dza h VAL 54 N 0.36 0.00 -0.09 -1.35 -1.51 -1.20 -2.20 116.25 110.26 3dza h VAL 54 Ca 0.25 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3dza h VAL 54 Cb 0.28 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3dza h VAL 54 CO -0.26 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.26 3dza n LEU 55 N -2.35 1.99 -3.81 4.19 4.77 -0.64 -4.96 117.00 116.19 3dza n LEU 55 Ca 0.04 -0.73 -0.27 0.00 -0.03 0.00 0.00 56.01 55.02 3dza n LEU 55 Cb 0.35 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3dza n LEU 55 CO 0.26 0.36 0.07 0.00 -1.33 0.00 0.00 177.39 176.76 3dza n GLN 56 N 0.55 -5.61 -5.09 3.23 6.02 -0.63 -4.99 117.38 110.85 3dza n GLN 56 Ca 0.17 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.47 3dza n GLN 56 Cb 0.42 -5.44 -0.17 0.00 1.02 0.00 0.00 30.24 26.07 3dza n GLN 56 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dza s VAL 57 N -3.42 2.07 -1.18 5.09 1.01 -0.36 -4.83 120.40 118.78 3dza s VAL 57 Ca 0.45 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3dza s VAL 57 Cb -0.22 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.47 3dza s VAL 57 CO 0.81 0.56 1.52 0.00 0.00 0.00 0.00 175.10 177.99 3dza s ALA 58 N 0.45 3.45 0.56 5.51 0.00 0.12 -4.03 121.76 127.82 3dza s ALA 58 Ca -0.16 -2.94 0.25 0.00 0.00 0.00 0.00 51.96 49.10 3dza s ALA 58 Cb -0.17 -4.39 1.50 0.00 0.00 0.00 0.00 23.12 20.06 3dza s ALA 58 CO 0.06 -3.14 2.10 -0.24 0.00 0.00 0.00 175.76 174.55 3dza h VAL 59 N 5.50 0.68 -0.78 0.00 3.04 -1.87 0.47 116.25 123.30 3dza h VAL 59 Ca 0.33 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.09 3dza h VAL 59 Cb 0.91 0.87 -0.05 0.00 -2.01 0.00 0.00 31.29 31.01 3dza h VAL 59 CO 1.34 0.00 0.51 -0.61 -1.01 0.00 0.00 177.57 177.80 3dza h GLN 60 N 0.00 0.80 -0.21 4.17 4.15 -1.89 0.15 115.11 122.28 3dza h GLN 60 Ca 0.09 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 3dza h GLN 60 Cb 0.44 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 3dza h GLN 60 CO -0.00 0.53 -0.23 0.78 -1.93 0.00 0.00 178.83 177.97 3dza h GLY 61 N 0.82 0.58 0.40 2.39 0.00 -1.20 -0.97 103.07 105.09 3dza h GLY 61 Ca 0.34 -0.61 0.11 0.00 0.00 0.00 0.00 47.33 47.18 3dza h GLY 61 CO -0.12 0.55 0.44 0.00 0.00 0.00 0.00 176.54 177.40 3dza h ALA 62 N 0.65 1.18 -0.52 3.60 0.00 -1.20 -2.30 119.26 120.66 3dza h ALA 62 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3dza h ALA 62 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dza h ALA 62 CO 0.06 0.00 -0.11 -0.91 0.00 0.00 0.00 179.25 178.29 3dza h ASN 63 N 0.69 1.00 0.00 0.00 2.35 -0.58 0.48 115.58 119.53 3dza h ASN 63 Ca 0.41 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3dza h ASN 63 Cb 0.47 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3dza h ASN 63 CO -0.29 1.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 3dza n ALA 64 N -2.49 1.39 0.00 -0.83 0.00 -0.38 -0.73 120.51 117.47 3dza n ALA 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dza n ALA 64 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3dza n ALA 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dza n ARG 66 N 0.72 0.00 -0.15 0.00 0.63 0.16 -1.51 116.66 116.51 3dza n ARG 66 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3dza n ARG 66 Cb 0.04 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.01 3dza n ARG 66 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3dza h ASP 67 N 0.00 0.07 -0.07 6.15 3.32 -1.19 -0.16 116.42 124.54 3dza h ASP 67 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3dza h ASP 67 Cb 0.00 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3dza h ASP 67 CO 0.00 0.07 -0.04 0.40 -1.72 0.00 0.00 179.24 177.95 3dza h ILE 68 N 0.28 0.88 -0.29 0.35 2.04 -1.53 0.36 117.51 119.59 3dza h ILE 68 Ca 0.24 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.16 3dza h ILE 68 Cb 0.29 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3dza h ILE 68 CO -0.28 0.00 -0.16 -0.61 0.00 0.00 0.00 178.15 177.10 3dza h GLN 69 N -0.04 -0.12 -0.24 2.37 4.15 -1.78 -1.58 115.11 117.87 3dza h GLN 69 Ca 0.04 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3dza h GLN 69 Cb 0.10 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3dza h GLN 69 CO -0.09 -0.08 -0.18 0.74 -1.93 0.00 0.00 178.83 177.29 3dza h PHE 70 N -0.12 0.46 -0.43 3.99 -1.00 -0.83 -2.37 116.94 116.63 3dza h PHE 70 Ca 0.15 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 3dza h PHE 70 Cb 0.35 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 3dza h PHE 70 CO -0.35 0.58 0.27 0.00 -1.61 0.00 0.00 178.31 177.20 3dza h ALA 71 N 1.43 0.55 -0.61 2.45 0.00 -0.37 0.23 119.26 122.94 3dza h ALA 71 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dza h ALA 71 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dza h ALA 71 CO 0.04 0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.59 3dza h ARG 72 N 0.58 0.89 0.02 0.00 3.08 -1.06 -1.06 114.38 116.83 3dza h ARG 72 Ca 0.16 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3dza h ARG 72 Cb -0.02 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3dza h ARG 72 CO -0.03 0.73 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.38 3dza h LEU 73 N 0.84 -0.44 -0.62 3.04 3.38 -1.16 -2.95 115.31 117.39 3dza h LEU 73 Ca 0.21 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.34 3dza h LEU 73 Cb 0.15 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3dza h LEU 73 CO -0.02 -0.22 0.23 0.00 0.09 0.00 0.00 178.44 178.53 3dza h ALA 74 N 0.66 0.81 -0.36 1.53 0.00 -0.05 -1.96 119.26 119.89 3dza h ALA 74 Ca 0.05 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3dza h ALA 74 Cb 0.32 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3dza h ALA 74 CO -0.14 -0.19 -0.01 -0.07 0.00 0.00 0.00 179.25 178.85 3dza h LEU 75 N 0.41 -0.16 0.00 0.00 3.38 -1.10 -0.03 115.31 117.82 3dza h LEU 75 Ca 0.32 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3dza h LEU 75 Cb 0.39 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dza h LEU 75 CO -0.31 -0.04 0.00 0.49 0.09 0.00 0.00 178.44 178.66 3dza n PHE 76 N -5.19 0.00 -0.36 1.13 3.72 -0.84 -1.49 117.46 114.43 3dza n PHE 76 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 3dza n PHE 76 Cb 0.19 -0.16 0.32 0.00 -0.94 0.00 0.00 39.48 38.89 3dza n PHE 76 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3dza n HIS 77 N -1.16 1.31 -3.62 1.38 8.25 -0.67 -4.97 115.22 115.74 3dza n HIS 77 Ca 0.18 -0.53 -0.23 0.00 -0.26 0.00 0.00 57.72 56.87 3dza n HIS 77 Cb 0.18 -0.21 0.07 0.00 1.12 0.00 0.00 29.99 31.16 3dza n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dza n GLY 78 N 1.12 -0.49 2.61 -1.41 0.00 -0.55 -4.96 105.19 101.50 3dza n GLY 78 Ca 0.23 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 3dza n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dza n GLN 79 N -4.76 2.75 0.22 1.61 6.02 -0.11 -4.91 117.38 118.19 3dza n GLN 79 Ca -0.06 -4.70 0.06 0.00 -0.01 0.00 0.00 57.00 52.29 3dza n GLN 79 Cb 0.58 -2.22 0.49 0.00 1.02 0.00 0.00 30.24 30.11 3dza n GLN 79 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dza h PRO 80 N 3.68 0.00 -0.49 -1.09 0.13 -1.87 -1.56 132.00 130.80 3dza h PRO 80 Ca 0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 3dza h PRO 80 Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3dza h PRO 80 CO 0.82 0.26 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.40 3dza h ASP 81 N 0.00 0.86 -0.42 1.44 3.32 -1.96 -1.41 116.42 118.25 3dza h ASP 81 Ca -0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 3dza h ASP 81 Cb 0.50 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3dza h ASP 81 CO 0.03 0.96 0.26 -1.28 -1.72 0.00 0.00 179.24 177.49 3dza h SER 82 N 0.73 0.50 -0.93 6.45 0.87 -1.87 -1.99 113.55 117.30 3dza h SER 82 Ca 0.14 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3dza h SER 82 Cb 0.52 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 3dza h SER 82 CO 0.03 0.40 0.59 0.00 -0.53 0.00 0.00 176.83 177.32 3dza h ALA 83 N 1.12 1.30 -0.22 6.23 0.00 -1.00 -0.60 119.26 126.10 3dza h ALA 83 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dza h ALA 83 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dza h ALA 83 CO -0.03 0.35 0.11 -0.22 0.00 0.00 0.00 179.25 179.46 3dza h LYS 84 N 1.06 0.31 -0.94 0.00 3.64 -1.04 -0.64 116.57 118.96 3dza h LYS 84 Ca 0.41 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 3dza h LYS 84 Cb 0.19 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3dza h LYS 84 CO -0.18 0.31 0.62 0.87 -2.27 0.00 0.00 179.45 178.80 3dza h LYS 85 N 0.23 1.21 -0.17 1.90 1.57 -0.81 0.63 116.57 121.13 3dza h LYS 85 Ca 0.07 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3dza h LYS 85 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3dza h LYS 85 CO -0.01 0.80 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.45 3dza h LEU 86 N 1.25 0.43 -0.62 2.94 3.38 -0.98 -1.66 115.31 120.05 3dza h LEU 86 Ca 0.35 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3dza h LEU 86 Cb -0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dza h LEU 86 CO -0.09 0.81 -0.29 0.74 0.09 0.00 0.00 178.44 179.71 3dza h THR 87 N 0.06 1.28 -0.68 0.22 2.02 -0.93 -0.96 112.91 113.91 3dza h THR 87 Ca 0.03 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.72 3dza h THR 87 Cb 0.68 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3dza h THR 87 CO 0.04 0.47 0.17 0.44 0.37 0.00 0.00 175.52 177.01 3dza h ASP 88 N 0.67 1.01 -0.55 4.18 3.32 -0.86 -1.13 116.42 123.06 3dza h ASP 88 Ca 0.08 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3dza h ASP 88 Cb 0.82 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3dza h ASP 88 CO 0.07 0.96 0.25 -0.78 -1.72 0.00 0.00 179.24 178.02 3dza h ASP 89 N 1.02 0.73 -0.77 6.45 3.58 -1.02 -0.59 116.42 125.81 3dza h ASP 89 Ca 0.21 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.54 3dza h ASP 89 Cb 0.35 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 3dza h ASP 89 CO -0.00 0.67 0.50 0.00 -2.88 0.00 0.00 179.24 177.53 3dza h ALA 90 N 1.09 1.00 -0.17 -0.78 0.00 -0.88 -0.33 119.26 119.18 3dza h ALA 90 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dza h ALA 90 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dza h ALA 90 CO -0.02 0.34 0.11 0.00 0.00 0.00 0.00 179.25 179.68 3dza h ALA 91 N 1.31 0.22 -0.43 0.00 0.00 -0.89 -0.73 119.26 118.73 3dza h ALA 91 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3dza h ALA 91 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dza h ALA 91 CO -0.09 -0.30 0.28 0.00 0.00 0.00 0.00 179.25 179.14 3dza h ALA 92 N 1.06 0.54 -0.15 0.00 0.00 -0.64 -0.02 119.26 120.05 3dza h ALA 92 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dza h ALA 92 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dza h ALA 92 CO -0.01 -0.01 0.08 -0.07 0.00 0.00 0.00 179.25 179.24 3dza h LEU 93 N 0.58 0.20 -1.81 0.00 3.38 -0.74 -2.90 115.31 114.01 3dza h LEU 93 Ca 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3dza h LEU 93 Cb -0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dza h LEU 93 CO -0.03 0.24 -0.14 -0.07 0.09 0.00 0.00 178.44 178.53 3dza h LEU 94 N 0.14 0.00 -0.15 1.67 3.38 -0.97 -2.85 115.31 116.53 3dza h LEU 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dza h LEU 94 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dza h LEU 94 CO -0.01 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3dza n ALA 95 N -2.29 1.84 -1.53 1.53 0.00 -0.03 -4.81 120.51 115.20 3dza n ALA 95 Ca -0.02 -0.03 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 3dza n ALA 95 Cb 0.26 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3dza n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dza n ALA 96 N -1.58 -0.94 -1.32 0.00 0.00 -1.08 -4.85 120.51 110.75 3dza n ALA 96 Ca 0.04 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 3dza n ALA 96 Cb 0.23 -1.90 0.08 0.00 0.00 0.00 0.00 19.45 17.86 3dza n ALA 96 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dza s ASP 97 N -0.70 4.62 0.27 0.00 1.47 -1.26 -4.83 116.67 116.23 3dza s ASP 97 Ca 0.60 1.91 -0.00 0.00 1.18 0.00 0.00 52.55 56.24 3dza s ASP 97 Cb -0.74 -2.53 0.48 0.00 -0.34 0.00 0.00 42.92 39.79 3dza s ASP 97 CO 0.59 -1.96 1.86 0.44 0.68 0.00 0.00 175.17 176.78 3dza h ASP 98 N -0.77 0.99 -0.77 2.11 3.32 -1.94 -0.50 116.42 118.86 3dza h ASP 98 Ca -0.45 0.03 0.12 0.00 0.02 0.00 0.00 57.03 56.76 3dza h ASP 98 Cb 1.24 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 3dza h ASP 98 CO 0.52 0.58 0.51 0.00 -1.72 0.00 0.00 179.24 179.12 3dza h ALA 99 N 1.50 1.93 -0.01 3.45 0.00 -2.00 -1.58 119.26 122.55 3dza h ALA 99 Ca 0.47 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 3dza h ALA 99 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dza h ALA 99 CO -0.22 -0.11 -0.65 0.66 0.00 0.00 0.00 179.25 178.92 3dza h SER 100 N 0.57 0.04 1.90 0.00 4.64 -1.43 -3.00 113.55 116.27 3dza h SER 100 Ca 0.37 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 3dza h SER 100 Cb 0.64 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3dza h SER 100 CO -0.14 0.68 -0.10 -0.50 -0.87 0.00 0.00 176.83 175.90 3dza h TRP 101 N 0.02 0.00 -0.91 4.77 4.06 -1.17 -3.38 115.95 119.34 3dza h TRP 101 Ca -0.01 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.07 3dza h TRP 101 Cb 1.16 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.23 3dza h TRP 101 CO 0.00 0.10 0.53 0.00 -3.56 0.00 0.00 178.44 175.51 3dza h ALA 102 N 1.90 1.36 0.00 1.49 0.00 -1.18 -0.49 119.26 122.34 3dza h ALA 102 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dza h ALA 102 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3dza h ALA 102 CO 0.01 0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.69 3dza n LYS 103 N -4.74 0.07 -0.01 0.00 2.85 -1.26 -2.18 118.16 112.88 3dza n LYS 103 Ca 0.17 0.29 0.10 0.00 -1.05 0.00 0.00 58.31 57.82 3dza n LYS 103 Cb 0.38 -1.62 0.09 0.00 -0.65 0.00 0.00 35.03 33.23 3dza n LYS 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3dza n PHE 104 N -1.74 0.02 -2.47 5.58 3.72 -0.21 -4.96 117.46 117.39 3dza n PHE 104 Ca 0.03 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3dza n PHE 104 Cb 0.20 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3dza n PHE 104 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dza s VAL 105 N -1.67 4.24 -0.97 -4.37 1.01 -0.93 -0.98 120.40 116.72 3dza s VAL 105 Ca 0.24 1.59 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 3dza s VAL 105 Cb 0.17 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.58 3dza s VAL 105 CO 0.25 0.06 1.42 -0.75 0.00 0.00 0.00 175.10 176.08 3dza s LYS 106 N 1.63 3.52 0.43 2.72 2.20 0.67 -4.84 119.74 126.06 3dza s LYS 106 Ca 0.56 -0.98 0.18 0.00 -0.36 0.00 0.00 55.97 55.38 3dza s LYS 106 Cb -0.26 -5.16 0.96 0.00 -1.51 0.00 0.00 37.83 31.86 3dza s LYS 106 CO 0.25 -2.20 1.90 1.79 -0.36 0.00 0.00 175.35 176.74 3dza h THR 107 N 6.66 0.98 -0.67 3.43 1.35 -1.93 -2.27 112.91 120.47 3dza h THR 107 Ca 0.12 -1.02 -0.13 0.00 -0.55 0.00 0.00 66.41 64.83 3dza h THR 107 Cb 1.02 1.59 -0.08 0.00 -1.73 0.00 0.00 68.15 68.94 3dza h THR 107 CO 1.40 0.27 0.16 -0.90 -0.25 0.00 0.00 175.52 176.20 3dza n ASP 108 N -3.90 5.15 -4.67 5.36 5.75 -1.26 -5.00 116.55 117.98 3dza n ASP 108 Ca -0.02 -3.12 -0.48 0.00 -0.01 0.00 0.00 54.79 51.17 3dza n ASP 108 Cb 0.35 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 3dza n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dza n ALA 109 N 0.11 0.97 -0.07 2.12 0.00 -0.85 -4.90 120.51 117.89 3dza n ALA 109 Ca 0.36 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 54.09 3dza n ALA 109 Cb 1.31 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 3dza n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dza n LYS 110 N 4.33 0.67 -3.54 0.00 4.01 -1.26 -4.73 118.16 117.65 3dza n LYS 110 Ca 0.19 0.14 -0.39 0.00 -0.51 0.00 0.00 58.31 57.73 3dza n LYS 110 Cb 0.28 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 33.12 3dza n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3dza s ALA 111 N -2.54 4.31 0.00 7.82 0.00 -1.26 -5.20 121.76 124.89 3dza s ALA 111 Ca -0.12 -3.75 0.00 0.00 0.00 0.00 0.00 51.96 48.09 3dza s ALA 111 Cb 0.07 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3dza s ALA 111 CO 0.80 -2.17 0.00 1.63 0.00 0.00 0.00 175.76 176.02 3dza n LYS 112 N 2.66 1.62 -0.82 0.00 5.02 -1.26 -4.97 118.16 120.40 3dza n LYS 112 Ca 0.20 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 3dza n LYS 112 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.41 3dza n LYS 112 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3dza n ILE 114 N -0.66 0.00 -2.10 -0.18 2.08 -1.26 -5.11 119.36 112.13 3dza n ILE 114 Ca 0.00 -0.36 -0.41 0.00 0.56 0.00 0.00 62.75 62.54 3dza n ILE 114 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 3dza n ILE 114 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dza s ALA 115 N -1.44 2.67 0.28 -1.39 0.00 -1.26 -4.88 121.76 115.74 3dza s ALA 115 Ca 0.36 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 3dza s ALA 115 Cb -0.26 -4.10 0.02 0.00 0.00 0.00 0.00 23.12 18.78 3dza s ALA 115 CO 0.53 -3.01 0.72 0.34 0.00 0.00 0.00 175.76 174.34 3dza s ASP 116 N 6.22 -0.25 -0.31 0.00 -1.08 -1.26 -5.00 116.67 114.99 3dza s ASP 116 Ca 0.70 -0.63 -0.22 0.00 -0.52 0.00 0.00 52.55 51.88 3dza s ASP 116 Cb -0.17 0.73 -0.00 0.00 -1.46 0.00 0.00 42.92 42.02 3dza s ASP 116 CO 0.29 -1.36 0.73 -0.13 0.52 0.00 0.00 175.17 175.22 3dza s ARG 117 N -3.87 3.91 -0.27 4.34 1.81 -1.26 -4.97 118.95 118.64 3dza s ARG 117 Ca 0.11 0.45 -0.16 0.00 -1.72 0.00 0.00 55.73 54.41 3dza s ARG 117 Cb -0.06 -3.74 -0.03 0.00 -0.45 0.00 0.00 34.95 30.67 3dza s ARG 117 CO 0.07 -0.66 0.45 0.71 -0.68 0.00 0.00 175.30 175.19 3dza s TYR 118 N 2.85 3.25 -0.11 -0.53 1.51 -1.26 -1.08 117.35 121.98 3dza s TYR 118 Ca 0.30 0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 56.72 3dza s TYR 118 Cb -0.14 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3dza s TYR 118 CO 0.13 -0.27 0.32 0.08 -1.11 0.00 0.00 175.55 174.70 3dza s VAL 119 N 2.20 5.25 -0.57 0.71 1.01 -1.26 -0.24 120.40 127.50 3dza s VAL 119 Ca 0.18 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 3dza s VAL 119 Cb -0.16 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3dza s VAL 119 CO 0.10 0.45 1.49 -0.63 0.00 0.00 0.00 175.10 176.51 3dza s ILE 120 N -0.05 3.70 -0.46 2.22 1.01 -0.16 -4.22 121.20 123.24 3dza s ILE 120 Ca 0.19 0.57 0.21 0.00 0.00 0.00 0.00 60.65 61.62 3dza s ILE 120 Cb -0.14 -4.36 -0.28 0.00 0.01 0.00 0.00 42.46 37.69 3dza s ILE 120 CO 0.07 -1.14 0.65 2.30 0.00 0.00 0.00 174.94 176.82 3dza n ILE 121 N 6.90 0.00 -3.55 2.92 -5.35 -0.43 -0.71 119.36 119.15 3dza n ILE 121 Ca 0.13 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 3dza n ILE 121 Cb 0.49 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 3dza n ILE 121 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dza s ASN 122 N -3.76 -0.44 0.02 7.28 3.84 -1.20 -3.52 114.94 117.16 3dza s ASN 122 Ca -0.01 -0.18 -0.27 0.00 0.21 0.00 0.00 52.86 52.60 3dza s ASN 122 Cb 0.15 0.59 0.08 0.00 -0.55 0.00 0.00 41.25 41.52 3dza s ASN 122 CO 0.87 -1.00 0.73 0.00 -2.79 0.00 0.00 177.10 174.91 3dza s ALA 123 N -3.79 -1.74 0.14 1.71 0.00 -1.26 -1.41 121.76 115.41 3dza s ALA 123 Ca 0.03 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 3dza s ALA 123 Cb -0.01 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3dza s ALA 123 CO -0.09 -0.57 0.36 -1.54 0.00 0.00 0.00 175.76 173.91 3dza s SER 124 N -2.01 -0.12 0.00 0.00 1.04 -0.10 -4.96 113.70 107.55 3dza s SER 124 Ca -0.02 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 3dza s SER 124 Cb -0.01 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3dza s SER 124 CO -0.03 -0.87 0.93 -0.63 0.98 0.00 0.00 173.24 173.62 3dza s ILE 125 N -3.85 4.86 -0.20 -1.02 -1.09 -1.26 0.63 121.20 119.27 3dza s ILE 125 Ca 0.07 1.95 -0.06 0.00 -2.23 0.00 0.00 60.65 60.38 3dza s ILE 125 Cb 0.02 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 3dza s ILE 125 CO -0.08 0.20 0.02 0.00 -1.23 0.00 0.00 174.94 173.85 3dza s ALA 126 N 0.85 3.14 -0.01 9.38 0.00 0.29 -4.85 121.76 130.56 3dza s ALA 126 Ca 0.49 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3dza s ALA 126 Cb -0.21 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3dza s ALA 126 CO 0.26 -0.09 -0.06 -1.17 0.00 0.00 0.00 175.76 174.71 3dza s LEU 127 N 0.89 1.89 -0.03 0.00 0.20 -1.26 -1.12 118.68 119.24 3dza s LEU 127 Ca 0.02 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.73 3dza s LEU 127 Cb -0.14 -0.33 0.03 0.00 -0.43 0.00 0.00 46.19 45.32 3dza s LEU 127 CO 0.02 0.05 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.58 3dza s SER 128 N 0.04 0.50 0.32 3.68 0.15 -0.04 -5.00 113.70 113.34 3dza s SER 128 Ca -0.00 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 3dza s SER 128 Cb -0.04 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 3dza s SER 128 CO -0.00 -0.10 0.46 -1.83 1.20 0.00 0.00 173.24 172.98 3dza s GLU 129 N 1.01 1.82 0.00 5.44 -1.05 -1.26 -0.34 118.70 124.32 3dza s GLU 129 Ca -0.10 -1.66 0.26 0.00 -0.15 0.00 0.00 54.97 53.32 3dza s GLU 129 Cb -0.14 0.44 0.71 0.00 -0.44 0.00 0.00 34.13 34.70 3dza s GLU 129 CO -0.01 -0.75 1.54 -0.40 0.95 0.00 0.00 175.26 176.58 3dza n ASP 130 N -1.17 1.10 -0.76 0.83 5.68 -1.26 -4.95 116.55 116.02 3dza n ASP 130 Ca 0.00 -0.94 -0.10 0.00 -0.50 0.00 0.00 54.79 53.25 3dza n ASP 130 Cb 0.62 0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.71 3dza n ASP 130 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3dza n TYR 131 N -0.59 0.00 -3.56 2.11 4.01 -1.26 -4.97 117.16 112.90 3dza n TYR 131 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 3dza n TYR 131 Cb 0.36 -2.56 -0.11 0.00 -0.31 0.00 0.00 39.34 36.72 3dza n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3dza s VAL 132 N -1.92 5.29 0.19 -0.72 1.01 -1.26 -5.07 120.40 117.92 3dza s VAL 132 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3dza s VAL 132 Cb 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 3dza s VAL 132 CO 0.00 0.21 1.24 0.00 0.00 0.00 0.00 175.10 176.55 3dza s ALA 133 N 1.80 3.47 0.07 5.51 0.00 -1.26 -5.01 121.76 126.34 3dza s ALA 133 Ca 0.08 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3dza s ALA 133 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3dza s ALA 133 CO 0.11 -0.44 -0.06 0.95 0.00 0.00 0.00 175.76 176.32 3dza s THR 134 N -0.00 0.50 0.40 0.00 -4.23 -1.26 -5.04 115.64 106.00 3dza s THR 134 Ca 0.54 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 3dza s THR 134 Cb -0.34 -1.32 0.24 0.00 1.34 0.00 0.00 72.50 72.42 3dza s THR 134 CO 0.37 -0.78 2.02 1.55 -0.54 0.00 0.00 174.62 177.25 3dza h PRO 135 N 3.45 0.52 -0.58 3.99 0.13 -1.99 -0.44 132.00 137.08 3dza h PRO 135 Ca -0.35 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3dza h PRO 135 Cb 1.17 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3dza h PRO 135 CO 0.58 0.39 0.35 1.49 -0.23 0.00 0.00 178.00 180.59 3dza h GLU 136 N 0.53 0.79 -0.40 0.86 4.81 -1.99 -1.08 114.58 118.09 3dza h GLU 136 Ca 0.14 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3dza h GLU 136 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3dza h GLU 136 CO -0.02 0.57 -0.02 0.87 -0.73 0.00 0.00 179.01 179.67 3dza h LYS 137 N 0.78 0.73 -0.73 1.92 1.57 -1.71 0.01 116.57 119.14 3dza h LYS 137 Ca 0.21 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3dza h LYS 137 Cb -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3dza h LYS 137 CO -0.04 0.83 0.47 0.93 -0.57 0.00 0.00 179.45 181.07 3dza h GLU 138 N 0.55 0.91 -0.56 3.15 5.08 -0.96 0.12 114.58 122.87 3dza h GLU 138 Ca 0.11 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3dza h GLU 138 Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3dza h GLU 138 CO 0.03 0.60 -0.05 0.77 -1.00 0.00 0.00 179.01 179.36 3dza h SER 139 N 0.94 1.01 -0.72 1.42 0.02 -1.03 -1.62 113.55 113.57 3dza h SER 139 Ca 0.28 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3dza h SER 139 Cb -0.04 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3dza h SER 139 CO -0.09 1.10 0.35 0.00 -1.14 0.00 0.00 176.83 177.06 3dza h ALA 140 N 0.95 0.93 -0.33 3.77 0.00 -0.36 -0.53 119.26 123.68 3dza h ALA 140 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dza h ALA 140 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dza h ALA 140 CO 0.04 0.49 0.03 0.82 0.00 0.00 0.00 179.25 180.63 3dza h ILE 141 N 1.01 1.25 -0.52 0.00 2.04 -0.53 0.59 117.51 121.36 3dza h ILE 141 Ca 0.25 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3dza h ILE 141 Cb 0.11 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3dza h ILE 141 CO -0.03 0.29 0.28 -0.61 0.00 0.00 0.00 178.15 178.08 3dza h GLN 142 N 0.39 0.53 -0.24 2.37 4.15 -1.07 0.62 115.11 121.87 3dza h GLN 142 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3dza h GLN 142 Cb 0.40 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3dza h GLN 142 CO 0.01 0.35 0.07 1.03 -1.93 0.00 0.00 178.83 178.37 3dza h SER 143 N 0.55 0.35 -0.83 -0.69 0.87 -0.89 -2.26 113.55 110.65 3dza h SER 143 Ca 0.22 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3dza h SER 143 Cb 0.10 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 3dza h SER 143 CO -0.13 0.46 0.46 0.00 -0.53 0.00 0.00 176.83 177.09 3dza h ALA 144 N 0.90 1.25 -0.51 6.23 0.00 -0.61 -0.92 119.26 125.59 3dza h ALA 144 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dza h ALA 144 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dza h ALA 144 CO -0.00 0.62 0.32 -0.91 0.00 0.00 0.00 179.25 179.27 3dza h ASN 145 N 1.16 0.61 -0.48 0.00 2.35 -0.70 0.19 115.58 118.71 3dza h ASN 145 Ca 0.30 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3dza h ASN 145 Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3dza h ASN 145 CO -0.05 0.48 0.23 -0.08 -1.65 0.00 0.00 177.43 176.35 3dza h GLU 146 N 0.69 0.70 -0.61 0.81 4.81 -1.04 -1.19 114.58 118.75 3dza h GLU 146 Ca 0.19 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3dza h GLU 146 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3dza h GLU 146 CO -0.04 0.59 0.21 0.87 -0.73 0.00 0.00 179.01 179.91 3dza h LYS 147 N 0.64 0.94 -0.72 1.92 1.57 -0.75 -2.22 116.57 117.94 3dza h LYS 147 Ca 0.17 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3dza h LYS 147 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3dza h LYS 147 CO -0.02 0.83 0.38 -0.07 -0.57 0.00 0.00 179.45 180.00 3dza h LEU 148 N 0.87 0.91 -1.89 2.94 3.38 -0.85 0.81 115.31 121.48 3dza h LEU 148 Ca 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dza h LEU 148 Cb 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dza h LEU 148 CO -0.01 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.28 3dza h ALA 149 N 1.19 1.91 -0.39 1.53 0.00 -0.88 -2.53 119.26 120.10 3dza h ALA 149 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dza h ALA 149 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dza h ALA 149 CO -0.04 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3dza n LYS 150 N -4.50 2.41 -0.96 0.00 5.02 -0.87 -4.98 118.16 114.30 3dza n LYS 150 Ca -0.02 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 3dza n LYS 150 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3dza n LYS 150 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dza n GLY 151 N 1.34 0.45 3.13 0.72 0.00 -0.58 -4.97 105.19 105.28 3dza n GLY 151 Ca 0.18 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 3dza n GLY 151 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dza n ASP 152 N 1.14 5.71 0.06 1.61 2.03 0.18 -4.80 116.55 122.48 3dza n ASP 152 Ca 0.00 -3.19 -0.12 0.00 0.52 0.00 0.00 54.79 52.00 3dza n ASP 152 Cb 0.00 -1.39 -0.07 0.00 -0.72 0.00 0.00 41.12 38.94 3dza n ASP 152 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3dza h GLN 153 N 6.07 -0.10 -0.58 -0.67 4.15 -1.92 -1.04 115.11 121.02 3dza h GLN 153 Ca 0.26 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.74 3dza h GLN 153 Cb 0.72 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 3dza h GLN 153 CO 1.31 -0.06 0.30 -0.22 -1.93 0.00 0.00 178.83 178.23 3dza h LYS 154 N -0.10 0.54 -0.72 1.69 3.64 -1.97 -1.10 116.57 118.56 3dza h LYS 154 Ca 0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3dza h LYS 154 Cb 0.10 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3dza h LYS 154 CO -0.02 0.36 0.18 0.78 -2.27 0.00 0.00 179.45 178.48 3dza h GLY 155 N 0.56 1.24 1.00 5.01 0.00 -1.91 -0.61 103.07 108.36 3dza h GLY 155 Ca 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3dza h GLY 155 CO -0.19 0.72 -0.11 0.00 0.00 0.00 0.00 176.54 176.96 3dza h ALA 156 N 1.10 -0.32 -0.57 3.60 0.00 -0.66 -1.25 119.26 121.16 3dza h ALA 156 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dza h ALA 156 Cb 0.37 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dza h ALA 156 CO 0.00 -0.68 0.23 0.82 0.00 0.00 0.00 179.25 179.63 3dza h ILE 157 N -0.32 1.22 -0.48 0.00 1.08 -1.03 -1.27 117.51 116.72 3dza h ILE 157 Ca -0.03 -0.68 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3dza h ILE 157 Cb 0.24 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 3dza h ILE 157 CO 0.05 0.26 0.31 0.44 -0.69 0.00 0.00 178.15 178.52 3dza h ASP 158 N 0.77 0.53 -0.43 1.72 3.32 -1.08 0.94 116.42 122.20 3dza h ASP 158 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3dza h ASP 158 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3dza h ASP 158 CO -0.02 0.38 0.27 0.74 -1.72 0.00 0.00 179.24 178.90 3dza h THR 159 N 0.63 1.12 -0.10 0.35 2.02 -1.03 -0.41 112.91 115.49 3dza h THR 159 Ca 0.18 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3dza h THR 159 Cb -0.05 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3dza h THR 159 CO -0.05 0.12 0.04 -0.07 0.37 0.00 0.00 175.52 175.93 3dza h LEU 160 N 0.57 0.14 -0.59 2.58 3.38 -1.04 -2.98 115.31 117.38 3dza h LEU 160 Ca 0.15 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3dza h LEU 160 Cb -0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3dza h LEU 160 CO -0.03 0.27 0.20 -0.09 0.09 0.00 0.00 178.44 178.88 3dza h ARG 161 N 0.00 0.35 0.00 1.13 2.43 -0.43 -0.87 114.38 116.99 3dza h ARG 161 Ca 0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3dza h ARG 161 Cb 0.18 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3dza h ARG 161 CO -0.00 0.23 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.51 3dza h LEU 162 N 0.36 0.00 -0.81 3.80 3.38 -1.05 -1.16 115.31 119.84 3dza h LEU 162 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dza h LEU 162 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dza h LEU 162 CO -0.32 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.31 3dza n ALA 163 N -2.21 2.59 -0.81 1.53 0.00 -0.71 -4.94 120.51 115.96 3dza n ALA 163 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3dza n ALA 163 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3dza n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dza n GLY 164 N 1.13 0.74 3.19 0.00 0.00 -0.44 -4.80 105.19 105.02 3dza n GLY 164 Ca 0.19 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3dza n GLY 164 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dza s ILE 165 N -2.00 3.24 -0.09 -0.61 1.01 -0.42 -4.49 121.20 117.84 3dza s ILE 165 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 3dza s ILE 165 Cb 0.00 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3dza s ILE 165 CO 0.00 -0.24 0.26 -0.83 0.00 0.00 0.00 174.94 174.13 3dza s GLY 166 N 1.40 2.27 -0.15 6.18 0.00 0.54 -2.38 107.32 115.19 3dza s GLY 166 Ca -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 3dza s GLY 166 CO -0.01 -0.02 0.30 0.14 0.00 0.00 0.00 173.10 173.52 3dza s VAL 167 N -0.66 -0.45 0.34 1.40 1.01 -1.26 -0.87 120.40 119.91 3dza s VAL 167 Ca 0.18 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.47 3dza s VAL 167 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3dza s VAL 167 CO 0.07 0.10 0.25 0.27 0.00 0.00 0.00 175.10 175.79 3dza s ILE 168 N 2.41 0.09 -0.17 2.22 -4.36 -0.28 -4.59 121.20 116.52 3dza s ILE 168 Ca -0.00 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3dza s ILE 168 Cb -0.12 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 3dza s ILE 168 CO -0.10 0.00 -0.03 -0.70 0.24 0.00 0.00 174.94 174.35 3dza s GLU 169 N -3.50 3.64 0.14 0.37 2.12 -0.21 -0.54 118.70 120.72 3dza s GLU 169 Ca 0.38 -0.53 -0.23 0.00 0.36 0.00 0.00 54.97 54.95 3dza s GLU 169 Cb 0.02 -2.95 -0.08 0.00 0.26 0.00 0.00 34.13 31.38 3dza s GLU 169 CO 0.25 0.17 0.70 -0.80 -0.54 0.00 0.00 175.26 175.03 3dza s ASN 170 N 0.57 7.24 0.04 -1.70 0.01 0.21 -1.14 114.94 120.16 3dza s ASN 170 Ca -0.02 1.48 0.06 0.00 -0.71 0.00 0.00 52.86 53.67 3dza s ASN 170 Cb -0.14 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 3dza s ASN 170 CO 0.02 0.22 -0.18 -1.10 -1.51 0.00 0.00 177.10 174.55 3dza s GLN 171 N -1.22 1.20 -0.20 -0.60 -0.21 0.58 -0.92 119.66 118.28 3dza s GLN 171 Ca 0.34 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.89 3dza s GLN 171 Cb -0.21 -1.26 0.03 0.00 1.00 0.00 0.00 33.01 32.57 3dza s GLN 171 CO 0.23 0.32 -0.17 0.71 -2.12 0.00 0.00 175.29 174.26 3dza s TYR 172 N -0.79 2.93 0.50 0.91 1.51 -0.50 -0.84 117.35 121.07 3dza s TYR 172 Ca 0.05 -1.83 0.04 0.00 -1.01 0.00 0.00 57.07 54.31 3dza s TYR 172 Cb -0.08 -1.93 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3dza s TYR 172 CO 0.01 -0.83 0.30 1.28 -1.11 0.00 0.00 175.55 175.21 3dza n LEU 173 N 4.57 0.00 -3.81 -1.29 4.77 0.78 -1.32 117.00 120.70 3dza n LEU 173 Ca -0.19 -2.70 -0.26 0.00 -0.03 0.00 0.00 56.01 52.82 3dza n LEU 173 Cb 0.48 0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.43 3dza n LEU 173 CO 0.25 -0.53 -0.40 -2.16 -1.33 0.00 0.00 177.39 173.22 3dza s PRO 175 N -4.01 0.97 0.02 3.23 0.04 -1.26 -0.60 135.00 133.40 3dza s PRO 175 Ca 0.23 -0.29 -0.26 0.00 0.04 0.00 0.00 61.00 60.72 3dza s PRO 175 Cb -0.02 -1.71 -0.17 0.00 0.04 0.00 0.00 34.50 32.65 3dza s PRO 175 CO 0.15 -0.44 1.32 1.25 0.04 0.00 0.00 177.00 179.32 3dza h LEU 176 N 8.22 -0.42 -0.25 -3.56 5.85 -1.48 -1.21 115.31 122.45 3dza h LEU 176 Ca -0.21 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3dza h LEU 176 Cb 1.12 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3dza h LEU 176 CO 0.34 -0.10 0.08 -1.13 -0.34 0.00 0.00 178.44 177.29 3dza h ASN 177 N -0.76 0.36 -0.33 1.25 -1.24 -1.97 -2.04 115.58 110.85 3dza h ASN 177 Ca -0.05 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.73 3dza h ASN 177 Cb 0.51 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 3dza h ASN 177 CO 0.08 0.46 0.12 -0.61 -1.29 0.00 0.00 177.43 176.20 3dza h GLN 178 N 0.25 0.57 -0.12 6.67 5.75 -1.94 -0.62 115.11 125.67 3dza h GLN 178 Ca 0.08 -0.09 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 3dza h GLN 178 Cb 0.23 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.69 3dza h GLN 178 CO -0.00 0.51 -0.85 1.15 -2.65 0.00 0.00 178.83 176.99 3dza h THR 179 N 0.57 1.28 -0.43 2.39 2.02 -1.10 -0.63 112.91 117.00 3dza h THR 179 Ca 0.14 -2.04 0.09 0.00 0.77 0.00 0.00 66.41 65.36 3dza h THR 179 Cb 0.18 2.08 -0.08 0.00 -1.74 0.00 0.00 68.15 68.58 3dza h THR 179 CO -0.01 0.64 -0.10 0.03 0.37 0.00 0.00 175.52 176.46 3dza h ARG 180 N 0.51 0.01 -0.05 6.66 3.08 -1.19 -0.74 114.38 122.66 3dza h ARG 180 Ca -0.07 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3dza h ARG 180 Cb 1.48 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 3dza h ARG 180 CO 0.17 0.01 -0.09 0.87 -1.07 0.00 0.00 179.97 179.86 3dza h LYS 181 N 0.01 -0.12 -0.57 0.04 1.57 -0.88 -1.52 116.57 115.10 3dza h LYS 181 Ca 0.21 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 3dza h LYS 181 Cb 0.31 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3dza h LYS 181 CO -0.44 -0.08 0.32 0.00 -0.57 0.00 0.00 179.45 178.68 3dza h ALA 182 N 0.90 0.74 -0.40 3.86 0.00 -0.79 -0.94 119.26 122.63 3dza h ALA 182 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dza h ALA 182 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dza h ALA 182 CO -0.13 0.01 0.08 0.28 0.00 0.00 0.00 179.25 179.49 3dza h VAL 183 N 0.62 1.24 -0.57 0.00 2.07 -0.91 -0.53 116.25 118.17 3dza h VAL 183 Ca 0.24 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3dza h VAL 183 Cb 0.10 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3dza h VAL 183 CO -0.14 0.29 0.35 0.00 0.02 0.00 0.00 177.57 178.09 3dza h ALA 184 N 0.93 0.74 -0.63 1.67 0.00 -0.97 0.23 119.26 121.23 3dza h ALA 184 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dza h ALA 184 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3dza h ALA 184 CO 0.01 0.07 0.37 0.37 0.00 0.00 0.00 179.25 180.06 3dza h GLN 185 N 0.68 0.87 -0.70 0.00 4.15 -0.99 -2.10 115.11 117.02 3dza h GLN 185 Ca 0.23 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.57 3dza h GLN 185 Cb 0.03 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 3dza h GLN 185 CO -0.10 0.64 0.46 0.66 -1.93 0.00 0.00 178.83 178.56 3dza h SER 186 N 0.86 0.80 -0.51 -0.69 4.64 -0.58 -1.53 113.55 116.54 3dza h SER 186 Ca 0.23 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.59 3dza h SER 186 Cb 0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.84 3dza h SER 186 CO -0.04 0.58 0.20 1.56 -0.87 0.00 0.00 176.83 178.25 3dza h GLN 187 N 0.95 0.37 -0.59 4.77 4.20 -0.47 -0.00 115.11 124.33 3dza h GLN 187 Ca 0.26 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 3dza h GLN 187 Cb -0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3dza h GLN 187 CO -0.06 0.25 0.17 0.93 -0.67 0.00 0.00 178.83 179.45 3dza h GLU 188 N 0.38 0.93 -0.57 1.46 4.39 -1.13 -1.14 114.58 118.90 3dza h GLU 188 Ca 0.24 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3dza h GLU 188 Cb 0.24 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3dza h GLU 188 CO -0.23 0.84 0.20 -0.07 -1.16 0.00 0.00 179.01 178.60 3dza h LEU 189 N 0.85 0.81 -0.73 1.33 3.38 -0.89 -1.99 115.31 118.07 3dza h LEU 189 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3dza h LEU 189 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3dza h LEU 189 CO -0.00 0.78 0.38 -0.07 0.09 0.00 0.00 178.44 179.62 3dza h LEU 190 N 0.79 0.93 -1.52 1.67 3.38 -0.77 -0.22 115.31 119.57 3dza h LEU 190 Ca 0.19 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3dza h LEU 190 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3dza h LEU 190 CO -0.01 0.77 0.37 0.11 0.09 0.00 0.00 178.44 179.77 3dza h LYS 191 N 1.01 0.60 -0.00 1.13 1.57 -0.85 -0.70 116.57 119.33 3dza h LYS 191 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3dza h LYS 191 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dza h LYS 191 CO -0.04 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 3dza n ALA 192 N -2.47 2.67 -1.06 3.86 0.00 -0.65 -4.90 120.51 117.97 3dza n ALA 192 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3dza n ALA 192 Cb 0.16 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 3dza n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dza n GLY 193 N 1.01 0.50 2.80 0.00 0.00 -0.27 -4.94 105.19 104.30 3dza n GLY 193 Ca 0.23 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dza n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dza n LYS 194 N -2.10 3.55 -0.05 1.61 5.02 -0.19 -4.80 118.16 121.20 3dza n LYS 194 Ca -0.02 -3.34 -0.11 0.00 -2.02 0.00 0.00 58.31 52.82 3dza n LYS 194 Cb 0.17 -2.97 -0.05 0.00 -0.02 0.00 0.00 35.03 32.16 3dza n LYS 194 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3dza h TYR 195 N 5.69 0.30 -0.35 2.13 0.05 -1.90 -0.82 116.97 122.06 3dza h TYR 195 Ca 0.45 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 59.21 3dza h TYR 195 Cb 0.60 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 3dza h TYR 195 CO 1.32 0.44 0.20 -0.92 -1.05 0.00 0.00 178.16 178.15 3dza h TYR 196 N 0.08 0.37 -0.39 4.88 3.20 -1.98 0.37 116.97 123.49 3dza h TYR 196 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3dza h TYR 196 Cb 0.30 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3dza h TYR 196 CO 0.02 0.21 0.21 0.93 -1.64 0.00 0.00 178.16 177.89 3dza h GLU 197 N 0.40 0.55 -0.41 1.82 3.07 -1.94 -1.59 114.58 116.48 3dza h GLU 197 Ca 0.14 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 59.00 3dza h GLU 197 Cb 0.02 -0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 27.77 3dza h GLU 197 CO -0.08 0.46 0.06 0.00 -1.40 0.00 0.00 179.01 178.05 3dza h ALA 198 N 1.07 0.43 -0.76 3.43 0.00 -0.82 -1.64 119.26 120.97 3dza h ALA 198 Ca 0.14 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.28 3dza h ALA 198 Cb 0.07 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3dza h ALA 198 CO -0.02 -0.34 0.30 -0.97 0.00 0.00 0.00 179.25 178.22 3dza h ASN 199 N 0.19 0.29 0.09 0.00 -1.24 -0.42 -0.79 115.58 113.69 3dza h ASN 199 Ca 0.20 0.11 -0.14 0.00 0.71 0.00 0.00 56.30 57.18 3dza h ASN 199 Cb 0.26 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3dza h ASN 199 CO -0.28 0.11 -0.49 -0.07 -1.29 0.00 0.00 177.43 175.41 3dza h LEU 200 N 0.45 0.50 -0.62 0.34 3.38 -0.55 0.10 115.31 118.91 3dza h LEU 200 Ca 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3dza h LEU 200 Cb 0.63 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3dza h LEU 200 CO -0.40 0.91 0.31 0.58 0.09 0.00 0.00 178.44 179.93 3dza h VAL 201 N 0.36 1.21 -0.47 1.22 2.07 -0.68 0.30 116.25 120.26 3dza h VAL 201 Ca 0.02 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3dza h VAL 201 Cb 0.99 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3dza h VAL 201 CO 0.09 0.23 0.15 -0.07 0.02 0.00 0.00 177.57 178.00 3dza h LEU 202 N 0.84 0.68 -0.60 2.57 3.38 -0.90 -1.14 115.31 120.13 3dza h LEU 202 Ca 0.21 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3dza h LEU 202 Cb 0.09 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3dza h LEU 202 CO -0.03 0.69 0.23 0.50 0.09 0.00 0.00 178.44 179.92 3dza h LYS 203 N 0.62 0.41 -0.60 1.13 3.64 -0.55 -0.55 116.57 120.66 3dza h LYS 203 Ca 0.15 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3dza h LYS 203 Cb 0.25 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3dza h LYS 203 CO -0.01 0.27 0.25 0.78 -2.27 0.00 0.00 179.45 178.47 3dza h GLY 204 N 0.42 0.86 1.03 5.01 0.00 -0.50 0.54 103.07 110.43 3dza h GLY 204 Ca 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3dza h GLY 204 CO -0.29 0.01 0.39 0.00 0.00 0.00 0.00 176.54 176.65 3dza h ALA 205 N 1.39 1.06 -0.78 3.60 0.00 -0.27 -1.31 119.26 122.95 3dza h ALA 205 Ca 0.30 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dza h ALA 205 Cb 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3dza h ALA 205 CO -0.28 0.63 0.30 0.93 0.00 0.00 0.00 179.25 180.84 3dza h GLU 206 N 1.17 1.18 0.00 0.00 5.08 -0.37 -2.55 114.58 119.09 3dza h GLU 206 Ca 0.28 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dza h GLU 206 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3dza h GLU 206 CO -0.04 0.96 0.00 0.93 -1.00 0.00 0.00 179.01 179.87 3dza h GLU 207 N 1.14 0.00 -0.00 2.33 5.08 -0.24 -2.67 114.58 120.22 3dza h GLU 207 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3dza h GLU 207 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3dza h GLU 207 CO -0.02 0.00 -0.15 0.41 -1.00 0.00 0.00 179.01 178.25 3dza n GLY 208 N -0.01 -1.19 3.67 -3.84 0.00 -0.56 -4.78 105.19 98.48 3dza n GLY 208 Ca 0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3dza n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dza s ILE 209 N -2.74 4.31 -0.11 -0.61 -1.09 -1.01 -4.51 121.20 115.44 3dza s ILE 209 Ca 0.21 1.60 -0.12 0.00 -2.23 0.00 0.00 60.65 60.11 3dza s ILE 209 Cb 0.19 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 3dza s ILE 209 CO 0.53 -0.09 0.28 -0.69 -1.23 0.00 0.00 174.94 173.74 3dza s VAL 210 N 3.02 5.29 -0.12 2.92 1.01 0.23 -4.85 120.40 127.90 3dza s VAL 210 Ca 0.54 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 3dza s VAL 210 Cb -0.22 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3dza s VAL 210 CO 0.17 0.49 0.31 -0.69 0.00 0.00 0.00 175.10 175.38 3dza s VAL 211 N -0.26 5.27 0.19 2.92 1.01 -1.26 -0.15 120.40 128.11 3dza s VAL 211 Ca 0.18 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 3dza s VAL 211 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3dza s VAL 211 CO 0.06 0.45 0.12 -0.62 0.00 0.00 0.00 175.10 175.11 3dza s ASP 212 N 0.00 0.23 0.06 3.32 -1.08 -0.02 -4.99 116.67 114.19 3dza s ASP 212 Ca 0.18 -1.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.90 3dza s ASP 212 Cb -0.14 0.36 -0.03 0.00 -1.46 0.00 0.00 42.92 41.65 3dza s ASP 212 CO 0.06 -0.82 -0.13 -0.44 0.52 0.00 0.00 175.17 174.36 3dza s SER 213 N -3.15 1.56 0.00 -0.34 0.01 -1.26 -0.31 113.70 110.21 3dza s SER 213 Ca 0.37 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3dza s SER 213 Cb 0.07 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3dza s SER 213 CO 0.11 -0.05 0.00 1.21 0.41 0.00 0.00 173.24 174.91 3dza n GLU 214 N 1.53 0.00 -0.07 12.44 2.13 -0.29 -4.95 120.64 131.43 3dza n GLU 214 Ca -0.20 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.54 3dza n GLU 214 Cb 0.54 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.16 3dza n GLU 214 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dza n LEU 216 N 0.00 0.79 0.00 4.31 4.77 -1.26 -1.04 117.00 124.57 3dza n LEU 216 Ca 0.00 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3dza n LEU 216 Cb 0.00 0.08 0.90 0.00 -2.33 0.00 0.00 43.42 42.08 3dza n LEU 216 CO 0.00 0.45 1.07 1.33 -1.33 0.00 0.00 177.39 178.90