#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ivx n ARG 10 N 0.00 0.17 -0.42 -1.46 1.85 -1.26 -3.34 116.66 112.20 2ivx n ARG 10 Ca 0.00 0.17 0.11 0.00 -1.00 0.00 0.00 57.85 57.13 2ivx n ARG 10 Cb 0.00 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.23 2ivx n ARG 10 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2ivx n TRP 11 N -1.28 1.08 -4.72 2.89 7.02 -1.26 -4.80 117.44 116.38 2ivx n TRP 11 Ca 0.05 -0.53 -0.33 0.00 -1.02 0.00 0.00 57.50 55.67 2ivx n TRP 11 Cb 0.09 -0.06 -0.15 0.00 -2.42 0.00 0.00 31.31 28.76 2ivx n TRP 11 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2ivx s PHE 12 N -1.22 2.78 0.17 -5.99 0.08 -1.21 -4.62 117.98 107.96 2ivx s PHE 12 Ca 0.48 -0.82 0.10 0.00 0.12 0.00 0.00 56.93 56.81 2ivx s PHE 12 Cb 0.27 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2ivx s PHE 12 CO 0.30 -0.33 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.86 2ivx s PHE 13 N 0.53 2.47 0.76 0.36 0.08 0.53 -4.96 117.98 117.75 2ivx s PHE 13 Ca -0.09 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 2ivx s PHE 13 Cb -0.16 -1.24 0.06 0.00 -0.57 0.00 0.00 43.02 41.11 2ivx s PHE 13 CO 0.04 0.48 1.13 0.95 -0.10 0.00 0.00 175.22 177.71 2ivx s THR 14 N -1.56 2.43 0.22 0.64 -4.23 -1.26 -4.65 115.64 107.23 2ivx s THR 14 Ca 0.21 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.71 2ivx s THR 14 Cb -0.09 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.79 2ivx s THR 14 CO 0.12 -0.16 1.78 0.08 -0.54 0.00 0.00 174.62 175.90 2ivx h ARG 15 N -0.87 0.55 -0.61 3.99 -0.00 -1.99 -1.23 114.38 114.23 2ivx h ARG 15 Ca -0.46 -0.03 0.02 0.00 -0.00 0.00 0.00 59.98 59.52 2ivx h ARG 15 Cb 1.31 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.97 31.12 2ivx h ARG 15 CO 0.64 0.37 0.37 1.49 -0.00 0.00 0.00 179.97 182.84 2ivx h GLU 16 N 0.57 0.72 -0.20 0.08 4.22 -2.00 -1.67 114.58 116.31 2ivx h GLU 16 Ca 0.33 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.63 2ivx h GLU 16 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2ivx h GLU 16 CO -0.26 0.48 -0.26 1.96 -2.18 0.00 0.00 179.01 178.75 2ivx h GLN 17 N 0.74 0.38 0.00 1.92 4.20 -1.77 -0.45 115.11 120.12 2ivx h GLN 17 Ca 0.24 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 2ivx h GLN 17 Cb 0.01 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2ivx h GLN 17 CO -0.09 0.61 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.24 2ivx h LEU 18 N 0.33 0.00 0.00 1.46 3.38 -0.83 -3.26 115.31 116.40 2ivx h LEU 18 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ivx h LEU 18 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ivx h LEU 18 CO 0.05 0.36 -0.18 -0.08 0.09 0.00 0.00 178.44 178.68 2ivx h GLU 19 N 0.00 0.00 -3.51 1.13 4.57 -1.12 -3.40 114.58 112.25 2ivx h GLU 19 Ca -0.00 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.47 2ivx h GLU 19 Cb 1.01 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.55 2ivx h GLU 19 CO 0.05 0.72 3.10 -1.71 -1.18 0.00 0.00 179.01 179.98 2ivx n ASN 20 N -4.63 5.84 -4.94 1.04 5.15 -0.20 -4.72 115.26 112.80 2ivx n ASN 20 Ca -0.10 -2.84 -0.24 0.00 -0.60 0.00 0.00 54.58 50.80 2ivx n ASN 20 Cb 0.38 -1.57 0.02 0.00 -0.53 0.00 0.00 39.78 38.08 2ivx n ASN 20 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ivx s THR 21 N 2.04 3.66 0.28 -0.44 -4.23 -1.25 -4.85 115.64 110.87 2ivx s THR 21 Ca 0.53 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2ivx s THR 21 Cb 0.15 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.87 2ivx s THR 21 CO -0.07 -0.33 1.83 -0.65 -0.54 0.00 0.00 174.62 174.86 2ivx h PRO 22 N 0.12 0.95 -0.54 3.99 0.11 -1.82 -1.75 132.00 133.06 2ivx h PRO 22 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2ivx h PRO 22 Cb 1.26 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2ivx h PRO 22 CO 0.58 0.63 0.17 0.77 -0.21 0.00 0.00 178.00 179.94 2ivx h SER 23 N 0.98 0.79 -0.77 -2.05 0.02 -1.85 -2.71 113.55 107.97 2ivx h SER 23 Ca 0.50 -0.21 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 2ivx h SER 23 Cb 0.51 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 2ivx h SER 23 CO -0.27 0.79 0.43 -0.09 -1.14 0.00 0.00 176.83 176.55 2ivx h ARG 24 N 0.75 0.74 0.00 3.45 9.65 -1.48 -1.03 114.38 126.46 2ivx h ARG 24 Ca 0.18 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2ivx h ARG 24 Cb 0.28 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2ivx h ARG 24 CO -0.01 0.49 0.00 0.54 2.80 0.00 0.00 179.97 183.79 2ivx n ARG 25 N -4.76 0.10 -0.43 0.20 1.74 -0.75 -1.01 116.66 111.75 2ivx n ARG 25 Ca 0.11 0.34 0.11 0.00 -0.77 0.00 0.00 57.85 57.64 2ivx n ARG 25 Cb 0.23 -1.69 0.32 0.00 -1.02 0.00 0.00 32.46 30.31 2ivx n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ivx n GLY 27 N 1.43 0.74 3.68 0.00 0.00 -0.18 -5.02 105.19 105.83 2ivx n GLY 27 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2ivx n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ivx s VAL 28 N -2.39 4.48 0.80 1.61 1.01 -0.79 -5.00 120.40 120.13 2ivx s VAL 28 Ca 0.00 1.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 2ivx s VAL 28 Cb 0.00 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.31 2ivx s VAL 28 CO 0.00 -0.07 1.15 -1.61 0.00 0.00 0.00 175.10 174.58 2ivx s GLU 29 N 2.67 1.78 0.13 2.72 0.41 -1.26 -4.00 118.70 121.14 2ivx s GLU 29 Ca 0.51 1.54 -0.17 0.00 -0.41 0.00 0.00 54.97 56.44 2ivx s GLU 29 Cb -0.20 -1.81 -0.02 0.00 -1.78 0.00 0.00 34.13 30.31 2ivx s GLU 29 CO 0.16 -2.07 1.70 0.00 -0.49 0.00 0.00 175.26 174.56 2ivx h ALA 30 N -1.04 0.45 -0.12 5.21 0.00 -1.95 -0.57 119.26 121.24 2ivx h ALA 30 Ca -0.45 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2ivx h ALA 30 Cb 1.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ivx h ALA 30 CO 0.47 0.02 -0.26 -0.44 0.00 0.00 0.00 179.25 179.04 2ivx h ASP 31 N 0.42 0.22 -0.37 0.00 3.45 -2.00 -1.82 116.42 116.33 2ivx h ASP 31 Ca 0.12 -0.06 -0.14 0.00 0.43 0.00 0.00 57.03 57.38 2ivx h ASP 31 Cb 0.13 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 2ivx h ASP 31 CO -0.01 0.48 -0.30 0.50 -1.57 0.00 0.00 179.24 178.34 2ivx h LYS 32 N 0.20 0.85 -0.77 3.56 1.63 -1.85 -1.71 116.57 118.48 2ivx h LYS 32 Ca 0.03 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.39 2ivx h LYS 32 Cb 0.57 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 2ivx h LYS 32 CO 0.04 1.07 0.41 1.49 -3.45 0.00 0.00 179.45 179.01 2ivx h GLU 33 N 0.65 1.08 -0.42 1.90 4.81 -0.80 -1.10 114.58 120.71 2ivx h GLU 33 Ca 0.07 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2ivx h GLU 33 Cb 0.88 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2ivx h GLU 33 CO 0.08 0.81 0.23 1.25 -0.73 0.00 0.00 179.01 180.65 2ivx h LEU 34 N 1.07 0.52 -0.69 1.64 5.85 -1.25 -1.54 115.31 120.91 2ivx h LEU 34 Ca 0.27 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2ivx h LEU 34 Cb 0.05 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2ivx h LEU 34 CO -0.04 0.46 0.39 -1.28 -0.34 0.00 0.00 178.44 177.63 2ivx h SER 35 N 0.54 0.59 -0.25 1.25 0.87 -1.02 -0.61 113.55 114.92 2ivx h SER 35 Ca 0.15 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2ivx h SER 35 Cb 0.05 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2ivx h SER 35 CO -0.02 0.38 0.08 0.00 -0.53 0.00 0.00 176.83 176.74 2ivx h ARG 37 N 0.20 0.57 -0.64 0.00 3.08 -0.88 -0.84 114.38 115.87 2ivx h ARG 37 Ca 0.11 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2ivx h ARG 37 Cb 0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2ivx h ARG 37 CO -0.12 0.38 0.24 1.96 -1.07 0.00 0.00 179.97 181.36 2ivx h GLN 38 N 0.59 0.97 -0.68 0.04 4.20 -0.74 -0.85 115.11 118.64 2ivx h GLN 38 Ca 0.24 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2ivx h GLN 38 Cb 0.12 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2ivx h GLN 38 CO -0.15 0.83 0.27 1.96 -0.67 0.00 0.00 178.83 181.07 2ivx h GLN 39 N 0.91 1.02 -0.23 1.46 4.20 -0.64 -0.34 115.11 121.49 2ivx h GLN 39 Ca 0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2ivx h GLN 39 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2ivx h GLN 39 CO -0.01 0.85 0.07 0.00 -0.67 0.00 0.00 178.83 179.06 2ivx h ALA 40 N 1.12 0.31 -0.71 3.87 0.00 -0.97 -1.08 119.26 121.80 2ivx h ALA 40 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ivx h ALA 40 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2ivx h ALA 40 CO -0.02 -0.06 0.44 0.00 0.00 0.00 0.00 179.25 179.61 2ivx h ALA 41 N 0.90 0.90 -0.93 0.00 0.00 -1.00 0.23 119.26 119.36 2ivx h ALA 41 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ivx h ALA 41 Cb 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2ivx h ALA 41 CO -0.00 0.36 0.56 -0.97 0.00 0.00 0.00 179.25 179.20 2ivx h ASN 42 N 0.97 1.11 -0.17 0.00 -1.24 -0.84 -0.58 115.58 114.83 2ivx h ASN 42 Ca 0.26 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 2ivx h ASN 42 Cb -0.06 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 2ivx h ASN 42 CO -0.05 0.85 -0.01 0.25 -1.29 0.00 0.00 177.43 177.19 2ivx h LEU 43 N 1.28 0.29 -0.70 0.34 5.85 -0.42 -1.53 115.31 120.43 2ivx h LEU 43 Ca 0.33 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2ivx h LEU 43 Cb -0.06 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2ivx h LEU 43 CO -0.06 0.54 0.41 0.40 -0.34 0.00 0.00 178.44 179.39 2ivx h ILE 44 N 0.04 1.03 -0.03 4.05 2.04 -0.75 0.65 117.51 124.53 2ivx h ILE 44 Ca 0.05 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2ivx h ILE 44 Cb 0.39 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2ivx h ILE 44 CO 0.01 0.14 0.02 -0.61 0.00 0.00 0.00 178.15 177.71 2ivx h GLN 45 N 0.78 0.05 -0.35 2.37 5.75 -0.96 0.02 115.11 122.76 2ivx h GLN 45 Ca 0.30 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2ivx h GLN 45 Cb 0.12 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2ivx h GLN 45 CO -0.15 0.08 0.16 0.93 -2.65 0.00 0.00 178.83 177.20 2ivx h GLU 46 N -0.00 0.52 -0.12 1.69 4.39 -0.79 -1.86 114.58 118.40 2ivx h GLU 46 Ca 0.01 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2ivx h GLU 46 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2ivx h GLU 46 CO -0.00 0.49 0.04 0.52 -1.16 0.00 0.00 179.01 178.89 2ivx h MET 47 N 0.43 0.10 -0.51 2.33 2.86 -0.83 -2.21 114.93 117.09 2ivx h MET 47 Ca 0.12 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2ivx h MET 47 Cb 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 2ivx h MET 47 CO -0.01 0.06 0.26 0.78 1.06 0.00 0.00 176.91 179.06 2ivx h GLY 48 N 0.10 0.71 0.44 8.32 0.00 -0.89 -0.17 103.07 111.58 2ivx h GLY 48 Ca 0.05 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.26 2ivx h GLY 48 CO -0.06 0.11 -0.06 1.46 0.00 0.00 0.00 176.54 178.00 2ivx h GLN 49 N 0.50 0.02 -0.24 4.80 4.20 -1.24 -0.79 115.11 122.37 2ivx h GLN 49 Ca 0.23 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 2ivx h GLN 49 Cb 0.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2ivx h GLN 49 CO -0.16 0.01 0.03 0.00 -0.67 0.00 0.00 178.83 178.05 2ivx h ARG 50 N 0.02 0.34 -0.00 1.46 3.08 -0.91 -2.02 114.38 116.35 2ivx h ARG 50 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2ivx h ARG 50 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ivx h ARG 50 CO -0.29 0.34 -0.09 1.28 -1.07 0.00 0.00 179.97 180.14 2ivx n LEU 51 N -4.38 0.29 -2.88 3.04 4.77 -0.12 -4.94 117.00 112.78 2ivx n LEU 51 Ca 0.00 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 2ivx n LEU 51 Cb 0.17 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2ivx n LEU 51 CO 0.37 0.06 0.07 -3.20 -1.33 0.00 0.00 177.39 173.35 2ivx n ASN 52 N -1.14 -5.76 -4.93 -1.43 5.15 -0.36 -5.01 115.26 101.79 2ivx n ASN 52 Ca 0.13 -0.32 -0.25 0.00 -0.60 0.00 0.00 54.58 53.54 2ivx n ASN 52 Cb 0.27 -4.52 -0.01 0.00 -0.53 0.00 0.00 39.78 35.00 2ivx n ASN 52 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ivx s VAL 53 N -3.17 5.07 0.74 3.44 -7.23 -0.86 -5.05 120.40 113.33 2ivx s VAL 53 Ca 0.35 -0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 60.06 2ivx s VAL 53 Cb -0.15 -3.86 0.04 0.00 0.56 0.00 0.00 36.38 32.97 2ivx s VAL 53 CO 0.43 -0.61 1.14 -0.94 -0.31 0.00 0.00 175.10 174.81 2ivx s SER 54 N -4.03 4.43 0.37 4.85 1.04 -1.26 -4.70 113.70 114.40 2ivx s SER 54 Ca 0.41 2.10 0.06 0.00 0.48 0.00 0.00 55.95 59.00 2ivx s SER 54 Cb -0.10 -2.56 0.75 0.00 0.10 0.00 0.00 66.02 64.21 2ivx s SER 54 CO 0.38 -2.09 1.97 -0.61 0.98 0.00 0.00 173.24 173.86 2ivx h GLN 55 N -0.53 0.72 -0.38 4.02 5.75 -1.97 -1.98 115.11 120.74 2ivx h GLN 55 Ca -0.46 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.08 2ivx h GLN 55 Cb 1.26 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.57 2ivx h GLN 55 CO 0.51 0.48 -0.16 1.25 -2.65 0.00 0.00 178.83 178.26 2ivx h LEU 56 N 0.74 -0.54 -0.61 -2.39 5.85 -1.99 0.78 115.31 117.15 2ivx h LEU 56 Ca 0.29 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.17 2ivx h LEU 56 Cb 0.21 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2ivx h LEU 56 CO -0.09 -0.19 0.38 0.74 -0.34 0.00 0.00 178.44 178.94 2ivx h THR 57 N -0.08 1.10 -0.41 1.05 2.02 -1.73 -0.49 112.91 114.37 2ivx h THR 57 Ca 0.19 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2ivx h THR 57 Cb 0.37 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2ivx h THR 57 CO -0.44 0.14 0.27 0.40 0.37 0.00 0.00 175.52 176.25 2ivx h ILE 58 N 0.77 1.10 -0.37 3.11 2.04 -1.09 -1.32 117.51 121.75 2ivx h ILE 58 Ca 0.24 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2ivx h ILE 58 Cb -0.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2ivx h ILE 58 CO -0.08 0.10 0.18 0.78 0.00 0.00 0.00 178.15 179.12 2ivx h ASN 59 N 0.54 0.26 -0.26 1.72 -0.26 -0.34 -0.58 115.58 116.65 2ivx h ASN 59 Ca 0.15 0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.95 2ivx h ASN 59 Cb -0.05 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 2ivx h ASN 59 CO -0.04 0.19 0.01 0.74 -1.06 0.00 0.00 177.43 177.27 2ivx h THR 60 N 0.37 0.82 -0.78 2.81 2.02 -0.82 -1.31 112.91 116.02 2ivx h THR 60 Ca 0.15 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.37 2ivx h THR 60 Cb 0.07 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 2ivx h THR 60 CO -0.11 0.02 0.46 0.00 0.37 0.00 0.00 175.52 176.26 2ivx h ALA 61 N 1.22 1.06 -0.64 6.16 0.00 -0.84 0.20 119.26 126.43 2ivx h ALA 61 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ivx h ALA 61 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ivx h ALA 61 CO -0.20 0.17 0.36 0.82 0.00 0.00 0.00 179.25 180.40 2ivx h ILE 62 N 0.84 1.20 -0.54 0.00 2.04 -0.55 -1.05 117.51 119.44 2ivx h ILE 62 Ca 0.35 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2ivx h ILE 62 Cb 0.19 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2ivx h ILE 62 CO -0.18 0.21 0.02 0.58 0.00 0.00 0.00 178.15 178.78 2ivx h VAL 63 N 0.87 1.26 -0.72 1.67 2.07 -0.47 -1.14 116.25 119.79 2ivx h VAL 63 Ca 0.23 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 66.79 2ivx h VAL 63 Cb 0.02 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 2ivx h VAL 63 CO -0.04 0.38 0.31 1.88 0.02 0.00 0.00 177.57 180.13 2ivx h TYR 64 N 0.82 0.54 0.03 1.57 0.05 -0.68 -0.39 116.97 118.91 2ivx h TYR 64 Ca 0.16 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 2ivx h TYR 64 Cb 0.51 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2ivx h TYR 64 CO 0.04 0.12 -0.01 1.98 -1.05 0.00 0.00 178.16 179.24 2ivx h MET 65 N 0.49 -0.04 -0.42 4.88 4.05 -0.69 0.11 114.93 123.32 2ivx h MET 65 Ca 0.38 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.84 2ivx h MET 65 Cb 0.51 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 2ivx h MET 65 CO -0.35 0.03 0.19 0.45 0.23 0.00 0.00 176.91 177.47 2ivx h HIS 66 N -0.09 0.35 -0.43 1.39 3.86 -0.87 -2.34 115.15 117.03 2ivx h HIS 66 Ca -0.00 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2ivx h HIS 66 Cb 0.08 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2ivx h HIS 66 CO -0.06 0.17 -0.04 0.00 0.86 0.00 0.00 177.93 178.86 2ivx h ARG 67 N 0.39 0.79 -0.79 2.45 3.08 -0.81 -2.98 114.38 116.50 2ivx h ARG 67 Ca 0.18 -0.27 0.15 0.00 0.07 0.00 0.00 59.98 60.11 2ivx h ARG 67 Cb 0.12 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 2ivx h ARG 67 CO -0.15 0.88 0.34 0.35 -1.07 0.00 0.00 179.97 180.32 2ivx h PHE 68 N 0.62 0.57 -0.09 3.04 3.57 -0.51 -1.90 116.94 122.25 2ivx h PHE 68 Ca 0.12 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2ivx h PHE 68 Cb 0.55 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2ivx h PHE 68 CO 0.04 0.08 0.00 0.66 -2.23 0.00 0.00 178.31 176.86 2ivx n TYR 69 N -4.98 0.11 1.33 0.41 4.01 -0.90 -1.70 117.16 115.44 2ivx n TYR 69 Ca 0.16 -0.06 0.14 0.00 -0.16 0.00 0.00 57.90 57.98 2ivx n TYR 69 Cb 0.44 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.09 2ivx n TYR 69 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2ivx n MET 70 N -0.23 0.48 0.00 -0.72 2.81 -0.71 -4.22 117.12 114.53 2ivx n MET 70 Ca 0.14 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ivx n MET 70 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2ivx n MET 70 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ivx n HIS 71 N -1.15 0.00 -3.88 2.03 8.25 -0.69 -4.62 115.22 115.16 2ivx n HIS 71 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 2ivx n HIS 71 Cb 0.28 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 2ivx n HIS 71 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ivx s HIS 72 N -0.65 0.10 -0.02 4.41 4.02 -0.96 -4.95 115.29 117.25 2ivx s HIS 72 Ca 0.00 -0.32 -0.15 0.00 1.02 0.00 0.00 55.06 55.61 2ivx s HIS 72 Cb 0.00 -0.07 -0.05 0.00 -1.02 0.00 0.00 32.58 31.43 2ivx s HIS 72 CO 0.00 -0.37 0.40 0.45 1.02 0.00 0.00 174.74 176.24 2ivx s SER 73 N -1.93 6.78 0.61 1.40 0.15 -1.26 -4.43 113.70 115.02 2ivx s SER 73 Ca -0.07 0.93 0.30 0.00 0.70 0.00 0.00 55.95 57.80 2ivx s SER 73 Cb -0.03 -2.25 1.63 0.00 -1.71 0.00 0.00 66.02 63.67 2ivx s SER 73 CO -0.03 0.30 2.01 -0.26 1.20 0.00 0.00 173.24 176.45 2ivx h PHE 74 N 4.93 0.00 0.00 3.44 0.04 -1.92 -0.73 116.94 122.70 2ivx h PHE 74 Ca -0.51 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.26 2ivx h PHE 74 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 2ivx h PHE 74 CO 0.70 0.00 -0.02 1.79 -0.60 0.00 0.00 178.31 180.18 2ivx h THR 75 N 0.00 0.04 0.00 -1.55 1.35 -1.93 -3.35 112.91 107.47 2ivx h THR 75 Ca 0.11 -0.84 -0.31 0.00 -0.55 0.00 0.00 66.41 64.82 2ivx h THR 75 Cb 0.73 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.90 2ivx h THR 75 CO -0.00 0.02 -2.16 1.17 -0.25 0.00 0.00 175.52 174.30 2ivx n LYS 76 N -3.11 1.04 -4.01 4.72 3.00 -0.41 -4.90 118.16 114.50 2ivx n LYS 76 Ca 0.02 0.03 -0.31 0.00 -0.00 0.00 0.00 58.31 58.06 2ivx n LYS 76 Cb 0.44 -1.43 -0.16 0.00 0.00 0.00 0.00 35.03 33.88 2ivx n LYS 76 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2ivx s PHE 77 N -2.41 2.40 0.10 5.64 0.08 -0.46 -5.03 117.98 118.30 2ivx s PHE 77 Ca -0.15 -1.54 -0.31 0.00 0.12 0.00 0.00 56.93 55.06 2ivx s PHE 77 Cb 0.06 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 2ivx s PHE 77 CO 0.62 -0.73 1.60 1.21 -0.10 0.00 0.00 175.22 177.81 2ivx s ASN 78 N 1.40 6.62 0.46 1.36 3.84 -1.26 -4.42 114.94 122.95 2ivx s ASN 78 Ca 0.00 2.50 0.22 0.00 0.21 0.00 0.00 52.86 55.79 2ivx s ASN 78 Cb -0.15 -2.57 1.22 0.00 -0.55 0.00 0.00 41.25 39.19 2ivx s ASN 78 CO -0.09 -0.84 1.89 0.07 -2.79 0.00 0.00 177.10 175.34 2ivx h LYS 79 N 7.69 0.25 -0.56 0.43 2.10 -1.96 -1.05 116.57 123.47 2ivx h LYS 79 Ca -0.42 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.11 2ivx h LYS 79 Cb 1.20 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2ivx h LYS 79 CO 0.92 0.16 -0.04 -0.91 -2.00 0.00 0.00 179.45 177.58 2ivx h ASN 80 N 0.25 0.98 0.46 7.07 2.35 -1.98 0.36 115.58 125.08 2ivx h ASN 80 Ca 0.42 -0.29 -0.30 0.00 -0.55 0.00 0.00 56.30 55.58 2ivx h ASN 80 Cb 1.23 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 39.36 2ivx h ASN 80 CO -0.10 1.06 -1.35 0.40 -1.65 0.00 0.00 177.43 175.78 2ivx h ILE 81 N 0.91 1.40 -0.54 2.81 5.03 -1.67 -2.77 117.51 122.68 2ivx h ILE 81 Ca 0.16 -2.90 -0.07 0.00 -0.12 0.00 0.00 64.86 61.93 2ivx h ILE 81 Cb 0.58 2.99 -0.02 0.00 -3.03 0.00 0.00 36.82 37.33 2ivx h ILE 81 CO 0.03 0.86 0.05 0.40 -0.68 0.00 0.00 178.15 178.81 2ivx h ILE 82 N 0.11 1.25 -0.34 -0.67 1.08 -1.19 -1.57 117.51 116.18 2ivx h ILE 82 Ca -0.19 -0.99 0.06 0.00 -0.39 0.00 0.00 64.86 63.36 2ivx h ILE 82 Cb 2.06 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 36.53 2ivx h ILE 82 CO 0.24 0.36 -0.03 0.28 -0.69 0.00 0.00 178.15 178.30 2ivx h SER 83 N 0.83 -0.20 -0.57 1.72 0.02 -0.89 0.32 113.55 114.77 2ivx h SER 83 Ca 0.16 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2ivx h SER 83 Cb 0.43 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2ivx h SER 83 CO 0.01 -0.06 0.36 0.28 -1.14 0.00 0.00 176.83 176.28 2ivx h SER 84 N 0.06 0.66 -0.05 3.07 0.02 -1.30 -1.97 113.55 114.04 2ivx h SER 84 Ca 0.16 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2ivx h SER 84 Cb 0.24 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2ivx h SER 84 CO -0.30 0.50 0.03 0.74 -1.14 0.00 0.00 176.83 176.66 2ivx h THR 85 N 0.77 1.08 -0.75 -2.27 2.02 -0.77 -0.30 112.91 112.69 2ivx h THR 85 Ca 0.21 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2ivx h THR 85 Cb -0.06 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2ivx h THR 85 CO -0.04 0.07 0.49 0.00 0.37 0.00 0.00 175.52 176.41 2ivx h ALA 86 N 0.93 0.97 -0.17 6.16 0.00 -0.21 -1.13 119.26 125.80 2ivx h ALA 86 Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2ivx h ALA 86 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ivx h ALA 86 CO -0.00 0.34 -0.36 1.25 0.00 0.00 0.00 179.25 180.48 2ivx h LEU 87 N 0.99 0.61 -0.31 0.00 5.85 -1.22 0.34 115.31 121.56 2ivx h LEU 87 Ca 0.28 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.51 2ivx h LEU 87 Cb -0.07 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 2ivx h LEU 87 CO -0.08 1.05 -0.14 0.15 -0.34 0.00 0.00 178.44 179.08 2ivx h PHE 88 N 0.19 -0.35 0.11 1.25 3.57 -0.85 -0.83 116.94 120.02 2ivx h PHE 88 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2ivx h PHE 88 Cb 0.96 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2ivx h PHE 88 CO 0.10 -0.21 -0.05 1.25 -2.23 0.00 0.00 178.31 177.16 2ivx h LEU 89 N -0.09 -0.12 -0.69 0.59 5.85 -1.17 -2.98 115.31 116.70 2ivx h LEU 89 Ca 0.16 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2ivx h LEU 89 Cb 0.34 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2ivx h LEU 89 CO -0.37 0.09 0.33 0.00 -0.34 0.00 0.00 178.44 178.15 2ivx h ALA 90 N 0.54 0.94 -0.67 1.25 0.00 -0.79 0.23 119.26 120.77 2ivx h ALA 90 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ivx h ALA 90 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2ivx h ALA 90 CO 0.02 -0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.52 2ivx h ALA 91 N 1.42 1.31 -0.14 0.00 0.00 -1.16 0.55 119.26 121.24 2ivx h ALA 91 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2ivx h ALA 91 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ivx h ALA 91 CO -0.27 0.54 -0.11 0.87 0.00 0.00 0.00 179.25 180.28 2ivx h LYS 92 N 0.94 0.32 -0.56 0.00 1.57 -1.17 0.25 116.57 117.92 2ivx h LYS 92 Ca 0.23 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2ivx h LYS 92 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2ivx h LYS 92 CO -0.03 0.69 0.35 0.28 -0.57 0.00 0.00 179.45 180.17 2ivx h VAL 93 N -0.05 1.09 -0.08 0.50 2.07 -0.60 -1.97 116.25 117.22 2ivx h VAL 93 Ca 0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2ivx h VAL 93 Cb 0.61 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2ivx h VAL 93 CO 0.03 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 2ivx n GLU 94 N -4.74 1.37 -3.37 1.57 -0.58 0.15 -4.90 120.64 110.15 2ivx n GLU 94 Ca 0.04 -0.37 -0.23 0.00 -0.42 0.00 0.00 57.16 56.18 2ivx n GLU 94 Cb 0.06 -1.37 0.06 0.00 -0.57 0.00 0.00 31.44 29.62 2ivx n GLU 94 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ivx n GLU 95 N -0.05 -6.78 -3.18 3.49 1.02 -0.74 -4.91 120.64 109.48 2ivx n GLU 95 Ca 0.03 0.85 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 2ivx n GLU 95 Cb 0.25 -5.82 -0.04 0.00 -0.02 0.00 0.00 31.44 25.81 2ivx n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ivx n GLN 96 N -4.61 1.05 -1.74 3.49 10.64 0.05 -5.05 117.38 121.21 2ivx n GLN 96 Ca -0.04 -3.44 -0.40 0.00 -1.83 0.00 0.00 57.00 51.30 2ivx n GLN 96 Cb 0.58 -1.66 0.03 0.00 -0.86 0.00 0.00 30.24 28.33 2ivx n GLN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ivx n ALA 97 N 0.44 1.67 -2.40 2.61 0.00 -1.04 -4.54 120.51 117.25 2ivx n ALA 97 Ca 0.25 0.21 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 2ivx n ALA 97 Cb 0.62 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 2ivx n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ivx s ARG 98 N -2.54 1.51 0.42 0.00 1.81 -1.26 -4.96 118.95 113.94 2ivx s ARG 98 Ca 0.65 -1.19 -0.25 0.00 -1.72 0.00 0.00 55.73 53.23 2ivx s ARG 98 Cb -0.45 -1.82 -0.08 0.00 -0.45 0.00 0.00 34.95 32.15 2ivx s ARG 98 CO 0.55 0.45 1.20 0.15 -0.68 0.00 0.00 175.30 176.96 2ivx s LYS 99 N -1.62 3.92 0.27 3.54 1.02 -1.26 -4.88 119.74 120.72 2ivx s LYS 99 Ca 0.11 1.89 -0.01 0.00 0.02 0.00 0.00 55.97 57.98 2ivx s LYS 99 Cb -0.10 -2.59 0.48 0.00 -0.52 0.00 0.00 37.83 35.10 2ivx s LYS 99 CO 0.04 -0.45 1.84 1.25 -0.92 0.00 0.00 175.35 177.10 2ivx h LEU 100 N 2.42 0.87 -0.86 3.17 5.85 -1.99 -0.99 115.31 123.78 2ivx h LEU 100 Ca -0.49 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2ivx h LEU 100 Cb 1.24 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2ivx h LEU 100 CO 0.62 0.49 0.56 -0.08 -0.34 0.00 0.00 178.44 179.68 2ivx h GLU 101 N 0.97 1.07 -0.39 1.25 4.81 -1.99 -0.42 114.58 119.88 2ivx h GLU 101 Ca 0.46 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 2ivx h GLU 101 Cb 0.40 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2ivx h GLU 101 CO -0.24 0.71 0.15 1.25 -0.73 0.00 0.00 179.01 180.14 2ivx h HIS 102 N 1.10 0.59 -0.26 0.92 2.76 -1.59 -0.75 115.15 117.93 2ivx h HIS 102 Ca 0.34 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2ivx h HIS 102 Cb -0.03 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 2ivx h HIS 102 CO -0.02 0.53 0.13 0.28 -1.30 0.00 0.00 177.93 177.56 2ivx h VAL 103 N 0.48 1.13 -0.71 5.26 2.07 -0.96 -0.31 116.25 123.21 2ivx h VAL 103 Ca 0.13 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2ivx h VAL 103 Cb 0.20 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2ivx h VAL 103 CO -0.01 0.13 0.43 0.40 0.02 0.00 0.00 177.57 178.54 2ivx h ILE 104 N 0.29 1.20 -0.29 4.57 2.04 -0.93 -0.29 117.51 124.10 2ivx h ILE 104 Ca 0.09 -0.45 -0.17 0.00 1.00 0.00 0.00 64.86 65.33 2ivx h ILE 104 Cb 0.10 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2ivx h ILE 104 CO -0.01 0.21 -0.49 0.11 0.00 0.00 0.00 178.15 177.97 2ivx h LYS 105 N 0.97 0.81 -0.71 2.37 1.57 -0.97 -1.79 116.57 118.81 2ivx h LYS 105 Ca 0.26 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2ivx h LYS 105 Cb -0.03 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2ivx h LYS 105 CO -0.05 1.11 0.25 0.28 -0.57 0.00 0.00 179.45 180.47 2ivx h VAL 106 N 0.64 1.25 -0.59 0.50 2.07 -0.80 -0.88 116.25 118.44 2ivx h VAL 106 Ca 0.03 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2ivx h VAL 106 Cb 1.07 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2ivx h VAL 106 CO 0.11 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.39 2ivx h ALA 107 N 1.12 0.75 -0.58 1.67 0.00 -0.89 -1.72 119.26 119.61 2ivx h ALA 107 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ivx h ALA 107 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2ivx h ALA 107 CO -0.01 0.22 0.38 1.25 0.00 0.00 0.00 179.25 181.09 2ivx h HIS 108 N 0.80 0.72 -0.91 0.00 6.17 -1.12 -0.12 115.15 120.69 2ivx h HIS 108 Ca 0.21 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.33 2ivx h HIS 108 Cb -0.04 -0.24 -0.05 0.00 2.52 0.00 0.00 27.41 29.60 2ivx h HIS 108 CO -0.02 0.44 0.60 0.00 0.71 0.00 0.00 177.93 179.66 2ivx h ALA 109 N 1.22 1.38 -0.04 5.26 0.00 -0.82 0.36 119.26 126.63 2ivx h ALA 109 Ca 0.22 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2ivx h ALA 109 Cb -0.07 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.39 2ivx h ALA 109 CO -0.06 0.56 -0.85 0.00 0.00 0.00 0.00 179.25 178.90 2ivx n LEU 111 N -3.99 2.06 -2.76 0.00 4.77 -0.10 -4.62 117.00 112.37 2ivx n LEU 111 Ca -0.10 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 2ivx n LEU 111 Cb 0.79 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2ivx n LEU 111 CO 0.53 0.73 0.02 1.41 -1.33 0.00 0.00 177.39 178.75 2ivx n HIS 112 N -3.28 2.38 0.02 -1.77 8.25 0.13 -4.92 115.22 116.02 2ivx n HIS 112 Ca -0.31 -3.36 0.14 0.00 -0.26 0.00 0.00 57.72 53.93 2ivx n HIS 112 Cb 1.05 -0.31 0.60 0.00 1.12 0.00 0.00 29.99 32.44 2ivx n HIS 112 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ivx h PRO 113 N 2.86 0.17 -0.21 -0.41 0.13 -1.61 -2.19 132.00 130.73 2ivx h PRO 113 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2ivx h PRO 113 Cb 0.90 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2ivx h PRO 113 CO 0.69 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.85 2ivx n LEU 114 N -4.45 2.73 -4.89 1.56 4.77 -1.26 -4.91 117.00 110.55 2ivx n LEU 114 Ca 0.07 -1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 54.68 2ivx n LEU 114 Cb 0.40 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2ivx n LEU 114 CO 0.35 0.54 0.60 -1.61 -1.33 0.00 0.00 177.39 175.95 2ivx s GLU 115 N -1.74 3.33 0.85 3.23 0.41 -0.82 -5.06 118.70 118.90 2ivx s GLU 115 Ca 0.35 0.39 -0.11 0.00 -0.41 0.00 0.00 54.97 55.19 2ivx s GLU 115 Cb 0.21 -2.20 0.10 0.00 -1.78 0.00 0.00 34.13 30.46 2ivx s GLU 115 CO 0.30 -0.56 1.09 -2.14 -0.49 0.00 0.00 175.26 173.47 2ivx s PRO 116 N -5.04 1.66 0.67 0.39 0.02 -1.26 -4.96 135.00 126.47 2ivx s PRO 116 Ca 0.53 0.96 -0.16 0.00 0.02 0.00 0.00 61.00 62.35 2ivx s PRO 116 Cb -0.11 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2ivx s PRO 116 CO 0.49 -2.00 1.20 -0.51 -0.33 0.00 0.00 177.00 175.85 2ivx s LEU 117 N -6.10 3.46 0.32 -5.54 1.43 -1.26 -4.94 118.68 106.04 2ivx s LEU 117 Ca 0.62 2.34 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 2ivx s LEU 117 Cb -0.18 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.35 2ivx s LEU 117 CO 0.57 -1.94 1.26 -0.76 0.23 0.00 0.00 176.35 175.71 2ivx s LEU 118 N -4.71 4.45 -0.50 1.79 1.43 -1.26 -4.99 118.68 114.89 2ivx s LEU 118 Ca 0.75 2.59 -0.20 0.00 -1.03 0.00 0.00 54.13 56.24 2ivx s LEU 118 Cb -0.29 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.34 2ivx s LEU 118 CO 0.40 -0.45 0.64 -0.62 0.23 0.00 0.00 176.35 176.55 2ivx s ASP 119 N -0.53 6.24 0.00 2.29 -1.08 -1.26 -4.94 116.67 117.38 2ivx s ASP 119 Ca 0.48 -0.82 0.16 0.00 -0.52 0.00 0.00 52.55 51.85 2ivx s ASP 119 Cb -0.38 -2.30 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 2ivx s ASP 119 CO 0.50 -0.89 1.50 0.35 0.52 0.00 0.00 175.17 177.15 2ivx n THR 120 N 5.67 0.81 1.04 1.71 -2.24 -1.26 -2.36 114.28 117.64 2ivx n THR 120 Ca -0.06 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 2ivx n THR 120 Cb 0.46 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.80 2ivx n THR 120 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ivx n LYS 121 N -1.45 0.66 -2.81 -0.78 4.01 -1.26 -4.68 118.16 111.85 2ivx n LYS 121 Ca 0.05 -0.52 -0.30 0.00 -0.51 0.00 0.00 58.31 57.03 2ivx n LYS 121 Cb 0.17 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.17 2ivx n LYS 121 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ivx h ASP 123 N 1.17 0.69 -0.53 0.00 5.19 -1.94 -1.97 116.42 119.04 2ivx h ASP 123 Ca -0.47 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 55.87 2ivx h ASP 123 Cb 1.19 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 2ivx h ASP 123 CO 0.64 0.55 0.24 0.00 -3.12 0.00 0.00 179.24 177.54 2ivx h ALA 124 N 1.57 0.68 -0.51 3.45 0.00 -1.94 -0.29 119.26 122.23 2ivx h ALA 124 Ca 0.21 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ivx h ALA 124 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ivx h ALA 124 CO -0.04 0.26 0.09 -0.92 0.00 0.00 0.00 179.25 178.64 2ivx h TYR 125 N 0.70 0.88 -0.71 0.00 3.20 -1.71 -2.14 116.97 117.19 2ivx h TYR 125 Ca 0.18 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2ivx h TYR 125 Cb 0.14 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2ivx h TYR 125 CO -0.00 0.80 0.35 -0.07 -1.64 0.00 0.00 178.16 177.59 2ivx h LEU 126 N 0.71 0.93 -1.29 2.82 3.38 -1.13 -1.80 115.31 118.93 2ivx h LEU 126 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ivx h LEU 126 Cb 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2ivx h LEU 126 CO 0.01 0.80 -0.17 1.56 0.09 0.00 0.00 178.44 180.73 2ivx h GLN 127 N 1.00 0.27 -0.00 1.13 1.08 -0.91 -0.86 115.11 116.81 2ivx h GLN 127 Ca 0.25 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.20 2ivx h GLN 127 Cb 0.11 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2ivx h GLN 127 CO -0.03 0.44 -0.79 -0.56 -0.95 0.00 0.00 178.83 176.95 2ivx h GLN 128 N 0.26 0.05 -0.54 1.46 3.07 -1.00 -0.99 115.11 117.40 2ivx h GLN 128 Ca 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2ivx h GLN 128 Cb 0.45 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.00 2ivx h GLN 128 CO 0.03 0.81 0.17 1.79 0.09 0.00 0.00 178.83 181.71 2ivx h THR 129 N 0.03 1.24 -0.41 1.86 1.35 -0.84 -1.74 112.91 114.38 2ivx h THR 129 Ca -0.01 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.01 2ivx h THR 129 Cb 1.38 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 2ivx h THR 129 CO 0.11 0.30 0.12 0.03 -0.25 0.00 0.00 175.52 175.82 2ivx h ARG 130 N 0.75 0.65 -0.33 4.72 -0.00 -1.07 -2.36 114.38 116.74 2ivx h ARG 130 Ca 0.17 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2ivx h ARG 130 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 2ivx h ARG 130 CO -0.01 0.65 0.20 1.49 0.00 0.00 0.00 179.97 182.30 2ivx h GLU 131 N 0.53 0.46 -0.68 0.04 4.81 -1.09 -1.89 114.58 116.76 2ivx h GLU 131 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2ivx h GLU 131 Cb 0.28 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2ivx h GLU 131 CO -0.00 0.36 0.37 -0.07 -0.73 0.00 0.00 179.01 178.93 2ivx h LEU 132 N 0.43 0.85 -0.65 1.64 3.38 -1.27 0.27 115.31 119.97 2ivx h LEU 132 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ivx h LEU 132 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2ivx h LEU 132 CO -0.02 0.71 0.40 0.58 0.09 0.00 0.00 178.44 180.20 2ivx h VAL 133 N 0.93 1.18 -0.36 1.22 2.07 -1.23 0.03 116.25 120.09 2ivx h VAL 133 Ca 0.24 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2ivx h VAL 133 Cb 0.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2ivx h VAL 133 CO -0.04 0.18 0.18 0.40 0.02 0.00 0.00 177.57 178.32 2ivx h ILE 134 N 0.88 1.16 -0.21 4.57 2.04 -0.79 -2.94 117.51 122.20 2ivx h ILE 134 Ca 0.23 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2ivx h ILE 134 Cb -0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2ivx h ILE 134 CO -0.05 0.16 -0.11 -0.07 0.00 0.00 0.00 178.15 178.08 2ivx h LEU 135 N 0.45 0.33 -0.53 1.44 3.38 -0.20 -2.08 115.31 118.09 2ivx h LEU 135 Ca 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ivx h LEU 135 Cb 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2ivx h LEU 135 CO -0.02 0.48 0.35 -0.08 0.09 0.00 0.00 178.44 179.26 2ivx h GLU 136 N 0.33 0.69 -0.43 1.13 4.81 -0.82 0.24 114.58 120.52 2ivx h GLU 136 Ca 0.07 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2ivx h GLU 136 Cb 0.41 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ivx h GLU 136 CO 0.02 0.46 -0.16 1.15 -0.73 0.00 0.00 179.01 179.75 2ivx h THR 137 N 0.71 1.28 -0.50 0.32 2.02 -1.37 -0.21 112.91 115.15 2ivx h THR 137 Ca 0.20 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 66.11 2ivx h THR 137 Cb -0.07 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2ivx h THR 137 CO -0.05 0.44 0.31 0.40 0.37 0.00 0.00 175.52 176.99 2ivx h ILE 138 N 0.69 1.08 -0.22 3.11 2.04 -1.13 -0.83 117.51 122.26 2ivx h ILE 138 Ca 0.10 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2ivx h ILE 138 Cb 0.71 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2ivx h ILE 138 CO 0.05 0.12 0.13 -0.03 0.00 0.00 0.00 178.15 178.42 2ivx h MET 139 N 0.63 0.29 -0.38 2.37 4.05 -0.28 0.13 114.93 121.73 2ivx h MET 139 Ca 0.20 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 2ivx h MET 139 Cb -0.02 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 2ivx h MET 139 CO -0.07 0.22 0.20 -0.07 0.23 0.00 0.00 176.91 177.42 2ivx h LEU 140 N 0.27 0.30 -0.47 3.39 3.38 -0.82 0.35 115.31 121.71 2ivx h LEU 140 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2ivx h LEU 140 Cb 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2ivx h LEU 140 CO -0.02 0.22 0.27 1.56 0.09 0.00 0.00 178.44 180.56 2ivx h GLN 141 N 0.40 0.65 -0.89 1.13 4.20 -1.00 -0.50 115.11 119.09 2ivx h GLN 141 Ca 0.16 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2ivx h GLN 141 Cb 0.06 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 2ivx h GLN 141 CO -0.10 0.50 0.58 1.15 -0.67 0.00 0.00 178.83 180.28 2ivx h THR 142 N 0.62 1.16 0.00 -0.54 2.02 -0.33 -2.09 112.91 113.75 2ivx h THR 142 Ca 0.17 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2ivx h THR 142 Cb 0.03 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 2ivx h THR 142 CO -0.03 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.25 2ivx n LEU 143 N -4.51 0.00 -1.41 2.58 4.77 0.08 -4.88 117.00 113.62 2ivx n LEU 143 Ca 0.11 0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 2ivx n LEU 143 Cb 0.08 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2ivx n LEU 143 CO 0.34 -0.05 -0.17 0.61 -1.33 0.00 0.00 177.39 176.80 2ivx n GLY 144 N 0.66 0.57 2.39 -0.72 0.00 -0.79 -1.84 105.19 105.47 2ivx n GLY 144 Ca 0.13 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2ivx n GLY 144 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ivx n PHE 145 N -3.35 -0.71 -3.02 1.61 3.01 -0.24 -4.92 117.46 109.85 2ivx n PHE 145 Ca -0.16 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.85 2ivx n PHE 145 Cb 0.56 -3.35 -0.02 0.00 -0.01 0.00 0.00 39.48 36.67 2ivx n PHE 145 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2ivx s GLU 146 N -4.36 3.74 0.04 -1.08 2.12 -0.77 -4.79 118.70 113.61 2ivx s GLU 146 Ca 0.00 -2.14 0.22 0.00 0.36 0.00 0.00 54.97 53.42 2ivx s GLU 146 Cb 0.00 -4.85 -0.11 0.00 0.26 0.00 0.00 34.13 29.43 2ivx s GLU 146 CO 0.00 -1.66 0.85 0.44 -0.54 0.00 0.00 175.26 174.35 2ivx n ILE 147 N 4.90 0.16 -2.79 -3.70 -5.35 -1.26 -4.85 119.36 106.47 2ivx n ILE 147 Ca 0.25 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 2ivx n ILE 147 Cb 0.47 0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.50 2ivx n ILE 147 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2ivx s THR 148 N -3.29 4.56 -0.10 7.28 2.01 -1.26 -5.01 115.64 119.82 2ivx s THR 148 Ca 0.00 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.24 2ivx s THR 148 Cb 0.14 -4.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2ivx s THR 148 CO 0.84 -0.56 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 2ivx s ILE 149 N 3.53 3.07 -0.13 1.82 -1.09 -1.26 -5.12 121.20 122.02 2ivx s ILE 149 Ca 0.39 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 2ivx s ILE 149 Cb -0.12 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 2ivx s ILE 149 CO 0.19 0.55 0.23 -1.61 -1.23 0.00 0.00 174.94 173.06 2ivx s GLU 150 N -0.01 3.92 0.18 2.79 2.02 -1.26 -5.02 118.70 121.32 2ivx s GLU 150 Ca -0.04 0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.06 2ivx s GLU 150 Cb -0.14 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2ivx s GLU 150 CO 0.04 0.50 -0.16 -1.01 0.02 0.00 0.00 175.26 174.65 2ivx s HIS 151 N -0.30 2.49 0.55 1.61 3.76 -1.26 -4.78 115.29 117.36 2ivx s HIS 151 Ca 0.15 -0.28 0.22 0.00 -0.15 0.00 0.00 55.06 55.01 2ivx s HIS 151 Cb -0.13 -1.24 1.52 0.00 1.11 0.00 0.00 32.58 33.84 2ivx s HIS 151 CO 0.04 0.49 2.19 -1.00 -0.85 0.00 0.00 174.74 175.61 2ivx h PRO 152 N 3.15 0.00 -0.89 8.40 0.13 -1.95 -3.19 132.00 137.65 2ivx h PRO 152 Ca -0.47 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 2ivx h PRO 152 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2ivx h PRO 152 CO 0.50 0.00 0.52 0.45 -0.23 0.00 0.00 178.00 179.24 2ivx h HIS 153 N 0.00 0.93 -0.60 1.56 3.86 -1.93 0.68 115.15 119.66 2ivx h HIS 153 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2ivx h HIS 153 Cb 0.05 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 2ivx h HIS 153 CO 0.00 0.34 0.20 1.79 0.86 0.00 0.00 177.93 181.12 2ivx h THR 154 N 0.81 1.24 -0.29 2.45 1.35 -1.97 -0.75 112.91 115.76 2ivx h THR 154 Ca 0.45 -0.80 -0.12 0.00 -0.55 0.00 0.00 66.41 65.40 2ivx h THR 154 Cb 0.50 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2ivx h THR 154 CO -0.29 0.30 -0.31 0.44 -0.25 0.00 0.00 175.52 175.41 2ivx h ASP 155 N 0.84 0.62 0.01 5.36 3.32 -1.53 -2.62 116.42 122.42 2ivx h ASP 155 Ca 0.19 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ivx h ASP 155 Cb 0.27 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2ivx h ASP 155 CO -0.01 0.90 -0.00 0.58 -1.72 0.00 0.00 179.24 178.98 2ivx h VAL 156 N 0.51 1.04 -0.29 -1.35 2.07 -0.45 -1.97 116.25 115.81 2ivx h VAL 156 Ca 0.06 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2ivx h VAL 156 Cb 0.79 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2ivx h VAL 156 CO 0.07 0.04 0.08 0.58 0.02 0.00 0.00 177.57 178.35 2ivx h VAL 157 N -0.07 1.21 -0.23 2.57 2.07 -1.17 -0.50 116.25 120.14 2ivx h VAL 157 Ca -0.00 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2ivx h VAL 157 Cb 0.07 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2ivx h VAL 157 CO 0.00 0.23 -0.15 0.11 0.02 0.00 0.00 177.57 177.78 2ivx h LYS 158 N 0.31 -0.13 -0.44 1.57 1.57 -1.47 -1.81 116.57 116.17 2ivx h LYS 158 Ca 0.09 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2ivx h LYS 158 Cb 0.27 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2ivx h LYS 158 CO -0.00 -0.09 0.03 0.00 -0.57 0.00 0.00 179.45 178.82 2ivx h THR 160 N 0.60 1.25 -0.29 0.00 1.35 -0.90 -0.54 112.91 114.38 2ivx h THR 160 Ca 0.13 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.79 2ivx h THR 160 Cb 0.45 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2ivx h THR 160 CO 0.02 0.38 0.06 1.56 -0.25 0.00 0.00 175.52 177.29 2ivx h GLN 161 N 0.45 0.47 -0.03 4.72 4.20 -1.28 -1.16 115.11 122.49 2ivx h GLN 161 Ca 0.07 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2ivx h GLN 161 Cb 0.60 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2ivx h GLN 161 CO 0.04 0.56 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.21 2ivx h LEU 162 N 0.30 0.07 -1.28 1.46 3.38 -0.87 -2.73 115.31 115.63 2ivx h LEU 162 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ivx h LEU 162 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ivx h LEU 162 CO 0.00 0.54 0.00 1.33 0.09 0.00 0.00 178.44 180.40 2ivx n VAL 163 N -3.96 0.41 -3.75 1.22 0.24 -0.26 -4.94 118.33 107.29 2ivx n VAL 163 Ca -0.02 -0.45 -0.24 0.00 -2.04 0.00 0.00 64.34 61.59 2ivx n VAL 163 Cb 0.51 0.28 0.04 0.00 -1.47 0.00 0.00 33.84 33.20 2ivx n VAL 163 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2ivx n ARG 164 N 0.50 -5.48 -1.73 7.34 1.74 -1.03 -4.93 116.66 113.06 2ivx n ARG 164 Ca 0.13 0.65 -0.40 0.00 -0.77 0.00 0.00 57.85 57.46 2ivx n ARG 164 Cb 0.31 -5.38 0.02 0.00 -1.02 0.00 0.00 32.46 26.39 2ivx n ARG 164 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ivx n ALA 165 N -4.46 1.64 -0.64 7.54 0.00 -0.46 -5.00 120.51 119.12 2ivx n ALA 165 Ca -0.16 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2ivx n ALA 165 Cb 0.62 -2.33 0.20 0.00 0.00 0.00 0.00 19.45 17.94 2ivx n ALA 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ivx s SER 166 N -0.59 2.05 0.14 0.00 1.04 -1.26 -4.77 113.70 110.32 2ivx s SER 166 Ca 0.63 1.87 -0.20 0.00 0.48 0.00 0.00 55.95 58.74 2ivx s SER 166 Cb -0.46 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.23 2ivx s SER 166 CO 0.56 -3.59 1.68 0.11 0.98 0.00 0.00 173.24 172.97 2ivx h LYS 167 N -2.21 -0.07 -0.46 4.02 1.57 -1.99 -0.75 116.57 116.68 2ivx h LYS 167 Ca -0.52 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 2ivx h LYS 167 Cb 1.30 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 2ivx h LYS 167 CO 0.46 -0.04 0.22 -0.44 -0.57 0.00 0.00 179.45 179.08 2ivx h ASP 168 N -0.07 0.31 -0.43 0.86 3.45 -1.99 -0.56 116.42 118.00 2ivx h ASP 168 Ca 0.13 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 2ivx h ASP 168 Cb 0.27 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 2ivx h ASP 168 CO -0.30 0.22 0.20 0.25 -1.57 0.00 0.00 179.24 178.04 2ivx h LEU 169 N 0.44 0.56 -0.37 1.55 5.85 -1.83 0.49 115.31 122.01 2ivx h LEU 169 Ca 0.20 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ivx h LEU 169 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2ivx h LEU 169 CO -0.15 0.54 0.22 0.00 -0.34 0.00 0.00 178.44 178.70 2ivx h ALA 170 N 1.05 0.47 -0.46 1.25 0.00 -0.83 -1.32 119.26 119.41 2ivx h ALA 170 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ivx h ALA 170 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ivx h ALA 170 CO -0.02 -0.02 0.14 1.96 0.00 0.00 0.00 179.25 181.30 2ivx h GLN 171 N 0.48 0.73 -0.69 0.00 4.20 -0.95 -1.67 115.11 117.20 2ivx h GLN 171 Ca 0.13 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2ivx h GLN 171 Cb 0.02 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2ivx h GLN 171 CO -0.02 0.70 0.33 1.15 -0.67 0.00 0.00 178.83 180.32 2ivx h THR 172 N 0.62 1.23 -0.29 -0.54 2.02 -0.74 0.63 112.91 115.84 2ivx h THR 172 Ca 0.15 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2ivx h THR 172 Cb 0.29 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2ivx h THR 172 CO -0.00 0.27 0.05 0.28 0.37 0.00 0.00 175.52 176.49 2ivx h SER 173 N 0.97 0.47 -0.40 4.18 0.02 -1.05 -1.22 113.55 116.51 2ivx h SER 173 Ca 0.24 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2ivx h SER 173 Cb 0.13 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2ivx h SER 173 CO -0.03 0.61 0.14 0.22 -1.14 0.00 0.00 176.83 176.63 2ivx h TYR 174 N 0.31 0.63 -0.76 3.45 3.20 -1.13 -1.94 116.97 120.73 2ivx h TYR 174 Ca 0.09 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2ivx h TYR 174 Cb 0.34 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 2ivx h TYR 174 CO 0.02 0.58 0.41 0.35 -1.64 0.00 0.00 178.16 177.88 2ivx h PHE 175 N 0.51 0.75 -0.35 -3.82 3.57 -0.71 -1.66 116.94 115.23 2ivx h PHE 175 Ca 0.13 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2ivx h PHE 175 Cb 0.23 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2ivx h PHE 175 CO 0.01 0.30 -0.26 0.52 -2.23 0.00 0.00 178.31 176.65 2ivx h MET 176 N 0.71 0.70 -0.55 1.11 2.86 -0.99 0.35 114.93 119.11 2ivx h MET 176 Ca 0.36 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2ivx h MET 176 Cb 0.33 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2ivx h MET 176 CO -0.24 0.89 0.32 0.00 1.06 0.00 0.00 176.91 178.94 2ivx h ALA 177 N 1.10 0.71 -0.19 6.32 0.00 -0.59 0.20 119.26 126.81 2ivx h ALA 177 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2ivx h ALA 177 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ivx h ALA 177 CO 0.06 0.02 0.01 1.15 0.00 0.00 0.00 179.25 180.49 2ivx h THR 178 N 0.62 1.24 -0.62 0.00 2.02 -0.99 -2.56 112.91 112.62 2ivx h THR 178 Ca 0.23 -0.81 0.10 0.00 0.77 0.00 0.00 66.41 66.70 2ivx h THR 178 Cb 0.06 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2ivx h THR 178 CO -0.12 0.25 0.42 0.78 0.37 0.00 0.00 175.52 177.22 2ivx h ASN 179 N 0.10 0.39 -0.69 4.18 2.35 -0.63 -1.95 115.58 119.34 2ivx h ASN 179 Ca 0.06 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2ivx h ASN 179 Cb 0.36 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2ivx h ASN 179 CO 0.01 0.23 0.25 0.77 -1.65 0.00 0.00 177.43 177.04 2ivx h SER 180 N 0.43 0.99 -0.25 5.81 4.64 -0.21 -1.06 113.55 123.91 2ivx h SER 180 Ca 0.29 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2ivx h SER 180 Cb 0.55 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2ivx h SER 180 CO -0.08 0.91 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.37 2ivx h LEU 181 N 1.04 0.73 -0.53 5.97 3.38 -1.14 -1.91 115.31 122.85 2ivx h LEU 181 Ca 0.23 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2ivx h LEU 181 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2ivx h LEU 181 CO -0.01 1.09 0.19 0.45 0.09 0.00 0.00 178.44 180.25 2ivx h HIS 182 N 0.39 0.82 0.00 1.13 3.86 -1.28 -3.39 115.15 116.68 2ivx h HIS 182 Ca 0.03 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2ivx h HIS 182 Cb 0.92 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2ivx h HIS 182 CO 0.08 0.69 -1.16 1.28 0.86 0.00 0.00 177.93 179.68 2ivx n LEU 183 N -4.50 0.15 -4.59 2.43 4.77 -0.41 -4.05 117.00 110.80 2ivx n LEU 183 Ca 0.02 -0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.57 2ivx n LEU 183 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2ivx n LEU 183 CO 0.39 0.04 -0.26 0.42 -1.33 0.00 0.00 177.39 176.64 2ivx s THR 184 N -2.48 1.37 -0.31 -5.08 -4.23 -0.72 -4.96 115.64 99.23 2ivx s THR 184 Ca -0.01 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 2ivx s THR 184 Cb 0.07 -2.65 0.61 0.00 1.34 0.00 0.00 72.50 71.87 2ivx s THR 184 CO 0.43 0.00 1.65 0.35 -0.54 0.00 0.00 174.62 176.51 2ivx n THR 185 N -0.95 2.75 -0.12 3.99 -2.24 -1.26 -4.70 114.28 111.75 2ivx n THR 185 Ca -0.08 -2.12 0.16 0.00 -2.27 0.00 0.00 64.05 59.74 2ivx n THR 185 Cb 0.67 -0.35 0.55 0.00 -2.10 0.00 0.00 70.33 69.09 2ivx n THR 185 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2ivx h PHE 186 N 1.60 0.37 0.00 4.78 0.04 -1.95 -1.55 116.94 120.23 2ivx h PHE 186 Ca 0.28 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.06 2ivx h PHE 186 Cb 2.06 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 40.09 2ivx h PHE 186 CO 1.12 0.15 0.00 0.00 -0.60 0.00 0.00 178.31 178.98 2ivx n LEU 188 N -2.80 1.97 0.00 0.00 4.77 -0.59 -4.61 117.00 115.75 2ivx n LEU 188 Ca -0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2ivx n LEU 188 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ivx n LEU 188 CO 0.21 0.35 -0.50 0.00 -1.33 0.00 0.00 177.39 176.12 2ivx n GLN 189 N 0.24 0.00 -4.20 3.23 6.02 -0.49 -0.35 117.38 121.84 2ivx n GLN 189 Ca 0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.93 2ivx n GLN 189 Cb 0.46 -0.97 -0.12 0.00 1.02 0.00 0.00 30.24 30.62 2ivx n GLN 189 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2ivx s TYR 190 N -2.00 1.30 0.60 1.08 2.02 -0.12 -4.72 117.35 115.51 2ivx s TYR 190 Ca 0.00 -0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.06 2ivx s TYR 190 Cb 0.00 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 2ivx s TYR 190 CO 0.00 0.08 1.27 0.15 -1.57 0.00 0.00 175.55 175.47 2ivx s LYS 191 N -1.74 2.87 0.38 -0.62 3.01 -1.26 -4.66 119.74 117.72 2ivx s LYS 191 Ca -0.01 1.99 0.13 0.00 -1.01 0.00 0.00 55.97 57.07 2ivx s LYS 191 Cb -0.10 -1.97 0.94 0.00 -1.01 0.00 0.00 37.83 35.69 2ivx s LYS 191 CO 0.03 -1.33 1.86 -1.00 0.51 0.00 0.00 175.35 175.42 2ivx h PRO 192 N 0.90 0.54 -0.91 -1.68 0.13 -1.92 -1.14 132.00 127.92 2ivx h PRO 192 Ca -0.51 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2ivx h PRO 192 Cb 1.31 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2ivx h PRO 192 CO 0.55 0.36 0.54 1.79 -0.23 0.00 0.00 178.00 181.01 2ivx h THR 193 N 0.56 1.25 -0.15 1.56 1.35 -1.90 0.66 112.91 116.25 2ivx h THR 193 Ca 0.46 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2ivx h THR 193 Cb 0.92 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2ivx h THR 193 CO -0.20 0.27 0.07 0.58 -0.25 0.00 0.00 175.52 175.99 2ivx h VAL 194 N 1.27 1.13 -0.32 6.82 2.07 -1.56 -2.27 116.25 123.39 2ivx h VAL 194 Ca 0.33 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2ivx h VAL 194 Cb -0.04 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2ivx h VAL 194 CO -0.06 0.12 -0.15 0.40 0.02 0.00 0.00 177.57 177.90 2ivx h ILE 195 N 0.11 1.25 -0.48 4.57 1.08 -1.23 -1.24 117.51 121.57 2ivx h ILE 195 Ca 0.05 -1.12 0.05 0.00 -0.39 0.00 0.00 64.86 63.46 2ivx h ILE 195 Cb 0.13 1.17 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 2ivx h ILE 195 CO -0.01 0.37 0.22 0.00 -0.69 0.00 0.00 178.15 178.04 2ivx h ALA 196 N 1.33 0.60 -0.52 1.87 0.00 -0.72 -1.07 119.26 120.75 2ivx h ALA 196 Ca 0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2ivx h ALA 196 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ivx h ALA 196 CO 0.04 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.30 2ivx h VAL 198 N 0.71 0.73 -0.33 0.00 2.07 -0.77 0.11 116.25 118.76 2ivx h VAL 198 Ca 0.17 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2ivx h VAL 198 Cb 0.26 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2ivx h VAL 198 CO -0.01 0.05 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 2ivx h ILE 200 N 0.41 1.26 -0.24 0.00 2.04 -1.16 -1.51 117.51 118.31 2ivx h ILE 200 Ca 0.09 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2ivx h ILE 200 Cb 0.52 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2ivx h ILE 200 CO 0.03 0.41 0.14 -0.74 0.00 0.00 0.00 178.15 177.98 2ivx h HIS 201 N 0.98 0.33 -0.36 1.37 2.76 -0.60 0.18 115.15 119.82 2ivx h HIS 201 Ca 0.18 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2ivx h HIS 201 Cb 0.51 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 2ivx h HIS 201 CO 0.04 0.28 0.20 1.25 -1.30 0.00 0.00 177.93 178.39 2ivx h LEU 202 N 0.29 0.31 -0.67 0.26 6.46 -1.07 -1.20 115.31 119.69 2ivx h LEU 202 Ca 0.09 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 2ivx h LEU 202 Cb 0.06 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2ivx h LEU 202 CO -0.01 0.23 0.44 0.00 -0.62 0.00 0.00 178.44 178.47 2ivx h ALA 203 N 1.17 0.85 -0.22 1.25 0.00 -1.00 -0.85 119.26 120.46 2ivx h ALA 203 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ivx h ALA 203 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ivx h ALA 203 CO -0.08 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.58 2ivx h LYS 205 N 0.27 1.08 -0.57 0.00 1.57 -0.94 0.41 116.57 118.39 2ivx h LYS 205 Ca 0.08 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2ivx h LYS 205 Cb 0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2ivx h LYS 205 CO -0.02 0.90 0.09 2.35 -0.57 0.00 0.00 179.45 182.21 2ivx h TRP 206 N 1.05 0.96 -0.11 -1.35 2.91 -1.03 -2.77 115.95 115.61 2ivx h TRP 206 Ca 0.24 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2ivx h TRP 206 Cb 0.25 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 2ivx h TRP 206 CO 0.02 0.82 0.00 0.43 -1.03 0.00 0.00 178.44 178.68 2ivx n SER 207 N -4.24 1.70 -4.05 2.65 7.64 -0.60 -4.94 113.62 111.77 2ivx n SER 207 Ca 0.04 -1.64 -0.32 0.00 1.01 0.00 0.00 58.87 57.96 2ivx n SER 207 Cb 0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2ivx n SER 207 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ivx n ASN 208 N 0.33 -3.77 -4.73 6.43 3.02 -0.04 -4.96 115.26 111.54 2ivx n ASN 208 Ca 0.17 -0.90 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 2ivx n ASN 208 Cb 0.36 -3.34 -0.08 0.00 -0.61 0.00 0.00 39.78 36.10 2ivx n ASN 208 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2ivx s TRP 209 N -3.35 3.38 -0.15 3.10 -0.11 -0.21 -5.04 118.94 116.56 2ivx s TRP 209 Ca 0.64 0.28 0.01 0.00 1.22 0.00 0.00 56.10 58.25 2ivx s TRP 209 Cb -0.33 -2.06 0.01 0.00 -1.50 0.00 0.00 33.47 29.58 2ivx s TRP 209 CO 0.88 0.35 -0.19 -2.00 -4.62 0.00 0.00 176.95 171.37 2ivx s GLU 210 N -0.03 3.10 -0.25 5.86 -6.30 -1.26 -4.54 118.70 115.27 2ivx s GLU 210 Ca 0.08 -0.81 -0.19 0.00 -2.50 0.00 0.00 54.97 51.56 2ivx s GLU 210 Cb -0.12 -2.54 -0.02 0.00 0.00 0.00 0.00 34.13 31.45 2ivx s GLU 210 CO 0.00 -0.04 0.55 0.42 0.02 0.00 0.00 175.26 176.22 2ivx s ILE 211 N 0.91 5.04 0.64 -3.70 1.01 -1.26 -5.05 121.20 118.80 2ivx s ILE 211 Ca -0.04 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.40 2ivx s ILE 211 Cb -0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2ivx s ILE 211 CO -0.03 0.07 1.08 -2.65 0.00 0.00 0.00 174.94 173.42 2ivx n PRO 212 N 5.54 0.90 -1.56 2.79 -0.02 -1.26 -4.75 135.00 136.64 2ivx n PRO 212 Ca -0.03 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 2ivx n PRO 212 Cb 0.49 -2.31 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2ivx n PRO 212 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ivx s VAL 213 N -1.52 3.53 0.92 -1.45 -7.23 -1.26 -4.57 120.40 108.83 2ivx s VAL 213 Ca 0.79 0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 61.40 2ivx s VAL 213 Cb -0.39 -3.13 0.19 0.00 0.56 0.00 0.00 36.38 33.61 2ivx s VAL 213 CO 0.45 -0.57 1.27 -0.94 -0.31 0.00 0.00 175.10 174.99 2ivx s SER 214 N -3.21 3.28 0.62 4.85 1.04 -0.81 -4.89 113.70 114.58 2ivx s SER 214 Ca 0.62 0.11 0.39 0.00 0.48 0.00 0.00 55.95 57.56 2ivx s SER 214 Cb -0.17 -0.19 2.05 0.00 0.10 0.00 0.00 66.02 67.81 2ivx s SER 214 CO 0.50 -2.61 2.25 0.71 0.98 0.00 0.00 173.24 175.06 2ivx h THR 215 N -1.46 0.10 -0.71 2.02 1.35 -1.97 -0.78 112.91 111.46 2ivx h THR 215 Ca -0.43 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2ivx h THR 215 Cb 1.24 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2ivx h THR 215 CO 0.37 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 174.75 2ivx n ASP 216 N -3.20 4.26 0.00 5.36 5.68 -1.26 -4.97 116.55 122.42 2ivx n ASP 216 Ca -0.02 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 2ivx n ASP 216 Cb 0.14 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 2ivx n ASP 216 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ivx n GLY 217 N 1.47 0.92 3.74 6.12 0.00 -0.30 -5.01 105.19 112.13 2ivx n GLY 217 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2ivx n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ivx s LYS 218 N -0.05 4.29 0.51 1.61 1.02 -1.26 -4.64 119.74 121.22 2ivx s LYS 218 Ca 0.00 2.25 -0.18 0.00 0.02 0.00 0.00 55.97 58.06 2ivx s LYS 218 Cb 0.00 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.11 2ivx s LYS 218 CO 0.00 -0.39 1.01 -1.01 -0.92 0.00 0.00 175.35 174.04 2ivx s HIS 219 N 0.05 3.20 0.31 3.18 3.76 -1.26 -1.93 115.29 122.60 2ivx s HIS 219 Ca 0.59 1.53 0.05 0.00 -0.15 0.00 0.00 55.06 57.08 2ivx s HIS 219 Cb -0.41 -2.92 0.69 0.00 1.11 0.00 0.00 32.58 31.05 2ivx s HIS 219 CO 0.42 -0.61 1.82 0.11 -0.85 0.00 0.00 174.74 175.63 2ivx h TRP 220 N 1.15 1.05 0.00 1.40 5.08 -1.85 -0.95 115.95 121.83 2ivx h TRP 220 Ca -0.48 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 2ivx h TRP 220 Cb 1.20 -0.33 -0.00 0.00 -3.00 0.00 0.00 29.16 27.03 2ivx h TRP 220 CO 0.60 0.33 -0.08 0.11 -1.28 0.00 0.00 178.44 178.13 2ivx h TRP 221 N 0.84 0.00 0.00 0.12 0.09 -1.94 -2.40 115.95 112.66 2ivx h TRP 221 Ca 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.50 2ivx h TRP 221 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.96 2ivx h TRP 221 CO -0.00 0.08 -0.05 0.93 0.09 0.00 0.00 178.44 179.49 2ivx h GLU 222 N 0.00 0.00 0.00 0.12 5.08 -1.36 -1.01 114.58 117.41 2ivx h GLU 222 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ivx h GLU 222 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ivx h GLU 222 CO 0.01 0.05 -0.10 0.66 -1.00 0.00 0.00 179.01 178.63 2ivx n TYR 223 N -3.21 0.64 -0.12 4.33 4.02 -0.90 -4.19 117.16 117.71 2ivx n TYR 223 Ca -0.01 0.18 -0.22 0.00 -0.01 0.00 0.00 57.90 57.85 2ivx n TYR 223 Cb 0.27 -0.78 -0.10 0.00 -0.02 0.00 0.00 39.34 38.71 2ivx n TYR 223 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2ivx n VAL 224 N -2.04 1.38 -3.72 -0.72 0.31 -0.70 -4.98 118.33 107.87 2ivx n VAL 224 Ca 0.06 -0.43 -0.16 0.00 -0.01 0.00 0.00 64.34 63.79 2ivx n VAL 224 Cb 0.41 -1.61 -0.16 0.00 -0.91 0.00 0.00 33.84 31.56 2ivx n VAL 224 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ivx s ASP 225 N -6.84 0.42 0.34 4.52 -1.08 -0.47 -4.88 116.67 108.68 2ivx s ASP 225 Ca -0.34 0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.14 2ivx s ASP 225 Cb 0.11 0.06 1.02 0.00 -1.46 0.00 0.00 42.92 42.64 2ivx s ASP 225 CO 0.50 -0.19 1.79 1.55 0.52 0.00 0.00 175.17 179.33 2ivx h PRO 226 N 7.78 0.00 0.00 4.34 0.13 -1.84 -3.24 132.00 139.18 2ivx h PRO 226 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 2ivx h PRO 226 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2ivx h PRO 226 CO 0.32 0.00 -2.08 0.25 -0.23 0.00 0.00 178.00 176.26 2ivx n THR 227 N -2.51 0.59 -1.76 1.56 -2.24 -1.26 -4.99 114.28 103.66 2ivx n THR 227 Ca 0.02 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.75 2ivx n THR 227 Cb 0.30 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 2ivx n THR 227 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ivx n VAL 228 N -2.48 1.70 -4.44 2.28 0.31 -1.22 -5.04 118.33 109.43 2ivx n VAL 228 Ca -0.15 -0.43 -0.23 0.00 -0.01 0.00 0.00 64.34 63.53 2ivx n VAL 228 Cb 0.80 -1.92 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 2ivx n VAL 228 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ivx s THR 229 N -0.78 2.33 0.26 2.52 -4.23 -1.26 -4.87 115.64 109.61 2ivx s THR 229 Ca 0.57 -2.35 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2ivx s THR 229 Cb -0.49 -2.24 0.26 0.00 1.34 0.00 0.00 72.50 71.37 2ivx s THR 229 CO 0.59 -0.42 1.88 0.25 -0.54 0.00 0.00 174.62 176.39 2ivx h LEU 230 N 2.39 1.03 -0.66 4.79 5.85 -1.99 -1.24 115.31 125.48 2ivx h LEU 230 Ca -0.40 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2ivx h LEU 230 Cb 1.25 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 2ivx h LEU 230 CO 0.60 0.67 0.39 -0.33 -0.34 0.00 0.00 178.44 179.43 2ivx h GLU 231 N 1.18 0.72 -0.43 1.25 3.07 -1.99 -0.22 114.58 118.16 2ivx h GLU 231 Ca 0.42 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.18 2ivx h GLU 231 Cb 0.13 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2ivx h GLU 231 CO -0.16 0.48 0.07 1.25 -1.40 0.00 0.00 179.01 179.24 2ivx h LEU 232 N 0.74 0.69 -0.46 1.33 5.85 -1.81 -1.54 115.31 120.10 2ivx h LEU 232 Ca 0.28 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2ivx h LEU 232 Cb 0.09 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2ivx h LEU 232 CO -0.14 0.78 0.28 -0.07 -0.34 0.00 0.00 178.44 178.95 2ivx h LEU 233 N 0.57 0.47 -0.51 2.25 3.38 -0.89 0.33 115.31 120.91 2ivx h LEU 233 Ca 0.13 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2ivx h LEU 233 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ivx h LEU 233 CO 0.01 0.34 0.21 0.44 0.09 0.00 0.00 178.44 179.53 2ivx h ASP 234 N 0.57 0.70 0.10 -0.43 3.32 -0.97 -0.15 116.42 119.56 2ivx h ASP 234 Ca 0.18 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ivx h ASP 234 Cb -0.01 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2ivx h ASP 234 CO -0.07 0.67 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.97 2ivx h GLU 235 N 0.68 -0.17 -0.12 3.56 4.81 -0.85 -1.88 114.58 120.62 2ivx h GLU 235 Ca 0.17 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 2ivx h GLU 235 Cb 0.18 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2ivx h GLU 235 CO -0.02 -0.11 -0.54 -0.07 -0.73 0.00 0.00 179.01 177.55 2ivx h LEU 236 N -0.17 0.37 -0.24 1.64 3.38 -0.90 -1.19 115.31 118.20 2ivx h LEU 236 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2ivx h LEU 236 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ivx h LEU 236 CO -0.00 0.84 0.12 0.74 0.09 0.00 0.00 178.44 180.22 2ivx h THR 237 N 0.26 1.13 -0.45 0.22 2.02 -0.97 0.63 112.91 115.76 2ivx h THR 237 Ca 0.01 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.84 2ivx h THR 237 Cb 1.03 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2ivx h THR 237 CO 0.09 0.13 0.24 -0.74 0.37 0.00 0.00 175.52 175.61 2ivx h HIS 238 N 0.26 0.45 -0.53 3.16 -0.00 -1.16 -0.41 115.15 116.92 2ivx h HIS 238 Ca 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2ivx h HIS 238 Cb 0.10 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 2ivx h HIS 238 CO -0.03 0.24 0.32 1.49 -0.00 0.00 0.00 177.93 179.95 2ivx h GLU 239 N 0.48 0.72 -0.25 5.26 4.81 -1.00 -0.49 114.58 124.12 2ivx h GLU 239 Ca 0.19 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2ivx h GLU 239 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2ivx h GLU 239 CO -0.12 0.52 0.05 0.35 -0.73 0.00 0.00 179.01 179.08 2ivx h PHE 240 N 0.71 0.08 -0.55 0.92 -0.00 -0.58 -1.76 116.94 115.77 2ivx h PHE 240 Ca 0.19 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 58.13 2ivx h PHE 240 Cb -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 35.92 2ivx h PHE 240 CO -0.02 0.02 0.17 -0.07 -0.00 0.00 0.00 178.31 178.41 2ivx h LEU 241 N 0.14 0.75 -0.56 0.59 3.38 -0.61 -1.59 115.31 117.42 2ivx h LEU 241 Ca 0.11 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2ivx h LEU 241 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ivx h LEU 241 CO -0.15 0.71 0.04 1.56 0.09 0.00 0.00 178.44 180.69 2ivx h GLN 242 N 0.80 0.96 -0.70 1.13 4.20 -0.79 -1.13 115.11 119.58 2ivx h GLN 242 Ca 0.18 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2ivx h GLN 242 Cb 0.23 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2ivx h GLN 242 CO -0.01 0.95 0.34 0.82 -0.67 0.00 0.00 178.83 180.26 2ivx h ILE 243 N 0.84 1.23 -0.43 2.54 2.04 -0.88 -2.15 117.51 120.70 2ivx h ILE 243 Ca 0.16 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ivx h ILE 243 Cb 0.49 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2ivx h ILE 243 CO 0.02 0.27 0.27 -0.07 0.00 0.00 0.00 178.15 178.64 2ivx h LEU 244 N 0.98 0.51 -1.72 1.44 3.38 -1.00 -2.35 115.31 116.55 2ivx h LEU 244 Ca 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2ivx h LEU 244 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2ivx h LEU 244 CO -0.03 0.41 -0.15 -0.08 0.09 0.00 0.00 178.44 178.68 2ivx h GLU 245 N 0.57 0.00 -0.01 1.13 4.81 -0.91 -1.59 114.58 118.58 2ivx h GLU 245 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2ivx h GLU 245 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2ivx h GLU 245 CO -0.03 0.15 -0.03 0.36 -0.73 0.00 0.00 179.01 178.73 2ivx n LYS 246 N -4.30 1.28 -3.22 1.92 2.85 -0.83 -4.04 118.16 111.81 2ivx n LYS 246 Ca -0.03 -0.54 -0.34 0.00 -1.05 0.00 0.00 58.31 56.35 2ivx n LYS 246 Cb 0.22 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.07 2ivx n LYS 246 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2ivx n THR 247 N -0.39 3.78 -0.35 0.58 -1.04 -0.60 -5.00 114.28 111.26 2ivx n THR 247 Ca 0.20 -5.57 0.08 0.00 -2.04 0.00 0.00 64.05 56.72 2ivx n THR 247 Cb 0.27 -2.08 0.25 0.00 -1.82 0.00 0.00 70.33 66.94 2ivx n THR 247 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2ivx h PRO 248 N 4.74 0.87 -0.33 -2.82 0.11 -1.73 -1.13 132.00 131.71 2ivx h PRO 248 Ca 0.20 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 2ivx h PRO 248 Cb 0.63 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2ivx h PRO 248 CO 1.07 0.58 -0.28 -0.91 -0.21 0.00 0.00 178.00 178.24 2ivx h ASN 249 N 0.90 0.82 -0.67 -2.05 2.35 -1.94 -1.64 115.58 113.34 2ivx h ASN 249 Ca 0.50 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2ivx h ASN 249 Cb 0.57 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2ivx h ASN 249 CO -0.30 1.10 0.38 -0.09 -1.65 0.00 0.00 177.43 176.88 2ivx h ARG 250 N 0.55 0.95 -0.65 0.81 9.65 -1.79 -1.68 114.38 122.21 2ivx h ARG 250 Ca 0.06 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2ivx h ARG 250 Cb 0.86 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 2ivx h ARG 250 CO 0.07 0.69 0.41 1.25 2.80 0.00 0.00 179.97 185.19 2ivx h LEU 251 N 0.96 0.68 -0.95 3.80 5.85 -1.02 -1.90 115.31 122.73 2ivx h LEU 251 Ca 0.25 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2ivx h LEU 251 Cb 0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2ivx h LEU 251 CO -0.04 0.48 0.21 0.50 -0.34 0.00 0.00 178.44 179.24 2ivx h LYS 252 N 0.81 0.97 -0.66 1.25 3.64 -0.92 -2.21 116.57 119.45 2ivx h LYS 252 Ca 0.26 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2ivx h LYS 252 Cb -0.01 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2ivx h LYS 252 CO -0.09 0.83 0.39 0.87 -2.27 0.00 0.00 179.45 179.17 2ivx h LYS 253 N 0.94 0.90 -0.63 1.90 1.57 -1.08 -0.37 116.57 119.80 2ivx h LYS 253 Ca 0.21 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2ivx h LYS 253 Cb 0.26 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2ivx h LYS 253 CO -0.01 0.66 0.10 0.82 -0.57 0.00 0.00 179.45 180.45 2ivx h ILE 254 N 0.90 1.26 -0.54 1.86 2.04 -1.17 0.12 117.51 121.99 2ivx h ILE 254 Ca 0.24 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2ivx h ILE 254 Cb -0.00 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2ivx h ILE 254 CO -0.04 0.38 0.19 0.03 0.00 0.00 0.00 178.15 178.71 2ivx h ARG 255 N 0.95 0.82 -0.81 2.37 3.08 -1.18 -1.31 114.38 118.30 2ivx h ARG 255 Ca 0.19 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2ivx h ARG 255 Cb 0.44 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2ivx h ARG 255 CO 0.01 0.73 0.43 -0.97 -1.07 0.00 0.00 179.97 179.11 2ivx h ASN 256 N 0.73 1.01 -0.15 7.04 -1.24 -0.83 0.05 115.58 122.20 2ivx h ASN 256 Ca 0.18 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2ivx h ASN 256 Cb 0.24 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2ivx h ASN 256 CO -0.01 0.82 0.05 -0.25 -1.29 0.00 0.00 177.43 176.75 2ivx h TRP 257 N 1.13 0.24 -0.48 0.67 7.01 -0.66 -1.35 115.95 122.51 2ivx h TRP 257 Ca 0.28 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.17 2ivx h TRP 257 Cb 0.04 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 2ivx h TRP 257 CO 0.01 0.35 -0.03 -0.09 -2.79 0.00 0.00 178.44 175.89 2ivx h ARG 258 N 0.06 0.87 -0.85 2.65 9.65 -1.03 0.50 114.38 126.24 2ivx h ARG 258 Ca 0.05 -0.29 0.11 0.00 -1.10 0.00 0.00 59.98 58.75 2ivx h ARG 258 Cb 0.23 -0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.65 2ivx h ARG 258 CO -0.00 0.93 0.48 0.00 2.80 0.00 0.00 179.97 184.18 2ivx h ALA 259 N 0.92 1.24 -0.27 2.80 0.00 -0.96 0.10 119.26 123.09 2ivx h ALA 259 Ca 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2ivx h ALA 259 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ivx h ALA 259 CO 0.03 0.07 -0.04 -0.97 0.00 0.00 0.00 179.25 178.33 2ivx h ASN 260 N 0.77 0.51 0.02 0.00 -0.73 -0.89 -2.23 115.58 113.03 2ivx h ASN 260 Ca 0.43 -0.35 0.02 0.00 1.87 0.00 0.00 56.30 58.27 2ivx h ASN 260 Cb 0.45 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2ivx h ASN 260 CO -0.28 0.74 -0.11 -0.61 -0.37 0.00 0.00 177.43 176.79 2ivx h GLN 261 N 0.27 -0.20 -0.86 6.67 4.15 -0.03 -2.75 115.11 122.38 2ivx h GLN 261 Ca 0.07 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2ivx h GLN 261 Cb 0.50 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 2ivx h GLN 261 CO 0.02 -0.13 0.56 0.00 -1.93 0.00 0.00 178.83 177.34 2ivx h ALA 262 N 0.74 1.12 -0.00 3.38 0.00 -0.86 -3.51 119.26 120.12 2ivx h ALA 262 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ivx h ALA 262 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ivx h ALA 262 CO -0.10 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.57