#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivx s PRO 4 N 0.00 0.26 0.23 0.38 0.02 -1.26 -4.97 135.00 129.66 3ivx s PRO 4 Ca 0.00 0.49 -0.31 0.00 0.02 0.00 0.00 61.00 61.20 3ivx s PRO 4 Cb 0.00 -1.72 -0.11 0.00 0.02 0.00 0.00 34.50 32.69 3ivx s PRO 4 CO 0.00 -2.84 1.59 0.00 -0.33 0.00 0.00 177.00 175.42 3ivx s ALA 5 N -2.95 3.78 -0.15 -1.55 0.00 -1.26 -4.93 121.76 114.69 3ivx s ALA 5 Ca 0.66 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3ivx s ALA 5 Cb -0.19 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.33 3ivx s ALA 5 CO 0.58 -0.88 -0.10 0.12 0.00 0.00 0.00 175.76 175.49 3ivx s PHE 6 N 0.54 1.93 -0.42 0.00 5.36 -1.26 -5.03 117.98 119.10 3ivx s PHE 6 Ca 0.67 -1.12 -0.12 0.00 -0.96 0.00 0.00 56.93 55.40 3ivx s PHE 6 Cb -0.46 -1.45 0.06 0.00 -0.34 0.00 0.00 43.02 40.83 3ivx s PHE 6 CO 0.39 -0.63 0.28 -1.01 -1.46 0.00 0.00 175.22 172.80 3ivx s HIS 7 N 1.56 3.27 0.59 10.12 3.76 -1.26 -5.08 115.29 128.26 3ivx s HIS 7 Ca 0.03 -1.10 -0.19 0.00 -0.15 0.00 0.00 55.06 53.65 3ivx s HIS 7 Cb -0.14 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 3ivx s HIS 7 CO -0.09 -0.75 1.11 -2.30 -0.85 0.00 0.00 174.74 171.86 3ivx n PRO 8 N 5.04 1.12 -0.20 8.40 -0.02 -1.26 -2.54 135.00 145.54 3ivx n PRO 8 Ca -0.11 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3ivx n PRO 8 Cb 0.44 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3ivx n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivx n GLY 9 N 1.10 2.35 3.56 -1.23 0.00 -1.26 -4.99 105.19 104.73 3ivx n GLY 9 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3ivx n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ivx s GLU 10 N -0.02 1.89 -0.48 1.61 2.02 -1.05 -5.01 118.70 117.66 3ivx s GLU 10 Ca 0.00 -1.81 -0.26 0.00 0.02 0.00 0.00 54.97 52.91 3ivx s GLU 10 Cb 0.00 -1.81 0.03 0.00 0.10 0.00 0.00 34.13 32.45 3ivx s GLU 10 CO 0.00 0.20 0.99 -1.17 0.02 0.00 0.00 175.26 175.29 3ivx s LEU 11 N -3.62 3.91 -0.25 1.80 2.96 -1.25 -4.21 118.68 118.02 3ivx s LEU 11 Ca 0.32 0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.29 3ivx s LEU 11 Cb -0.01 -3.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 3ivx s LEU 11 CO 0.17 -1.13 0.19 0.20 -1.32 0.00 0.00 176.35 174.47 3ivx s ASN 12 N 2.37 6.12 -0.21 3.68 0.01 -0.17 -4.98 114.94 121.76 3ivx s ASN 12 Ca 0.39 0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.62 3ivx s ASN 12 Cb -0.09 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 3ivx s ASN 12 CO 0.27 0.02 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.16 3ivx s VAL 13 N 1.28 3.56 -0.08 1.60 1.01 -1.26 -1.34 120.40 125.17 3ivx s VAL 13 Ca 0.09 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ivx s VAL 13 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3ivx s VAL 13 CO 0.06 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.06 3ivx s TYR 14 N 1.33 2.57 -0.20 5.22 2.02 -0.24 -4.99 117.35 123.06 3ivx s TYR 14 Ca 0.04 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.11 3ivx s TYR 14 Cb -0.14 -1.67 -0.21 0.00 -0.40 0.00 0.00 41.96 39.53 3ivx s TYR 14 CO -0.01 -0.21 0.03 0.43 -1.57 0.00 0.00 175.55 174.22 3ivx n SER 15 N 3.10 1.18 -4.70 2.29 7.64 -1.26 -0.78 113.62 121.09 3ivx n SER 15 Ca -0.18 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 3ivx n SER 15 Cb 0.52 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 3ivx n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ivx s ALA 16 N -2.52 3.49 0.29 -0.43 0.00 -1.26 -3.95 121.76 117.38 3ivx s ALA 16 Ca -0.22 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3ivx s ALA 16 Cb 0.08 -3.52 0.65 0.00 0.00 0.00 0.00 23.12 20.33 3ivx s ALA 16 CO 0.72 -0.71 1.78 -1.35 0.00 0.00 0.00 175.76 176.21 3ivx h PRO 17 N 7.36 0.75 -0.35 0.00 0.11 -1.92 -1.63 132.00 136.31 3ivx h PRO 17 Ca -0.37 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3ivx h PRO 17 Cb 1.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3ivx h PRO 17 CO 0.87 0.49 0.07 0.78 -0.21 0.00 0.00 178.00 180.00 3ivx h GLY 18 N 0.77 0.56 0.83 -0.55 0.00 -1.96 -1.02 103.07 101.69 3ivx h GLY 18 Ca 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3ivx h GLY 18 CO -0.36 0.28 -0.08 -0.55 0.00 0.00 0.00 176.54 175.83 3ivx h ASP 19 N 0.51 -0.19 0.18 0.19 3.32 -1.69 -1.63 116.42 117.11 3ivx h ASP 19 Ca 0.12 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3ivx h ASP 19 Cb 0.22 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3ivx h ASP 19 CO -0.00 0.03 -0.41 1.62 -1.72 0.00 0.00 179.24 178.76 3ivx h VAL 20 N -0.40 1.31 -0.73 -1.35 3.04 -1.37 -1.53 116.25 115.22 3ivx h VAL 20 Ca -0.02 -1.52 -0.02 0.00 -1.01 0.00 0.00 66.70 64.12 3ivx h VAL 20 Cb 0.31 1.66 -0.03 0.00 -2.01 0.00 0.00 31.29 31.21 3ivx h VAL 20 CO 0.04 0.46 0.38 0.00 -1.01 0.00 0.00 177.57 177.44 3ivx h ALA 21 N 1.33 0.94 -0.11 3.17 0.00 -1.16 0.22 119.26 123.64 3ivx h ALA 21 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3ivx h ALA 21 Cb 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ivx h ALA 21 CO 0.07 0.47 -0.23 -0.44 0.00 0.00 0.00 179.25 179.11 3ivx h ASP 22 N 1.01 0.39 -0.37 0.00 3.32 -0.82 -1.61 116.42 118.33 3ivx h ASP 22 Ca 0.25 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3ivx h ASP 22 Cb 0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3ivx h ASP 22 CO -0.04 0.88 0.21 0.58 -1.72 0.00 0.00 179.24 179.15 3ivx h VAL 23 N -0.09 1.14 -0.24 -1.35 2.07 -1.21 -0.97 116.25 115.59 3ivx h VAL 23 Ca 0.00 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3ivx h VAL 23 Cb 0.83 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3ivx h VAL 23 CO 0.05 0.14 -0.00 -1.28 0.02 0.00 0.00 177.57 176.50 3ivx h SER 24 N 0.47 -0.10 -0.47 0.57 0.87 -0.47 -0.32 113.55 114.09 3ivx h SER 24 Ca 0.13 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3ivx h SER 24 Cb 0.04 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3ivx h SER 24 CO -0.02 -0.02 0.04 -0.09 -0.53 0.00 0.00 176.83 176.21 3ivx h ARG 25 N 0.07 0.81 -0.35 2.24 2.43 -1.13 -0.98 114.38 117.48 3ivx h ARG 25 Ca 0.11 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3ivx h ARG 25 Cb 0.15 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3ivx h ARG 25 CO -0.20 0.84 0.15 0.00 -1.51 0.00 0.00 179.97 179.26 3ivx h ALA 26 N 0.94 0.42 -0.46 2.80 0.00 -0.87 -1.78 119.26 120.31 3ivx h ALA 26 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ivx h ALA 26 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ivx h ALA 26 CO 0.02 -0.23 0.29 -0.07 0.00 0.00 0.00 179.25 179.25 3ivx h LEU 27 N 0.32 0.49 -1.42 0.00 3.38 -0.65 -2.56 115.31 114.85 3ivx h LEU 27 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ivx h LEU 27 Cb 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ivx h LEU 27 CO -0.13 0.35 0.39 -0.09 0.09 0.00 0.00 178.44 179.05 3ivx h ARG 28 N 0.59 0.77 0.00 1.13 2.43 -0.87 -1.18 114.38 117.25 3ivx h ARG 28 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ivx h ARG 28 Cb -0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3ivx h ARG 28 CO -0.06 0.51 0.00 -0.07 -1.51 0.00 0.00 179.97 178.84 3ivx h LEU 29 N 0.80 0.00 -1.60 3.80 3.38 -0.94 -2.70 115.31 118.05 3ivx h LEU 29 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3ivx h LEU 29 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ivx h LEU 29 CO -0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.83 3ivx n THR 30 N -2.90 0.53 -0.16 0.22 -2.24 -0.50 -4.92 114.28 104.31 3ivx n THR 30 Ca 0.02 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3ivx n THR 30 Cb 0.35 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3ivx n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ivx n GLY 31 N 1.22 0.88 3.77 3.38 0.00 -1.02 -5.06 105.19 108.35 3ivx n GLY 31 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3ivx n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ivx s ARG 32 N -0.65 4.50 -0.15 1.61 1.81 -0.90 -4.99 118.95 120.17 3ivx s ARG 32 Ca 0.00 1.62 -0.13 0.00 -1.72 0.00 0.00 55.73 55.50 3ivx s ARG 32 Cb 0.00 -2.94 -0.05 0.00 -0.45 0.00 0.00 34.95 31.52 3ivx s ARG 32 CO 0.00 0.13 0.27 1.03 -0.68 0.00 0.00 175.30 176.05 3ivx s ARG 33 N -1.84 4.13 -0.20 3.54 0.52 -1.05 -3.95 118.95 120.10 3ivx s ARG 33 Ca 0.49 0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.62 3ivx s ARG 33 Cb -0.26 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 3ivx s ARG 33 CO 0.34 0.35 0.33 0.08 0.02 0.00 0.00 175.30 176.41 3ivx s VAL 34 N 0.15 5.25 -0.11 3.52 1.01 -1.26 -0.59 120.40 128.36 3ivx s VAL 34 Ca 0.16 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 3ivx s VAL 34 Cb -0.13 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3ivx s VAL 34 CO 0.04 0.30 -0.10 -0.04 0.00 0.00 0.00 175.10 175.30 3ivx s MET 35 N 1.08 3.18 -0.14 2.72 1.00 -0.13 0.15 119.30 127.16 3ivx s MET 35 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 55.69 55.24 3ivx s MET 35 Cb -0.14 -2.65 -0.01 0.00 0.00 0.00 0.00 34.83 32.03 3ivx s MET 35 CO 0.06 0.39 -0.14 -1.17 0.00 0.00 0.00 175.02 174.16 3ivx s LEU 36 N -0.08 2.62 -0.37 -0.03 2.96 -0.48 -0.23 118.68 123.08 3ivx s LEU 36 Ca -0.01 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3ivx s LEU 36 Cb -0.14 -1.59 0.10 0.00 0.50 0.00 0.00 46.19 45.07 3ivx s LEU 36 CO 0.03 0.14 0.12 -0.69 -1.32 0.00 0.00 176.35 174.63 3ivx s VAL 37 N 0.49 2.72 -0.05 1.68 1.01 -0.20 -1.23 120.40 124.81 3ivx s VAL 37 Ca -0.10 -2.22 -0.26 0.00 0.00 0.00 0.00 61.98 59.41 3ivx s VAL 37 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3ivx s VAL 37 CO 0.04 -0.64 0.81 -2.84 0.00 0.00 0.00 175.10 172.48 3ivx s PRO 38 N 1.01 4.47 0.14 2.72 0.02 -1.26 -1.39 135.00 140.71 3ivx s PRO 38 Ca 0.10 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.20 3ivx s PRO 38 Cb -0.21 -3.46 -0.04 0.00 0.02 0.00 0.00 34.50 30.81 3ivx s PRO 38 CO -0.06 -0.01 0.02 0.95 -0.33 0.00 0.00 177.00 177.57 3ivx s THR 39 N 0.98 0.35 -0.29 0.99 -4.23 -0.13 -4.93 115.64 108.38 3ivx s THR 39 Ca 0.43 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 3ivx s THR 39 Cb -0.19 -2.00 0.61 0.00 1.34 0.00 0.00 72.50 72.26 3ivx s THR 39 CO 0.21 -0.54 1.62 0.23 -0.54 0.00 0.00 174.62 175.60 3ivx n MET 40 N -0.12 2.78 0.00 3.99 2.81 -1.26 -2.23 117.12 123.09 3ivx n MET 40 Ca -0.07 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 52.77 3ivx n MET 40 Cb 0.63 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3ivx n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ivx n GLY 41 N -0.66 -0.14 3.56 3.03 0.00 -1.26 -4.61 105.19 105.11 3ivx n GLY 41 Ca 0.36 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 3ivx n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivx n ALA 42 N 2.43 -2.25 -2.07 4.61 0.00 -1.26 -4.87 120.51 117.09 3ivx n ALA 42 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3ivx n ALA 42 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 15.97 3ivx n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ivx s LEU 43 N -6.28 4.47 0.00 0.00 1.43 -1.26 -4.75 118.68 112.29 3ivx s LEU 43 Ca 0.22 2.14 0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3ivx s LEU 43 Cb -0.05 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3ivx s LEU 43 CO 0.80 -0.28 0.05 0.00 0.23 0.00 0.00 176.35 177.14 3ivx n HIS 44 N 2.46 0.79 0.02 0.29 1.44 -1.26 -4.94 115.22 114.02 3ivx n HIS 44 Ca 0.03 -2.45 0.21 0.00 -2.01 0.00 0.00 57.72 53.51 3ivx n HIS 44 Cb 0.46 -0.21 0.72 0.00 0.12 0.00 0.00 29.99 31.08 3ivx n HIS 44 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3ivx h GLU 45 N 0.00 0.00 -0.19 -1.40 4.57 -1.99 -1.26 114.58 114.31 3ivx h GLU 45 Ca -0.37 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 3ivx h GLU 45 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 3ivx h GLU 45 CO 0.61 0.00 0.06 0.78 -1.18 0.00 0.00 179.01 179.28 3ivx h GLY 46 N 0.00 0.31 0.78 1.92 0.00 -1.95 -1.07 103.07 103.07 3ivx h GLY 46 Ca 0.24 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.44 3ivx h GLY 46 CO -0.00 0.17 0.55 0.45 0.00 0.00 0.00 176.54 177.71 3ivx h HIS 47 N 0.14 1.02 -0.06 5.60 3.86 -1.65 -2.73 115.15 121.34 3ivx h HIS 47 Ca 0.06 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3ivx h HIS 47 Cb 0.22 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3ivx h HIS 47 CO -0.00 0.55 -0.21 -0.07 0.86 0.00 0.00 177.93 179.06 3ivx h LEU 48 N 1.03 0.09 -0.93 2.43 3.38 -1.00 -1.04 115.31 119.27 3ivx h LEU 48 Ca 0.37 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 3ivx h LEU 48 Cb 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ivx h LEU 48 CO -0.15 0.31 0.07 0.00 0.09 0.00 0.00 178.44 178.76 3ivx h ALA 49 N 1.70 1.12 -0.06 1.53 0.00 -0.93 0.82 119.26 123.45 3ivx h ALA 49 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ivx h ALA 49 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ivx h ALA 49 CO 0.03 0.57 0.02 -0.07 0.00 0.00 0.00 179.25 179.80 3ivx h LEU 50 N 0.81 0.09 -0.45 0.00 3.38 -0.95 -1.75 115.31 116.44 3ivx h LEU 50 Ca 0.17 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ivx h LEU 50 Cb 0.38 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3ivx h LEU 50 CO 0.01 0.26 0.07 0.58 0.09 0.00 0.00 178.44 179.46 3ivx h VAL 51 N -0.09 0.73 -0.73 1.22 2.07 -1.01 -1.61 116.25 116.83 3ivx h VAL 51 Ca 0.02 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3ivx h VAL 51 Cb 0.21 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3ivx h VAL 51 CO -0.00 0.04 0.31 0.03 0.02 0.00 0.00 177.57 177.96 3ivx h ARG 52 N 0.20 1.06 -0.79 1.57 3.08 -0.74 0.28 114.38 119.05 3ivx h ARG 52 Ca 0.22 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3ivx h ARG 52 Cb 0.30 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3ivx h ARG 52 CO -0.31 0.85 0.37 0.00 -1.07 0.00 0.00 179.97 179.81 3ivx h ALA 53 N 1.29 1.02 -0.24 0.04 0.00 -0.91 -2.00 119.26 118.47 3ivx h ALA 53 Ca 0.25 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ivx h ALA 53 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ivx h ALA 53 CO -0.02 0.59 -0.21 0.00 0.00 0.00 0.00 179.25 179.61 3ivx h ALA 54 N 1.19 0.34 -0.60 0.00 0.00 -0.69 -3.09 119.26 116.42 3ivx h ALA 54 Ca 0.27 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3ivx h ALA 54 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ivx h ALA 54 CO -0.03 0.28 0.40 0.87 0.00 0.00 0.00 179.25 180.77 3ivx h LYS 55 N 0.26 0.35 -0.00 0.00 1.79 -0.12 -2.66 116.57 116.19 3ivx h LYS 55 Ca 0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3ivx h LYS 55 Cb 0.75 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3ivx h LYS 55 CO 0.05 0.23 -0.08 2.89 -1.08 0.00 0.00 179.45 181.47 3ivx n ARG 56 N -4.46 0.05 -2.26 3.15 1.85 -0.78 -4.74 116.66 109.47 3ivx n ARG 56 Ca 0.10 -0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 3ivx n ARG 56 Cb 0.41 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.29 3ivx n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ivx s VAL 57 N -2.96 3.84 0.27 8.89 1.01 -1.00 -4.93 120.40 125.52 3ivx s VAL 57 Ca 0.15 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3ivx s VAL 57 Cb 0.19 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 3ivx s VAL 57 CO 0.55 -0.02 1.61 -2.65 0.00 0.00 0.00 175.10 174.59 3ivx n PRO 58 N 5.62 2.68 -1.04 2.72 -0.02 -1.26 -1.82 135.00 141.87 3ivx n PRO 58 Ca 0.13 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.55 3ivx n PRO 58 Cb 0.44 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 3ivx n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ivx n GLY 59 N 2.50 0.42 3.78 -1.23 0.00 -1.26 -4.74 105.19 104.66 3ivx n GLY 59 Ca 0.10 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3ivx n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ivx s SER 60 N -2.16 5.80 -0.09 1.61 1.04 -0.76 -2.54 113.70 116.61 3ivx s SER 60 Ca 0.00 2.17 0.02 0.00 0.48 0.00 0.00 55.95 58.63 3ivx s SER 60 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 3ivx s SER 60 CO 0.00 -1.16 -0.17 0.54 0.98 0.00 0.00 173.24 173.43 3ivx s VAL 61 N -1.76 2.72 -0.21 5.02 0.11 0.24 -4.86 120.40 121.65 3ivx s VAL 61 Ca 0.72 -0.81 -0.08 0.00 -2.93 0.00 0.00 61.98 58.89 3ivx s VAL 61 Cb -0.24 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 3ivx s VAL 61 CO 0.27 0.55 0.07 -0.69 -3.33 0.00 0.00 175.10 171.97 3ivx s VAL 62 N 0.02 4.62 -0.24 2.04 1.01 -1.26 -0.96 120.40 125.63 3ivx s VAL 62 Ca -0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3ivx s VAL 62 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3ivx s VAL 62 CO 0.05 0.40 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 3ivx s VAL 63 N 0.94 4.40 -0.23 2.92 1.01 0.68 -2.28 120.40 127.84 3ivx s VAL 63 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3ivx s VAL 63 Cb -0.14 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3ivx s VAL 63 CO 0.03 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 174.82 3ivx s VAL 64 N 1.41 3.99 -0.03 2.92 1.01 0.52 -1.03 120.40 129.18 3ivx s VAL 64 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 3ivx s VAL 64 Cb -0.15 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3ivx s VAL 64 CO 0.04 0.38 0.37 -0.94 0.00 0.00 0.00 175.10 174.95 3ivx s SER 65 N 1.46 6.73 -0.22 3.32 1.04 -0.48 -1.07 113.70 124.48 3ivx s SER 65 Ca 0.05 0.87 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3ivx s SER 65 Cb -0.15 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.80 3ivx s SER 65 CO 0.01 0.31 -0.06 -0.63 0.98 0.00 0.00 173.24 173.85 3ivx s ILE 66 N -0.92 1.53 -0.24 -1.02 1.01 -0.24 -0.96 121.20 120.35 3ivx s ILE 66 Ca 0.22 -1.13 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 3ivx s ILE 66 Cb -0.16 -1.74 0.11 0.00 0.01 0.00 0.00 42.46 40.68 3ivx s ILE 66 CO 0.12 -0.02 0.52 0.12 0.00 0.00 0.00 174.94 175.67 3ivx s PHE 67 N 1.41 -1.04 -0.52 3.97 5.36 -0.95 -4.20 117.98 122.01 3ivx s PHE 67 Ca -0.04 1.85 -0.23 0.00 -0.96 0.00 0.00 56.93 57.55 3ivx s PHE 67 Cb -0.18 0.51 0.04 0.00 -0.34 0.00 0.00 43.02 43.05 3ivx s PHE 67 CO -0.07 -0.57 0.84 0.08 -1.46 0.00 0.00 175.22 174.04 3ivx s VAL 68 N 2.73 4.55 -0.51 3.12 1.01 -1.26 -4.33 120.40 125.72 3ivx s VAL 68 Ca -0.03 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 3ivx s VAL 68 Cb -0.12 -4.44 0.04 0.00 0.00 0.00 0.00 36.38 31.85 3ivx s VAL 68 CO -0.16 -0.97 0.89 0.21 0.00 0.00 0.00 175.10 175.08 3ivx s ASN 69 N 2.69 6.38 0.66 3.32 2.47 -1.26 -4.90 114.94 124.30 3ivx s ASN 69 Ca 0.26 -0.24 0.41 0.00 0.42 0.00 0.00 52.86 53.72 3ivx s ASN 69 Cb -0.14 -2.42 2.26 0.00 -1.45 0.00 0.00 41.25 39.50 3ivx s ASN 69 CO 0.18 -1.11 2.31 1.55 -3.72 0.00 0.00 177.10 176.30 3ivx h PRO 70 N 9.18 0.00 0.00 0.43 0.13 -1.97 -2.76 132.00 137.02 3ivx h PRO 70 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ivx h PRO 70 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ivx h PRO 70 CO 1.04 0.00 0.00 -0.12 -0.23 0.00 0.00 178.00 178.69 3ivx n MET 71 N -3.18 0.22 -0.25 0.86 1.56 -1.26 -2.73 117.12 112.35 3ivx n MET 71 Ca -0.03 0.29 0.11 0.00 -0.27 0.00 0.00 57.70 57.80 3ivx n MET 71 Cb 0.11 -1.81 0.24 0.00 2.15 0.00 0.00 33.22 33.91 3ivx n MET 71 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3ivx n GLN 72 N -2.21 2.54 -4.15 2.12 10.64 -1.04 -4.15 117.38 121.14 3ivx n GLN 72 Ca 0.04 -2.36 -0.34 0.00 -1.83 0.00 0.00 57.00 52.51 3ivx n GLN 72 Cb 0.34 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.15 3ivx n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3ivx s PHE 73 N -1.24 3.30 0.00 2.61 0.40 -1.10 -4.74 117.98 117.20 3ivx s PHE 73 Ca 0.40 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 3ivx s PHE 73 Cb 0.22 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3ivx s PHE 73 CO 0.30 0.56 0.00 0.41 0.70 0.00 0.00 175.22 177.19 3ivx n GLY 74 N 1.62 -2.49 0.05 4.36 0.00 -1.26 -4.97 105.19 102.50 3ivx n GLY 74 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3ivx n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivx n ALA 75 N -3.00 0.00 -0.57 4.61 0.00 -1.26 -5.07 120.51 115.23 3ivx n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ivx n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ivx n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivx n GLY 76 N -1.42 -1.05 1.95 0.00 0.00 -1.26 -4.86 105.19 98.55 3ivx n GLY 76 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3ivx n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ivx n GLY 77 N 1.14 2.54 0.16 -0.02 0.00 -1.26 -4.81 105.19 102.93 3ivx n GLY 77 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3ivx n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ivx h ASP 78 N 0.00 0.04 0.33 1.61 5.19 -1.97 0.26 116.42 121.88 3ivx h ASP 78 Ca 0.00 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3ivx h ASP 78 Cb 0.00 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 3ivx h ASP 78 CO 0.00 0.06 -0.32 0.25 -3.12 0.00 0.00 179.24 176.11 3ivx h LEU 79 N 0.21 -0.87 -1.63 1.55 5.85 -1.95 -1.64 115.31 116.82 3ivx h LEU 79 Ca 0.17 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.02 3ivx h LEU 79 Cb 0.18 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3ivx h LEU 79 CO -0.21 -0.46 0.34 0.44 -0.34 0.00 0.00 178.44 178.21 3ivx h ASP 80 N -0.68 0.40 1.33 1.25 3.32 -1.90 -2.72 116.42 117.42 3ivx h ASP 80 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ivx h ASP 80 Cb 0.62 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3ivx h ASP 80 CO -0.06 0.26 -0.18 0.00 -1.72 0.00 0.00 179.24 177.55 3ivx h ALA 81 N 1.72 0.88 -2.56 3.45 0.00 -0.16 -3.47 119.26 119.13 3ivx h ALA 81 Ca 0.22 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.58 3ivx h ALA 81 Cb 0.29 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.16 3ivx h ALA 81 CO -0.06 0.00 0.80 0.98 0.00 0.00 0.00 179.25 180.97 3ivx n TYR 82 N -2.26 2.55 -1.95 0.00 9.36 -0.65 -4.88 117.16 119.33 3ivx n TYR 82 Ca 0.05 0.29 -0.42 0.00 3.32 0.00 0.00 57.90 61.14 3ivx n TYR 82 Cb 0.44 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.57 3ivx n TYR 82 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3ivx s PRO 83 N -0.09 4.23 -0.18 2.98 0.04 -1.26 -4.99 135.00 135.72 3ivx s PRO 83 Ca 0.68 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3ivx s PRO 83 Cb -0.57 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 30.89 3ivx s PRO 83 CO 0.46 -0.52 -0.07 1.03 0.04 0.00 0.00 177.00 177.93 3ivx s ARG 84 N 0.29 1.65 -0.39 4.56 0.52 -1.26 -4.46 118.95 119.86 3ivx s ARG 84 Ca 0.64 -0.67 0.11 0.00 -0.52 0.00 0.00 55.73 55.30 3ivx s ARG 84 Cb -0.43 -2.20 0.34 0.00 0.52 0.00 0.00 34.95 33.17 3ivx s ARG 84 CO 0.38 -0.45 0.73 0.25 0.02 0.00 0.00 175.30 176.23 3ivx n THR 85 N 4.79 0.08 -0.30 0.02 -2.24 -1.26 -4.99 114.28 110.38 3ivx n THR 85 Ca -0.13 -4.62 0.10 0.00 -2.27 0.00 0.00 64.05 57.13 3ivx n THR 85 Cb 0.47 -0.55 0.27 0.00 -2.10 0.00 0.00 70.33 68.42 3ivx n THR 85 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ivx h PRO 86 N 3.11 0.53 0.05 -0.78 0.11 -1.99 -1.73 132.00 131.30 3ivx h PRO 86 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ivx h PRO 86 Cb 0.92 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3ivx h PRO 86 CO 0.53 0.35 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.20 3ivx h ASP 87 N 0.54 -0.06 -0.53 -2.05 3.32 -2.00 -2.28 116.42 113.36 3ivx h ASP 87 Ca 0.51 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3ivx h ASP 87 Cb 0.84 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 3ivx h ASP 87 CO -0.43 0.31 0.25 0.44 -1.72 0.00 0.00 179.24 178.09 3ivx h ASP 88 N -0.44 0.33 0.02 6.45 5.19 -1.96 -2.62 116.42 123.39 3ivx h ASP 88 Ca -0.01 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3ivx h ASP 88 Cb 0.40 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 3ivx h ASP 88 CO 0.01 0.23 -0.41 0.44 -3.12 0.00 0.00 179.24 176.39 3ivx h ASP 89 N 0.48 -1.24 -0.43 6.45 3.32 -1.05 -0.55 116.42 123.40 3ivx h ASP 89 Ca 0.24 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3ivx h ASP 89 Cb 0.19 0.48 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3ivx h ASP 89 CO -0.19 -0.46 0.16 -0.07 -1.72 0.00 0.00 179.24 176.96 3ivx h LEU 90 N -0.58 0.66 -0.25 1.55 3.38 -1.40 -1.62 115.31 117.05 3ivx h LEU 90 Ca 0.04 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ivx h LEU 90 Cb 0.65 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ivx h LEU 90 CO -0.30 0.63 0.07 0.00 0.09 0.00 0.00 178.44 178.93 3ivx h ALA 91 N 1.47 0.27 -0.95 1.53 0.00 -1.09 -0.11 119.26 120.37 3ivx h ALA 91 Ca 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ivx h ALA 91 Cb 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3ivx h ALA 91 CO -0.01 -0.34 0.59 1.96 0.00 0.00 0.00 179.25 181.45 3ivx h GLN 92 N 0.18 1.28 -0.39 0.00 4.20 -0.49 0.11 115.11 119.99 3ivx h GLN 92 Ca 0.11 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3ivx h GLN 92 Cb 0.09 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3ivx h GLN 92 CO -0.13 0.88 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.83 3ivx h LEU 93 N 1.31 0.69 -0.21 1.46 3.38 -0.93 -1.08 115.31 119.91 3ivx h LEU 93 Ca 0.34 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3ivx h LEU 93 Cb -0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3ivx h LEU 93 CO -0.07 0.83 -0.02 0.03 0.09 0.00 0.00 178.44 179.31 3ivx h ARG 94 N 0.52 0.04 -0.79 1.13 3.08 -0.82 -1.54 114.38 116.00 3ivx h ARG 94 Ca 0.11 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.28 3ivx h ARG 94 Cb 0.49 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 3ivx h ARG 94 CO 0.02 0.03 0.40 0.00 -1.07 0.00 0.00 179.97 179.35 3ivx h ALA 95 N 1.19 1.14 -0.00 0.04 0.00 -0.61 -1.42 119.26 119.60 3ivx h ALA 95 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ivx h ALA 95 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ivx h ALA 95 CO -0.19 -0.05 -0.00 0.39 0.00 0.00 0.00 179.25 179.40 3ivx n GLU 96 N -4.86 0.62 -1.02 0.00 -0.58 -0.44 -4.91 120.64 109.45 3ivx n GLU 96 Ca 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.87 3ivx n GLU 96 Cb 0.35 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3ivx n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ivx n GLY 97 N 1.20 0.44 3.74 0.62 0.00 -0.54 -5.01 105.19 105.64 3ivx n GLY 97 Ca 0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 3ivx n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivx s VAL 98 N -2.02 2.69 -0.29 1.61 1.01 -0.66 -4.93 120.40 117.80 3ivx s VAL 98 Ca 0.00 0.56 0.23 0.00 0.00 0.00 0.00 61.98 62.77 3ivx s VAL 98 Cb 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 3ivx s VAL 98 CO 0.00 0.08 0.92 -0.62 0.00 0.00 0.00 175.10 175.48 3ivx n GLU 99 N 2.64 0.53 -3.86 2.72 1.02 -1.24 -3.84 120.64 118.61 3ivx n GLU 99 Ca 0.08 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.03 3ivx n GLU 99 Cb 0.40 -1.70 -0.17 0.00 -0.02 0.00 0.00 31.44 29.96 3ivx n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ivx s ILE 100 N -3.36 0.27 -0.09 -3.67 1.01 -0.96 -1.00 121.20 113.39 3ivx s ILE 100 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3ivx s ILE 100 Cb 0.12 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 3ivx s ILE 100 CO 0.82 0.21 -0.08 0.00 0.00 0.00 0.00 174.94 175.88 3ivx s ALA 101 N 1.56 2.89 -0.26 9.38 0.00 -0.45 -0.36 121.76 134.53 3ivx s ALA 101 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3ivx s ALA 101 Cb -0.13 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.78 3ivx s ALA 101 CO -0.03 0.46 -0.06 0.12 0.00 0.00 0.00 175.76 176.25 3ivx s PHE 102 N -0.43 3.13 -0.56 0.00 5.36 -0.23 -1.08 117.98 124.17 3ivx s PHE 102 Ca 0.06 -1.78 0.06 0.00 -0.96 0.00 0.00 56.93 54.32 3ivx s PHE 102 Cb -0.12 -2.04 0.24 0.00 -0.34 0.00 0.00 43.02 40.76 3ivx s PHE 102 CO 0.02 -0.78 0.64 0.25 -1.46 0.00 0.00 175.22 173.89 3ivx n THR 103 N 4.61 1.25 -1.94 0.12 -2.24 0.04 -1.08 114.28 115.04 3ivx n THR 103 Ca -0.15 -4.76 -0.33 0.00 -2.27 0.00 0.00 64.05 56.54 3ivx n THR 103 Cb 0.45 -2.05 0.02 0.00 -2.10 0.00 0.00 70.33 66.66 3ivx n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ivx s PRO 104 N -1.89 3.15 0.64 -0.78 0.04 -1.25 -4.44 135.00 130.46 3ivx s PRO 104 Ca 0.37 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 3ivx s PRO 104 Cb 0.13 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 3ivx s PRO 104 CO -0.06 -0.96 1.04 0.95 0.04 0.00 0.00 177.00 178.01 3ivx s THR 105 N -2.44 4.32 0.21 1.26 -4.23 -1.26 -4.89 115.64 108.61 3ivx s THR 105 Ca 0.64 0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 61.88 3ivx s THR 105 Cb -0.17 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.20 3ivx s THR 105 CO 0.39 -0.91 1.86 0.74 -0.54 0.00 0.00 174.62 176.15 3ivx h THR 106 N -0.26 1.12 -0.92 3.99 2.02 -1.96 -2.41 112.91 114.50 3ivx h THR 106 Ca -0.45 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 66.51 3ivx h THR 106 Cb 1.20 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 3ivx h THR 106 CO 0.59 0.17 0.57 0.00 0.37 0.00 0.00 175.52 177.22 3ivx h ALA 107 N 1.29 1.31 -0.08 6.16 0.00 -1.94 0.10 119.26 126.10 3ivx h ALA 107 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 3ivx h ALA 107 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ivx h ALA 107 CO -0.09 0.27 -0.52 0.00 0.00 0.00 0.00 179.25 178.91 3ivx h ALA 108 N 1.46 0.98 0.16 0.00 0.00 -1.87 -1.89 119.26 118.11 3ivx h ALA 108 Ca 0.42 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 3ivx h ALA 108 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ivx h ALA 108 CO -0.21 0.67 -1.46 0.52 0.00 0.00 0.00 179.25 178.77 3ivx h MET 109 N 0.16 0.35 -1.74 0.00 2.86 -1.01 -3.40 114.93 112.15 3ivx h MET 109 Ca 0.00 -0.59 -0.53 0.00 -2.06 0.00 0.00 59.70 56.52 3ivx h MET 109 Cb 0.97 0.22 -0.41 0.00 0.06 0.00 0.00 31.60 32.44 3ivx h MET 109 CO 0.08 1.25 -0.87 0.66 1.06 0.00 0.00 176.91 179.09 3ivx n TYR 110 N -3.56 2.65 0.33 -0.22 4.01 0.32 -4.89 117.16 115.79 3ivx n TYR 110 Ca -0.15 -3.45 0.22 0.00 -0.16 0.00 0.00 57.90 54.36 3ivx n TYR 110 Cb 1.06 -0.32 1.10 0.00 -0.31 0.00 0.00 39.34 40.87 3ivx n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ivx h PRO 111 N 2.85 0.00 -0.29 -0.72 0.13 -1.55 -1.53 132.00 130.89 3ivx h PRO 111 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ivx h PRO 111 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ivx h PRO 111 CO 0.72 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 3ivx n ASP 112 N -3.08 3.63 0.00 1.44 8.00 -1.26 -5.09 116.55 120.19 3ivx n ASP 112 Ca -0.02 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.77 3ivx n ASP 112 Cb 0.13 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3ivx n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ivx n GLY 113 N -0.18 0.68 3.64 0.44 0.00 -0.58 -4.57 105.19 104.63 3ivx n GLY 113 Ca 0.19 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3ivx n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivx s LEU 114 N 0.00 4.08 0.00 0.99 1.43 -1.26 -4.87 118.68 119.04 3ivx s LEU 114 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3ivx s LEU 114 Cb 0.00 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.03 3ivx s LEU 114 CO 0.00 -0.53 0.00 -1.14 0.23 0.00 0.00 176.35 174.91 3ivx n ARG 115 N 6.04 0.00 -2.47 1.70 0.63 -1.26 -5.06 116.66 116.24 3ivx n ARG 115 Ca 0.06 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.58 3ivx n ARG 115 Cb 0.48 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.35 3ivx n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ivx s THR 116 N 0.78 3.79 0.18 5.15 2.01 -1.26 -5.03 115.64 121.25 3ivx s THR 116 Ca 0.00 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3ivx s THR 116 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3ivx s THR 116 CO 0.00 0.25 0.06 0.42 -0.69 0.00 0.00 174.62 174.66 3ivx s THR 117 N -0.13 0.33 -0.03 -0.82 -4.23 -1.26 -5.11 115.64 104.39 3ivx s THR 117 Ca 0.51 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.80 3ivx s THR 117 Cb -0.30 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3ivx s THR 117 CO 0.35 -0.30 0.80 -0.69 -0.54 0.00 0.00 174.62 174.24 3ivx s VAL 118 N -3.90 4.95 -0.44 2.29 1.01 -1.26 -5.04 120.40 118.00 3ivx s VAL 118 Ca 0.29 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 3ivx s VAL 118 Cb 0.07 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.39 3ivx s VAL 118 CO 0.06 0.24 0.30 -1.58 0.00 0.00 0.00 175.10 174.13 3ivx s GLN 119 N 0.74 2.73 0.92 2.72 2.00 -1.26 -4.57 119.66 122.94 3ivx s GLN 119 Ca 0.42 -1.42 -0.11 0.00 -2.00 0.00 0.00 55.36 52.25 3ivx s GLN 119 Cb -0.19 -3.90 0.15 0.00 0.80 0.00 0.00 33.01 29.87 3ivx s GLN 119 CO 0.22 -0.98 1.09 -2.14 -0.50 0.00 0.00 175.29 172.99 3ivx s PRO 120 N 1.50 1.01 0.97 1.67 0.02 -1.26 -5.04 135.00 133.87 3ivx s PRO 120 Ca 0.03 1.07 -0.16 0.00 0.02 0.00 0.00 61.00 61.96 3ivx s PRO 120 Cb -0.23 -1.76 0.24 0.00 0.02 0.00 0.00 34.50 32.77 3ivx s PRO 120 CO 0.04 -2.48 0.77 0.41 -0.33 0.00 0.00 177.00 175.41 3ivx n GLY 121 N -0.50 -3.03 0.32 0.52 0.00 -1.26 -4.86 105.19 96.39 3ivx n GLY 121 Ca 0.08 -1.43 0.19 0.00 0.00 0.00 0.00 46.02 44.87 3ivx n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ivx h PRO 122 N 0.00 0.00 -0.75 1.61 0.11 -2.03 -1.73 132.00 129.22 3ivx h PRO 122 Ca -0.30 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.00 3ivx h PRO 122 Cb 0.95 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3ivx h PRO 122 CO 0.19 0.00 0.52 1.25 -0.21 0.00 0.00 178.00 179.76 3ivx h LEU 123 N 0.00 0.17 -0.28 2.35 5.85 -1.95 -1.51 115.31 119.94 3ivx h LEU 123 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ivx h LEU 123 Cb 0.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3ivx h LEU 123 CO 0.00 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 3ivx n ALA 124 N -2.61 1.62 1.06 1.25 0.00 -0.65 -2.10 120.51 119.08 3ivx n ALA 124 Ca 0.15 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3ivx n ALA 124 Cb 0.70 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 19.15 3ivx n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ivx n ALA 125 N -1.60 2.49 -2.53 0.00 0.00 -0.57 -4.03 120.51 114.27 3ivx n ALA 125 Ca 0.03 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 3ivx n ALA 125 Cb 0.18 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 3ivx n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ivx s GLU 126 N -1.88 2.24 5.06 0.00 2.02 -0.89 -3.09 118.70 122.15 3ivx s GLU 126 Ca 0.33 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.69 3ivx s GLU 126 Cb 0.20 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.37 3ivx s GLU 126 CO 0.31 0.12 0.00 1.28 0.02 0.00 0.00 175.26 176.99 3ivx n LEU 127 N -1.06 0.00 0.28 1.80 4.77 -1.26 -0.63 117.00 120.89 3ivx n LEU 127 Ca -0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3ivx n LEU 127 Cb 0.62 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.50 3ivx n LEU 127 CO 0.43 0.00 1.06 -0.33 -1.33 0.00 0.00 177.39 177.22 3ivx h GLU 128 N 0.00 0.00 -0.00 3.23 4.39 -1.93 -2.46 114.58 117.81 3ivx h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ivx h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ivx h GLU 128 CO 0.00 0.05 -0.45 0.41 -1.16 0.00 0.00 179.01 177.86 3ivx n GLY 129 N -1.16 -1.27 0.43 -3.84 0.00 0.20 -4.13 105.19 95.43 3ivx n GLY 129 Ca -0.03 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3ivx n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ivx h GLY 130 N 5.00 -0.90 0.50 -0.02 0.00 -1.37 -2.59 103.07 103.69 3ivx h GLY 130 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3ivx h GLY 130 CO 0.00 -0.24 -0.10 -1.05 0.00 0.00 0.00 176.54 175.16 3ivx n PRO 131 N -5.45 0.97 -3.30 4.80 -0.02 -1.26 -4.53 135.00 126.20 3ivx n PRO 131 Ca -0.06 -0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 60.76 3ivx n PRO 131 Cb 0.38 -1.49 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 3ivx n PRO 131 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ivx n ARG 132 N -0.66 1.19 0.30 -0.52 1.74 -0.98 -5.01 116.66 112.72 3ivx n ARG 132 Ca 0.16 -3.65 0.16 0.00 -0.77 0.00 0.00 57.85 53.75 3ivx n ARG 132 Cb 0.28 -1.57 0.96 0.00 -1.02 0.00 0.00 32.46 31.11 3ivx n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3ivx h PRO 133 N 4.25 0.00 -0.02 5.56 0.13 -1.79 -2.27 132.00 137.87 3ivx h PRO 133 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ivx h PRO 133 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ivx h PRO 133 CO 0.56 0.01 -0.02 0.25 -0.23 0.00 0.00 178.00 178.57 3ivx n THR 134 N -3.70 0.00 0.11 1.56 -2.24 -1.26 -4.71 114.28 104.04 3ivx n THR 134 Ca -0.03 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 3ivx n THR 134 Cb 0.09 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 3ivx n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ivx h HIS 135 N 2.58 -0.81 0.00 4.78 6.17 -1.70 -1.20 115.15 124.97 3ivx h HIS 135 Ca 0.00 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 60.99 3ivx h HIS 135 Cb 0.56 0.34 -0.02 0.00 2.52 0.00 0.00 27.41 30.81 3ivx h HIS 135 CO 0.00 -0.40 -0.52 0.74 0.71 0.00 0.00 177.93 178.46 3ivx h PHE 136 N -0.51 0.00 -0.93 5.26 0.04 -1.84 -1.91 116.94 117.05 3ivx h PHE 136 Ca 0.03 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.87 3ivx h PHE 136 Cb 0.54 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 3ivx h PHE 136 CO -0.27 0.52 0.59 0.00 -0.60 0.00 0.00 178.31 178.55 3ivx h ALA 137 N 1.48 1.27 -0.61 2.45 0.00 -1.71 0.05 119.26 122.18 3ivx h ALA 137 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ivx h ALA 137 Cb 1.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ivx h ALA 137 CO 0.07 0.36 0.20 0.78 0.00 0.00 0.00 179.25 180.66 3ivx h GLY 138 N 1.07 1.02 0.70 0.00 0.00 -0.53 -0.77 103.07 104.56 3ivx h GLY 138 Ca 0.40 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3ivx h GLY 138 CO -0.17 0.56 -0.07 -2.08 0.00 0.00 0.00 176.54 174.77 3ivx h VAL 139 N 0.87 0.97 -0.49 4.60 2.07 -1.01 -2.41 116.25 120.86 3ivx h VAL 139 Ca 0.20 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3ivx h VAL 139 Cb 0.27 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3ivx h VAL 139 CO -0.01 0.15 0.14 -0.07 0.02 0.00 0.00 177.57 177.79 3ivx h LEU 140 N -0.51 0.67 -0.24 2.57 3.38 -0.97 -0.38 115.31 119.83 3ivx h LEU 140 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ivx h LEU 140 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ivx h LEU 140 CO 0.03 0.65 0.09 0.74 0.09 0.00 0.00 178.44 180.05 3ivx h THR 141 N 0.71 1.17 -0.45 0.22 2.02 -1.07 0.03 112.91 115.55 3ivx h THR 141 Ca 0.16 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 3ivx h THR 141 Cb 0.23 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3ivx h THR 141 CO -0.01 0.17 -0.05 1.62 0.37 0.00 0.00 175.52 177.63 3ivx h VAL 142 N 0.24 1.27 -0.80 3.16 3.04 -1.01 -1.95 116.25 120.20 3ivx h VAL 142 Ca 0.08 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.59 3ivx h VAL 142 Cb 0.19 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 3ivx h VAL 142 CO -0.01 0.39 0.33 0.58 -1.01 0.00 0.00 177.57 177.86 3ivx h VAL 143 N 0.67 1.26 -0.38 1.51 2.07 -0.98 -0.16 116.25 120.24 3ivx h VAL 143 Ca 0.12 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3ivx h VAL 143 Cb 0.57 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ivx h VAL 143 CO 0.03 0.33 0.21 0.25 0.02 0.00 0.00 177.57 178.41 3ivx h LEU 144 N 1.15 0.34 -0.11 2.57 5.85 -0.79 -1.10 115.31 123.23 3ivx h LEU 144 Ca 0.27 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3ivx h LEU 144 Cb 0.19 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ivx h LEU 144 CO -0.03 0.25 0.05 0.11 -0.34 0.00 0.00 178.44 178.48 3ivx h LYS 145 N 0.43 0.15 -0.91 1.25 1.57 -0.85 -0.33 116.57 117.89 3ivx h LYS 145 Ca 0.15 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3ivx h LYS 145 Cb 0.02 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 3ivx h LYS 145 CO -0.08 0.22 0.56 -0.07 -0.57 0.00 0.00 179.45 179.51 3ivx h LEU 146 N 0.05 0.85 -0.46 2.94 3.38 -0.88 0.85 115.31 122.04 3ivx h LEU 146 Ca 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ivx h LEU 146 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ivx h LEU 146 CO -0.00 0.51 0.15 -0.07 0.09 0.00 0.00 178.44 179.12 3ivx h LEU 147 N 0.97 0.67 -0.81 1.67 3.38 -0.93 -0.36 115.31 119.90 3ivx h LEU 147 Ca 0.41 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3ivx h LEU 147 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ivx h LEU 147 CO -0.21 0.70 -0.30 1.56 0.09 0.00 0.00 178.44 180.28 3ivx h GLN 148 N 0.61 0.55 -0.06 1.13 1.08 -0.52 0.25 115.11 118.15 3ivx h GLN 148 Ca 0.15 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3ivx h GLN 148 Cb 0.26 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3ivx h GLN 148 CO -0.01 0.79 -0.12 0.82 -0.95 0.00 0.00 178.83 179.37 3ivx h ILE 149 N 0.48 1.41 0.00 2.54 2.04 -0.66 -3.35 117.51 119.97 3ivx h ILE 149 Ca 0.06 -1.41 -0.23 0.00 1.00 0.00 0.00 64.86 64.27 3ivx h ILE 149 Cb 0.76 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 3ivx h ILE 149 CO 0.06 0.39 -1.47 0.58 0.00 0.00 0.00 178.15 177.72 3ivx h VAL 150 N -0.29 0.84 -6.62 1.67 2.07 -1.07 -3.36 116.25 109.49 3ivx h VAL 150 Ca 0.00 -2.55 -0.52 0.00 0.82 0.00 0.00 66.70 64.45 3ivx h VAL 150 Cb 0.69 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 3ivx h VAL 150 CO 0.03 0.48 -0.95 0.54 0.02 0.00 0.00 177.57 177.68 3ivx n ARG 151 N -3.04 -1.39 -1.99 1.57 5.12 0.89 -4.77 116.66 113.05 3ivx n ARG 151 Ca -0.12 0.28 -0.33 0.00 -1.93 0.00 0.00 57.85 55.76 3ivx n ARG 151 Cb 0.96 -3.67 0.02 0.00 -1.16 0.00 0.00 32.46 28.61 3ivx n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ivx s PRO 152 N -6.74 3.19 0.19 5.56 0.04 -1.26 -4.89 135.00 131.08 3ivx s PRO 152 Ca 0.31 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 3ivx s PRO 152 Cb -0.14 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.50 3ivx s PRO 152 CO 0.92 -0.92 1.52 -0.44 0.04 0.00 0.00 177.00 178.12 3ivx h ASP 153 N 0.38 0.69 -4.59 6.66 3.32 -0.61 -3.43 116.42 118.83 3ivx h ASP 153 Ca -0.47 -0.34 -0.21 0.00 0.02 0.00 0.00 57.03 56.02 3ivx h ASP 153 Cb 1.23 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 3ivx h ASP 153 CO 0.57 1.06 -0.71 -0.13 -1.72 0.00 0.00 179.24 178.30 3ivx s ARG 154 N -4.12 0.29 -0.01 3.56 0.52 -1.19 -1.41 118.95 116.59 3ivx s ARG 154 Ca -0.08 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 3ivx s ARG 154 Cb 0.11 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3ivx s ARG 154 CO 0.84 -0.01 -0.18 0.54 0.02 0.00 0.00 175.30 176.52 3ivx s VAL 155 N -1.03 1.39 -0.12 3.52 0.11 -0.05 -1.38 120.40 122.84 3ivx s VAL 155 Ca -0.10 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 3ivx s VAL 155 Cb -0.07 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3ivx s VAL 155 CO -0.00 0.38 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.63 3ivx s PHE 156 N -0.43 2.76 0.04 1.54 0.40 -0.36 -0.90 117.98 121.03 3ivx s PHE 156 Ca 0.07 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.72 3ivx s PHE 156 Cb -0.07 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3ivx s PHE 156 CO -0.01 -0.24 -0.09 -0.06 0.70 0.00 0.00 175.22 175.52 3ivx s PHE 157 N 0.32 0.76 0.47 0.36 0.08 -0.75 -4.27 117.98 114.95 3ivx s PHE 157 Ca -0.12 -0.46 -0.20 0.00 0.12 0.00 0.00 56.93 56.27 3ivx s PHE 157 Cb -0.16 -0.45 -0.09 0.00 -0.57 0.00 0.00 43.02 41.75 3ivx s PHE 157 CO 0.06 -0.05 0.99 0.20 -0.10 0.00 0.00 175.22 176.32 3ivx s GLY 158 N -1.50 2.37 0.07 4.36 0.00 -1.26 -0.50 107.32 110.87 3ivx s GLY 158 Ca -0.08 0.45 0.21 0.00 0.00 0.00 0.00 44.72 45.30 3ivx s GLY 158 CO 0.01 0.74 1.65 1.18 0.00 0.00 0.00 173.10 176.68 3ivx n GLU 159 N -0.97 0.06 -0.02 2.90 1.02 0.14 -4.00 120.64 119.77 3ivx n GLU 159 Ca 0.08 0.22 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 3ivx n GLU 159 Cb 0.53 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 3ivx n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ivx h LYS 160 N 0.00 -0.02 -4.19 3.49 3.64 -1.93 -2.66 116.57 114.91 3ivx h LYS 160 Ca 0.00 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.63 3ivx h LYS 160 Cb 0.38 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.03 3ivx h LYS 160 CO 0.00 -0.01 1.63 -0.25 -2.27 0.00 0.00 179.45 178.55 3ivx n ASP 161 N -5.18 5.19 -0.08 4.20 8.00 -1.26 -4.62 116.55 122.80 3ivx n ASP 161 Ca -0.03 -3.04 -0.12 0.00 0.71 0.00 0.00 54.79 52.30 3ivx n ASP 161 Cb 0.11 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.63 3ivx n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ivx h TYR 162 N 6.51 0.52 -0.50 1.24 3.20 -1.74 -1.79 116.97 124.41 3ivx h TYR 162 Ca 0.35 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3ivx h TYR 162 Cb 0.76 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3ivx h TYR 162 CO 1.16 0.72 0.21 0.37 -1.64 0.00 0.00 178.16 178.98 3ivx h GLN 163 N 0.18 0.41 -0.90 1.82 4.15 -1.88 -0.35 115.11 118.53 3ivx h GLN 163 Ca 0.05 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.54 3ivx h GLN 163 Cb 0.56 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 3ivx h GLN 163 CO 0.03 0.27 0.55 0.37 -1.93 0.00 0.00 178.83 178.12 3ivx h GLN 164 N 0.42 0.90 -0.39 1.69 4.15 -1.92 -1.52 115.11 118.43 3ivx h GLN 164 Ca 0.23 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 3ivx h GLN 164 Cb 0.20 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ivx h GLN 164 CO -0.20 0.60 0.11 1.25 -1.93 0.00 0.00 178.83 178.66 3ivx h LEU 165 N 0.93 0.57 -0.51 -2.39 5.85 -0.38 -0.38 115.31 118.99 3ivx h LEU 165 Ca 0.43 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3ivx h LEU 165 Cb 0.34 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3ivx h LEU 165 CO -0.23 0.63 0.32 0.58 -0.34 0.00 0.00 178.44 179.41 3ivx h VAL 166 N 0.48 1.14 -0.70 1.05 2.07 -0.82 -0.99 116.25 118.49 3ivx h VAL 166 Ca 0.12 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3ivx h VAL 166 Cb 0.27 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3ivx h VAL 166 CO -0.00 0.14 0.36 -0.07 0.02 0.00 0.00 177.57 178.02 3ivx h LEU 167 N 0.69 0.88 -0.67 2.57 3.38 -0.99 0.05 115.31 121.22 3ivx h LEU 167 Ca 0.19 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3ivx h LEU 167 Cb -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3ivx h LEU 167 CO -0.04 0.72 -0.23 0.40 0.09 0.00 0.00 178.44 179.39 3ivx h ILE 168 N 0.98 1.27 -0.72 1.22 2.04 -0.50 -0.17 117.51 121.62 3ivx h ILE 168 Ca 0.25 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3ivx h ILE 168 Cb 0.06 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3ivx h ILE 168 CO -0.04 0.45 0.33 0.03 0.00 0.00 0.00 178.15 178.93 3ivx h ARG 169 N 0.69 1.04 -0.42 2.37 3.08 -0.59 -1.41 114.38 119.15 3ivx h ARG 169 Ca 0.09 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ivx h ARG 169 Cb 0.75 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3ivx h ARG 169 CO 0.06 0.82 0.20 1.96 -1.07 0.00 0.00 179.97 181.94 3ivx h GLN 170 N 1.03 0.61 -0.45 0.04 4.20 -0.35 -1.35 115.11 118.84 3ivx h GLN 170 Ca 0.25 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3ivx h GLN 170 Cb 0.13 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 3ivx h GLN 170 CO -0.03 0.53 0.09 1.25 -0.67 0.00 0.00 178.83 180.00 3ivx h LEU 171 N 0.55 0.01 -0.34 1.46 5.85 -0.61 0.24 115.31 122.45 3ivx h LEU 171 Ca 0.15 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3ivx h LEU 171 Cb 0.12 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3ivx h LEU 171 CO -0.02 0.04 0.01 0.58 -0.34 0.00 0.00 178.44 178.71 3ivx h VAL 172 N 0.22 1.25 -0.20 1.05 2.07 -1.10 0.16 116.25 119.70 3ivx h VAL 172 Ca 0.22 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ivx h VAL 172 Cb 0.28 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3ivx h VAL 172 CO -0.29 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.61 3ivx h ALA 173 N 0.87 0.27 0.00 1.67 0.00 -1.05 0.25 119.26 121.27 3ivx h ALA 173 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ivx h ALA 173 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ivx h ALA 173 CO 0.02 -0.00 -0.55 -0.44 0.00 0.00 0.00 179.25 178.27 3ivx h ASP 174 N 0.12 0.00 -0.65 0.00 3.32 -0.36 -2.51 116.42 116.33 3ivx h ASP 174 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ivx h ASP 174 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ivx h ASP 174 CO 0.01 0.55 0.00 0.49 -1.72 0.00 0.00 179.24 178.58 3ivx n PHE 175 N -3.67 1.32 -3.65 4.55 3.72 0.03 -4.96 117.46 114.80 3ivx n PHE 175 Ca -0.01 -0.59 -0.28 0.00 -0.05 0.00 0.00 57.45 56.53 3ivx n PHE 175 Cb 0.60 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 3ivx n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ivx n ASN 176 N 1.19 -4.56 -4.76 4.37 4.13 -0.95 -4.92 115.26 109.76 3ivx n ASN 176 Ca 0.25 -0.61 -0.40 0.00 1.68 0.00 0.00 54.58 55.50 3ivx n ASN 176 Cb 0.81 -3.69 -0.03 0.00 -1.54 0.00 0.00 39.78 35.33 3ivx n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ivx s LEU 177 N -6.97 4.48 -1.21 3.41 1.43 0.05 -4.93 118.68 114.94 3ivx s LEU 177 Ca 0.55 2.45 -0.07 0.00 -1.03 0.00 0.00 54.13 56.03 3ivx s LEU 177 Cb -0.28 -3.66 0.21 0.00 0.03 0.00 0.00 46.19 42.49 3ivx s LEU 177 CO 0.67 -0.33 1.82 -0.67 0.23 0.00 0.00 176.35 178.07 3ivx n ASP 178 N 0.96 5.97 -3.80 2.29 2.03 -1.26 -4.87 116.55 117.87 3ivx n ASP 178 Ca -0.00 -3.24 -0.12 0.00 0.52 0.00 0.00 54.79 51.94 3ivx n ASP 178 Cb 0.44 -1.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.35 3ivx n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ivx s VAL 179 N -1.01 0.04 -0.13 5.18 0.11 -1.26 -4.82 120.40 118.52 3ivx s VAL 179 Ca 0.39 -0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 3ivx s VAL 179 Cb 0.10 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 3ivx s VAL 179 CO 0.02 -0.20 0.32 0.00 -3.33 0.00 0.00 175.10 171.90 3ivx s ALA 180 N -0.81 3.61 -0.23 1.54 0.00 -0.50 -4.96 121.76 120.40 3ivx s ALA 180 Ca -0.09 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 3ivx s ALA 180 Cb -0.05 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3ivx s ALA 180 CO 0.02 0.17 0.39 0.08 0.00 0.00 0.00 175.76 176.42 3ivx s VAL 181 N 0.17 5.19 -0.25 0.00 1.01 -1.26 -0.87 120.40 124.39 3ivx s VAL 181 Ca 0.19 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 3ivx s VAL 181 Cb -0.14 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3ivx s VAL 181 CO 0.06 0.21 -0.04 -0.69 0.00 0.00 0.00 175.10 174.64 3ivx s VAL 182 N 1.66 3.18 0.01 2.92 1.01 -0.08 -4.97 120.40 124.13 3ivx s VAL 182 Ca 0.17 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3ivx s VAL 182 Cb -0.15 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 3ivx s VAL 182 CO 0.09 0.25 0.51 -0.83 0.00 0.00 0.00 175.10 175.12 3ivx s GLY 183 N 1.40 2.56 -0.14 4.51 0.00 -1.26 -1.81 107.32 112.58 3ivx s GLY 183 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3ivx s GLY 183 CO -0.03 0.46 -0.20 0.14 0.00 0.00 0.00 173.10 173.47 3ivx s VAL 184 N -0.67 2.23 0.43 1.40 1.01 0.35 -4.91 120.40 120.24 3ivx s VAL 184 Ca 0.27 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 3ivx s VAL 184 Cb -0.18 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 3ivx s VAL 184 CO 0.16 0.54 1.26 -2.65 0.00 0.00 0.00 175.10 174.40 3ivx n PRO 185 N 3.98 1.87 -1.70 2.72 -0.02 -1.26 -0.69 135.00 139.90 3ivx n PRO 185 Ca -0.20 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 3ivx n PRO 185 Cb 0.52 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3ivx n PRO 185 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ivx n THR 186 N -0.28 0.06 -2.75 3.45 -1.04 -1.26 -4.76 114.28 107.69 3ivx n THR 186 Ca 0.07 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 3ivx n THR 186 Cb 0.40 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 3ivx n THR 186 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ivx s VAL 187 N 1.32 4.21 0.13 12.58 1.01 -1.26 -4.99 120.40 133.41 3ivx s VAL 187 Ca 0.78 2.07 0.09 0.00 0.00 0.00 0.00 61.98 64.92 3ivx s VAL 187 Cb -0.57 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 3ivx s VAL 187 CO 0.35 0.45 -0.20 -0.13 0.00 0.00 0.00 175.10 175.57 3ivx s ARG 188 N -0.83 1.21 1.09 2.72 0.52 -1.26 -1.13 118.95 121.27 3ivx s ARG 188 Ca 0.43 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.23 3ivx s ARG 188 Cb -0.25 -1.39 0.24 0.00 0.52 0.00 0.00 34.95 34.07 3ivx s ARG 188 CO 0.31 0.31 1.06 -1.21 0.02 0.00 0.00 175.30 175.78 3ivx s GLU 189 N -2.31 -0.32 0.53 3.54 0.41 0.10 -4.84 118.70 115.80 3ivx s GLU 189 Ca 0.11 0.86 0.19 0.00 -0.41 0.00 0.00 54.97 55.72 3ivx s GLU 189 Cb -0.08 -1.62 1.38 0.00 -1.78 0.00 0.00 34.13 32.02 3ivx s GLU 189 CO 0.05 -3.33 2.16 0.00 -0.49 0.00 0.00 175.26 173.65 3ivx h ALA 190 N -2.34 1.86 -0.00 5.21 0.00 -2.01 0.30 119.26 122.28 3ivx h ALA 190 Ca -0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ivx h ALA 190 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ivx h ALA 190 CO 0.51 0.02 -0.16 -0.40 0.00 0.00 0.00 179.25 179.22 3ivx n ASP 191 N -4.35 0.27 0.00 0.00 5.75 -1.26 -4.92 116.55 112.04 3ivx n ASP 191 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 3ivx n ASP 191 Cb 0.10 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3ivx n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ivx n GLY 192 N 1.42 0.78 3.67 6.12 0.00 0.11 -4.89 105.19 112.41 3ivx n GLY 192 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3ivx n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ivx n LEU 193 N 0.00 3.70 -4.68 0.99 7.94 -1.25 -4.59 117.00 119.10 3ivx n LEU 193 Ca 0.00 0.95 -0.45 0.00 -1.11 0.00 0.00 56.01 55.40 3ivx n LEU 193 Cb 0.00 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.49 3ivx n LEU 193 CO 0.00 0.04 1.10 0.00 -1.11 0.00 0.00 177.39 177.42 3ivx n ALA 194 N 6.88 1.38 -1.75 1.96 0.00 -1.26 0.00 120.51 127.72 3ivx n ALA 194 Ca 0.22 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.66 3ivx n ALA 194 Cb 0.33 -2.32 -0.00 0.00 0.00 0.00 0.00 19.45 17.46 3ivx n ALA 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ivx n MET 195 N 2.54 2.43 -3.61 0.00 2.81 -0.29 -4.81 117.12 116.21 3ivx n MET 195 Ca 0.13 0.85 -0.12 0.00 -1.81 0.00 0.00 57.70 56.75 3ivx n MET 195 Cb 0.31 -2.54 -0.07 0.00 -0.71 0.00 0.00 33.22 30.22 3ivx n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ivx s SER 196 N -0.23 -0.56 0.00 7.83 0.15 -1.26 -4.98 113.70 114.65 3ivx s SER 196 Ca 0.55 0.93 0.15 0.00 0.70 0.00 0.00 55.95 58.28 3ivx s SER 196 Cb -0.51 0.89 0.92 0.00 -1.71 0.00 0.00 66.02 65.62 3ivx s SER 196 CO 0.63 -0.29 1.34 -1.20 1.20 0.00 0.00 173.24 174.92 3ivx n SER 197 N 1.87 0.00 -0.00 5.45 7.64 -1.26 -2.12 113.62 125.19 3ivx n SER 197 Ca -0.14 -0.52 0.10 0.00 1.01 0.00 0.00 58.87 59.33 3ivx n SER 197 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 3ivx n SER 197 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ivx n ARG 198 N -0.98 0.18 0.19 1.43 1.74 -1.26 -4.41 116.66 113.54 3ivx n ARG 198 Ca 0.12 -0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 3ivx n ARG 198 Cb 0.05 -1.51 0.71 0.00 -1.02 0.00 0.00 32.46 30.69 3ivx n ARG 198 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3ivx h ASN 199 N 0.00 0.00 -0.00 0.55 2.35 -1.80 -1.13 115.58 115.54 3ivx h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ivx h ASN 199 Cb 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3ivx h ASN 199 CO 0.00 0.00 0.01 0.08 -1.65 0.00 0.00 177.43 175.87 3ivx h ARG 200 N 0.00 0.00 -0.01 0.81 0.11 -1.77 -2.42 114.38 111.09 3ivx h ARG 200 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 3ivx h ARG 200 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3ivx h ARG 200 CO -0.00 0.00 -0.05 0.66 0.10 0.00 0.00 179.97 180.68 3ivx n TYR 201 N -3.29 0.00 -2.97 4.08 4.01 -0.43 -4.83 117.16 113.72 3ivx n TYR 201 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 3ivx n TYR 201 Cb 0.08 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 3ivx n TYR 201 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ivx s LEU 202 N -2.15 4.23 0.94 7.72 1.43 -0.91 -4.87 118.68 125.06 3ivx s LEU 202 Ca 0.37 1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.48 3ivx s LEU 202 Cb 0.21 -3.14 0.16 0.00 0.03 0.00 0.00 46.19 43.45 3ivx s LEU 202 CO 0.39 -0.28 1.16 1.51 0.23 0.00 0.00 176.35 179.37 3ivx s ASP 203 N 1.04 3.25 0.29 2.29 1.47 -1.26 -4.58 116.67 119.17 3ivx s ASP 203 Ca 0.37 0.82 0.04 0.00 1.18 0.00 0.00 52.55 54.95 3ivx s ASP 203 Cb -0.17 -1.28 0.69 0.00 -0.34 0.00 0.00 42.92 41.83 3ivx s ASP 203 CO 0.15 -2.70 1.75 -0.65 0.68 0.00 0.00 175.17 174.40 3ivx h PRO 204 N -1.60 0.61 -0.26 2.11 0.11 -1.98 0.51 132.00 131.50 3ivx h PRO 204 Ca -0.49 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3ivx h PRO 204 Cb 1.31 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3ivx h PRO 204 CO 0.56 0.40 -0.07 0.00 -0.21 0.00 0.00 178.00 178.68 3ivx h ALA 205 N 1.64 0.35 -0.54 -0.75 0.00 -1.99 -1.27 119.26 116.70 3ivx h ALA 205 Ca 0.55 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3ivx h ALA 205 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ivx h ALA 205 CO -0.42 0.17 0.05 1.96 0.00 0.00 0.00 179.25 181.02 3ivx h GLN 206 N 0.24 0.92 -0.45 0.00 4.20 -1.68 -1.45 115.11 116.89 3ivx h GLN 206 Ca 0.06 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.56 3ivx h GLN 206 Cb 0.55 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 3ivx h GLN 206 CO 0.03 0.91 0.17 -0.09 -0.67 0.00 0.00 178.83 179.18 3ivx h ARG 207 N 0.81 0.34 -0.15 1.46 9.65 0.12 0.66 114.38 127.27 3ivx h ARG 207 Ca 0.16 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.07 3ivx h ARG 207 Cb 0.46 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 3ivx h ARG 207 CO 0.02 0.22 -0.18 0.00 2.80 0.00 0.00 179.97 182.83 3ivx h ALA 208 N 1.29 -0.11 0.00 2.80 0.00 -1.02 -3.01 119.26 119.21 3ivx h ALA 208 Ca 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3ivx h ALA 208 Cb 0.19 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ivx h ALA 208 CO -0.20 -0.63 -0.29 0.00 0.00 0.00 0.00 179.25 178.13 3ivx h ALA 209 N 0.82 1.49 0.00 0.00 0.00 -0.65 -3.18 119.26 117.73 3ivx h ALA 209 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ivx h ALA 209 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ivx h ALA 209 CO -0.28 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 3ivx h ALA 210 N 1.71 1.11 -0.06 0.00 0.00 -0.74 -1.07 119.26 120.21 3ivx h ALA 210 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ivx h ALA 210 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ivx h ALA 210 CO 0.04 0.04 0.16 -0.24 0.00 0.00 0.00 179.25 179.24 3ivx h VAL 211 N 0.00 0.19 -0.12 0.00 3.04 -1.65 -2.60 116.25 115.12 3ivx h VAL 211 Ca -0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3ivx h VAL 211 Cb 0.20 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 3ivx h VAL 211 CO 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 177.57 176.62 3ivx h ALA 212 N 1.75 1.87 0.55 3.17 0.00 -1.45 -1.50 119.26 123.65 3ivx h ALA 212 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ivx h ALA 212 Cb 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ivx h ALA 212 CO -0.00 0.11 -0.26 -0.07 0.00 0.00 0.00 179.25 179.03 3ivx h LEU 213 N 0.17 -0.62 -0.69 0.00 4.07 -1.70 0.07 115.31 116.61 3ivx h LEU 213 Ca 0.04 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.89 3ivx h LEU 213 Cb 0.03 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3ivx h LEU 213 CO -0.01 -0.42 -0.20 0.77 -1.08 0.00 0.00 178.44 177.51 3ivx h SER 214 N -0.78 0.82 -0.54 -0.43 4.64 -1.72 -1.98 113.55 113.56 3ivx h SER 214 Ca -0.08 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3ivx h SER 214 Cb 0.58 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3ivx h SER 214 CO 0.12 1.00 0.30 0.00 -0.87 0.00 0.00 176.83 177.38 3ivx h ALA 215 N 1.06 0.70 -0.27 5.18 0.00 -1.25 -1.16 119.26 123.53 3ivx h ALA 215 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ivx h ALA 215 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ivx h ALA 215 CO 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.40 3ivx h ALA 216 N 1.27 0.35 -0.45 0.00 0.00 -0.71 -0.57 119.26 119.14 3ivx h ALA 216 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ivx h ALA 216 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ivx h ALA 216 CO -0.14 -0.08 0.23 -0.07 0.00 0.00 0.00 179.25 179.19 3ivx h LEU 217 N 0.29 0.58 -0.18 0.00 3.38 -1.14 -0.58 115.31 117.67 3ivx h LEU 217 Ca 0.09 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 3ivx h LEU 217 Cb 0.15 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ivx h LEU 217 CO -0.01 0.53 -0.84 0.71 0.09 0.00 0.00 178.44 178.92 3ivx h THR 218 N 0.59 1.31 -0.38 0.22 1.35 -1.17 -0.19 112.91 114.64 3ivx h THR 218 Ca 0.16 -2.10 0.06 0.00 -0.55 0.00 0.00 66.41 63.97 3ivx h THR 218 Cb 0.10 2.13 -0.05 0.00 -1.73 0.00 0.00 68.15 68.59 3ivx h THR 218 CO -0.02 0.65 0.05 0.00 -0.25 0.00 0.00 175.52 175.95 3ivx h ALA 219 N 0.62 0.39 -0.90 6.62 0.00 -1.05 -2.23 119.26 122.71 3ivx h ALA 219 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ivx h ALA 219 Cb 1.46 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3ivx h ALA 219 CO 0.16 -0.35 0.51 0.00 0.00 0.00 0.00 179.25 179.57 3ivx h ALA 220 N 1.30 1.16 0.00 0.00 0.00 -0.70 0.18 119.26 121.19 3ivx h ALA 220 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ivx h ALA 220 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ivx h ALA 220 CO -0.26 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 3ivx h ALA 221 N 1.28 1.55 0.04 0.00 0.00 -0.44 -1.78 119.26 119.89 3ivx h ALA 221 Ca 0.32 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3ivx h ALA 221 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ivx h ALA 221 CO -0.05 0.22 -1.88 0.72 0.00 0.00 0.00 179.25 178.26 3ivx n HIS 222 N -4.09 0.97 0.30 0.00 8.25 -0.97 -3.77 115.22 115.91 3ivx n HIS 222 Ca -0.02 0.29 0.16 0.00 -0.26 0.00 0.00 57.72 57.89 3ivx n HIS 222 Cb 0.25 -1.16 0.94 0.00 1.12 0.00 0.00 29.99 31.15 3ivx n HIS 222 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ivx h ALA 223 N 0.68 1.49 0.00 -1.41 0.00 -0.33 -3.28 119.26 116.41 3ivx h ALA 223 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ivx h ALA 223 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3ivx h ALA 223 CO 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3ivx h ALA 224 N 1.99 1.00 -0.01 0.00 0.00 -1.42 -0.13 119.26 120.69 3ivx h ALA 224 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ivx h ALA 224 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ivx h ALA 224 CO -0.00 0.00 0.01 1.79 0.00 0.00 0.00 179.25 181.05 3ivx h THR 225 N 0.00 0.60 -0.15 0.00 1.35 -1.80 -0.40 112.91 112.51 3ivx h THR 225 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ivx h THR 225 Cb 0.10 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3ivx h THR 225 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3ivx n ALA 226 N -2.36 2.51 0.00 6.62 0.00 -0.06 -4.24 120.51 122.98 3ivx n ALA 226 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3ivx n ALA 226 Cb 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3ivx n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ivx n GLY 227 N 1.25 0.72 0.18 0.00 0.00 -0.73 -4.53 105.19 102.07 3ivx n GLY 227 Ca 0.17 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 3ivx n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ivx h ALA 228 N 0.00 0.30 -0.47 4.61 0.00 -1.94 -2.23 119.26 119.54 3ivx h ALA 228 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ivx h ALA 228 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ivx h ALA 228 CO 0.00 0.34 0.31 0.37 0.00 0.00 0.00 179.25 180.27 3ivx h GLN 229 N 0.22 0.62 -0.74 0.00 5.75 -1.98 -1.46 115.11 117.53 3ivx h GLN 229 Ca 0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3ivx h GLN 229 Cb 0.91 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 3ivx h GLN 229 CO 0.07 0.42 0.47 0.00 -2.65 0.00 0.00 178.83 177.14 3ivx h ALA 230 N 1.17 0.94 0.27 3.38 0.00 -1.78 0.24 119.26 123.48 3ivx h ALA 230 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ivx h ALA 230 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3ivx h ALA 230 CO -0.04 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 3ivx h ALA 231 N 1.26 -0.37 -0.73 0.00 0.00 -0.84 -0.19 119.26 118.38 3ivx h ALA 231 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ivx h ALA 231 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ivx h ALA 231 CO -0.06 -0.69 0.36 -0.07 0.00 0.00 0.00 179.25 178.79 3ivx h LEU 232 N -0.39 0.95 -0.83 0.00 3.38 -1.18 -1.63 115.31 115.62 3ivx h LEU 232 Ca -0.04 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3ivx h LEU 232 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ivx h LEU 232 CO 0.06 0.81 -0.25 0.44 0.09 0.00 0.00 178.44 179.59 3ivx h ASP 233 N 1.02 0.60 -0.19 -0.43 3.32 -0.84 0.08 116.42 119.99 3ivx h ASP 233 Ca 0.25 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3ivx h ASP 233 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ivx h ASP 233 CO -0.03 0.84 0.01 0.00 -1.72 0.00 0.00 179.24 178.33 3ivx h ALA 234 N 1.21 0.25 -0.37 3.45 0.00 -0.64 -1.40 119.26 121.77 3ivx h ALA 234 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ivx h ALA 234 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ivx h ALA 234 CO 0.05 -0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.46 3ivx h ALA 235 N 0.79 0.46 -0.70 0.00 0.00 -1.11 -2.33 119.26 116.37 3ivx h ALA 235 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ivx h ALA 235 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3ivx h ALA 235 CO 0.01 -0.16 0.46 -0.09 0.00 0.00 0.00 179.25 179.47 3ivx h ARG 236 N 0.41 0.91 -0.55 0.00 9.65 -0.85 -1.34 114.38 122.61 3ivx h ARG 236 Ca 0.15 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.02 3ivx h ARG 236 Cb 0.03 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.36 3ivx h ARG 236 CO -0.09 0.60 0.28 0.00 2.80 0.00 0.00 179.97 183.57 3ivx h ALA 237 N 1.26 0.71 -0.11 2.80 0.00 -0.99 0.18 119.26 123.11 3ivx h ALA 237 Ca 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3ivx h ALA 237 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ivx h ALA 237 CO -0.06 -0.06 -0.06 0.28 0.00 0.00 0.00 179.25 179.35 3ivx h VAL 238 N 0.54 1.33 -0.99 0.00 2.07 -0.98 -1.46 116.25 116.76 3ivx h VAL 238 Ca 0.25 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.72 3ivx h VAL 238 Cb 0.15 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 3ivx h VAL 238 CO -0.17 0.32 0.64 -0.07 0.02 0.00 0.00 177.57 178.31 3ivx h LEU 239 N -0.14 1.00 -1.23 2.57 3.38 -1.12 -2.61 115.31 117.16 3ivx h LEU 239 Ca 0.02 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3ivx h LEU 239 Cb 0.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ivx h LEU 239 CO 0.02 0.61 -0.32 0.44 0.09 0.00 0.00 178.44 179.28 3ivx h ASP 240 N 1.12 0.00 1.38 -0.43 3.32 -0.41 -2.71 116.42 118.68 3ivx h ASP 240 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3ivx h ASP 240 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3ivx h ASP 240 CO -0.19 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 3ivx h ALA 241 N 1.68 1.00 -2.73 3.45 0.00 -0.87 -3.46 119.26 118.33 3ivx h ALA 241 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 3ivx h ALA 241 Cb 0.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3ivx h ALA 241 CO 0.04 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.32 3ivx s ALA 242 N -3.21 3.46 0.04 0.00 0.00 -1.02 -5.01 121.76 116.02 3ivx s ALA 242 Ca 0.08 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 3ivx s ALA 242 Cb 0.10 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 3ivx s ALA 242 CO 0.56 0.15 1.23 -1.25 0.00 0.00 0.00 175.76 176.45 3ivx s PRO 243 N -0.19 4.40 -0.34 0.00 0.04 -1.26 -3.54 135.00 134.10 3ivx s PRO 243 Ca 0.33 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3ivx s PRO 243 Cb -0.19 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3ivx s PRO 243 CO 0.19 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.31 3ivx n GLY 244 N 3.30 0.59 3.56 0.56 0.00 -1.26 -4.80 105.19 107.14 3ivx n GLY 244 Ca 0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3ivx n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ivx s VAL 245 N -1.89 4.80 -0.38 1.61 1.01 -1.23 -4.33 120.40 119.98 3ivx s VAL 245 Ca 0.00 0.60 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 3ivx s VAL 245 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3ivx s VAL 245 CO 0.00 -0.45 0.31 0.00 0.00 0.00 0.00 175.10 174.97 3ivx s ALA 246 N 2.93 3.48 0.01 5.51 0.00 -0.08 -4.94 121.76 128.67 3ivx s ALA 246 Ca 0.27 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 3ivx s ALA 246 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3ivx s ALA 246 CO 0.17 -1.29 1.13 0.08 0.00 0.00 0.00 175.76 175.84 3ivx s VAL 247 N 1.81 4.36 0.00 0.00 1.01 -1.26 0.45 120.40 126.77 3ivx s VAL 247 Ca 0.07 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.74 3ivx s VAL 247 Cb -0.18 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3ivx s VAL 247 CO 0.11 0.10 0.06 -0.67 0.00 0.00 0.00 175.10 174.70 3ivx n ASP 248 N 4.23 0.00 -4.04 3.32 -0.08 0.07 -4.92 116.55 115.13 3ivx n ASP 248 Ca 0.08 0.50 -0.09 0.00 -1.51 0.00 0.00 54.79 53.77 3ivx n ASP 248 Cb 0.48 -0.47 -0.11 0.00 2.34 0.00 0.00 41.12 43.36 3ivx n ASP 248 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3ivx s TYR 249 N -1.06 0.47 -0.15 -0.67 -0.85 -1.10 -5.00 117.35 108.99 3ivx s TYR 249 Ca 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 55.81 3ivx s TYR 249 Cb 0.00 -0.32 0.05 0.00 0.38 0.00 0.00 41.96 42.08 3ivx s TYR 249 CO 0.00 -0.21 0.06 -1.17 -1.52 0.00 0.00 175.55 172.71 3ivx s LEU 250 N -2.02 0.57 -0.00 -3.49 2.96 -1.26 -1.73 118.68 113.71 3ivx s LEU 250 Ca -0.06 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.33 3ivx s LEU 250 Cb -0.04 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.31 3ivx s LEU 250 CO -0.03 -0.31 0.01 -1.61 -1.32 0.00 0.00 176.35 173.08 3ivx s GLU 251 N 2.05 0.00 -0.21 1.98 2.02 0.22 -4.98 118.70 119.77 3ivx s GLU 251 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 3ivx s GLU 251 Cb -0.15 -0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.04 3ivx s GLU 251 CO -0.08 -0.02 -0.02 -1.17 0.02 0.00 0.00 175.26 174.00 3ivx s LEU 252 N 0.10 3.07 0.21 1.80 2.96 -1.26 -0.30 118.68 125.26 3ivx s LEU 252 Ca -0.01 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3ivx s LEU 252 Cb -0.01 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3ivx s LEU 252 CO -0.00 0.01 0.03 -0.13 -1.32 0.00 0.00 176.35 174.94 3ivx s ARG 253 N 1.29 1.25 0.86 1.98 0.52 -0.22 -4.94 118.95 119.70 3ivx s ARG 253 Ca 0.04 -1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 53.50 3ivx s ARG 253 Cb -0.14 -0.35 0.10 0.00 0.52 0.00 0.00 34.95 35.08 3ivx s ARG 253 CO -0.00 -0.17 1.09 -3.47 0.02 0.00 0.00 175.30 172.77 3ivx n ASP 254 N -0.35 0.39 -0.03 0.23 2.03 -1.26 -0.35 116.55 117.21 3ivx n ASP 254 Ca -0.04 0.49 0.08 0.00 0.52 0.00 0.00 54.79 55.84 3ivx n ASP 254 Cb 0.64 -1.46 0.47 0.00 -0.72 0.00 0.00 41.12 40.05 3ivx n ASP 254 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3ivx h ILE 255 N -1.36 1.00 -0.01 5.18 3.07 -1.84 0.30 117.51 123.85 3ivx h ILE 255 Ca -0.45 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.80 3ivx h ILE 255 Cb 1.29 0.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3ivx h ILE 255 CO 0.43 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 3ivx n GLY 256 N -1.50 -0.66 2.73 0.16 0.00 -1.26 -4.89 105.19 99.77 3ivx n GLY 256 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 3ivx n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ivx n LEU 257 N -0.59 0.43 0.00 0.99 4.77 0.09 -4.93 117.00 117.77 3ivx n LEU 257 Ca 0.22 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 3ivx n LEU 257 Cb 0.19 -2.21 0.05 0.00 -2.33 0.00 0.00 43.42 39.12 3ivx n LEU 257 CO 0.17 -0.84 0.21 0.61 -1.33 0.00 0.00 177.39 176.21 3ivx n GLY 258 N 0.61 0.04 2.48 -0.72 0.00 -1.26 -4.91 105.19 101.42 3ivx n GLY 258 Ca -0.03 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 3ivx n GLY 258 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ivx n PRO 259 N -1.69 2.80 -3.87 1.61 -0.04 -1.26 -4.79 135.00 127.76 3ivx n PRO 259 Ca 0.05 -1.78 -0.11 0.00 -0.04 0.00 0.00 63.50 61.62 3ivx n PRO 259 Cb 0.19 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 3ivx n PRO 259 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ivx s MET 260 N 2.86 0.46 0.66 0.54 0.23 -1.26 -5.15 119.30 117.64 3ivx s MET 260 Ca 0.53 -0.37 -0.14 0.00 -1.03 0.00 0.00 55.69 54.68 3ivx s MET 260 Cb 0.14 0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.63 3ivx s MET 260 CO -0.05 -0.11 1.10 -2.14 -2.03 0.00 0.00 175.02 171.80 3ivx s PRO 261 N -1.30 2.83 0.28 3.16 0.02 -1.26 -4.55 135.00 134.18 3ivx s PRO 261 Ca -0.14 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 61.91 3ivx s PRO 261 Cb -0.07 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 3ivx s PRO 261 CO 0.01 -1.22 1.52 -1.17 -0.33 0.00 0.00 177.00 175.82 3ivx s LEU 262 N -4.95 4.36 0.00 -5.54 2.96 -1.26 -4.74 118.68 109.51 3ivx s LEU 262 Ca 0.65 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 57.41 3ivx s LEU 262 Cb -0.19 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.87 3ivx s LEU 262 CO 0.43 -0.82 0.00 -0.46 -1.32 0.00 0.00 176.35 174.18 3ivx n ASN 263 N 2.10 0.00 0.01 3.68 2.04 -1.26 -4.99 115.26 116.84 3ivx n ASN 263 Ca 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.20 3ivx n ASN 263 Cb 0.39 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.54 3ivx n ASN 263 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ivx n GLY 264 N 5.00 -1.14 3.29 4.83 0.00 -1.26 -4.80 105.19 111.11 3ivx n GLY 264 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3ivx n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ivx s SER 265 N -5.71 3.70 0.35 1.61 0.01 -1.26 0.14 113.70 112.54 3ivx s SER 265 Ca -0.04 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.83 3ivx s SER 265 Cb 0.09 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 3ivx s SER 265 CO 0.82 0.12 0.35 0.61 0.41 0.00 0.00 173.24 175.55 3ivx n GLY 266 N 3.84 2.64 2.99 3.44 0.00 0.84 -3.99 105.19 114.95 3ivx n GLY 266 Ca -0.19 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 3ivx n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ivx s ARG 267 N -3.22 1.32 -0.21 1.61 6.06 0.53 -1.51 118.95 123.52 3ivx s ARG 267 Ca 0.38 -0.32 -0.08 0.00 -2.50 0.00 0.00 55.73 53.21 3ivx s ARG 267 Cb 0.01 -1.15 -0.04 0.00 0.06 0.00 0.00 34.95 33.83 3ivx s ARG 267 CO 0.27 0.03 0.08 -1.17 -2.50 0.00 0.00 175.30 172.00 3ivx s LEU 268 N 0.59 3.72 -0.04 -0.88 2.96 0.20 -1.05 118.68 124.18 3ivx s LEU 268 Ca -0.11 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 3ivx s LEU 268 Cb -0.14 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3ivx s LEU 268 CO 0.02 0.09 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.14 3ivx s LEU 269 N 0.89 2.05 0.02 -0.68 1.02 0.59 -1.00 118.68 121.56 3ivx s LEU 269 Ca 0.04 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.77 3ivx s LEU 269 Cb -0.14 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 3ivx s LEU 269 CO 0.03 0.27 -0.13 0.54 0.02 0.00 0.00 176.35 177.07 3ivx s VAL 270 N -0.36 1.04 -0.03 -1.59 0.11 -0.17 -0.61 120.40 118.78 3ivx s VAL 270 Ca 0.03 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3ivx s VAL 270 Cb -0.11 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3ivx s VAL 270 CO 0.01 0.12 -0.11 0.00 -3.33 0.00 0.00 175.10 171.80 3ivx s ALA 271 N -0.60 0.99 0.04 1.54 0.00 -0.71 -1.54 121.76 121.48 3ivx s ALA 271 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3ivx s ALA 271 Cb -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3ivx s ALA 271 CO 0.00 0.17 0.24 0.00 0.00 0.00 0.00 175.76 176.17 3ivx s ALA 272 N 0.16 -0.51 -0.10 0.00 0.00 -0.16 -0.75 121.76 120.40 3ivx s ALA 272 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 3ivx s ALA 272 Cb -0.09 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3ivx s ALA 272 CO 0.01 -0.37 -0.04 1.03 0.00 0.00 0.00 175.76 176.39 3ivx s ARG 273 N -2.42 3.10 -0.29 0.00 0.52 0.17 0.16 118.95 120.19 3ivx s ARG 273 Ca -0.06 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3ivx s ARG 273 Cb -0.02 -2.74 0.08 0.00 0.52 0.00 0.00 34.95 32.79 3ivx s ARG 273 CO -0.03 0.54 -0.04 -0.51 0.02 0.00 0.00 175.30 175.28 3ivx s LEU 274 N -0.46 3.79 0.00 2.53 1.02 0.23 -0.91 118.68 124.88 3ivx s LEU 274 Ca 0.07 -1.65 0.00 0.00 0.02 0.00 0.00 54.13 52.57 3ivx s LEU 274 Cb -0.12 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.57 3ivx s LEU 274 CO 0.02 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.73 3ivx n GLY 275 N 4.40 3.75 0.96 -3.19 0.00 -1.26 -1.83 105.19 108.03 3ivx n GLY 275 Ca -0.07 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3ivx n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ivx n THR 276 N 0.00 0.11 -3.24 2.61 -2.24 -1.26 -4.94 114.28 105.32 3ivx n THR 276 Ca 0.00 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 3ivx n THR 276 Cb 0.00 1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3ivx n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ivx s THR 277 N -1.89 5.10 -0.24 4.28 2.01 -0.76 -5.04 115.64 119.10 3ivx s THR 277 Ca 0.31 0.97 -0.11 0.00 0.31 0.00 0.00 61.69 63.17 3ivx s THR 277 Cb 0.21 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3ivx s THR 277 CO 0.31 0.17 0.18 -0.60 -0.69 0.00 0.00 174.62 173.99 3ivx s ARG 278 N 1.65 4.07 0.02 4.92 3.52 -1.26 -0.60 118.95 131.27 3ivx s ARG 278 Ca 0.24 -0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.66 3ivx s ARG 278 Cb -0.15 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3ivx s ARG 278 CO 0.10 0.03 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.01 3ivx s LEU 279 N 1.14 2.99 0.11 -0.88 1.43 0.12 -4.96 118.68 118.63 3ivx s LEU 279 Ca 0.08 -0.23 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3ivx s LEU 279 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3ivx s LEU 279 CO 0.05 0.27 -0.26 -0.76 0.23 0.00 0.00 176.35 175.88 3ivx s LEU 280 N -1.43 2.28 0.17 1.79 1.43 -1.26 -0.99 118.68 120.67 3ivx s LEU 280 Ca 0.16 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 3ivx s LEU 280 Cb -0.11 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3ivx s LEU 280 CO 0.07 0.20 0.51 -0.62 0.23 0.00 0.00 176.35 176.74 3ivx s ASP 281 N -1.82 -0.33 0.15 2.29 -1.08 -0.59 -4.91 116.67 110.39 3ivx s ASP 281 Ca 0.13 -0.33 -0.18 0.00 -0.52 0.00 0.00 52.55 51.65 3ivx s ASP 281 Cb -0.10 0.56 0.04 0.00 -1.46 0.00 0.00 42.92 41.96 3ivx s ASP 281 CO 0.05 -0.99 0.49 0.54 0.52 0.00 0.00 175.17 175.78 3ivx s ASN 282 N -2.83 -0.33 -0.03 -0.34 2.20 -1.26 -1.00 114.94 111.35 3ivx s ASN 282 Ca 0.06 -0.28 -0.15 0.00 -0.94 0.00 0.00 52.86 51.55 3ivx s ASN 282 Cb -0.00 0.54 0.03 0.00 -2.00 0.00 0.00 41.25 39.81 3ivx s ASN 282 CO -0.07 -0.94 0.33 -0.51 -2.94 0.00 0.00 177.10 172.96 3ivx s ILE 283 N -3.81 0.05 0.26 0.54 2.07 -0.17 -4.97 121.20 115.17 3ivx s ILE 283 Ca 0.04 -0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 58.57 3ivx s ILE 283 Cb 0.00 -0.61 -0.11 0.00 0.13 0.00 0.00 42.46 41.87 3ivx s ILE 283 CO -0.10 -0.23 1.54 0.00 -1.91 0.00 0.00 174.94 174.25 3ivx s ALA 284 N -1.17 3.72 -0.07 1.50 0.00 -1.26 -0.63 121.76 123.84 3ivx s ALA 284 Ca -0.12 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.33 3ivx s ALA 284 Cb -0.05 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.47 3ivx s ALA 284 CO 0.04 -0.88 -0.15 0.42 0.00 0.00 0.00 175.76 175.20 3ivx s ILE 285 N 0.14 1.35 -0.19 0.00 -1.09 -0.57 -4.86 121.20 115.99 3ivx s ILE 285 Ca 0.63 -0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 58.41 3ivx s ILE 285 Cb -0.45 -1.21 -0.01 0.00 -1.58 0.00 0.00 42.46 39.20 3ivx s ILE 285 CO 0.44 0.40 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.89 3ivx s GLU 286 N 0.60 3.46 -0.17 2.79 8.01 -1.26 -0.11 118.70 132.01 3ivx s GLU 286 Ca -0.15 -0.61 -0.14 0.00 0.01 0.00 0.00 54.97 54.08 3ivx s GLU 286 Cb -0.16 -2.92 -0.04 0.00 -4.31 0.00 0.00 34.13 26.70 3ivx s GLU 286 CO 0.05 -0.01 0.31 0.42 0.01 0.00 0.00 175.26 176.04 3ivx s ILE 287 N 0.98 5.28 0.00 -1.63 -1.09 0.12 -3.17 121.20 121.69 3ivx s ILE 287 Ca -0.00 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 3ivx s ILE 287 Cb -0.15 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3ivx s ILE 287 CO 0.00 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3ivx n GLY 288 N 3.55 0.53 3.59 6.18 0.00 -0.24 -4.08 105.19 114.72 3ivx n GLY 288 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3ivx n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ivx n THR 289 N -2.00 0.00 -1.49 2.61 -2.24 -1.19 -4.85 114.28 105.12 3ivx n THR 289 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ivx n THR 289 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3ivx n THR 289 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72