#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dza s PRO 39 N 0.00 2.46 0.09 0.00 0.02 -1.26 -4.94 135.00 131.37 3dza s PRO 39 Ca 0.00 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 62.49 3dza s PRO 39 Cb 0.00 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 3dza s PRO 39 CO 0.00 -1.60 1.80 0.00 -0.33 0.00 0.00 177.00 176.87 3dza n ALA 40 N -2.30 1.76 -1.52 -1.55 0.00 -1.26 -5.00 120.51 110.65 3dza n ALA 40 Ca 0.14 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 3dza n ALA 40 Cb 0.50 -2.53 0.05 0.00 0.00 0.00 0.00 19.45 17.47 3dza n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dza s ALA 41 N 2.70 2.60 0.29 0.00 0.00 -1.26 -5.00 121.76 121.09 3dza s ALA 41 Ca 0.84 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 3dza s ALA 41 Cb -0.56 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 3dza s ALA 41 CO 0.40 -1.29 1.29 0.00 0.00 0.00 0.00 175.76 176.16 3dza s ALA 42 N -2.96 3.50 -0.41 0.00 0.00 -1.26 -4.93 121.76 115.71 3dza s ALA 42 Ca 0.59 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.82 3dza s ALA 42 Cb -0.15 -3.46 0.33 0.00 0.00 0.00 0.00 23.12 19.84 3dza s ALA 42 CO 0.53 -0.55 0.89 0.00 0.00 0.00 0.00 175.76 176.64 3dza n ALA 43 N 1.42 0.76 -0.13 0.00 0.00 -1.26 -5.04 120.51 116.26 3dza n ALA 43 Ca 0.02 -2.54 -0.09 0.00 0.00 0.00 0.00 53.44 50.83 3dza n ALA 43 Cb 0.42 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 3dza n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3dza h THR 44 N 1.91 1.20 -0.56 0.00 2.02 -1.99 -0.16 112.91 115.33 3dza h THR 44 Ca 0.01 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3dza h THR 44 Cb 1.02 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3dza h THR 44 CO 0.34 0.22 0.33 0.74 0.37 0.00 0.00 175.52 177.52 3dza h THR 45 N 0.48 1.17 -0.15 3.16 2.02 -1.99 0.39 112.91 117.98 3dza h THR 45 Ca 0.13 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3dza h THR 45 Cb 0.20 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3dza h THR 45 CO -0.01 0.18 0.01 -0.61 0.37 0.00 0.00 175.52 175.46 3dza h GLN 46 N 0.76 0.27 -0.33 6.66 4.15 -1.90 -1.34 115.11 123.37 3dza h GLN 46 Ca 0.20 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3dza h GLN 46 Cb -0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3dza h GLN 46 CO -0.04 0.47 0.20 0.28 -1.93 0.00 0.00 178.83 177.81 3dza h VAL 47 N 0.03 1.11 -0.68 2.39 2.07 -0.85 -1.24 116.25 119.08 3dza h VAL 47 Ca 0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3dza h VAL 47 Cb 0.34 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3dza h VAL 47 CO 0.01 0.11 0.36 1.56 0.02 0.00 0.00 177.57 179.62 3dza h GLN 48 N 0.43 0.95 0.07 1.57 4.20 -0.94 -1.96 115.11 119.43 3dza h GLN 48 Ca 0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dza h GLN 48 Cb 0.00 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3dza h GLN 48 CO -0.02 0.73 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.61 3dza h LYS 49 N 0.93 -0.09 -0.72 1.46 3.64 -0.99 0.21 116.57 121.02 3dza h LYS 49 Ca 0.24 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3dza h LYS 49 Cb 0.06 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3dza h LYS 49 CO -0.04 0.07 0.39 0.93 -2.27 0.00 0.00 179.45 178.53 3dza h GLU 50 N -0.23 1.00 -0.03 1.90 5.08 -1.19 0.21 114.58 121.32 3dza h GLU 50 Ca -0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3dza h GLU 50 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dza h GLU 50 CO 0.01 0.75 -0.00 0.00 -1.00 0.00 0.00 179.01 178.78 3dza h ALA 51 N 1.19 0.04 -0.66 3.43 0.00 -1.30 -2.91 119.26 119.06 3dza h ALA 51 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dza h ALA 51 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dza h ALA 51 CO -0.04 -0.28 0.33 0.00 0.00 0.00 0.00 179.25 179.26 3dza h ALA 52 N 0.67 1.33 -0.57 0.00 0.00 -0.39 -1.65 119.26 118.66 3dza h ALA 52 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dza h ALA 52 Cb 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3dza h ALA 52 CO 0.00 0.53 0.32 -0.44 0.00 0.00 0.00 179.25 179.66 3dza h ASP 53 N 0.93 0.49 1.33 0.00 3.32 -0.57 -0.83 116.42 121.08 3dza h ASP 53 Ca 0.23 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3dza h ASP 53 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dza h ASP 53 CO -0.03 0.34 -0.19 -0.37 -1.72 0.00 0.00 179.24 177.26 3dza h VAL 54 N 0.62 0.39 -0.01 -1.35 -1.51 -1.26 -2.81 116.25 110.33 3dza h VAL 54 Ca 0.24 -1.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 3dza h VAL 54 Cb 0.10 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3dza h VAL 54 CO -0.14 0.19 -0.04 0.18 -1.23 0.00 0.00 177.57 176.53 3dza n LEU 55 N -3.23 0.60 -3.65 4.19 4.77 -0.65 -4.94 117.00 114.08 3dza n LEU 55 Ca 0.02 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.61 3dza n LEU 55 Cb 0.50 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 3dza n LEU 55 CO 0.34 0.10 0.22 0.00 -1.33 0.00 0.00 177.39 176.72 3dza n GLN 56 N -0.66 -7.53 -4.84 3.23 1.13 -0.45 -5.01 117.38 103.27 3dza n GLN 56 Ca 0.19 0.79 -0.32 0.00 -1.94 0.00 0.00 57.00 55.72 3dza n GLN 56 Cb 0.24 -5.82 -0.17 0.00 0.11 0.00 0.00 30.24 24.61 3dza n GLN 56 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3dza s VAL 57 N -3.32 2.02 -1.18 5.09 1.01 -0.46 -4.83 120.40 118.73 3dza s VAL 57 Ca 0.58 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3dza s VAL 57 Cb -0.26 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.46 3dza s VAL 57 CO 0.75 0.55 1.49 0.00 0.00 0.00 0.00 175.10 177.89 3dza s ALA 58 N 0.67 3.59 0.56 5.51 0.00 0.45 -4.15 121.76 128.39 3dza s ALA 58 Ca -0.11 -3.05 0.26 0.00 0.00 0.00 0.00 51.96 49.06 3dza s ALA 58 Cb -0.16 -4.32 1.49 0.00 0.00 0.00 0.00 23.12 20.12 3dza s ALA 58 CO 0.02 -3.04 2.03 -0.24 0.00 0.00 0.00 175.76 174.52 3dza h VAL 59 N 5.29 0.62 -0.98 0.00 3.04 -1.86 0.34 116.25 122.70 3dza h VAL 59 Ca 0.33 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 66.14 3dza h VAL 59 Cb 0.90 0.78 -0.09 0.00 -2.01 0.00 0.00 31.29 30.87 3dza h VAL 59 CO 1.31 0.00 0.60 -0.61 -1.01 0.00 0.00 177.57 177.87 3dza h GLN 60 N 0.00 0.91 -0.23 4.17 5.75 -1.88 0.92 115.11 124.75 3dza h GLN 60 Ca 0.17 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3dza h GLN 60 Cb 0.77 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 3dza h GLN 60 CO -0.00 0.60 0.06 0.78 -2.65 0.00 0.00 178.83 177.62 3dza h GLY 61 N 0.94 0.40 0.62 2.39 0.00 -1.21 -1.44 103.07 104.76 3dza h GLY 61 Ca 0.49 -0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 3dza h GLY 61 CO -0.28 0.23 0.53 0.00 0.00 0.00 0.00 176.54 177.02 3dza h ALA 62 N 0.87 1.24 -0.54 3.60 0.00 -1.18 -2.59 119.26 120.65 3dza h ALA 62 Ca 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dza h ALA 62 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dza h ALA 62 CO 0.00 0.22 0.04 -0.91 0.00 0.00 0.00 179.25 178.60 3dza h ASN 63 N 0.92 0.91 0.00 0.00 2.35 -0.67 -0.13 115.58 118.96 3dza h ASN 63 Ca 0.40 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3dza h ASN 63 Cb 0.28 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3dza h ASN 63 CO -0.21 0.97 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 3dza n ALA 64 N -2.44 1.29 0.00 -0.83 0.00 -0.56 -1.00 120.51 116.97 3dza n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dza n ALA 64 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.19 0.00 0.63 -0.06 -1.60 116.66 116.15 3dza n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dza n ARG 66 Cb 0.02 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.03 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 -0.09 -0.19 6.15 3.32 -1.33 0.22 116.42 124.49 3dza h ASP 67 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3dza h ASP 67 Cb 0.00 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3dza h ASP 67 CO 0.00 -0.03 0.10 0.40 -1.72 0.00 0.00 179.24 177.98 3dza h ILE 68 N 0.20 1.12 -0.22 0.35 2.04 -1.57 0.14 117.51 119.57 3dza h ILE 68 Ca 0.31 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3dza h ILE 68 Cb 0.47 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3dza h ILE 68 CO -0.43 0.12 -0.10 -0.61 0.00 0.00 0.00 178.15 177.12 3dza h GLN 69 N 0.19 -0.07 0.00 2.37 4.15 -1.78 -1.64 115.11 118.33 3dza h GLN 69 Ca 0.07 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3dza h GLN 69 Cb 0.10 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3dza h GLN 69 CO -0.01 -0.04 -0.35 0.74 -1.93 0.00 0.00 178.83 177.24 3dza h PHE 70 N -0.07 0.00 -0.48 3.99 0.04 -0.69 -2.48 116.94 117.25 3dza h PHE 70 Ca 0.12 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3dza h PHE 70 Cb 0.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3dza h PHE 70 CO -0.27 0.35 0.10 0.00 -0.60 0.00 0.00 178.31 177.90 3dza h ALA 71 N 1.65 0.64 -0.64 2.45 0.00 -0.06 0.96 119.26 124.26 3dza h ALA 71 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3dza h ALA 71 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3dza h ALA 71 CO 0.05 0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.91 3dza h ARG 72 N 0.67 0.94 -0.34 0.00 3.08 -1.13 -1.44 114.38 116.16 3dza h ARG 72 Ca 0.15 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3dza h ARG 72 Cb 0.36 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3dza h ARG 72 CO 0.00 0.78 0.20 1.25 -1.07 0.00 0.00 179.97 181.14 3dza h LEU 73 N 0.89 0.33 -0.69 3.04 5.85 -1.15 -2.73 115.31 120.84 3dza h LEU 73 Ca 0.21 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3dza h LEU 73 Cb 0.18 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3dza h LEU 73 CO -0.02 0.24 0.45 0.00 -0.34 0.00 0.00 178.44 178.77 3dza h ALA 74 N 1.15 0.89 -0.39 1.25 0.00 -0.46 -2.24 119.26 119.46 3dza h ALA 74 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3dza h ALA 74 Cb -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3dza h ALA 74 CO -0.06 0.26 0.08 -0.07 0.00 0.00 0.00 179.25 179.47 3dza h LEU 75 N 0.90 0.02 0.00 0.00 3.38 -1.04 -0.94 115.31 117.63 3dza h LEU 75 Ca 0.26 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3dza h LEU 75 Cb -0.06 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dza h LEU 75 CO -0.08 0.04 0.00 0.49 0.09 0.00 0.00 178.44 178.99 3dza n PHE 76 N -5.09 0.00 -0.44 1.13 3.72 -0.88 -1.68 117.46 114.21 3dza n PHE 76 Ca 0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.52 3dza n PHE 76 Cb 0.18 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.94 1.05 -3.33 1.38 8.25 -0.57 -4.96 115.22 116.10 3dza n HIS 77 Ca 0.20 -0.55 -0.19 0.00 -0.26 0.00 0.00 57.72 56.92 3dza n HIS 77 Cb 0.09 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.17 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 1.22 -0.28 2.74 -1.41 0.00 -0.68 -4.98 105.19 101.81 3dza n GLY 78 Ca 0.23 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.10 2.99 0.25 1.61 6.02 -0.46 -4.93 117.38 118.75 3dza n GLN 79 Ca -0.01 -4.80 0.08 0.00 -0.01 0.00 0.00 57.00 52.27 3dza n GLN 79 Cb 0.56 -2.25 0.62 0.00 1.02 0.00 0.00 30.24 30.18 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 3.44 0.00 -0.33 -1.09 0.13 -1.87 -1.76 132.00 130.52 3dza h PRO 80 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 3dza h PRO 80 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3dza h PRO 80 CO 0.83 0.12 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.18 3dza h ASP 81 N 0.00 0.66 -0.47 1.44 3.32 -1.96 -1.07 116.42 118.34 3dza h ASP 81 Ca -0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 3dza h ASP 81 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3dza h ASP 81 CO 0.02 0.89 0.29 -1.28 -1.72 0.00 0.00 179.24 177.44 3dza h SER 82 N 0.43 0.56 -0.87 6.45 0.87 -1.88 -1.82 113.55 117.30 3dza h SER 82 Ca 0.08 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3dza h SER 82 Cb 0.61 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 3dza h SER 82 CO 0.04 0.45 0.54 0.00 -0.53 0.00 0.00 176.83 177.32 3dza h ALA 83 N 1.14 1.18 -0.27 6.23 0.00 -1.11 -0.86 119.26 125.57 3dza h ALA 83 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dza h ALA 83 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3dza h ALA 83 CO -0.03 0.30 0.16 -0.22 0.00 0.00 0.00 179.25 179.45 3dza h LYS 84 N 0.99 0.38 -0.75 0.00 3.64 -0.87 -0.21 116.57 119.75 3dza h LYS 84 Ca 0.37 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3dza h LYS 84 Cb 0.15 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3dza h LYS 84 CO -0.17 0.32 0.50 0.87 -2.27 0.00 0.00 179.45 178.70 3dza h LYS 85 N 0.33 0.97 -0.24 1.90 1.57 -0.87 0.04 116.57 120.28 3dza h LYS 85 Ca 0.10 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3dza h LYS 85 Cb 0.05 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3dza h LYS 85 CO -0.02 0.65 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.27 3dza h LEU 86 N 1.00 0.55 -0.75 2.94 3.38 -1.02 -1.14 115.31 120.29 3dza h LEU 86 Ca 0.28 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3dza h LEU 86 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3dza h LEU 86 CO -0.07 0.88 0.01 0.74 0.09 0.00 0.00 178.44 180.10 3dza h THR 87 N 0.23 1.26 -0.68 0.22 2.02 -0.91 -0.52 112.91 114.53 3dza h THR 87 Ca 0.05 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 3dza h THR 87 Cb 0.70 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3dza h THR 87 CO 0.05 0.39 0.29 0.44 0.37 0.00 0.00 175.52 177.05 3dza h ASP 88 N 0.90 0.90 -0.32 4.18 3.32 -0.96 -1.31 116.42 123.12 3dza h ASP 88 Ca 0.17 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3dza h ASP 88 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3dza h ASP 88 CO 0.02 0.79 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.43 3dza h ASP 89 N 0.97 0.67 -0.53 6.45 3.58 -0.66 -1.62 116.42 125.28 3dza h ASP 89 Ca 0.23 -0.39 0.07 0.00 0.42 0.00 0.00 57.03 57.36 3dza h ASP 89 Cb 0.16 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 40.97 3dza h ASP 89 CO -0.02 0.91 0.21 0.00 -2.88 0.00 0.00 179.24 177.46 3dza h ALA 90 N 0.78 0.67 -0.63 -0.78 0.00 -0.83 -0.63 119.26 117.85 3dza h ALA 90 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dza h ALA 90 Cb 0.64 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3dza h ALA 90 CO 0.04 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.46 3dza h ALA 91 N 1.34 0.83 -0.32 0.00 0.00 -1.10 -0.38 119.26 119.63 3dza h ALA 91 Ca 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3dza h ALA 91 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dza h ALA 91 CO -0.24 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.12 3dza h ALA 92 N 1.32 0.43 -0.28 0.00 0.00 -0.76 -0.72 119.26 119.25 3dza h ALA 92 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dza h ALA 92 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dza h ALA 92 CO -0.17 0.09 0.17 -0.07 0.00 0.00 0.00 179.25 179.27 3dza h LEU 93 N 0.36 0.34 -1.78 0.00 3.38 -0.84 -2.70 115.31 114.08 3dza h LEU 93 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dza h LEU 93 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dza h LEU 93 CO 0.00 0.29 -0.08 -0.07 0.09 0.00 0.00 178.44 178.67 3dza h LEU 94 N 0.35 0.00 0.00 1.67 3.38 -0.95 -2.99 115.31 116.78 3dza h LEU 94 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dza h LEU 94 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dza h LEU 94 CO -0.02 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3dza n ALA 95 N -2.18 2.03 -1.54 1.53 0.00 -0.29 -4.83 120.51 115.23 3dza n ALA 95 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3dza n ALA 95 Cb 0.27 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.39 -0.63 -1.47 0.00 0.00 -1.13 -4.86 120.51 111.02 3dza n ALA 96 Ca 0.08 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 3dza n ALA 96 Cb 0.21 -1.94 0.05 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.76 5.02 0.34 0.00 1.47 -1.26 -4.84 116.67 116.63 3dza s ASP 97 Ca 0.62 1.96 0.02 0.00 1.18 0.00 0.00 52.55 56.33 3dza s ASP 97 Cb -0.64 -2.54 0.59 0.00 -0.34 0.00 0.00 42.92 39.99 3dza s ASP 97 CO 0.58 -1.69 1.97 0.44 0.68 0.00 0.00 175.17 177.15 3dza h ASP 98 N -0.17 0.72 -0.84 2.11 5.19 -1.95 -0.65 116.42 120.83 3dza h ASP 98 Ca -0.46 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 55.97 3dza h ASP 98 Cb 1.24 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.51 3dza h ASP 98 CO 0.54 0.57 0.52 0.00 -3.12 0.00 0.00 179.24 177.74 3dza h ALA 99 N 1.55 1.17 -0.03 3.45 0.00 -2.01 -2.14 119.26 121.25 3dza h ALA 99 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3dza h ALA 99 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dza h ALA 99 CO -0.04 0.24 -0.40 0.66 0.00 0.00 0.00 179.25 179.71 3dza h SER 100 N 0.93 0.06 1.75 0.00 4.64 -1.46 -2.61 113.55 116.85 3dza h SER 100 Ca 0.37 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.65 3dza h SER 100 Cb 0.20 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3dza h SER 100 CO -0.18 0.46 -0.11 -0.50 -0.87 0.00 0.00 176.83 175.63 3dza h TRP 101 N 0.05 0.00 -0.84 4.77 4.06 -1.28 -3.39 115.95 119.33 3dza h TRP 101 Ca 0.00 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.99 3dza h TRP 101 Cb 0.74 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.85 3dza h TRP 101 CO 0.00 0.11 0.55 0.00 -3.56 0.00 0.00 178.44 175.54 3dza h ALA 102 N 1.89 1.50 0.00 1.49 0.00 -1.00 -0.52 119.26 122.63 3dza h ALA 102 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dza h ALA 102 Cb 1.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dza h ALA 102 CO 0.01 0.42 0.00 0.36 0.00 0.00 0.00 179.25 180.04 3dza n LYS 103 N -4.45 0.13 0.00 0.00 0.00 -1.26 -2.33 118.16 110.25 3dza n LYS 103 Ca 0.11 0.37 0.08 0.00 -0.00 0.00 0.00 58.31 58.87 3dza n LYS 103 Cb 0.12 -1.75 0.07 0.00 -0.00 0.00 0.00 35.03 33.47 3dza n LYS 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3dza n PHE 104 N -2.00 0.00 -2.34 5.58 3.72 -0.22 -4.95 117.46 117.25 3dza n PHE 104 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3dza n PHE 104 Cb 0.21 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 -1.42 3.90 -0.94 -4.37 1.01 -0.99 -0.75 120.40 116.85 3dza s VAL 105 Ca 0.19 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.25 3dza s VAL 105 Cb 0.14 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3dza s VAL 105 CO 0.22 0.05 1.43 -0.75 0.00 0.00 0.00 175.10 176.05 3dza s LYS 106 N 1.64 3.45 0.39 2.72 2.20 0.42 -4.85 119.74 125.70 3dza s LYS 106 Ca 0.60 -0.86 0.15 0.00 -0.36 0.00 0.00 55.97 55.50 3dza s LYS 106 Cb -0.30 -5.05 0.79 0.00 -1.51 0.00 0.00 37.83 31.76 3dza s LYS 106 CO 0.27 -2.24 1.84 1.79 -0.36 0.00 0.00 175.35 176.65 3dza h THR 107 N 6.63 1.16 -0.73 3.43 1.35 -1.93 -2.54 112.91 120.28 3dza h THR 107 Ca 0.07 -1.24 -0.37 0.00 -0.55 0.00 0.00 66.41 64.32 3dza h THR 107 Cb 1.02 1.68 -0.22 0.00 -1.73 0.00 0.00 68.15 68.90 3dza h THR 107 CO 1.38 0.34 0.34 -0.90 -0.25 0.00 0.00 175.52 176.44 3dza n ASP 108 N -3.99 3.23 -4.70 5.36 5.75 -1.26 -4.99 116.55 115.95 3dza n ASP 108 Ca -0.02 -3.68 -0.43 0.00 -0.01 0.00 0.00 54.79 50.66 3dza n ASP 108 Cb 0.40 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.12 2.47 -0.03 2.12 0.00 -0.96 -4.91 120.51 118.08 3dza n ALA 109 Ca 0.49 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 54.30 3dza n ALA 109 Cb 1.41 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 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 0.66 -3.31 0.00 4.01 -1.26 -4.70 118.16 117.88 3dza n LYS 110 Ca 0.17 0.03 -0.36 0.00 -0.51 0.00 0.00 58.31 57.64 3dza n LYS 110 Cb 0.35 -1.62 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 3dza n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3dza n ALA 111 N -2.50 4.44 -1.89 7.82 0.00 -1.26 -5.20 120.51 121.91 3dza n ALA 111 Ca -0.17 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.52 3dza n ALA 111 Cb 0.89 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3dza n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dza n LYS 112 N 1.41 1.67 -0.96 0.00 5.02 -1.26 -4.98 118.16 119.07 3dza n LYS 112 Ca 0.26 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 3dza n LYS 112 Cb 0.37 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.44 3dza n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3dza n ILE 114 N -0.51 0.08 -2.06 -0.18 -5.35 -1.26 -5.13 119.36 104.94 3dza n ILE 114 Ca 0.00 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.65 3dza n ILE 114 Cb 0.00 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 37.65 3dza n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dza s ALA 115 N -2.12 3.02 0.15 -1.28 0.00 -1.26 -4.91 121.76 115.36 3dza s ALA 115 Ca 0.47 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 3dza s ALA 115 Cb -0.21 -3.96 0.06 0.00 0.00 0.00 0.00 23.12 19.02 3dza s ALA 115 CO 0.76 -2.38 0.85 0.34 0.00 0.00 0.00 175.76 175.33 3dza s ASP 116 N 5.31 -0.28 -0.42 0.00 -1.08 -1.26 -5.00 116.67 113.95 3dza s ASP 116 Ca 0.76 -0.32 -0.26 0.00 -0.52 0.00 0.00 52.55 52.21 3dza s ASP 116 Cb -0.23 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 41.79 3dza s ASP 116 CO 0.32 -0.95 0.96 -0.13 0.52 0.00 0.00 175.17 175.89 3dza s ARG 117 N -3.45 3.72 -0.26 4.34 0.52 -1.26 -4.97 118.95 117.59 3dza s ARG 117 Ca 0.09 0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.55 3dza s ARG 117 Cb -0.02 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 3dza s ARG 117 CO -0.01 -1.11 0.57 0.71 0.02 0.00 0.00 175.30 175.49 3dza s TYR 118 N 3.72 3.28 -0.09 -0.53 1.51 -1.26 -1.13 117.35 122.85 3dza s TYR 118 Ca 0.39 0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 57.05 3dza s TYR 118 Cb -0.11 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 38.92 3dza s TYR 118 CO 0.23 -0.30 0.32 0.08 -1.11 0.00 0.00 175.55 174.78 3dza s VAL 119 N 2.38 5.23 -0.53 0.71 1.01 -1.26 -0.44 120.40 127.50 3dza s VAL 119 Ca 0.24 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 3dza s VAL 119 Cb -0.16 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3dza s VAL 119 CO 0.09 0.49 1.36 -0.63 0.00 0.00 0.00 175.10 176.41 3dza s ILE 120 N -0.36 3.87 -0.61 2.22 1.01 0.07 -4.17 121.20 123.24 3dza s ILE 120 Ca 0.20 0.79 0.15 0.00 0.00 0.00 0.00 60.65 61.79 3dza s ILE 120 Cb -0.14 -4.45 -0.18 0.00 0.01 0.00 0.00 42.46 37.70 3dza s ILE 120 CO 0.08 -1.11 0.60 2.30 0.00 0.00 0.00 174.94 176.81 3dza n ILE 121 N 6.87 0.00 -3.48 2.92 -5.35 -0.34 -0.41 119.36 119.58 3dza n ILE 121 Ca 0.13 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 3dza n ILE 121 Cb 0.49 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 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 -2.68 -0.52 -0.04 7.28 3.84 -1.22 -3.34 114.94 118.27 3dza s ASN 122 Ca 0.04 0.21 -0.30 0.00 0.21 0.00 0.00 52.86 53.02 3dza s ASN 122 Cb 0.11 0.50 0.08 0.00 -0.55 0.00 0.00 41.25 41.39 3dza s ASN 122 CO 0.64 -0.73 0.71 0.00 -2.79 0.00 0.00 177.10 174.93 3dza s ALA 123 N -2.69 -1.77 0.10 1.71 0.00 -1.26 -1.04 121.76 116.81 3dza s ALA 123 Ca -0.01 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 3dza s ALA 123 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3dza s ALA 123 CO -0.05 -0.41 0.24 -1.54 0.00 0.00 0.00 175.76 173.99 3dza s SER 124 N -1.37 0.05 0.01 0.00 1.04 -0.25 -4.98 113.70 108.21 3dza s SER 124 Ca -0.08 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 3dza s SER 124 Cb -0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3dza s SER 124 CO 0.06 -0.76 0.93 -0.63 0.98 0.00 0.00 173.24 173.82 3dza s ILE 125 N -3.86 4.82 -0.22 -1.02 -1.09 -1.26 -0.45 121.20 118.12 3dza s ILE 125 Ca 0.05 1.96 -0.07 0.00 -2.23 0.00 0.00 60.65 60.37 3dza s ILE 125 Cb 0.04 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 3dza s ILE 125 CO -0.11 0.21 0.05 0.00 -1.23 0.00 0.00 174.94 173.86 3dza s ALA 126 N 0.76 3.16 -0.01 9.38 0.00 -0.18 -4.88 121.76 129.99 3dza s ALA 126 Ca 0.49 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3dza s ALA 126 Cb -0.21 -1.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 3dza s ALA 126 CO 0.27 -0.27 -0.06 -1.17 0.00 0.00 0.00 175.76 174.53 3dza s LEU 127 N 1.21 1.92 -0.03 0.00 0.20 -1.26 -1.04 118.68 119.68 3dza s LEU 127 Ca 0.04 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 3dza s LEU 127 Cb -0.14 -0.34 0.03 0.00 -0.43 0.00 0.00 46.19 45.30 3dza s LEU 127 CO 0.03 0.06 0.03 -0.55 -0.29 0.00 0.00 176.35 175.63 3dza s SER 128 N -0.01 0.60 0.32 3.68 0.15 -0.05 -5.00 113.70 113.39 3dza s SER 128 Ca 0.01 0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 3dza s SER 128 Cb -0.04 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3dza s SER 128 CO -0.00 -0.16 0.53 -1.83 1.20 0.00 0.00 173.24 172.97 3dza s GLU 129 N 1.46 1.87 0.00 5.44 -1.05 -1.26 -0.55 118.70 124.60 3dza s GLU 129 Ca -0.04 -1.57 0.24 0.00 -0.15 0.00 0.00 54.97 53.45 3dza s GLU 129 Cb -0.13 0.48 0.32 0.00 -0.44 0.00 0.00 34.13 34.36 3dza s GLU 129 CO -0.03 -0.79 1.28 -0.40 0.95 0.00 0.00 175.26 176.27 3dza n ASP 130 N -1.14 0.71 -0.24 0.83 5.68 -1.26 -4.96 116.55 116.17 3dza n ASP 130 Ca -0.01 -0.52 -0.03 0.00 -0.50 0.00 0.00 54.79 53.72 3dza n ASP 130 Cb 0.61 0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 41.02 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 -1.40 0.00 -3.46 2.11 4.01 -1.26 -4.98 117.16 112.18 3dza n TYR 131 Ca 0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.40 3dza n TYR 131 Cb 0.34 -1.56 -0.10 0.00 -0.31 0.00 0.00 39.34 37.71 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 -1.62 5.22 0.24 -0.72 1.01 -1.26 -5.07 120.40 118.20 3dza s VAL 132 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3dza s VAL 132 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3dza s VAL 132 CO 0.00 0.05 1.17 0.00 0.00 0.00 0.00 175.10 176.32 3dza s ALA 133 N 1.92 3.43 0.05 5.51 0.00 -1.26 -5.00 121.76 126.42 3dza s ALA 133 Ca 0.10 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3dza s ALA 133 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3dza s ALA 133 CO 0.11 -0.31 -0.04 0.95 0.00 0.00 0.00 175.76 176.47 3dza s THR 134 N -0.66 0.27 0.27 0.00 -4.23 -1.26 -5.04 115.64 104.99 3dza s THR 134 Ca 0.49 -1.57 -0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3dza s THR 134 Cb -0.33 -1.19 0.25 0.00 1.34 0.00 0.00 72.50 72.57 3dza s THR 134 CO 0.40 -0.83 1.80 -0.65 -0.54 0.00 0.00 174.62 174.80 3dza h PRO 135 N 3.55 0.77 -0.33 3.99 0.11 -1.99 -0.19 132.00 137.92 3dza h PRO 135 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dza h PRO 135 Cb 1.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3dza h PRO 135 CO 0.59 0.51 0.22 0.93 -0.21 0.00 0.00 178.00 180.03 3dza h GLU 136 N 0.80 0.43 -0.46 1.05 3.07 -1.99 -0.42 114.58 117.05 3dza h GLU 136 Ca 0.47 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.27 3dza h GLU 136 Cb 0.56 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3dza h GLU 136 CO -0.31 0.28 0.15 0.87 -1.40 0.00 0.00 179.01 178.61 3dza h LYS 137 N 0.44 0.72 -0.67 2.33 1.57 -1.79 -1.39 116.57 117.77 3dza h LYS 137 Ca 0.12 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3dza h LYS 137 Cb -0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3dza h LYS 137 CO -0.03 0.68 0.44 0.93 -0.57 0.00 0.00 179.45 180.90 3dza h GLU 138 N 0.61 0.89 -0.60 3.15 5.08 -0.79 0.23 114.58 123.16 3dza h GLU 138 Ca 0.15 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3dza h GLU 138 Cb 0.26 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3dza h GLU 138 CO -0.01 0.60 0.20 1.03 -1.00 0.00 0.00 179.01 179.83 3dza h SER 139 N 0.91 0.86 -0.59 1.42 0.87 -0.98 -1.74 113.55 114.30 3dza h SER 139 Ca 0.25 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3dza h SER 139 Cb -0.10 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 3dza h SER 139 CO -0.05 0.83 0.16 0.00 -0.53 0.00 0.00 176.83 177.24 3dza h ALA 140 N 1.06 0.78 -0.70 6.23 0.00 -0.71 -0.35 119.26 125.57 3dza h ALA 140 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dza h ALA 140 Cb 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dza h ALA 140 CO -0.01 0.46 0.43 0.82 0.00 0.00 0.00 179.25 180.95 3dza h ILE 141 N 0.85 1.20 -0.56 0.00 2.04 -0.39 0.18 117.51 120.83 3dza h ILE 141 Ca 0.19 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3dza h ILE 141 Cb 0.32 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3dza h ILE 141 CO -0.00 0.21 0.14 -0.61 0.00 0.00 0.00 178.15 177.89 3dza h GLN 142 N 0.96 0.89 -0.38 2.37 4.15 -1.00 -0.20 115.11 121.89 3dza h GLN 142 Ca 0.25 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3dza h GLN 142 Cb -0.04 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3dza h GLN 142 CO -0.05 0.83 0.02 1.03 -1.93 0.00 0.00 178.83 178.73 3dza h SER 143 N 0.79 0.64 -0.80 -0.69 0.87 -0.75 -1.87 113.55 111.75 3dza h SER 143 Ca 0.18 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3dza h SER 143 Cb 0.33 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 3dza h SER 143 CO 0.00 0.78 0.51 0.00 -0.53 0.00 0.00 176.83 177.58 3dza h ALA 144 N 0.89 1.05 -0.56 6.23 0.00 -0.37 -1.50 119.26 125.00 3dza h ALA 144 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dza h ALA 144 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3dza h ALA 144 CO 0.02 0.31 0.34 -0.91 0.00 0.00 0.00 179.25 179.00 3dza h ASN 145 N 0.98 0.67 -0.56 0.00 2.35 -0.81 0.66 115.58 118.87 3dza h ASN 145 Ca 0.32 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3dza h ASN 145 Cb 0.03 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3dza h ASN 145 CO -0.12 0.53 0.31 -0.33 -1.65 0.00 0.00 177.43 176.17 3dza h GLU 146 N 0.76 0.78 -0.49 0.81 5.08 -0.95 -1.50 114.58 119.06 3dza h GLU 146 Ca 0.20 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3dza h GLU 146 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3dza h GLU 146 CO -0.04 0.60 0.14 0.87 -1.00 0.00 0.00 179.01 179.57 3dza h LYS 147 N 0.75 0.78 -0.25 2.33 1.57 -0.90 -2.82 116.57 118.03 3dza h LYS 147 Ca 0.20 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3dza h LYS 147 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3dza h LYS 147 CO -0.03 0.74 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.49 3dza h LEU 148 N 0.67 0.36 -1.82 2.94 3.38 -0.70 0.13 115.31 120.26 3dza h LEU 148 Ca 0.16 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3dza h LEU 148 Cb 0.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3dza h LEU 148 CO -0.00 0.45 0.21 0.00 0.09 0.00 0.00 178.44 179.19 3dza h ALA 149 N 1.60 2.01 -0.59 1.53 0.00 -1.02 -0.80 119.26 121.99 3dza h ALA 149 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dza h ALA 149 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dza h ALA 149 CO 0.01 -0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.82 3dza n LYS 150 N -4.48 3.17 -1.04 0.00 5.02 -0.72 -4.93 118.16 115.17 3dza n LYS 150 Ca 0.03 -2.46 -0.01 0.00 -2.02 0.00 0.00 58.31 53.85 3dza n LYS 150 Cb 0.22 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.17 0.39 3.04 0.72 0.00 -0.31 -4.92 105.19 105.28 3dza n GLY 151 Ca 0.22 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.36 4.62 -0.11 1.61 2.03 -0.05 -4.79 116.55 119.49 3dza n ASP 152 Ca -0.01 -2.95 -0.05 0.00 0.52 0.00 0.00 54.79 52.30 3dza n ASP 152 Cb 0.25 -1.61 0.02 0.00 -0.72 0.00 0.00 41.12 39.06 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 6.39 0.10 0.02 -0.67 4.15 -1.91 -2.27 115.11 120.91 3dza h GLN 153 Ca 0.46 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 3dza h GLN 153 Cb 0.71 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 3dza h GLN 153 CO 1.64 0.06 -0.01 -0.22 -1.93 0.00 0.00 178.83 178.37 3dza h LYS 154 N 0.10 -0.04 -0.93 1.69 3.64 -1.97 -0.42 116.57 118.64 3dza h LYS 154 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3dza h LYS 154 Cb 0.27 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3dza h LYS 154 CO -0.32 -0.02 0.59 0.78 -2.27 0.00 0.00 179.45 178.20 3dza h GLY 155 N -0.04 1.32 0.85 5.01 0.00 -1.95 -1.27 103.07 107.00 3dza h GLY 155 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 3dza h GLY 155 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 176.54 177.05 3dza h ALA 156 N 1.32 0.01 -0.57 3.60 0.00 -0.99 -1.20 119.26 121.43 3dza h ALA 156 Ca 0.34 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3dza h ALA 156 Cb -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dza h ALA 156 CO -0.07 -0.41 0.01 0.82 0.00 0.00 0.00 179.25 179.60 3dza h ILE 157 N -0.13 1.26 -0.25 0.00 1.08 -0.84 -1.15 117.51 117.49 3dza h ILE 157 Ca 0.00 -1.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 3dza h ILE 157 Cb 0.15 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3dza h ILE 157 CO -0.00 0.40 0.16 0.44 -0.69 0.00 0.00 178.15 178.46 3dza h ASP 158 N 0.88 0.27 -0.22 1.72 3.32 -1.23 0.32 116.42 121.47 3dza h ASP 158 Ca 0.16 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3dza h ASP 158 Cb 0.53 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 3dza h ASP 158 CO 0.03 0.19 -0.06 0.74 -1.72 0.00 0.00 179.24 178.42 3dza h THR 159 N 0.32 0.76 -0.27 0.35 2.02 -1.02 -0.34 112.91 114.74 3dza h THR 159 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3dza h THR 159 Cb -0.03 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3dza h THR 159 CO -0.03 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.92 3dza h LEU 160 N -0.02 0.35 -0.61 2.58 3.38 -1.08 -2.88 115.31 117.03 3dza h LEU 160 Ca 0.11 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3dza h LEU 160 Cb 0.18 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3dza h LEU 160 CO -0.23 0.38 0.31 -0.09 0.09 0.00 0.00 178.44 178.90 3dza h ARG 161 N 0.30 0.56 0.00 1.13 2.43 -0.56 -0.09 114.38 118.15 3dza h ARG 161 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dza h ARG 161 Cb 0.13 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3dza h ARG 161 CO -0.01 0.37 0.00 -0.07 -1.51 0.00 0.00 179.97 178.75 3dza h LEU 162 N 0.58 0.00 -1.24 3.80 3.38 -1.01 -1.37 115.31 119.45 3dza h LEU 162 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3dza h LEU 162 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dza h LEU 162 CO -0.20 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.33 3dza n ALA 163 N -1.96 2.51 -0.92 1.53 0.00 -0.72 -4.94 120.51 116.01 3dza n ALA 163 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3dza n ALA 163 Cb 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.16 0.63 3.23 0.00 0.00 -0.51 -4.84 105.19 104.86 3dza n GLY 164 Ca 0.16 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 3.56 -0.10 -0.61 1.01 -0.13 -4.53 121.20 118.41 3dza s ILE 165 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.21 3dza s ILE 165 Cb 0.00 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3dza s ILE 165 CO 0.00 -0.23 0.35 -0.83 0.00 0.00 0.00 174.94 174.23 3dza s GLY 166 N 1.46 2.33 -0.14 6.18 0.00 0.29 -2.42 107.32 115.01 3dza s GLY 166 Ca -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 3dza s GLY 166 CO 0.01 0.31 0.24 0.14 0.00 0.00 0.00 173.10 173.80 3dza s VAL 167 N -0.18 -0.38 0.32 1.40 1.01 -1.26 -0.87 120.40 120.44 3dza s VAL 167 Ca 0.20 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3dza s VAL 167 Cb -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3dza s VAL 167 CO 0.08 0.05 0.16 2.30 0.00 0.00 0.00 175.10 177.69 3dza n ILE 168 N 5.34 0.00 -4.85 2.22 -5.35 -0.21 -4.62 119.36 111.90 3dza n ILE 168 Ca -0.06 -2.00 -0.33 0.00 -0.27 0.00 0.00 62.75 60.10 3dza n ILE 168 Cb 0.50 0.80 -0.15 0.00 -1.74 0.00 0.00 39.64 39.05 3dza n ILE 168 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3dza s GLU 169 N -3.25 3.23 -0.14 6.28 2.12 -0.47 -1.02 118.70 125.46 3dza s GLU 169 Ca 0.22 -0.71 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 3dza s GLU 169 Cb 0.01 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 3dza s GLU 169 CO 0.16 0.26 0.54 -0.80 -0.54 0.00 0.00 175.26 174.88 3dza s ASN 170 N 0.22 6.70 0.05 -1.70 0.01 0.41 -0.44 114.94 120.18 3dza s ASN 170 Ca -0.09 0.84 0.06 0.00 -0.71 0.00 0.00 52.86 52.96 3dza s ASN 170 Cb -0.16 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 3dza s ASN 170 CO 0.05 -0.10 -0.13 -1.10 -1.51 0.00 0.00 177.10 174.32 3dza s GLN 171 N 1.06 2.21 -0.22 -0.60 -0.21 0.60 -1.09 119.66 121.41 3dza s GLN 171 Ca 0.28 -0.93 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 3dza s GLN 171 Cb -0.16 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 31.58 3dza s GLN 171 CO 0.11 0.55 -0.10 0.71 -2.12 0.00 0.00 175.29 174.44 3dza s TYR 172 N -1.01 2.97 0.53 0.91 1.51 -0.20 -1.21 117.35 120.85 3dza s TYR 172 Ca 0.17 -1.51 0.04 0.00 -1.01 0.00 0.00 57.07 54.76 3dza s TYR 172 Cb -0.11 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 3dza s TYR 172 CO 0.08 -0.73 0.29 -0.51 -1.11 0.00 0.00 175.55 173.57 3dza s LEU 173 N 1.33 2.59 -0.13 -1.29 1.43 0.80 -1.19 118.68 122.21 3dza s LEU 173 Ca 0.02 -1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 3dza s LEU 173 Cb -0.15 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.04 3dza s LEU 173 CO -0.07 -1.03 -0.01 -2.16 0.23 0.00 0.00 176.35 173.31 3dza s PRO 175 N -4.17 0.96 0.04 1.29 0.04 -1.26 -0.97 135.00 130.93 3dza s PRO 175 Ca 0.26 -0.25 -0.27 0.00 0.04 0.00 0.00 61.00 60.79 3dza s PRO 175 Cb -0.01 -1.63 -0.17 0.00 0.04 0.00 0.00 34.50 32.73 3dza s PRO 175 CO 0.16 -0.42 1.41 1.25 0.04 0.00 0.00 177.00 179.43 3dza h LEU 176 N 8.23 -0.43 -0.33 -3.56 5.85 -1.50 -1.37 115.31 122.20 3dza h LEU 176 Ca -0.21 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 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 -0.15 0.13 -1.13 -0.34 0.00 0.00 178.44 177.29 3dza h ASN 177 N -0.71 0.45 -0.52 1.25 -1.24 -1.97 -1.77 115.58 111.06 3dza h ASN 177 Ca -0.05 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.74 3dza h ASN 177 Cb 0.50 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 3dza h ASN 177 CO 0.08 0.48 0.12 -0.61 -1.29 0.00 0.00 177.43 176.21 3dza h GLN 178 N 0.38 0.90 -0.32 6.67 5.75 -1.95 -0.76 115.11 125.79 3dza h GLN 178 Ca 0.11 -0.20 -0.17 0.00 -0.15 0.00 0.00 58.65 58.24 3dza h GLN 178 Cb 0.17 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3dza h GLN 178 CO -0.01 0.82 -0.47 1.15 -2.65 0.00 0.00 178.83 177.68 3dza h THR 179 N 0.86 1.28 -0.52 2.39 2.02 -1.09 -0.78 112.91 117.07 3dza h THR 179 Ca 0.18 -1.65 0.06 0.00 0.77 0.00 0.00 66.41 65.77 3dza h THR 179 Cb 0.34 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3dza h THR 179 CO 0.00 0.54 0.23 0.03 0.37 0.00 0.00 175.52 176.69 3dza h ARG 180 N 0.67 0.43 -0.32 6.66 3.08 -1.03 -1.30 114.38 122.57 3dza h ARG 180 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3dza h ARG 180 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 3dza h ARG 180 CO 0.11 0.28 0.18 0.87 -1.07 0.00 0.00 179.97 180.34 3dza h LYS 181 N 0.44 0.44 -0.64 0.04 1.57 -0.87 -1.56 116.57 115.98 3dza h LYS 181 Ca 0.24 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3dza h LYS 181 Cb 0.22 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3dza h LYS 181 CO -0.21 0.36 0.15 0.00 -0.57 0.00 0.00 179.45 179.18 3dza h ALA 182 N 1.05 1.06 -0.13 3.86 0.00 -0.93 -0.97 119.26 123.20 3dza h ALA 182 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dza h ALA 182 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dza h ALA 182 CO -0.02 0.62 0.02 0.28 0.00 0.00 0.00 179.25 180.15 3dza h VAL 183 N 0.96 1.22 -0.70 0.00 2.07 -1.04 -0.77 116.25 117.98 3dza h VAL 183 Ca 0.20 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3dza h VAL 183 Cb 0.35 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3dza h VAL 183 CO 0.00 0.20 0.37 0.00 0.02 0.00 0.00 177.57 178.17 3dza h ALA 184 N 0.80 0.96 -0.50 1.67 0.00 -1.12 0.12 119.26 121.19 3dza h ALA 184 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dza h ALA 184 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dza h ALA 184 CO 0.00 0.01 0.26 0.37 0.00 0.00 0.00 179.25 179.89 3dza h GLN 185 N 0.66 0.70 -0.74 0.00 4.15 -1.05 -1.85 115.11 116.99 3dza h GLN 185 Ca 0.33 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 3dza h GLN 185 Cb 0.28 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3dza h GLN 185 CO -0.23 0.57 0.24 0.66 -1.93 0.00 0.00 178.83 178.15 3dza h SER 186 N 0.66 1.07 -0.82 -0.69 4.64 -0.65 -2.00 113.55 115.75 3dza h SER 186 Ca 0.17 -0.20 0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3dza h SER 186 Cb 0.08 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.82 3dza h SER 186 CO -0.03 0.99 0.48 1.56 -0.87 0.00 0.00 176.83 178.96 3dza h GLN 187 N 1.10 0.80 -0.49 4.77 4.20 -0.14 -0.05 115.11 125.31 3dza h GLN 187 Ca 0.24 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 3dza h GLN 187 Cb 0.29 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3dza h GLN 187 CO -0.01 0.53 -0.21 0.93 -0.67 0.00 0.00 178.83 179.41 3dza h GLU 188 N 0.83 1.00 -0.56 1.46 4.39 -1.02 -1.95 114.58 118.73 3dza h GLU 188 Ca 0.39 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3dza h GLU 188 Cb 0.30 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3dza h GLU 188 CO -0.22 1.10 0.18 -0.07 -1.16 0.00 0.00 179.01 178.84 3dza h LEU 189 N 0.86 0.81 -0.80 1.33 3.38 -0.88 -1.50 115.31 118.51 3dza h LEU 189 Ca 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dza h LEU 189 Cb 0.79 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3dza h LEU 189 CO 0.07 0.79 0.43 -0.07 0.09 0.00 0.00 178.44 179.75 3dza h LEU 190 N 0.78 1.00 -1.41 1.67 3.38 -0.87 -0.51 115.31 119.34 3dza h LEU 190 Ca 0.18 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3dza h LEU 190 Cb 0.27 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3dza h LEU 190 CO -0.01 0.81 0.48 0.11 0.09 0.00 0.00 178.44 179.92 3dza h LYS 191 N 1.11 0.68 -0.00 1.13 1.57 -0.69 -1.22 116.57 119.14 3dza h LYS 191 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dza h LYS 191 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3dza h LYS 191 CO -0.04 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3dza n ALA 192 N -2.46 2.67 -1.17 3.86 0.00 -0.62 -4.92 120.51 117.87 3dza n ALA 192 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 3dza n ALA 192 Cb 0.28 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 1.03 0.74 2.83 0.00 0.00 -0.46 -4.93 105.19 104.40 3dza n GLY 193 Ca 0.23 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.69 3.69 -0.07 1.61 5.02 -0.28 -4.81 118.16 121.63 3dza n LYS 194 Ca -0.06 -3.52 -0.11 0.00 -2.02 0.00 0.00 58.31 52.60 3dza n LYS 194 Cb 0.33 -2.90 -0.05 0.00 -0.02 0.00 0.00 35.03 32.39 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 5.66 0.38 -0.34 2.13 0.05 -1.91 -0.50 116.97 122.44 3dza h TYR 195 Ca 0.41 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.16 3dza h TYR 195 Cb 0.61 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3dza h TYR 195 CO 1.27 0.50 0.18 -0.92 -1.05 0.00 0.00 178.16 178.14 3dza h TYR 196 N 0.15 0.33 -0.29 4.88 3.20 -1.98 0.03 116.97 123.30 3dza h TYR 196 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3dza h TYR 196 Cb 0.33 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3dza h TYR 196 CO 0.02 0.19 0.13 0.93 -1.64 0.00 0.00 178.16 177.78 3dza h GLU 197 N 0.37 0.42 -0.52 1.82 3.07 -1.94 -1.56 114.58 116.23 3dza h GLU 197 Ca 0.14 -0.07 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 3dza h GLU 197 Cb 0.03 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 27.81 3dza h GLU 197 CO -0.08 0.42 0.17 0.00 -1.40 0.00 0.00 179.01 178.12 3dza h ALA 198 N 0.98 0.64 -0.60 3.43 0.00 -0.81 -1.23 119.26 121.67 3dza h ALA 198 Ca 0.10 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3dza h ALA 198 Cb 0.15 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3dza h ALA 198 CO -0.01 -0.23 -0.03 -0.97 0.00 0.00 0.00 179.25 178.00 3dza h ASN 199 N 0.34 -0.33 -0.02 0.00 -1.24 -0.46 -1.04 115.58 112.82 3dza h ASN 199 Ca 0.26 0.15 -0.12 0.00 0.71 0.00 0.00 56.30 57.30 3dza h ASN 199 Cb 0.30 0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 3dza h ASN 199 CO -0.28 -0.13 -0.38 -0.07 -1.29 0.00 0.00 177.43 175.28 3dza h LEU 200 N 0.09 0.55 -0.49 0.34 3.38 -0.63 0.75 115.31 119.30 3dza h LEU 200 Ca 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dza h LEU 200 Cb 0.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dza h LEU 200 CO -0.53 0.88 0.22 0.58 0.09 0.00 0.00 178.44 179.67 3dza h VAL 201 N 0.44 1.20 -0.64 1.22 2.07 -0.75 0.20 116.25 119.98 3dza h VAL 201 Ca 0.04 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3dza h VAL 201 Cb 0.86 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3dza h VAL 201 CO 0.07 0.23 0.12 -0.07 0.02 0.00 0.00 177.57 177.94 3dza h LEU 202 N 0.65 0.98 -0.85 2.57 3.38 -0.90 -0.84 115.31 120.30 3dza h LEU 202 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dza h LEU 202 Cb 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dza h LEU 202 CO -0.02 0.96 0.52 0.50 0.09 0.00 0.00 178.44 180.50 3dza h LYS 203 N 0.97 1.14 -0.79 1.13 3.64 -0.53 -0.07 116.57 122.05 3dza h LYS 203 Ca 0.20 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3dza h LYS 203 Cb 0.39 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3dza h LYS 203 CO 0.01 0.79 0.39 0.78 -2.27 0.00 0.00 179.45 179.14 3dza h GLY 204 N 1.16 1.21 0.94 5.01 0.00 -0.39 -0.18 103.07 110.81 3dza h GLY 204 Ca 0.31 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3dza h GLY 204 CO -0.06 0.56 0.20 0.00 0.00 0.00 0.00 176.54 177.24 3dza h ALA 205 N 1.30 0.42 -0.76 3.60 0.00 -0.11 -1.35 119.26 122.36 3dza h ALA 205 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3dza h ALA 205 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dza h ALA 205 CO -0.04 -0.15 0.39 0.93 0.00 0.00 0.00 179.25 180.38 3dza h GLU 206 N 0.41 1.08 0.00 0.00 5.08 -0.64 -2.26 114.58 118.25 3dza h GLU 206 Ca 0.13 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dza h GLU 206 Cb -0.01 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3dza h GLU 206 CO -0.05 0.81 0.00 0.39 -1.00 0.00 0.00 179.01 179.16 3dza n GLU 207 N -4.34 0.21 0.00 2.33 1.02 -0.12 -2.53 120.64 117.22 3dza n GLU 207 Ca 0.08 0.41 0.14 0.00 -0.02 0.00 0.00 57.16 57.76 3dza n GLU 207 Cb 0.12 -1.88 0.66 0.00 -0.02 0.00 0.00 31.44 30.32 3dza n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dza n GLY 208 N 0.15 -1.42 3.68 0.62 0.00 -0.55 -4.79 105.19 102.89 3dza n GLY 208 Ca 0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.86 4.20 -0.16 -0.61 -1.09 -1.05 -4.48 121.20 115.15 3dza s ILE 209 Ca 0.19 1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 60.00 3dza s ILE 209 Cb 0.19 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 3dza s ILE 209 CO 0.50 -0.06 0.20 -0.69 -1.23 0.00 0.00 174.94 173.66 3dza s VAL 210 N 2.83 5.37 -0.18 2.92 1.01 -0.14 -4.87 120.40 127.34 3dza s VAL 210 Ca 0.56 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 3dza s VAL 210 Cb -0.24 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3dza s VAL 210 CO 0.19 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.21 3dza s VAL 211 N -0.02 5.42 -0.10 2.92 1.01 -1.26 -0.14 120.40 128.23 3dza s VAL 211 Ca 0.13 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 3dza s VAL 211 Cb -0.12 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3dza s VAL 211 CO 0.02 0.48 0.44 -0.62 0.00 0.00 0.00 175.10 175.42 3dza s ASP 212 N 0.08 -0.41 0.08 3.32 -1.08 -0.35 -4.98 116.67 113.33 3dza s ASP 212 Ca 0.09 0.61 -0.01 0.00 -0.52 0.00 0.00 52.55 52.72 3dza s ASP 212 Cb -0.11 0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 3dza s ASP 212 CO -0.01 -0.33 0.25 -0.44 0.52 0.00 0.00 175.17 175.17 3dza s SER 213 N -0.51 6.39 0.00 -0.34 0.01 -1.26 -0.29 113.70 117.70 3dza s SER 213 Ca -0.06 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.55 3dza s SER 213 Cb -0.03 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.20 3dza s SER 213 CO 0.03 0.14 0.00 1.21 0.41 0.00 0.00 173.24 175.04 3dza n GLU 214 N 0.25 0.00 -0.09 12.44 4.07 0.41 -4.93 120.64 132.79 3dza n GLU 214 Ca -0.04 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.93 3dza n GLU 214 Cb 0.51 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.79 3dza n GLU 214 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3dza n LEU 216 N 0.00 2.41 0.00 4.31 4.77 -1.26 -1.37 117.00 125.86 3dza n LEU 216 Ca 0.00 -0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.03 3dza n LEU 216 Cb 0.00 -0.49 0.78 0.00 -2.33 0.00 0.00 43.42 41.39 3dza n LEU 216 CO 0.00 0.75 0.96 1.33 -1.33 0.00 0.00 177.39 179.10