#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyl s SER 44 N 0.00 5.60 0.06 2.55 0.01 -1.26 -5.02 113.70 115.63 2oyl s SER 44 Ca 0.00 0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.34 2oyl s SER 44 Cb 0.00 -1.53 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2oyl s SER 44 CO 0.00 0.18 -0.16 -0.31 0.41 0.00 0.00 173.24 173.36 2oyl s TYR 45 N -1.38 1.40 0.52 2.43 1.51 -1.26 -4.17 117.35 116.40 2oyl s TYR 45 Ca 0.29 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.74 2oyl s TYR 45 Cb -0.12 -0.81 -0.06 0.00 -0.11 0.00 0.00 41.96 40.86 2oyl s TYR 45 CO 0.22 0.08 1.26 -0.51 -1.11 0.00 0.00 175.55 175.48 2oyl s LEU 46 N -1.40 3.88 0.18 -1.29 1.02 -1.26 -4.87 118.68 114.93 2oyl s LEU 46 Ca 0.02 2.52 0.10 0.00 0.02 0.00 0.00 54.13 56.79 2oyl s LEU 46 Cb -0.09 -4.32 -0.04 0.00 0.02 0.00 0.00 46.19 41.76 2oyl s LEU 46 CO 0.02 -1.33 -0.16 -0.54 0.02 0.00 0.00 176.35 174.37 2oyl s LYS 47 N -2.91 1.83 0.61 1.70 -0.14 -1.26 -1.15 119.74 118.41 2oyl s LYS 47 Ca 0.70 -1.36 -0.07 0.00 -1.36 0.00 0.00 55.97 53.88 2oyl s LYS 47 Cb -0.34 -2.04 0.13 0.00 -1.68 0.00 0.00 37.83 33.91 2oyl s LYS 47 CO 0.40 0.43 0.83 -0.40 -0.76 0.00 0.00 175.35 175.84 2oyl n ASP 48 N 0.21 0.45 0.16 2.83 5.68 -0.42 -4.93 116.55 120.54 2oyl n ASP 48 Ca -0.12 -1.54 0.13 0.00 -0.50 0.00 0.00 54.79 52.76 2oyl n ASP 48 Cb 0.55 -0.60 0.53 0.00 -1.14 0.00 0.00 41.12 40.47 2oyl n ASP 48 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2oyl h ASP 49 N -0.87 0.00 0.22 -1.12 3.32 -1.97 -1.59 116.42 114.42 2oyl h ASP 49 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2oyl h ASP 49 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2oyl h ASP 49 CO 0.23 0.00 -0.15 0.47 -1.72 0.00 0.00 179.24 178.07 2oyl n ASP 50 N -2.40 0.88 0.00 6.45 8.00 -1.26 -4.93 116.55 123.29 2oyl n ASP 50 Ca 0.02 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2oyl n ASP 50 Cb 0.24 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2oyl n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oyl n GLY 51 N 1.28 0.75 3.75 0.44 0.00 -0.60 -4.66 105.19 106.15 2oyl n GLY 51 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2oyl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oyl s ARG 52 N -0.49 4.85 0.03 1.61 0.52 -1.26 -4.70 118.95 119.50 2oyl s ARG 52 Ca 0.00 1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 56.40 2oyl s ARG 52 Cb 0.00 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2oyl s ARG 52 CO 0.00 0.51 1.06 -1.12 0.02 0.00 0.00 175.30 175.77 2oyl s SER 53 N -1.19 7.27 -0.21 0.23 0.01 0.09 -1.29 113.70 118.60 2oyl s SER 53 Ca 0.41 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 59.34 2oyl s SER 53 Cb -0.26 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.35 2oyl s SER 53 CO 0.32 -0.33 0.28 -0.76 0.41 0.00 0.00 173.24 173.16 2oyl s LEU 54 N 0.97 4.15 -0.37 2.44 1.43 -0.30 -0.61 118.68 126.39 2oyl s LEU 54 Ca 0.54 0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 2oyl s LEU 54 Cb -0.24 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2oyl s LEU 54 CO 0.29 0.01 0.18 -0.63 0.23 0.00 0.00 176.35 176.43 2oyl s ILE 55 N 1.08 4.36 -0.22 -0.59 1.01 -0.73 -4.61 121.20 121.50 2oyl s ILE 55 Ca 0.14 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 2oyl s ILE 55 Cb -0.14 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2oyl s ILE 55 CO 0.06 -0.23 0.11 -0.76 0.00 0.00 0.00 174.94 174.11 2oyl s LEU 56 N 1.51 3.88 -0.14 2.97 1.43 -1.26 -4.60 118.68 122.47 2oyl s LEU 56 Ca 0.01 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2oyl s LEU 56 Cb -0.19 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.05 2oyl s LEU 56 CO 0.06 0.08 0.02 -0.13 0.23 0.00 0.00 176.35 176.61 2oyl s ARG 57 N 0.92 0.61 0.00 1.70 1.81 -1.26 -0.79 118.95 121.94 2oyl s ARG 57 Ca 0.06 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.89 2oyl s ARG 57 Cb -0.13 -1.62 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 2oyl s ARG 57 CO 0.03 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 174.56 2oyl n GLY 58 N 5.10 2.39 3.45 -3.53 0.00 -0.41 -0.97 105.19 111.23 2oyl n GLY 58 Ca -0.08 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 2oyl n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oyl s PHE 59 N -2.08 2.12 -0.08 1.61 0.08 -1.24 -1.33 117.98 117.05 2oyl s PHE 59 Ca 0.00 -0.51 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 2oyl s PHE 59 Cb 0.00 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2oyl s PHE 59 CO 0.00 0.50 1.05 -0.80 -0.10 0.00 0.00 175.22 175.87 2oyl s ASN 60 N -3.48 7.21 -0.20 1.36 0.01 0.62 -1.32 114.94 119.15 2oyl s ASN 60 Ca 0.29 1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 54.02 2oyl s ASN 60 Cb -0.00 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.16 2oyl s ASN 60 CO 0.13 -0.46 0.04 -0.89 -1.51 0.00 0.00 177.10 174.41 2oyl s THR 61 N 1.96 0.51 0.16 1.60 2.01 -0.56 -1.26 115.64 120.06 2oyl s THR 61 Ca 0.50 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 2oyl s THR 61 Cb -0.20 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.29 2oyl s THR 61 CO 0.20 -0.23 0.42 0.00 -0.69 0.00 0.00 174.62 174.32 2oyl s ALA 62 N 1.86 -0.77 0.44 7.40 0.00 -1.26 -1.83 121.76 127.60 2oyl s ALA 62 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 51.96 51.82 2oyl s ALA 62 Cb -0.17 0.77 0.96 0.00 0.00 0.00 0.00 23.12 24.69 2oyl s ALA 62 CO -0.09 -0.70 2.00 1.03 0.00 0.00 0.00 175.76 178.00 2oyl h SER 63 N 2.34 0.11 -0.05 0.00 0.87 -1.99 -2.12 113.55 112.72 2oyl h SER 63 Ca -0.32 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2oyl h SER 63 Cb 1.25 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2oyl h SER 63 CO 0.44 0.23 0.13 0.77 -0.53 0.00 0.00 176.83 177.86 2oyl h SER 64 N 0.12 0.00 0.39 6.23 4.64 -1.96 -0.72 113.55 122.25 2oyl h SER 64 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2oyl h SER 64 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2oyl h SER 64 CO 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.79 2oyl h ALA 65 N 1.79 1.34 -0.90 5.18 0.00 -1.52 -3.20 119.26 121.95 2oyl h ALA 65 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2oyl h ALA 65 Cb 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2oyl h ALA 65 CO -0.00 0.23 0.59 0.87 0.00 0.00 0.00 179.25 180.95 2oyl h LYS 66 N 0.00 1.15 -0.01 0.00 1.57 -1.30 -2.95 116.57 115.03 2oyl h LYS 66 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2oyl h LYS 66 Cb 0.43 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2oyl h LYS 66 CO 0.02 0.76 -0.71 -1.13 -0.57 0.00 0.00 179.45 177.83 2oyl n SER 67 N -4.48 1.53 -4.67 0.86 3.41 -1.19 -1.74 113.62 107.33 2oyl n SER 67 Ca 0.11 -1.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 2oyl n SER 67 Cb 0.05 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 2oyl n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oyl s ALA 68 N -2.68 3.61 0.32 7.33 0.00 -1.12 -4.63 121.76 124.59 2oyl s ALA 68 Ca 0.13 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2oyl s ALA 68 Cb 0.17 -3.65 0.81 0.00 0.00 0.00 0.00 23.12 20.45 2oyl s ALA 68 CO 0.70 -1.13 1.77 -1.35 0.00 0.00 0.00 175.76 175.75 2oyl h PRO 69 N 8.47 0.67 -0.05 0.00 0.11 -1.93 0.78 132.00 140.05 2oyl h PRO 69 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2oyl h PRO 69 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2oyl h PRO 69 CO 0.94 0.44 0.00 -0.40 -0.21 0.00 0.00 178.00 178.77 2oyl n ASP 70 N -4.76 0.69 0.00 -2.05 5.75 -1.26 -4.92 116.55 110.01 2oyl n ASP 70 Ca 0.24 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2oyl n ASP 70 Cb 0.63 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2oyl n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2oyl n GLY 71 N 0.97 0.53 3.78 6.12 0.00 0.27 -4.97 105.19 111.89 2oyl n GLY 71 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2oyl n GLY 71 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oyl s MET 72 N -0.28 2.95 0.65 1.61 -1.94 -1.26 -4.84 119.30 116.18 2oyl s MET 72 Ca 0.00 -0.61 -0.15 0.00 -1.71 0.00 0.00 55.69 53.22 2oyl s MET 72 Cb 0.00 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 2oyl s MET 72 CO 0.00 0.60 1.10 -1.25 -0.01 0.00 0.00 175.02 175.46 2oyl s PRO 73 N -2.12 2.87 -1.34 2.03 0.04 -1.26 -4.07 135.00 131.15 2oyl s PRO 73 Ca 0.27 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 2oyl s PRO 73 Cb -0.12 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2oyl s PRO 73 CO 0.19 -1.19 2.10 1.04 0.04 0.00 0.00 177.00 179.18 2oyl n GLN 74 N -2.38 2.71 -3.70 4.56 6.02 -1.26 -4.81 117.38 118.52 2oyl n GLN 74 Ca 0.10 -2.62 -0.13 0.00 -0.01 0.00 0.00 57.00 54.35 2oyl n GLN 74 Cb 0.52 -3.29 -0.13 0.00 1.02 0.00 0.00 30.24 28.36 2oyl n GLN 74 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2oyl s PHE 75 N 3.82 -0.40 0.45 1.08 5.36 -1.26 -5.03 117.98 121.99 2oyl s PHE 75 Ca 0.50 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 57.47 2oyl s PHE 75 Cb 0.12 0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.83 2oyl s PHE 75 CO -0.03 -0.30 0.36 0.95 -1.46 0.00 0.00 175.22 174.74 2oyl s THR 76 N 1.79 2.33 0.34 0.12 -4.23 -1.26 -4.99 115.64 109.73 2oyl s THR 76 Ca -0.05 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2oyl s THR 76 Cb -0.11 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 71.13 2oyl s THR 76 CO -0.09 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 175.79 2oyl h GLU 77 N 1.01 0.53 -0.69 3.99 4.81 -2.00 -1.85 114.58 120.39 2oyl h GLU 77 Ca -0.40 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 2oyl h GLU 77 Cb 1.27 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2oyl h GLU 77 CO 0.59 0.54 0.21 0.00 -0.73 0.00 0.00 179.01 179.63 2oyl h ALA 78 N 1.51 1.07 -0.71 2.92 0.00 -1.99 -1.14 119.26 120.93 2oyl h ALA 78 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2oyl h ALA 78 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2oyl h ALA 78 CO 0.01 0.63 0.37 -0.44 0.00 0.00 0.00 179.25 179.82 2oyl h ASP 79 N 1.02 0.90 -0.69 0.00 3.32 -1.76 -1.73 116.42 117.47 2oyl h ASP 79 Ca 0.22 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2oyl h ASP 79 Cb 0.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2oyl h ASP 79 CO -0.01 0.75 0.27 0.25 -1.72 0.00 0.00 179.24 178.79 2oyl h LEU 80 N 0.98 0.96 -0.62 1.55 5.85 -0.98 -0.73 115.31 122.32 2oyl h LEU 80 Ca 0.25 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2oyl h LEU 80 Cb 0.07 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2oyl h LEU 80 CO -0.04 0.87 0.37 0.00 -0.34 0.00 0.00 178.44 179.31 2oyl h ALA 81 N 1.13 0.81 0.07 1.25 0.00 -0.97 -0.51 119.26 121.03 2oyl h ALA 81 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2oyl h ALA 81 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oyl h ALA 81 CO -0.02 0.11 -0.04 -0.09 0.00 0.00 0.00 179.25 179.21 2oyl h ARG 82 N 0.73 -0.10 -0.28 0.00 2.43 -0.96 -1.21 114.38 114.98 2oyl h ARG 82 Ca 0.25 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2oyl h ARG 82 Cb 0.04 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2oyl h ARG 82 CO -0.11 -0.07 -0.11 1.49 -1.51 0.00 0.00 179.97 179.65 2oyl h GLU 83 N -0.11 -0.07 -0.57 0.20 4.81 -0.80 -0.05 114.58 118.00 2oyl h GLU 83 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2oyl h GLU 83 Cb 0.09 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2oyl h GLU 83 CO 0.00 -0.04 0.23 -0.92 -0.73 0.00 0.00 179.01 177.55 2oyl h TYR 84 N -0.07 0.86 -0.79 0.92 3.20 -0.98 0.17 116.97 120.28 2oyl h TYR 84 Ca 0.14 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2oyl h TYR 84 Cb 0.28 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 2oyl h TYR 84 CO -0.31 0.69 0.32 0.00 -1.64 0.00 0.00 178.16 177.22 2oyl h ALA 85 N 1.08 1.06 0.00 1.82 0.00 -0.98 0.20 119.26 122.43 2oyl h ALA 85 Ca 0.19 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2oyl h ALA 85 Cb 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2oyl h ALA 85 CO -0.02 0.66 -1.24 -0.44 0.00 0.00 0.00 179.25 178.22 2oyl h ASP 86 N 1.15 0.00 0.00 0.00 3.32 -0.82 -3.42 116.42 116.65 2oyl h ASP 86 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2oyl h ASP 86 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2oyl h ASP 86 CO -0.02 0.92 -0.02 0.23 -1.72 0.00 0.00 179.24 178.63 2oyl n MET 87 N -3.20 2.40 -3.10 3.56 2.81 0.03 -4.71 117.12 114.91 2oyl n MET 87 Ca -0.06 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.60 2oyl n MET 87 Cb 0.95 -0.20 0.03 0.00 -0.71 0.00 0.00 33.22 33.30 2oyl n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oyl n GLY 88 N 0.36 -0.52 3.74 3.03 0.00 0.69 -4.64 105.19 107.86 2oyl n GLY 88 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2oyl n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oyl s THR 89 N -3.14 2.79 -0.00 2.61 -4.23 -1.26 -4.98 115.64 107.42 2oyl s THR 89 Ca 0.33 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2oyl s THR 89 Cb -0.15 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2oyl s THR 89 CO 0.41 -0.24 0.68 -0.46 -0.54 0.00 0.00 174.62 174.47 2oyl n ASN 90 N -2.80 0.66 -3.94 3.99 6.94 -0.14 -4.86 115.26 115.11 2oyl n ASN 90 Ca 0.12 -1.37 -0.10 0.00 -0.02 0.00 0.00 54.58 53.20 2oyl n ASN 90 Cb 0.51 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 2oyl n ASN 90 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2oyl s PHE 91 N -0.35 0.18 -0.07 -2.53 5.36 -1.01 -0.74 117.98 118.81 2oyl s PHE 91 Ca 0.00 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 2oyl s PHE 91 Cb 0.00 -0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.57 2oyl s PHE 91 CO 0.00 -0.24 0.19 0.54 -1.46 0.00 0.00 175.22 174.25 2oyl s VAL 92 N -1.49 -0.01 -0.60 3.12 0.11 -0.77 -3.65 120.40 117.12 2oyl s VAL 92 Ca -0.15 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.75 2oyl s VAL 92 Cb -0.09 -0.27 0.13 0.00 -1.53 0.00 0.00 36.38 34.62 2oyl s VAL 92 CO -0.00 0.01 0.63 -0.60 -3.33 0.00 0.00 175.10 171.81 2oyl s ARG 93 N 0.27 3.08 -0.27 1.54 3.52 -0.43 -0.64 118.95 126.02 2oyl s ARG 93 Ca -0.01 -1.60 -0.18 0.00 -0.13 0.00 0.00 55.73 53.81 2oyl s ARG 93 Cb -0.03 -4.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.02 2oyl s ARG 93 CO -0.01 -1.44 0.52 0.12 -0.81 0.00 0.00 175.30 173.69 2oyl s PHE 94 N 2.01 3.26 -0.19 5.12 5.36 0.16 -1.50 117.98 132.19 2oyl s PHE 94 Ca 0.09 0.62 -0.29 0.00 -0.96 0.00 0.00 56.93 56.39 2oyl s PHE 94 Cb -0.25 -2.74 -0.01 0.00 -0.34 0.00 0.00 43.02 39.68 2oyl s PHE 94 CO 0.03 -0.30 1.21 -0.51 -1.46 0.00 0.00 175.22 174.19 2oyl s LEU 95 N 2.33 4.14 0.00 6.12 1.02 -0.76 -1.24 118.68 130.29 2oyl s LEU 95 Ca 0.21 1.58 0.03 0.00 0.02 0.00 0.00 54.13 55.98 2oyl s LEU 95 Cb -0.16 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.55 2oyl s LEU 95 CO 0.09 -0.76 0.28 2.30 0.02 0.00 0.00 176.35 178.28 2oyl n ILE 96 N 5.42 0.00 -3.73 -0.59 -5.35 0.06 -4.76 119.36 110.41 2oyl n ILE 96 Ca 0.13 -2.14 -0.14 0.00 -0.27 0.00 0.00 62.75 60.34 2oyl n ILE 96 Cb 0.45 0.09 -0.09 0.00 -1.74 0.00 0.00 39.64 38.36 2oyl n ILE 96 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2oyl s SER 97 N -3.96 -0.32 0.20 7.28 1.04 -1.26 -1.67 113.70 115.02 2oyl s SER 97 Ca 0.21 0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.97 2oyl s SER 97 Cb -0.02 0.53 0.14 0.00 0.10 0.00 0.00 66.02 66.78 2oyl s SER 97 CO 0.14 -0.34 1.80 -0.25 0.98 0.00 0.00 173.24 175.57 2oyl h TRP 98 N 4.46 1.07 -0.14 5.02 7.01 -1.80 -0.91 115.95 130.66 2oyl h TRP 98 Ca -0.28 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 60.70 2oyl h TRP 98 Cb 1.18 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 2oyl h TRP 98 CO 0.46 0.78 0.10 0.07 -2.79 0.00 0.00 178.44 177.06 2oyl h ARG 99 N 1.06 0.08 0.15 2.65 -0.00 -1.06 0.11 114.38 117.37 2oyl h ARG 99 Ca 0.26 -0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.91 2oyl h ARG 99 Cb 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.05 2oyl h ARG 99 CO -0.04 0.05 -1.58 0.77 -0.00 0.00 0.00 179.97 179.18 2oyl h SER 100 N 0.08 0.51 -0.13 0.08 0.02 -1.68 -3.12 113.55 109.32 2oyl h SER 100 Ca 0.06 -0.70 -0.03 0.00 -0.84 0.00 0.00 61.79 60.28 2oyl h SER 100 Cb 0.14 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2oyl h SER 100 CO -0.01 1.58 -0.05 0.58 -1.14 0.00 0.00 176.83 177.79 2oyl h VAL 101 N 0.09 1.30 -2.43 2.27 2.07 -0.59 -3.39 116.25 115.57 2oyl h VAL 101 Ca -0.27 -1.03 -0.60 0.00 0.82 0.00 0.00 66.70 65.62 2oyl h VAL 101 Cb 2.06 1.72 -0.41 0.00 -1.52 0.00 0.00 31.29 33.14 2oyl h VAL 101 CO 0.18 0.30 -0.76 1.21 0.02 0.00 0.00 177.57 178.52 2oyl n GLU 102 N -4.70 1.55 0.29 1.57 2.13 0.33 -1.15 120.64 120.66 2oyl n GLU 102 Ca -0.06 -4.06 0.19 0.00 0.66 0.00 0.00 57.16 53.88 2oyl n GLU 102 Cb 0.27 -1.95 0.84 0.00 0.27 0.00 0.00 31.44 30.87 2oyl n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2oyl h PRO 103 N 4.73 0.00 -4.45 5.31 0.13 -1.60 -3.43 132.00 132.69 2oyl h PRO 103 Ca 0.17 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.05 2oyl h PRO 103 Cb 0.77 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.70 2oyl h PRO 103 CO 0.65 0.01 -0.72 0.00 -0.23 0.00 0.00 178.00 177.71 2oyl s ALA 104 N -3.84 0.51 -0.03 -0.56 0.00 -1.26 -4.88 121.76 111.71 2oyl s ALA 104 Ca -0.01 -0.78 -0.34 0.00 0.00 0.00 0.00 51.96 50.83 2oyl s ALA 104 Cb 0.10 0.08 -0.12 0.00 0.00 0.00 0.00 23.12 23.18 2oyl s ALA 104 CO 0.51 -0.07 1.82 -2.30 0.00 0.00 0.00 175.76 175.72 2oyl n PRO 105 N 1.35 2.20 -0.96 0.00 -0.02 -1.26 -1.49 135.00 134.82 2oyl n PRO 105 Ca -0.22 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2oyl n PRO 105 Cb 0.55 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2oyl n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oyl n GLY 106 N 4.19 0.50 3.13 -1.23 0.00 -1.26 -4.99 105.19 105.52 2oyl n GLY 106 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2oyl n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oyl s VAL 107 N -2.24 2.40 -0.07 1.61 1.01 -0.56 -5.10 120.40 117.45 2oyl s VAL 107 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.62 2oyl s VAL 107 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2oyl s VAL 107 CO 0.00 0.21 0.36 -0.31 0.00 0.00 0.00 175.10 175.36 2oyl s TYR 108 N 1.23 3.63 -0.65 5.22 2.02 -1.26 -3.63 117.35 123.90 2oyl s TYR 108 Ca -0.02 0.83 -0.23 0.00 -0.37 0.00 0.00 57.07 57.28 2oyl s TYR 108 Cb -0.17 -2.29 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 2oyl s TYR 108 CO -0.07 0.51 1.00 0.34 -1.57 0.00 0.00 175.55 175.76 2oyl s ASP 109 N -0.51 6.19 0.39 2.29 -1.08 -0.30 -4.87 116.67 118.79 2oyl s ASP 109 Ca 0.21 -0.84 0.21 0.00 -0.52 0.00 0.00 52.55 51.62 2oyl s ASP 109 Cb -0.15 -2.44 0.56 0.00 -1.46 0.00 0.00 42.92 39.44 2oyl s ASP 109 CO 0.10 -1.46 1.67 1.56 0.52 0.00 0.00 175.17 177.55 2oyl h GLN 110 N 9.59 0.00 -0.45 4.34 1.08 -1.93 -2.39 115.11 125.35 2oyl h GLN 110 Ca -0.28 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.80 2oyl h GLN 110 Cb 1.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 2oyl h GLN 110 CO 1.18 0.27 -0.18 0.37 -0.95 0.00 0.00 178.83 179.52 2oyl h GLN 111 N 0.00 0.89 -0.13 1.46 4.15 -1.98 -0.11 115.11 119.38 2oyl h GLN 111 Ca -0.00 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 2oyl h GLN 111 Cb 0.99 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 2oyl h GLN 111 CO 0.04 1.00 0.01 -0.92 -1.93 0.00 0.00 178.83 177.02 2oyl h TYR 112 N 0.78 0.25 -0.44 3.99 3.20 -1.82 -2.09 116.97 120.85 2oyl h TYR 112 Ca 0.11 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2oyl h TYR 112 Cb 0.72 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2oyl h TYR 112 CO 0.04 0.45 0.29 -0.07 -1.64 0.00 0.00 178.16 177.24 2oyl h LEU 113 N -0.02 0.38 -0.61 2.82 3.38 -1.35 -0.14 115.31 119.78 2oyl h LEU 113 Ca 0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2oyl h LEU 113 Cb 0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2oyl h LEU 113 CO 0.01 0.26 0.40 0.44 0.09 0.00 0.00 178.44 179.63 2oyl h ASP 114 N 0.44 0.69 -0.51 -0.43 3.32 -0.73 0.12 116.42 119.31 2oyl h ASP 114 Ca 0.18 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 2oyl h ASP 114 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2oyl h ASP 114 CO -0.04 0.50 -0.15 0.03 -1.72 0.00 0.00 179.24 177.85 2oyl h ARG 115 N 0.81 1.01 -0.28 3.56 3.08 -0.45 -0.50 114.38 121.62 2oyl h ARG 115 Ca 0.22 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.88 2oyl h ARG 115 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2oyl h ARG 115 CO -0.05 1.08 0.18 0.28 -1.07 0.00 0.00 179.97 180.39 2oyl h VAL 116 N 0.88 1.06 -0.98 2.04 2.07 -0.87 -2.31 116.25 118.13 2oyl h VAL 116 Ca 0.13 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2oyl h VAL 116 Cb 0.72 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2oyl h VAL 116 CO 0.06 0.07 0.64 -0.08 0.02 0.00 0.00 177.57 178.27 2oyl h GLU 117 N 0.36 1.18 -0.15 1.57 4.81 -0.50 0.11 114.58 121.97 2oyl h GLU 117 Ca 0.10 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2oyl h GLU 117 Cb -0.03 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 2oyl h GLU 117 CO -0.03 0.78 -0.00 0.22 -0.73 0.00 0.00 179.01 179.25 2oyl h ASP 118 N 1.22 -0.06 -0.39 1.04 3.58 -0.86 -0.23 116.42 120.71 2oyl h ASP 118 Ca 0.39 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2oyl h ASP 118 Cb 0.03 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2oyl h ASP 118 CO -0.13 -0.01 0.17 0.03 -2.88 0.00 0.00 179.24 176.41 2oyl h ARG 119 N 0.05 0.57 -0.49 0.28 -0.00 -0.87 -2.44 114.38 111.48 2oyl h ARG 119 Ca 0.07 -0.10 0.06 0.00 -0.50 0.00 0.00 59.98 59.51 2oyl h ARG 119 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 29.93 2oyl h ARG 119 CO -0.12 0.53 0.33 0.28 0.00 0.00 0.00 179.97 180.99 2oyl h VAL 120 N 0.48 0.98 -0.99 2.04 2.07 -0.78 -0.96 116.25 119.09 2oyl h VAL 120 Ca 0.13 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2oyl h VAL 120 Cb 0.17 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2oyl h VAL 120 CO -0.01 0.08 0.66 1.23 0.02 0.00 0.00 177.57 179.54 2oyl h GLY 121 N 0.43 1.42 0.92 2.17 0.00 -0.55 0.88 103.07 108.34 2oyl h GLY 121 Ca 0.21 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.04 2oyl h GLY 121 CO -0.05 0.48 0.27 1.49 0.00 0.00 0.00 176.54 178.72 2oyl h TRP 122 N 1.31 0.50 -0.29 5.60 6.55 -0.98 -1.18 115.95 127.46 2oyl h TRP 122 Ca 0.38 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 60.21 2oyl h TRP 122 Cb -0.09 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.03 2oyl h TRP 122 CO -0.00 0.30 0.11 1.88 -1.05 0.00 0.00 178.44 179.68 2oyl h TYR 123 N 0.54 0.45 -0.47 0.49 0.05 -1.27 -3.12 116.97 113.63 2oyl h TYR 123 Ca 0.17 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.96 2oyl h TYR 123 Cb -0.01 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.55 2oyl h TYR 123 CO -0.06 0.45 0.21 0.00 -1.05 0.00 0.00 178.16 177.71 2oyl h ALA 124 N 0.95 0.59 -0.36 3.88 0.00 -0.60 -0.54 119.26 123.16 2oyl h ALA 124 Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2oyl h ALA 124 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2oyl h ALA 124 CO -0.01 -0.16 0.29 1.49 0.00 0.00 0.00 179.25 180.86 2oyl h GLU 125 N 0.41 0.00 -0.41 0.00 4.81 -1.19 -2.14 114.58 116.06 2oyl h GLU 125 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2oyl h GLU 125 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2oyl h GLU 125 CO -0.18 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.64 2oyl n ARG 126 N -4.24 3.11 -0.80 1.92 1.74 -0.85 -4.96 116.66 112.58 2oyl n ARG 126 Ca 0.06 -2.52 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 2oyl n ARG 126 Cb 0.47 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2oyl n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oyl n GLY 127 N 0.41 0.56 3.82 -0.13 0.00 -0.80 -5.01 105.19 104.03 2oyl n GLY 127 Ca 0.18 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2oyl n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2oyl s TYR 128 N -2.00 3.28 0.02 1.61 1.51 -0.27 -4.92 117.35 116.58 2oyl s TYR 128 Ca 0.00 1.54 0.01 0.00 -1.01 0.00 0.00 57.07 57.61 2oyl s TYR 128 Cb 0.00 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 2oyl s TYR 128 CO 0.00 -0.42 0.06 0.15 -1.11 0.00 0.00 175.55 174.23 2oyl s LYS 129 N -3.59 2.94 -0.07 -0.62 -0.14 0.09 -4.40 119.74 113.94 2oyl s LYS 129 Ca 0.62 -0.57 0.05 0.00 -1.36 0.00 0.00 55.97 54.71 2oyl s LYS 129 Cb -0.11 -2.77 -0.01 0.00 -1.68 0.00 0.00 37.83 33.26 2oyl s LYS 129 CO 0.23 0.62 -0.24 0.08 -0.76 0.00 0.00 175.35 175.28 2oyl s VAL 130 N -1.21 2.03 -0.21 3.17 1.01 0.57 -1.84 120.40 123.91 2oyl s VAL 130 Ca 0.24 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2oyl s VAL 130 Cb -0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2oyl s VAL 130 CO 0.15 0.56 -0.00 -0.32 0.00 0.00 0.00 175.10 175.49 2oyl s MET 131 N 0.01 3.55 -0.19 2.72 1.75 0.19 -1.19 119.30 126.14 2oyl s MET 131 Ca -0.09 -0.54 -0.21 0.00 -1.25 0.00 0.00 55.69 53.60 2oyl s MET 131 Cb -0.15 -3.10 -0.03 0.00 2.84 0.00 0.00 34.83 34.39 2oyl s MET 131 CO 0.05 -0.08 0.63 -0.51 -0.65 0.00 0.00 175.02 174.47 2oyl s LEU 132 N 1.24 4.15 -0.33 4.11 1.43 -0.54 -0.66 118.68 128.08 2oyl s LEU 132 Ca 0.03 0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 2oyl s LEU 132 Cb -0.15 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 43.21 2oyl s LEU 132 CO 0.01 -0.27 0.09 -0.62 0.23 0.00 0.00 176.35 175.79 2oyl s ASP 133 N 1.18 5.24 -0.91 2.29 2.15 -0.37 -0.19 116.67 126.06 2oyl s ASP 133 Ca 0.29 -1.10 -0.24 0.00 0.43 0.00 0.00 52.55 51.93 2oyl s ASP 133 Cb -0.16 -1.85 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2oyl s ASP 133 CO 0.11 -0.30 1.75 -0.32 -0.17 0.00 0.00 175.17 176.23 2oyl s MET 134 N 1.40 2.93 0.00 4.34 -2.45 -0.85 -0.76 119.30 123.91 2oyl s MET 134 Ca -0.02 -0.48 -0.18 0.00 -1.25 0.00 0.00 55.69 53.77 2oyl s MET 134 Cb -0.19 -5.05 -0.06 0.00 1.25 0.00 0.00 34.83 30.78 2oyl s MET 134 CO 0.02 -2.88 0.50 -1.58 1.05 0.00 0.00 175.02 172.13 2oyl s HIS 135 N 8.13 3.72 0.04 4.11 2.46 -0.67 -2.40 115.29 130.68 2oyl s HIS 135 Ca 0.60 1.10 -0.00 0.00 0.47 0.00 0.00 55.06 57.23 2oyl s HIS 135 Cb -0.05 -2.44 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 2oyl s HIS 135 CO -0.01 0.51 -0.04 1.14 -2.47 0.00 0.00 174.74 173.87 2oyl s GLN 136 N -0.70 0.47 -0.03 2.88 1.03 -1.26 -4.30 119.66 117.75 2oyl s GLN 136 Ca 0.27 -0.88 0.01 0.00 0.04 0.00 0.00 55.36 54.80 2oyl s GLN 136 Cb -0.18 0.08 0.02 0.00 0.03 0.00 0.00 33.01 32.97 2oyl s GLN 136 CO 0.15 -0.06 -0.02 -0.51 -2.54 0.00 0.00 175.29 172.31 2oyl s ASP 137 N -2.07 0.61 -1.43 12.60 1.01 -0.50 -4.75 116.67 122.14 2oyl s ASP 137 Ca -0.06 -0.07 -0.10 0.00 0.71 0.00 0.00 52.55 53.03 2oyl s ASP 137 Cb -0.03 -0.29 0.05 0.00 1.01 0.00 0.00 42.92 43.65 2oyl s ASP 137 CO -0.04 -0.07 1.05 0.52 0.21 0.00 0.00 175.17 176.84 2oyl n VAL 138 N 3.99 -2.77 0.00 -1.27 0.31 -1.26 -0.97 118.33 116.36 2oyl n VAL 138 Ca -0.25 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2oyl n VAL 138 Cb 0.51 -3.47 0.00 0.00 -0.91 0.00 0.00 33.84 29.98 2oyl n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oyl n TYR 139 N -4.77 0.00 -3.53 3.52 9.36 -1.26 -4.56 117.16 115.92 2oyl n TYR 139 Ca -0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.12 2oyl n TYR 139 Cb 0.56 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 2oyl n TYR 139 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2oyl s SER 140 N 0.00 -0.36 0.61 2.98 0.15 -1.22 -1.07 113.70 114.79 2oyl s SER 140 Ca 0.00 0.11 0.39 0.00 0.70 0.00 0.00 55.95 57.15 2oyl s SER 140 Cb 0.00 0.36 1.89 0.00 -1.71 0.00 0.00 66.02 66.55 2oyl s SER 140 CO 0.00 -0.53 2.18 1.23 1.20 0.00 0.00 173.24 177.31 2oyl h GLY 141 N 2.16 0.00 0.66 9.45 0.00 -0.73 -3.11 103.07 111.50 2oyl h GLY 141 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2oyl h GLY 141 CO 0.31 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.85 2oyl n ALA 142 N -2.10 2.58 0.27 3.60 0.00 -1.26 -3.70 120.51 119.90 2oyl n ALA 142 Ca -0.01 -0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.45 2oyl n ALA 142 Cb 0.19 -1.33 0.45 0.00 0.00 0.00 0.00 19.45 18.77 2oyl n ALA 142 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2oyl h ILE 143 N 0.00 0.00 -3.97 0.00 3.07 -1.88 -3.43 117.51 111.30 2oyl h ILE 143 Ca 0.00 -0.71 -0.22 0.00 1.55 0.00 0.00 64.86 65.48 2oyl h ILE 143 Cb 0.00 1.70 -0.19 0.00 -0.27 0.00 0.00 36.82 38.06 2oyl h ILE 143 CO 0.00 0.00 -0.71 0.42 -1.05 0.00 0.00 178.15 176.81 2oyl s THR 144 N -3.45 0.42 -0.76 0.16 -4.23 -1.24 -4.73 115.64 101.81 2oyl s THR 144 Ca 0.04 -1.29 -0.25 0.00 -1.18 0.00 0.00 61.69 59.01 2oyl s THR 144 Cb 0.07 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 2oyl s THR 144 CO 0.59 -0.58 2.10 -2.84 -0.54 0.00 0.00 174.62 173.36 2oyl s PRO 145 N -2.25 2.27 0.35 3.99 0.02 -1.26 -5.02 135.00 133.10 2oyl s PRO 145 Ca -0.05 0.31 0.24 0.00 0.02 0.00 0.00 61.00 61.51 2oyl s PRO 145 Cb -0.05 -4.79 0.41 0.00 0.02 0.00 0.00 34.50 30.09 2oyl s PRO 145 CO -0.02 -3.50 1.58 0.78 -0.33 0.00 0.00 177.00 175.51 2oyl h GLY 152 N 18.98 0.00 -2.01 0.52 0.00 -1.88 -3.52 103.07 115.17 2oyl h GLY 152 Ca -0.04 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.81 2oyl h GLY 152 CO 1.15 0.00 0.39 0.00 0.00 0.00 0.00 176.54 178.08 2oyl s ALA 153 N -3.20 2.84 -0.20 3.60 0.00 -1.26 -0.65 121.76 122.89 2oyl s ALA 153 Ca 0.07 0.58 -0.34 0.00 0.00 0.00 0.00 51.96 52.27 2oyl s ALA 153 Cb 0.07 -3.25 0.14 0.00 0.00 0.00 0.00 23.12 20.09 2oyl s ALA 153 CO 0.67 -0.41 1.22 0.20 0.00 0.00 0.00 175.76 177.43 2oyl s GLY 154 N -2.11 -0.25 0.18 0.00 0.00 -0.71 -4.29 107.32 100.14 2oyl s GLY 154 Ca 0.67 1.77 0.01 0.00 0.00 0.00 0.00 44.72 47.17 2oyl s GLY 154 CO 0.23 0.63 1.43 0.00 0.00 0.00 0.00 173.10 175.39 2oyl h ALA 155 N 2.04 0.61 -3.00 3.20 0.00 -1.91 -3.16 119.26 117.04 2oyl h ALA 155 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2oyl h ALA 155 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2oyl h ALA 155 CO 0.23 0.81 0.00 -0.89 0.00 0.00 0.00 179.25 179.40 2oyl n ILE 156 N -3.77 0.00 -1.70 0.00 5.41 -1.26 -4.95 119.36 113.09 2oyl n ILE 156 Ca -0.04 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.28 2oyl n ILE 156 Cb 0.73 -0.31 -0.02 0.00 -0.71 0.00 0.00 39.64 39.32 2oyl n ILE 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oyl n GLY 157 N 3.61 1.06 3.49 7.39 0.00 -1.26 -4.72 105.19 114.75 2oyl n GLY 157 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 2oyl n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oyl s ASN 158 N 0.45 -0.56 0.00 1.61 2.20 -0.14 -2.84 114.94 115.66 2oyl s ASN 158 Ca 0.67 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.93 2oyl s ASN 158 Cb -0.58 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.18 2oyl s ASN 158 CO 0.48 -0.71 0.00 0.61 -2.94 0.00 0.00 177.10 174.53 2oyl n GLY 159 N 0.27 1.44 3.78 0.45 0.00 -1.09 -1.41 105.19 108.64 2oyl n GLY 159 Ca -0.16 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2oyl n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyl s ALA 160 N -1.22 2.85 0.79 4.61 0.00 -0.23 -0.52 121.76 128.03 2oyl s ALA 160 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2oyl s ALA 160 Cb 0.00 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.86 2oyl s ALA 160 CO 0.00 -0.56 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 2oyl s PRO 161 N -3.04 2.12 0.28 0.00 0.04 -1.26 -4.39 135.00 128.75 2oyl s PRO 161 Ca 0.67 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2oyl s PRO 161 Cb -0.23 -1.88 0.47 0.00 0.04 0.00 0.00 34.50 32.90 2oyl s PRO 161 CO 0.27 -1.73 1.87 0.00 0.04 0.00 0.00 177.00 177.45 2oyl h ALA 162 N -1.19 1.45 0.00 8.56 0.00 -1.92 -1.99 119.26 124.17 2oyl h ALA 162 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2oyl h ALA 162 Cb 1.24 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2oyl h ALA 162 CO 0.52 0.37 -0.06 0.11 0.00 0.00 0.00 179.25 180.18 2oyl h TRP 163 N 1.11 0.00 -0.20 0.00 5.08 -1.91 -1.37 115.95 118.65 2oyl h TRP 163 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 2oyl h TRP 163 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 2oyl h TRP 163 CO -0.00 0.06 0.00 0.00 -1.28 0.00 0.00 178.44 177.22 2oyl n ALA 164 N -2.26 2.48 -2.77 0.11 0.00 -0.76 -4.84 120.51 112.48 2oyl n ALA 164 Ca -0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 2oyl n ALA 164 Cb 0.17 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2oyl n ALA 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2oyl s THR 165 N -1.75 4.84 -0.46 0.00 2.01 -0.52 -4.89 115.64 114.87 2oyl s THR 165 Ca 0.34 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2oyl s THR 165 Cb 0.20 -3.76 0.12 0.00 0.01 0.00 0.00 72.50 69.07 2oyl s THR 165 CO 0.29 -0.34 0.20 -0.31 -0.69 0.00 0.00 174.62 173.77 2oyl s TYR 166 N 1.59 3.39 -0.92 4.92 2.02 -1.26 -4.92 117.35 122.17 2oyl s TYR 166 Ca 0.03 -3.10 0.24 0.00 -0.37 0.00 0.00 57.07 53.88 2oyl s TYR 166 Cb -0.20 -2.88 0.34 0.00 -0.40 0.00 0.00 41.96 38.82 2oyl s TYR 166 CO 0.07 -0.82 1.29 -1.33 -1.57 0.00 0.00 175.55 173.20 2oyl n MET 167 N 3.51 0.06 -3.51 -0.62 2.81 -1.26 -3.15 117.12 114.97 2oyl n MET 167 Ca 0.05 0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.69 2oyl n MET 167 Cb 0.36 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 2oyl n MET 167 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2oyl n ASP 168 N -1.61 -5.33 0.00 7.83 8.00 -1.26 -1.70 116.55 122.49 2oyl n ASP 168 Ca 0.05 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2oyl n ASP 168 Cb 0.36 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 2oyl n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oyl n GLY 169 N -1.62 0.71 3.78 0.44 0.00 -1.26 -5.01 105.19 102.22 2oyl n GLY 169 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2oyl n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oyl s LEU 170 N 0.00 4.32 0.60 0.99 1.43 -0.69 -5.00 118.68 120.33 2oyl s LEU 170 Ca 0.00 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 2oyl s LEU 170 Cb 0.00 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 2oyl s LEU 170 CO 0.00 -0.09 1.15 -2.16 0.23 0.00 0.00 176.35 175.48 2oyl s PRO 171 N -2.11 3.03 -0.47 1.29 0.04 -1.26 -3.75 135.00 131.77 2oyl s PRO 171 Ca 0.51 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2oyl s PRO 171 Cb -0.18 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.56 2oyl s PRO 171 CO 0.24 -1.11 0.35 0.08 0.04 0.00 0.00 177.00 176.59 2oyl s VAL 172 N -1.89 0.93 0.58 -0.36 1.01 -1.26 -0.95 120.40 118.47 2oyl s VAL 172 Ca 0.73 -2.86 -0.15 0.00 0.00 0.00 0.00 61.98 59.70 2oyl s VAL 172 Cb -0.25 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2oyl s VAL 172 CO 0.33 -1.13 1.04 -1.61 0.00 0.00 0.00 175.10 173.73 2oyl s GLU 173 N -0.10 3.48 0.33 2.72 0.41 -1.26 -4.94 118.70 119.34 2oyl s GLU 173 Ca 0.28 1.08 -0.28 0.00 -0.41 0.00 0.00 54.97 55.64 2oyl s GLU 173 Cb -0.04 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.12 2oyl s GLU 173 CO -0.15 -0.67 1.20 -2.30 -0.49 0.00 0.00 175.26 172.85 2oyl n PRO 174 N -2.05 1.87 -4.20 0.39 -0.02 -1.26 -4.98 135.00 124.74 2oyl n PRO 174 Ca 0.08 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 62.02 2oyl n PRO 174 Cb 0.53 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.72 2oyl n PRO 174 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2oyl s GLN 175 N -1.80 0.91 0.20 -0.52 -1.52 -1.26 -5.05 119.66 110.62 2oyl s GLN 175 Ca 0.57 -1.02 0.21 0.00 -1.95 0.00 0.00 55.36 53.17 2oyl s GLN 175 Cb -0.61 -0.97 0.90 0.00 -0.22 0.00 0.00 33.01 32.11 2oyl s GLN 175 CO 0.61 0.22 1.65 -0.35 -0.25 0.00 0.00 175.29 177.17 2oyl n PRO 176 N 1.19 0.15 -3.83 2.91 -0.04 -1.26 -4.70 135.00 129.42 2oyl n PRO 176 Ca -0.20 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2oyl n PRO 176 Cb 0.54 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 2oyl n PRO 176 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2oyl s ARG 177 N -3.25 0.41 0.39 0.54 0.52 -1.26 -5.07 118.95 111.23 2oyl s ARG 177 Ca 0.04 -0.11 0.07 0.00 -0.52 0.00 0.00 55.73 55.22 2oyl s ARG 177 Cb 0.09 0.18 0.80 0.00 0.52 0.00 0.00 34.95 36.55 2oyl s ARG 177 CO 0.35 -0.09 1.99 0.11 0.02 0.00 0.00 175.30 177.69 2oyl h TRP 178 N 4.82 0.45 0.00 -0.53 5.08 -2.04 -2.11 115.95 121.62 2oyl h TRP 178 Ca -0.29 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.65 2oyl h TRP 178 Cb 1.19 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 27.20 2oyl h TRP 178 CO 0.51 0.37 -0.12 0.93 -1.28 0.00 0.00 178.44 178.85 2oyl h GLU 179 N 0.46 0.00 0.00 0.12 3.07 -1.97 -2.26 114.58 114.00 2oyl h GLU 179 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2oyl h GLU 179 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2oyl h GLU 179 CO -0.01 0.12 0.00 1.28 -1.40 0.00 0.00 179.01 179.00 2oyl n LEU 180 N -4.23 0.38 0.24 1.33 4.77 -0.79 -2.23 117.00 116.47 2oyl n LEU 180 Ca -0.03 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 2oyl n LEU 180 Cb 0.19 -0.51 0.61 0.00 -2.33 0.00 0.00 43.42 41.39 2oyl n LEU 180 CO 0.34 -0.34 0.91 1.88 -1.33 0.00 0.00 177.39 178.85 2oyl h TYR 181 N 0.00 0.00 -0.93 -1.77 0.05 -1.54 -3.05 116.97 109.72 2oyl h TYR 181 Ca 0.00 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.96 2oyl h TYR 181 Cb 0.39 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.05 2oyl h TYR 181 CO 0.00 0.18 0.60 1.88 -1.05 0.00 0.00 178.16 179.77 2oyl h TYR 182 N 0.00 0.81 -0.40 4.88 0.05 -1.63 -2.47 116.97 118.20 2oyl h TYR 182 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2oyl h TYR 182 Cb 0.42 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2oyl h TYR 182 CO 0.00 0.24 0.00 0.44 -1.05 0.00 0.00 178.16 177.79 2oyl n ILE 183 N -4.60 0.52 -2.30 -2.88 -5.35 -1.15 -3.72 119.36 99.88 2oyl n ILE 183 Ca 0.20 -0.71 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 2oyl n ILE 183 Cb 0.57 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.26 2oyl n ILE 183 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2oyl s GLN 184 N -1.48 3.64 0.24 6.28 -1.52 -0.93 -4.82 119.66 121.08 2oyl s GLN 184 Ca 0.39 1.66 -0.05 0.00 -1.95 0.00 0.00 55.36 55.41 2oyl s GLN 184 Cb 0.22 -2.24 0.44 0.00 -0.22 0.00 0.00 33.01 31.21 2oyl s GLN 184 CO 0.31 -0.62 1.72 -1.35 -0.25 0.00 0.00 175.29 175.09 2oyl h PRO 185 N 1.73 0.39 -0.78 2.91 0.11 -1.88 -1.18 132.00 133.29 2oyl h PRO 185 Ca -0.50 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2oyl h PRO 185 Cb 1.25 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2oyl h PRO 185 CO 0.59 0.26 0.31 0.78 -0.21 0.00 0.00 178.00 179.73 2oyl h GLY 186 N 0.40 1.26 0.81 -0.55 0.00 -1.13 -1.67 103.07 102.19 2oyl h GLY 186 Ca 0.41 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 2oyl h GLY 186 CO -0.42 0.65 -0.46 -2.08 0.00 0.00 0.00 176.54 174.23 2oyl h VAL 187 N 1.14 1.39 -0.82 4.60 2.07 -1.63 0.84 116.25 123.84 2oyl h VAL 187 Ca 0.26 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 66.05 2oyl h VAL 187 Cb 0.22 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 2oyl h VAL 187 CO -0.02 0.54 0.47 0.24 0.02 0.00 0.00 177.57 178.82 2oyl h MET 188 N 0.02 0.78 -0.27 1.57 2.86 -1.22 -1.14 114.93 117.54 2oyl h MET 188 Ca -0.03 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 2oyl h MET 188 Cb 1.11 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2oyl h MET 188 CO 0.09 0.52 -0.10 -0.09 1.06 0.00 0.00 176.91 178.39 2oyl h ARG 189 N 0.81 0.54 -0.52 1.72 9.65 -1.12 0.11 114.38 125.58 2oyl h ARG 189 Ca 0.39 -0.22 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 2oyl h ARG 189 Cb 0.32 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 2oyl h ARG 189 CO -0.23 0.77 0.10 0.00 2.80 0.00 0.00 179.97 183.42 2oyl h ALA 190 N 0.75 0.58 -0.32 2.80 0.00 -0.44 0.45 119.26 123.09 2oyl h ALA 190 Ca 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2oyl h ALA 190 Cb 0.60 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2oyl h ALA 190 CO 0.03 -0.31 0.00 0.74 0.00 0.00 0.00 179.25 179.72 2oyl h PHE 191 N 0.24 0.61 -0.72 0.00 0.04 -1.15 -0.41 116.94 115.56 2oyl h PHE 191 Ca 0.26 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.98 2oyl h PHE 191 Cb 0.35 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 2oyl h PHE 191 CO -0.23 0.68 0.47 -0.44 -0.60 0.00 0.00 178.31 178.19 2oyl h ASP 192 N 0.36 0.70 -0.18 2.17 3.32 -0.07 -0.06 116.42 122.67 2oyl h ASP 192 Ca 0.09 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2oyl h ASP 192 Cb 0.43 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2oyl h ASP 192 CO 0.02 0.47 -0.20 0.78 -1.72 0.00 0.00 179.24 178.59 2oyl h ASN 193 N 0.81 0.48 -0.43 6.45 2.35 -0.02 -0.21 115.58 125.00 2oyl h ASN 193 Ca 0.30 -0.49 0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2oyl h ASN 193 Cb 0.16 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2oyl h ASN 193 CO -0.09 0.87 0.16 0.15 -1.65 0.00 0.00 177.43 176.86 2oyl h PHE 194 N 0.09 0.28 0.00 1.19 3.57 -0.24 -1.14 116.94 120.70 2oyl h PHE 194 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2oyl h PHE 194 Cb 0.74 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2oyl h PHE 194 CO 0.08 0.10 0.00 0.91 -2.23 0.00 0.00 178.31 177.18 2oyl n TRP 195 N -5.00 0.00 -2.24 0.41 7.02 -0.11 -4.14 117.44 113.38 2oyl n TRP 195 Ca 0.03 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.31 2oyl n TRP 195 Cb 0.16 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 28.97 2oyl n TRP 195 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2oyl n ASN 196 N -1.06 -5.60 0.25 -0.99 5.15 -0.43 -4.88 115.26 107.71 2oyl n ASN 196 Ca 0.21 0.11 0.08 0.00 -0.60 0.00 0.00 54.58 54.37 2oyl n ASN 196 Cb 0.13 -4.72 0.62 0.00 -0.53 0.00 0.00 39.78 35.27 2oyl n ASN 196 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2oyl h THR 197 N 0.00 1.02 0.00 -0.44 2.02 -1.29 -2.04 112.91 112.17 2oyl h THR 197 Ca -0.46 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 2oyl h THR 197 Cb 1.34 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2oyl h THR 197 CO 0.57 0.03 -0.28 0.71 0.37 0.00 0.00 175.52 176.92 2oyl h THR 198 N 0.01 0.54 0.00 3.16 1.35 -1.85 -3.48 112.91 112.64 2oyl h THR 198 Ca 0.00 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2oyl h THR 198 Cb 0.04 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2oyl h THR 198 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2oyl n GLY 199 N 0.73 1.59 0.08 5.82 0.00 -0.77 -4.91 105.19 107.74 2oyl n GLY 199 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2oyl n GLY 199 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oyl n LYS 200 N -2.00 0.41 -3.17 1.61 5.02 -1.26 -4.59 118.16 114.18 2oyl n LYS 200 Ca 0.00 0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 2oyl n LYS 200 Cb 0.00 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.24 2oyl n LYS 200 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2oyl n HIS 201 N -2.30 -0.24 0.32 2.13 8.25 -1.26 -4.91 115.22 117.20 2oyl n HIS 201 Ca 0.02 -3.61 0.13 0.00 -0.26 0.00 0.00 57.72 54.00 2oyl n HIS 201 Cb 0.48 -0.29 0.57 0.00 1.12 0.00 0.00 29.99 31.87 2oyl n HIS 201 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2oyl h PRO 202 N 3.52 0.00 0.00 -0.41 0.13 -1.86 -3.08 132.00 130.30 2oyl h PRO 202 Ca 0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2oyl h PRO 202 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2oyl h PRO 202 CO 0.47 0.00 -0.29 1.05 -0.23 0.00 0.00 178.00 179.00 2oyl h GLU 203 N 0.00 0.00 -0.22 0.86 9.09 -1.94 -3.36 114.58 119.01 2oyl h GLU 203 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2oyl h GLU 203 Cb 0.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2oyl h GLU 203 CO 0.00 0.29 0.05 -0.07 0.05 0.00 0.00 179.01 179.33 2oyl h LEU 204 N 0.00 0.33 -1.15 3.06 3.38 -1.82 0.21 115.31 119.31 2oyl h LEU 204 Ca -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2oyl h LEU 204 Cb 1.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2oyl h LEU 204 CO 0.04 0.47 0.32 0.58 0.09 0.00 0.00 178.44 179.93 2oyl h VAL 205 N 0.17 1.21 -0.45 1.22 2.07 -1.72 -0.45 116.25 118.29 2oyl h VAL 205 Ca 0.07 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2oyl h VAL 205 Cb 0.27 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2oyl h VAL 205 CO 0.00 0.24 0.17 -0.33 0.02 0.00 0.00 177.57 177.67 2oyl h GLU 206 N 0.91 0.69 -0.10 1.57 5.08 -1.58 -0.50 114.58 120.66 2oyl h GLU 206 Ca 0.23 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2oyl h GLU 206 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2oyl h GLU 206 CO -0.03 0.64 -0.05 0.45 -1.00 0.00 0.00 179.01 179.02 2oyl h HIS 207 N 0.59 -0.13 -0.37 4.33 3.86 -0.46 -1.91 115.15 121.06 2oyl h HIS 207 Ca 0.15 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 2oyl h HIS 207 Cb 0.22 0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 2oyl h HIS 207 CO 0.01 -0.09 -0.06 -0.92 0.86 0.00 0.00 177.93 177.73 2oyl h TYR 208 N -0.05 -0.13 -0.88 2.45 3.20 -0.84 0.21 116.97 120.93 2oyl h TYR 208 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2oyl h TYR 208 Cb 0.13 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2oyl h TYR 208 CO -0.17 -0.12 0.53 0.00 -1.64 0.00 0.00 178.16 176.75 2oyl h ALA 209 N 1.35 1.12 0.00 1.82 0.00 -0.95 -1.31 119.26 121.30 2oyl h ALA 209 Ca 0.18 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2oyl h ALA 209 Cb 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2oyl h ALA 209 CO -0.35 0.58 -0.65 0.87 0.00 0.00 0.00 179.25 179.70 2oyl h LYS 210 N 1.21 0.00 -0.48 0.00 1.57 -0.79 -0.63 116.57 117.45 2oyl h LYS 210 Ca 0.31 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2oyl h LYS 210 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2oyl h LYS 210 CO -0.06 0.65 0.07 0.00 -0.57 0.00 0.00 179.45 179.54 2oyl h ALA 211 N 1.35 0.64 -0.54 3.86 0.00 -0.28 -1.62 119.26 122.68 2oyl h ALA 211 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2oyl h ALA 211 Cb 1.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2oyl h ALA 211 CO 0.08 0.38 0.34 -1.49 0.00 0.00 0.00 179.25 178.57 2oyl h TRP 212 N 0.68 0.70 -0.99 0.00 4.06 -1.01 -2.19 115.95 117.20 2oyl h TRP 212 Ca 0.15 0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.21 2oyl h TRP 212 Cb 0.41 -0.23 -0.08 0.00 -1.00 0.00 0.00 29.16 28.26 2oyl h TRP 212 CO 0.03 0.47 0.63 -0.09 -3.56 0.00 0.00 178.44 175.92 2oyl h ARG 213 N 0.73 1.00 -0.67 0.49 2.43 -0.95 0.11 114.38 117.52 2oyl h ARG 213 Ca 0.20 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2oyl h ARG 213 Cb -0.05 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 2oyl h ARG 213 CO -0.04 0.66 0.22 0.00 -1.51 0.00 0.00 179.97 179.30 2oyl h ALA 214 N 1.52 0.88 -0.29 2.80 0.00 -0.88 0.81 119.26 124.10 2oyl h ALA 214 Ca 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2oyl h ALA 214 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2oyl h ALA 214 CO -0.23 0.54 0.05 0.28 0.00 0.00 0.00 179.25 179.90 2oyl h VAL 215 N 0.97 1.23 -0.17 0.00 2.07 -0.74 -2.76 116.25 116.84 2oyl h VAL 215 Ca 0.22 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 2oyl h VAL 215 Cb 0.28 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2oyl h VAL 215 CO -0.01 0.25 -0.17 0.00 0.02 0.00 0.00 177.57 177.66 2oyl h ALA 216 N 0.88 1.40 -0.38 1.67 0.00 -0.53 -1.73 119.26 120.56 2oyl h ALA 216 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2oyl h ALA 216 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2oyl h ALA 216 CO 0.00 0.42 -0.15 0.22 0.00 0.00 0.00 179.25 179.74 2oyl h ASP 217 N 0.26 0.70 -0.28 0.00 3.58 -0.73 0.01 116.42 119.96 2oyl h ASP 217 Ca 0.05 -0.21 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 2oyl h ASP 217 Cb 0.46 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2oyl h ASP 217 CO 0.03 0.86 -0.50 -0.09 -2.88 0.00 0.00 179.24 176.66 2oyl h ARG 218 N 0.63 0.83 -0.24 0.28 9.65 -1.15 -3.37 114.38 121.01 2oyl h ARG 218 Ca 0.10 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2oyl h ARG 218 Cb 0.61 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2oyl h ARG 218 CO 0.04 1.15 0.00 1.19 2.80 0.00 0.00 179.97 185.16 2oyl n PHE 219 N -4.07 0.30 -0.32 2.20 3.72 -0.69 -4.56 117.46 114.04 2oyl n PHE 219 Ca -0.05 -0.18 0.10 0.00 -0.05 0.00 0.00 57.45 57.27 2oyl n PHE 219 Cb 0.60 -0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.45 2oyl n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oyl h ALA 220 N 3.80 1.69 -0.53 4.37 0.00 -1.16 -1.53 119.26 125.90 2oyl h ALA 220 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oyl h ALA 220 Cb 0.86 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2oyl h ALA 220 CO 0.00 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 2oyl n ASP 221 N -4.60 5.14 -4.53 0.00 8.00 -1.26 -4.87 116.55 114.43 2oyl n ASP 221 Ca 0.18 -2.82 -0.43 0.00 0.71 0.00 0.00 54.79 52.44 2oyl n ASP 221 Cb 0.43 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2oyl n ASP 221 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2oyl s ASN 222 N -1.03 6.37 0.32 -2.24 3.84 -0.58 -4.92 114.94 116.71 2oyl s ASN 222 Ca 0.51 -0.23 0.25 0.00 0.21 0.00 0.00 52.86 53.60 2oyl s ASN 222 Cb 0.38 -2.37 1.12 0.00 -0.55 0.00 0.00 41.25 39.83 2oyl s ASN 222 CO 0.17 -0.91 1.74 0.44 -2.79 0.00 0.00 177.10 175.75 2oyl h ASP 223 N 8.99 0.00 1.22 -4.21 3.32 -1.89 -2.46 116.42 121.38 2oyl h ASP 223 Ca -0.25 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 2oyl h ASP 223 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2oyl h ASP 223 CO 0.96 0.00 -0.82 0.00 -1.72 0.00 0.00 179.24 177.66 2oyl h ALA 224 N 2.16 0.67 -2.39 3.45 0.00 -1.91 -3.45 119.26 117.78 2oyl h ALA 224 Ca 0.00 -0.51 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 2oyl h ALA 224 Cb 0.26 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2oyl h ALA 224 CO 0.00 0.62 0.39 0.08 0.00 0.00 0.00 179.25 180.33 2oyl s VAL 225 N -3.01 4.88 -0.07 0.00 1.01 -0.93 -0.31 120.40 121.97 2oyl s VAL 225 Ca 0.01 1.65 0.05 0.00 0.00 0.00 0.00 61.98 63.70 2oyl s VAL 225 Cb 0.08 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2oyl s VAL 225 CO 0.77 0.04 0.14 0.55 0.00 0.00 0.00 175.10 176.60 2oyl n VAL 226 N 4.68 0.00 -3.71 2.92 3.14 -0.33 -4.88 118.33 120.15 2oyl n VAL 226 Ca 0.04 -0.19 -0.14 0.00 -2.96 0.00 0.00 64.34 61.09 2oyl n VAL 226 Cb 0.49 0.54 -0.08 0.00 -1.06 0.00 0.00 33.84 33.73 2oyl n VAL 226 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2oyl s ALA 227 N -2.14 -1.02 -0.24 1.55 0.00 -1.16 -1.30 121.76 117.46 2oyl s ALA 227 Ca -0.01 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2oyl s ALA 227 Cb 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2oyl s ALA 227 CO 0.22 -0.27 -0.09 0.71 0.00 0.00 0.00 175.76 176.33 2oyl s TYR 228 N -0.96 3.06 -0.60 0.00 2.02 -0.15 -1.47 117.35 119.25 2oyl s TYR 228 Ca -0.10 -1.68 -0.21 0.00 -0.37 0.00 0.00 57.07 54.71 2oyl s TYR 228 Cb -0.04 -2.02 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 2oyl s TYR 228 CO 0.04 -0.76 0.82 0.34 -1.57 0.00 0.00 175.55 174.42 2oyl s ASP 229 N 1.29 6.21 0.30 2.29 -1.08 0.74 -0.07 116.67 126.34 2oyl s ASP 229 Ca -0.01 -1.03 -0.02 0.00 -0.52 0.00 0.00 52.55 50.98 2oyl s ASP 229 Cb -0.17 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 2oyl s ASP 229 CO -0.06 -1.22 1.93 -0.07 0.52 0.00 0.00 175.17 176.28 2oyl h LEU 230 N 10.60 0.89 -7.07 -1.34 3.38 -1.71 -2.27 115.31 117.80 2oyl h LEU 230 Ca -0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2oyl h LEU 230 Cb 1.08 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 41.37 2oyl h LEU 230 CO 1.11 0.70 -0.19 -0.32 0.09 0.00 0.00 178.44 179.82 2oyl s MET 231 N -5.73 0.50 0.12 1.13 0.00 -1.26 -4.52 119.30 109.54 2oyl s MET 231 Ca -0.11 1.17 -0.31 0.00 0.00 0.00 0.00 55.69 56.44 2oyl s MET 231 Cb 0.17 0.40 -0.09 0.00 0.00 0.00 0.00 34.83 35.31 2oyl s MET 231 CO 0.79 -0.20 1.51 1.21 0.00 0.00 0.00 175.02 178.34 2oyl s ASN 232 N 2.27 6.69 -0.81 1.11 2.47 -1.01 -4.25 114.94 121.41 2oyl s ASN 232 Ca -0.06 2.47 -0.09 0.00 0.42 0.00 0.00 52.86 55.59 2oyl s ASN 232 Cb -0.10 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.13 2oyl s ASN 232 CO -0.16 -0.77 0.53 -0.62 -3.72 0.00 0.00 177.10 172.36 2oyl n GLU 233 N 4.29 -1.02 -1.63 0.43 1.02 -1.26 -4.50 120.64 117.97 2oyl n GLU 233 Ca 0.13 0.43 -0.48 0.00 -0.02 0.00 0.00 57.16 57.23 2oyl n GLU 233 Cb 0.40 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 2oyl n GLU 233 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2oyl n PRO 234 N -2.99 1.68 -5.02 3.49 -0.02 -1.26 -4.63 135.00 126.25 2oyl n PRO 234 Ca -0.23 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 2oyl n PRO 234 Cb 0.56 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 2oyl n PRO 234 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2oyl s PHE 235 N 0.33 2.25 -2.61 6.00 5.36 -1.26 -2.78 117.98 125.27 2oyl s PHE 235 Ca 0.76 -0.92 0.27 0.00 -0.96 0.00 0.00 56.93 56.09 2oyl s PHE 235 Cb -0.77 -1.53 0.84 0.00 -0.34 0.00 0.00 43.02 41.22 2oyl s PHE 235 CO 0.46 -0.39 1.63 0.41 -1.46 0.00 0.00 175.22 175.87 2oyl n GLY 236 N 3.62 0.24 7.00 13.12 0.00 -1.25 -4.98 105.19 122.95 2oyl n GLY 236 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2oyl n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oyl n GLY 237 N 1.22 3.90 0.12 -0.02 0.00 -1.26 -1.67 105.19 107.47 2oyl n GLY 237 Ca 0.18 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2oyl n GLY 237 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oyl n SER 238 N 8.90 0.67 -4.71 1.61 7.64 -1.26 -4.59 113.62 121.88 2oyl n SER 238 Ca 0.00 0.63 -0.35 0.00 1.01 0.00 0.00 58.87 60.16 2oyl n SER 238 Cb 0.00 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.33 2oyl n SER 238 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2oyl s LEU 239 N -4.40 4.19 0.01 -3.43 1.43 -0.67 -5.10 118.68 110.71 2oyl s LEU 239 Ca 0.06 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2oyl s LEU 239 Cb 0.10 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2oyl s LEU 239 CO 0.44 0.15 0.00 -1.10 0.23 0.00 0.00 176.35 176.08 2oyl s GLN 240 N 0.53 0.19 2.14 1.70 -1.52 -1.26 -3.87 119.66 117.58 2oyl s GLN 240 Ca 0.08 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 2oyl s GLN 240 Cb -0.12 0.07 0.00 0.00 -0.22 0.00 0.00 33.01 32.75 2oyl s GLN 240 CO -0.00 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.41 2oyl n GLY 241 N 2.25 -0.96 0.39 3.09 0.00 -1.26 -4.11 105.19 104.58 2oyl n GLY 241 Ca -0.19 -1.32 0.17 0.00 0.00 0.00 0.00 46.02 44.69 2oyl n GLY 241 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oyl h PRO 242 N 0.00 0.49 -1.00 1.61 0.11 -1.96 0.20 132.00 131.45 2oyl h PRO 242 Ca 0.00 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.26 2oyl h PRO 242 Cb 0.00 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 30.90 2oyl h PRO 242 CO 0.00 0.32 0.60 0.00 -0.21 0.00 0.00 178.00 178.72 2oyl h ALA 243 N 1.61 1.63 0.00 -0.75 0.00 -1.96 -0.95 119.26 118.84 2oyl h ALA 243 Ca 0.48 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 2oyl h ALA 243 Cb 1.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2oyl h ALA 243 CO -0.21 -0.02 -0.34 0.35 0.00 0.00 0.00 179.25 179.04 2oyl h PHE 244 N 0.79 0.00 -0.46 0.00 3.57 -1.25 -3.19 116.94 116.40 2oyl h PHE 244 Ca 0.56 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.98 2oyl h PHE 244 Cb 0.83 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2oyl h PHE 244 CO -0.01 0.64 -0.03 0.93 -2.23 0.00 0.00 178.31 177.62 2oyl h GLU 245 N -1.00 0.84 -0.00 1.11 5.08 -0.95 -2.14 114.58 117.52 2oyl h GLU 245 Ca -0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2oyl h GLU 245 Cb 0.69 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2oyl h GLU 245 CO -0.04 0.91 -0.25 0.00 -1.00 0.00 0.00 179.01 178.63 2oyl n ALA 246 N -2.44 3.00 -1.89 3.43 0.00 -0.37 -1.93 120.51 120.31 2oyl n ALA 246 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2oyl n ALA 246 Cb 0.33 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2oyl n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oyl n GLY 247 N 1.40 0.36 0.23 0.00 0.00 -0.96 -4.71 105.19 101.51 2oyl n GLY 247 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2oyl n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oyl h PRO 248 N 0.00 0.00 0.60 1.61 0.13 -1.73 -2.23 132.00 130.37 2oyl h PRO 248 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2oyl h PRO 248 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2oyl h PRO 248 CO 0.00 0.21 -0.29 1.25 -0.23 0.00 0.00 178.00 178.94 2oyl h LEU 249 N 0.00 -0.68 -1.21 1.56 5.85 -1.58 -1.30 115.31 117.95 2oyl h LEU 249 Ca -0.00 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.78 2oyl h LEU 249 Cb 0.51 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2oyl h LEU 249 CO 0.03 -0.33 0.57 0.00 -0.34 0.00 0.00 178.44 178.37 2oyl h ALA 250 N -0.89 1.63 -0.63 1.25 0.00 -1.35 -1.26 119.26 118.02 2oyl h ALA 250 Ca -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2oyl h ALA 250 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2oyl h ALA 250 CO 0.14 0.20 0.16 0.00 0.00 0.00 0.00 179.25 179.74 2oyl h ALA 251 N 1.55 0.83 -0.37 0.00 0.00 -1.33 -0.35 119.26 119.60 2oyl h ALA 251 Ca 0.40 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2oyl h ALA 251 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2oyl h ALA 251 CO -0.17 0.54 0.03 1.98 0.00 0.00 0.00 179.25 181.63 2oyl h MET 252 N 0.92 0.63 -0.66 0.00 -1.53 -0.62 -1.70 114.93 111.97 2oyl h MET 252 Ca 0.20 -0.19 0.06 0.00 -3.44 0.00 0.00 59.70 56.33 2oyl h MET 252 Cb 0.34 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.27 2oyl h MET 252 CO 0.00 0.72 0.36 1.88 0.14 0.00 0.00 176.91 180.01 2oyl h TYR 253 N 0.46 0.67 -0.20 1.39 0.05 -1.03 -0.01 116.97 118.30 2oyl h TYR 253 Ca 0.11 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2oyl h TYR 253 Cb 0.42 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2oyl h TYR 253 CO 0.03 0.32 0.06 0.37 -1.05 0.00 0.00 178.16 177.89 2oyl h GLN 254 N 0.67 0.31 -0.51 4.88 5.75 -0.88 0.10 115.11 125.43 2oyl h GLN 254 Ca 0.30 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2oyl h GLN 254 Cb 0.19 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2oyl h GLN 254 CO -0.18 0.41 0.10 -0.09 -2.65 0.00 0.00 178.83 176.41 2oyl h ARG 255 N 0.14 0.78 -0.11 1.69 2.43 -1.12 -1.02 114.38 117.18 2oyl h ARG 255 Ca 0.06 -0.16 -0.22 0.00 -0.81 0.00 0.00 59.98 58.85 2oyl h ARG 255 Cb 0.23 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2oyl h ARG 255 CO -0.00 0.72 -0.81 1.15 -1.51 0.00 0.00 179.97 179.52 2oyl h THR 256 N 0.75 1.31 0.20 0.20 2.02 -0.86 -1.47 112.91 115.07 2oyl h THR 256 Ca 0.16 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 2oyl h THR 256 Cb 0.31 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2oyl h THR 256 CO 0.00 0.65 -0.10 0.74 0.37 0.00 0.00 175.52 177.18 2oyl h THR 257 N 0.43 0.83 -0.57 3.16 2.02 -0.67 -0.22 112.91 117.90 2oyl h THR 257 Ca -0.06 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.09 2oyl h THR 257 Cb 1.43 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 2oyl h THR 257 CO 0.16 0.02 0.24 0.44 0.37 0.00 0.00 175.52 176.75 2oyl h ASP 258 N -0.32 0.27 -0.35 4.18 3.32 -1.19 -0.42 116.42 121.92 2oyl h ASP 258 Ca -0.03 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2oyl h ASP 258 Cb 0.24 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2oyl h ASP 258 CO 0.04 0.18 0.21 0.00 -1.72 0.00 0.00 179.24 177.95 2oyl h ALA 259 N 1.36 0.45 -0.99 3.45 0.00 -1.16 -2.86 119.26 119.51 2oyl h ALA 259 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2oyl h ALA 259 Cb 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2oyl h ALA 259 CO -0.25 -0.05 0.65 0.82 0.00 0.00 0.00 179.25 180.42 2oyl h ILE 260 N 0.46 1.21 0.00 0.00 2.04 -0.55 -2.71 117.51 117.97 2oyl h ILE 260 Ca 0.13 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2oyl h ILE 260 Cb 0.01 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 35.89 2oyl h ILE 260 CO -0.02 0.24 0.00 0.54 0.00 0.00 0.00 178.15 178.90 2oyl n ARG 261 N -4.42 0.36 0.15 2.37 5.12 -0.21 -0.35 116.66 119.68 2oyl n ARG 261 Ca 0.12 0.07 -0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2oyl n ARG 261 Cb 0.05 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.09 2oyl n ARG 261 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2oyl h GLN 262 N 0.00 0.01 0.00 5.56 4.20 -1.32 -3.38 115.11 120.18 2oyl h GLN 262 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2oyl h GLN 262 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2oyl h GLN 262 CO 0.00 0.53 -0.22 1.33 -0.67 0.00 0.00 178.83 179.80 2oyl n VAL 263 N -3.92 0.00 -3.55 -0.54 0.24 -0.60 -5.01 118.33 104.95 2oyl n VAL 263 Ca -0.01 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 61.80 2oyl n VAL 263 Cb 0.54 0.85 -0.13 0.00 -1.47 0.00 0.00 33.84 33.63 2oyl n VAL 263 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2oyl s ASP 264 N -1.08 0.97 0.05 -1.34 -1.08 0.53 -4.74 116.67 109.98 2oyl s ASP 264 Ca 0.00 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.30 2oyl s ASP 264 Cb 0.00 0.49 -0.14 0.00 -1.46 0.00 0.00 42.92 41.80 2oyl s ASP 264 CO 0.00 -0.29 0.76 0.00 0.52 0.00 0.00 175.17 176.15 2oyl n GLN 265 N 5.33 0.63 -0.02 4.34 1.13 -1.26 -3.90 117.38 123.63 2oyl n GLN 265 Ca -0.05 0.13 0.02 0.00 -1.94 0.00 0.00 57.00 55.16 2oyl n GLN 265 Cb 0.50 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.01 2oyl n GLN 265 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2oyl n ASP 266 N -2.76 2.57 -4.75 1.08 8.00 -1.26 -4.90 116.55 114.53 2oyl n ASP 266 Ca -0.09 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 2oyl n ASP 266 Cb 0.78 1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 43.10 2oyl n ASP 266 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2oyl s THR 267 N -2.58 2.96 0.12 -3.53 2.01 -1.26 -4.96 115.64 108.41 2oyl s THR 267 Ca -0.04 0.88 -0.31 0.00 0.31 0.00 0.00 61.69 62.52 2oyl s THR 267 Cb 0.06 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 2oyl s THR 267 CO 0.43 0.17 1.41 0.26 -0.69 0.00 0.00 174.62 176.21 2oyl s TRP 268 N -0.57 3.22 -0.27 4.92 0.51 -0.42 -4.90 118.94 121.44 2oyl s TRP 268 Ca 0.52 0.91 -0.18 0.00 -2.12 0.00 0.00 56.10 55.24 2oyl s TRP 268 Cb -0.38 -3.71 -0.03 0.00 -0.81 0.00 0.00 33.47 28.54 2oyl s TRP 268 CO 0.45 -2.52 0.50 0.08 -0.51 0.00 0.00 176.95 174.95 2oyl s VAL 269 N 1.10 5.08 -0.19 4.03 1.01 -0.33 -0.97 120.40 130.13 2oyl s VAL 269 Ca 0.65 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 2oyl s VAL 269 Cb -0.38 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2oyl s VAL 269 CO 0.30 0.07 0.02 0.00 0.00 0.00 0.00 175.10 175.49 2oyl s VAL 271 N 0.72 2.55 0.16 0.00 -7.23 0.13 -2.19 120.40 114.53 2oyl s VAL 271 Ca 0.01 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2oyl s VAL 271 Cb -0.14 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2oyl s VAL 271 CO 0.02 0.59 0.03 0.00 -0.31 0.00 0.00 175.10 175.43 2oyl s ALA 272 N -0.67 3.30 0.94 1.32 0.00 -1.26 -1.04 121.76 124.35 2oyl s ALA 272 Ca 0.11 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2oyl s ALA 272 Cb -0.10 -1.11 0.17 0.00 0.00 0.00 0.00 23.12 22.08 2oyl s ALA 272 CO -0.00 0.52 1.26 -1.25 0.00 0.00 0.00 175.76 176.29 2oyl s PRO 273 N -2.89 0.86 0.42 0.00 0.04 -1.26 -4.90 135.00 127.27 2oyl s PRO 273 Ca 0.28 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 60.85 2oyl s PRO 273 Cb -0.10 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2oyl s PRO 273 CO 0.20 -2.29 1.37 1.14 0.04 0.00 0.00 177.00 177.45 2oyl s GLN 274 N -5.74 3.86 0.00 4.56 -2.07 -1.26 -4.25 119.66 114.75 2oyl s GLN 274 Ca 0.70 2.30 -0.19 0.00 -1.82 0.00 0.00 55.36 56.35 2oyl s GLN 274 Cb -0.07 -2.73 -0.28 0.00 -1.09 0.00 0.00 33.01 28.84 2oyl s GLN 274 CO 0.52 -0.63 1.03 0.00 -1.32 0.00 0.00 175.29 174.89 2oyl h ALA 275 N 2.56 -0.01 -2.53 2.60 0.00 -1.78 -3.37 119.26 116.74 2oyl h ALA 275 Ca -0.50 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.21 2oyl h ALA 275 Cb 1.25 0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.15 2oyl h ALA 275 CO 0.62 0.45 0.89 -1.50 0.00 0.00 0.00 179.25 179.72 2oyl s ILE 276 N -2.89 2.94 0.00 0.00 1.10 -1.26 -0.28 121.20 120.81 2oyl s ILE 276 Ca -0.12 0.58 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 2oyl s ILE 276 Cb 0.03 -3.37 0.00 0.00 0.15 0.00 0.00 42.46 39.27 2oyl s ILE 276 CO 0.86 0.03 0.00 0.61 -2.11 0.00 0.00 174.94 174.32 2oyl n GLY 277 N 3.79 2.11 0.31 1.50 0.00 -1.26 -4.67 105.19 106.97 2oyl n GLY 277 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 2oyl n GLY 277 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oyl h VAL 278 N 0.00 1.25 -0.81 1.61 2.07 -1.66 -0.47 116.25 118.24 2oyl h VAL 278 Ca 0.00 -0.95 0.19 0.00 0.82 0.00 0.00 66.70 66.76 2oyl h VAL 278 Cb 0.00 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2oyl h VAL 278 CO 0.00 0.36 0.55 0.78 0.02 0.00 0.00 177.57 179.28 2oyl h ASN 279 N 0.94 0.26 -0.32 0.57 4.21 -0.86 -2.41 115.58 117.97 2oyl h ASN 279 Ca 0.19 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.73 2oyl h ASN 279 Cb 0.38 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2oyl h ASN 279 CO 0.01 0.12 0.00 0.00 -1.29 0.00 0.00 177.43 176.26 2oyl n GLN 280 N -4.44 2.16 0.00 0.81 3.00 -0.25 -0.87 117.38 117.80 2oyl n GLN 280 Ca 0.16 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.40 2oyl n GLN 280 Cb 0.69 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.48 2oyl n GLN 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oyl n GLY 281 N 1.33 1.06 3.88 1.08 0.00 -0.91 -4.72 105.19 106.92 2oyl n GLY 281 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2oyl n GLY 281 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oyl s LEU 282 N 0.00 3.64 0.61 0.99 1.02 -0.82 -4.28 118.68 119.84 2oyl s LEU 282 Ca 0.00 1.17 -0.17 0.00 0.02 0.00 0.00 54.13 55.15 2oyl s LEU 282 Cb 0.00 -4.11 -0.03 0.00 0.02 0.00 0.00 46.19 42.07 2oyl s LEU 282 CO 0.00 -0.55 1.12 -2.16 0.02 0.00 0.00 176.35 174.78 2oyl s PRO 283 N -4.36 3.03 -0.04 1.29 0.04 -1.26 -4.23 135.00 129.47 2oyl s PRO 283 Ca 0.52 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 2oyl s PRO 283 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2oyl s PRO 283 CO 0.39 -1.09 0.22 0.45 0.04 0.00 0.00 177.00 177.01 2oyl s SER 284 N -2.21 6.46 -0.15 6.66 0.15 -1.26 -4.75 113.70 118.60 2oyl s SER 284 Ca 0.70 0.52 0.16 0.00 0.70 0.00 0.00 55.95 58.03 2oyl s SER 284 Cb -0.22 -2.08 0.73 0.00 -1.71 0.00 0.00 66.02 62.74 2oyl s SER 284 CO 0.35 0.32 1.64 0.61 1.20 0.00 0.00 173.24 177.36 2oyl n GLY 285 N 1.44 2.72 3.77 9.45 0.00 -1.26 -4.95 105.19 116.36 2oyl n GLY 285 Ca -0.14 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2oyl n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oyl s LEU 286 N -2.06 4.18 0.40 0.99 2.96 -1.26 -3.71 118.68 120.17 2oyl s LEU 286 Ca 0.51 2.98 0.08 0.00 -0.22 0.00 0.00 54.13 57.48 2oyl s LEU 286 Cb 0.35 -3.84 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 2oyl s LEU 286 CO 0.21 -1.09 0.11 0.42 -1.32 0.00 0.00 176.35 174.69 2oyl s THR 287 N -1.17 2.32 0.24 3.68 -4.23 -1.26 -4.92 115.64 110.29 2oyl s THR 287 Ca 0.58 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 2oyl s THR 287 Cb -0.45 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.33 2oyl s THR 287 CO 0.59 -0.04 1.46 -0.75 -0.54 0.00 0.00 174.62 175.34 2oyl s LYS 288 N -3.83 4.26 -0.18 3.99 2.20 -1.26 -4.89 119.74 120.03 2oyl s LYS 288 Ca 0.39 2.31 -0.08 0.00 -0.36 0.00 0.00 55.97 58.23 2oyl s LYS 288 Cb 0.04 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2oyl s LYS 288 CO 0.21 -0.45 0.09 0.42 -0.36 0.00 0.00 175.35 175.26 2oyl s ILE 289 N 0.16 5.08 0.03 5.43 -1.09 -1.26 -5.08 121.20 124.46 2oyl s ILE 289 Ca 0.61 0.07 -0.26 0.00 -2.23 0.00 0.00 60.65 58.84 2oyl s ILE 289 Cb -0.42 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2oyl s ILE 289 CO 0.42 0.47 0.80 -1.81 -1.23 0.00 0.00 174.94 173.59 2oyl s ASP 290 N 0.21 7.22 -0.32 3.58 1.01 -1.26 -5.00 116.67 122.11 2oyl s ASP 290 Ca 0.06 1.46 -0.10 0.00 0.71 0.00 0.00 52.55 54.68 2oyl s ASP 290 Cb -0.12 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2oyl s ASP 290 CO -0.00 -0.05 0.18 -0.62 0.21 0.00 0.00 175.17 174.89 2oyl s ASP 291 N 0.21 5.69 0.00 0.27 -1.08 -1.26 -4.84 116.67 115.66 2oyl s ASP 291 Ca 0.41 -0.52 0.20 0.00 -0.52 0.00 0.00 52.55 52.12 2oyl s ASP 291 Cb -0.20 -2.04 0.93 0.00 -1.46 0.00 0.00 42.92 40.15 2oyl s ASP 291 CO 0.23 -0.21 1.63 -0.81 0.52 0.00 0.00 175.17 176.53 2oyl n PRO 292 N 5.01 0.15 -1.62 4.34 -0.04 -1.26 -4.87 135.00 136.71 2oyl n PRO 292 Ca -0.13 0.13 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2oyl n PRO 292 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2oyl n PRO 292 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2oyl n ARG 293 N -1.39 0.92 -1.98 0.54 1.85 -1.26 -4.94 116.66 110.41 2oyl n ARG 293 Ca 0.07 0.37 -0.41 0.00 -1.00 0.00 0.00 57.85 56.88 2oyl n ARG 293 Cb 0.19 -2.38 -0.01 0.00 -1.05 0.00 0.00 32.46 29.21 2oyl n ARG 293 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2oyl s ALA 294 N -1.51 3.55 0.00 2.89 0.00 -1.26 -4.77 121.76 120.65 2oyl s ALA 294 Ca 0.79 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2oyl s ALA 294 Cb -0.38 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2oyl s ALA 294 CO 0.44 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2oyl n GLY 295 N 0.85 0.28 3.79 0.00 0.00 -1.26 -4.91 105.19 103.93 2oyl n GLY 295 Ca 0.01 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 2oyl n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oyl s GLN 296 N 0.00 3.92 0.55 1.61 -0.21 -1.26 -5.00 119.66 119.26 2oyl s GLN 296 Ca 0.00 1.48 -0.18 0.00 0.02 0.00 0.00 55.36 56.68 2oyl s GLN 296 Cb 0.00 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.65 2oyl s GLN 296 CO 0.00 -0.35 1.07 1.14 -2.12 0.00 0.00 175.29 175.03 2oyl s GLN 297 N -2.89 3.46 -0.52 2.91 -2.07 -1.26 -4.95 119.66 114.35 2oyl s GLN 297 Ca 0.63 1.35 0.07 0.00 -1.82 0.00 0.00 55.36 55.60 2oyl s GLN 297 Cb -0.20 -2.04 0.32 0.00 -1.09 0.00 0.00 33.01 30.00 2oyl s GLN 297 CO 0.25 -0.71 0.83 0.54 -1.32 0.00 0.00 175.29 174.87 2oyl n ARG 298 N -1.53 2.32 -4.34 9.60 1.74 -1.26 -5.04 116.66 118.14 2oyl n ARG 298 Ca 0.10 -4.30 -0.35 0.00 -0.77 0.00 0.00 57.85 52.53 2oyl n ARG 298 Cb 0.52 -2.02 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 2oyl n ARG 298 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2oyl s ILE 299 N -3.36 4.28 0.25 0.55 -1.09 -1.26 -1.18 121.20 119.39 2oyl s ILE 299 Ca 0.44 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 2oyl s ILE 299 Cb 0.27 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 2oyl s ILE 299 CO -0.10 0.57 -0.05 0.00 -1.23 0.00 0.00 174.94 174.12 2oyl s ALA 300 N -0.51 2.11 -0.16 9.38 0.00 -0.08 -4.33 121.76 128.17 2oyl s ALA 300 Ca 0.09 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 2oyl s ALA 300 Cb -0.12 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2oyl s ALA 300 CO 0.02 -0.11 -0.12 -0.47 0.00 0.00 0.00 175.76 175.08 2oyl s TYR 301 N -3.14 2.84 -0.51 0.00 5.04 -0.43 -0.70 117.35 120.45 2oyl s TYR 301 Ca 0.28 -0.85 0.08 0.00 -2.44 0.00 0.00 57.07 54.13 2oyl s TYR 301 Cb 0.04 -1.92 0.31 0.00 0.35 0.00 0.00 41.96 40.74 2oyl s TYR 301 CO 0.10 -0.38 0.79 0.00 -1.34 0.00 0.00 175.55 174.72 2oyl s PRO 303 N -2.69 1.33 0.36 0.00 0.04 -1.23 -4.42 135.00 128.40 2oyl s PRO 303 Ca 0.43 0.56 0.08 0.00 0.04 0.00 0.00 61.00 62.11 2oyl s PRO 303 Cb 0.26 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 2oyl s PRO 303 CO -0.09 -2.12 0.13 -1.01 0.04 0.00 0.00 177.00 173.94 2oyl s HIS 304 N -3.10 2.64 -0.15 0.56 3.76 -1.26 -1.61 115.29 116.12 2oyl s HIS 304 Ca 0.63 -0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2oyl s HIS 304 Cb -0.16 -1.70 0.05 0.00 1.11 0.00 0.00 32.58 31.87 2oyl s HIS 304 CO 0.55 0.32 0.02 -1.17 -0.85 0.00 0.00 174.74 173.62 2oyl s LEU 305 N -3.84 0.92 -0.40 0.89 2.96 -0.28 -4.44 118.68 114.49 2oyl s LEU 305 Ca 0.38 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2oyl s LEU 305 Cb -0.00 -0.53 0.16 0.00 0.50 0.00 0.00 46.19 46.32 2oyl s LEU 305 CO 0.22 -0.27 0.33 -0.31 -1.32 0.00 0.00 176.35 175.01 2oyl s TYR 306 N 1.91 0.62 0.35 5.38 2.02 -0.05 -4.37 117.35 123.22 2oyl s TYR 306 Ca 0.01 -1.82 -0.28 0.00 -0.37 0.00 0.00 57.07 54.61 2oyl s TYR 306 Cb -0.15 -0.76 -0.12 0.00 -0.40 0.00 0.00 41.96 40.53 2oyl s TYR 306 CO -0.07 -0.88 1.45 -2.30 -1.57 0.00 0.00 175.55 172.18 2oyl n PRO 307 N 3.37 2.52 -0.23 -1.71 -0.02 -1.26 -4.15 135.00 133.52 2oyl n PRO 307 Ca 0.22 0.88 0.02 0.00 -2.02 0.00 0.00 63.50 62.60 2oyl n PRO 307 Cb 0.45 -2.58 0.14 0.00 -0.02 0.00 0.00 33.50 31.48 2oyl n PRO 307 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2oyl h LEU 308 N 3.14 0.26 -1.89 2.45 3.38 -1.90 -2.64 115.31 118.11 2oyl h LEU 308 Ca -0.49 0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2oyl h LEU 308 Cb 1.25 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2oyl h LEU 308 CO 0.66 0.14 0.25 -0.65 0.09 0.00 0.00 178.44 178.92 2oyl h PRO 309 N 0.44 0.13 0.00 1.13 0.11 -1.91 -1.58 132.00 130.33 2oyl h PRO 309 Ca 0.35 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 2oyl h PRO 309 Cb 0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 2oyl h PRO 309 CO -0.34 0.09 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.36 2oyl h LEU 310 N 0.14 0.00 -2.70 2.35 3.38 -1.83 -3.49 115.31 113.16 2oyl h LEU 310 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 2oyl h LEU 310 Cb 0.47 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 2oyl h LEU 310 CO -0.02 0.11 0.22 0.47 0.09 0.00 0.00 178.44 179.31 2oyl n ASP 311 N -3.19 3.28 -3.06 -0.43 8.00 -0.60 -5.03 116.55 115.52 2oyl n ASP 311 Ca 0.02 -2.64 -0.16 0.00 0.71 0.00 0.00 54.79 52.72 2oyl n ASP 311 Cb 0.44 -0.63 -0.00 0.00 -0.02 0.00 0.00 41.12 40.91 2oyl n ASP 311 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2oyl n HIS 316 N -0.10 -0.84 -4.02 1.24 -0.00 -0.69 -4.99 115.22 105.81 2oyl n HIS 316 Ca 0.23 -3.26 -0.09 0.00 0.46 0.00 0.00 57.72 55.07 2oyl n HIS 316 Cb 0.93 0.19 -0.09 0.00 -0.12 0.00 0.00 29.99 30.91 2oyl n HIS 316 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2oyl s GLU 317 N -1.41 0.88 5.57 1.57 2.02 -1.26 -4.30 118.70 121.77 2oyl s GLU 317 Ca 0.35 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.12 2oyl s GLU 317 Cb 0.30 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.82 2oyl s GLU 317 CO -0.09 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2oyl n GLY 318 N -0.06 2.56 0.34 -1.39 0.00 -1.26 -2.16 105.19 103.21 2oyl n GLY 318 Ca -0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2oyl n GLY 318 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2oyl h LEU 319 N 0.00 1.00 -0.76 0.99 5.85 -2.00 -2.01 115.31 118.38 2oyl h LEU 319 Ca 0.00 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.75 2oyl h LEU 319 Cb 0.00 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 40.67 2oyl h LEU 319 CO 0.00 0.86 0.26 0.00 -0.34 0.00 0.00 178.44 179.22 2oyl h ALA 320 N 1.29 1.06 -0.33 1.25 0.00 -1.95 -0.30 119.26 120.27 2oyl h ALA 320 Ca 0.26 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2oyl h ALA 320 Cb 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2oyl h ALA 320 CO -0.03 -0.28 0.12 -0.09 0.00 0.00 0.00 179.25 178.97 2oyl h ARG 321 N 0.36 0.51 -0.36 0.00 2.43 -0.86 -0.71 114.38 115.76 2oyl h ARG 321 Ca 0.43 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2oyl h ARG 321 Cb 0.72 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2oyl h ARG 321 CO -0.47 0.52 0.15 1.15 -1.51 0.00 0.00 179.97 179.82 2oyl h THR 322 N 0.39 0.94 -0.71 0.20 2.02 -0.99 0.05 112.91 114.80 2oyl h THR 322 Ca 0.11 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2oyl h THR 322 Cb 0.22 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2oyl h THR 322 CO -0.01 0.06 0.45 -0.07 0.37 0.00 0.00 175.52 176.32 2oyl h LEU 323 N 0.32 0.83 -0.46 2.58 3.38 -0.91 -1.38 115.31 119.66 2oyl h LEU 323 Ca 0.16 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2oyl h LEU 323 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2oyl h LEU 323 CO -0.14 0.63 -0.05 0.74 0.09 0.00 0.00 178.44 179.71 2oyl h THR 324 N 0.96 1.27 -0.51 0.22 2.02 -0.84 -1.02 112.91 115.01 2oyl h THR 324 Ca 0.26 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2oyl h THR 324 Cb -0.07 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2oyl h THR 324 CO -0.05 0.39 0.32 0.44 0.37 0.00 0.00 175.52 177.00 2oyl h ASP 325 N 0.70 0.60 0.60 4.18 3.32 -0.63 -1.25 116.42 123.94 2oyl h ASP 325 Ca 0.13 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2oyl h ASP 325 Cb 0.58 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2oyl h ASP 325 CO 0.03 0.46 -0.51 -0.37 -1.72 0.00 0.00 179.24 177.13 2oyl h VAL 326 N 0.69 1.29 -0.43 -1.35 -1.51 -1.23 -2.45 116.25 111.25 2oyl h VAL 326 Ca 0.19 -1.80 0.02 0.00 -1.23 0.00 0.00 66.70 63.88 2oyl h VAL 326 Cb -0.05 1.99 -0.03 0.00 -2.13 0.00 0.00 31.29 31.08 2oyl h VAL 326 CO -0.04 0.50 0.24 0.74 -1.23 0.00 0.00 177.57 177.79 2oyl h THR 327 N 0.00 1.02 -0.67 7.19 2.02 -0.55 -0.94 112.91 120.99 2oyl h THR 327 Ca -0.01 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2oyl h THR 327 Cb 0.95 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2oyl h THR 327 CO 0.07 0.09 0.41 0.40 0.37 0.00 0.00 175.52 176.86 2oyl h ILE 328 N 0.49 1.07 -0.25 3.11 2.04 -0.84 0.24 117.51 123.37 2oyl h ILE 328 Ca 0.18 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2oyl h ILE 328 Cb 0.04 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2oyl h ILE 328 CO -0.09 0.15 0.16 0.44 0.00 0.00 0.00 178.15 178.80 2oyl h ASP 329 N 0.80 0.30 -0.32 1.72 3.32 -1.09 -0.12 116.42 121.03 2oyl h ASP 329 Ca 0.27 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2oyl h ASP 329 Cb 0.04 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2oyl h ASP 329 CO -0.11 0.24 0.05 0.00 -1.72 0.00 0.00 179.24 177.70 2oyl h ALA 330 N 1.07 0.42 -0.50 3.45 0.00 -0.75 -2.07 119.26 120.88 2oyl h ALA 330 Ca 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2oyl h ALA 330 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2oyl h ALA 330 CO -0.02 0.11 0.27 2.35 0.00 0.00 0.00 179.25 181.97 2oyl h TRP 331 N 0.35 0.51 -0.27 0.00 7.01 -0.31 -0.75 115.95 122.48 2oyl h TRP 331 Ca 0.10 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2oyl h TRP 331 Cb 0.34 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2oyl h TRP 331 CO 0.02 0.27 0.17 -0.09 -2.79 0.00 0.00 178.44 176.02 2oyl h ARG 332 N 0.54 0.37 -0.55 2.65 2.43 -0.94 0.12 114.38 119.00 2oyl h ARG 332 Ca 0.21 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2oyl h ARG 332 Cb 0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2oyl h ARG 332 CO -0.13 0.27 0.35 0.00 -1.51 0.00 0.00 179.97 178.96 2oyl h ALA 333 N 1.07 0.70 -0.24 2.80 0.00 -1.04 -0.38 119.26 122.18 2oyl h ALA 333 Ca 0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2oyl h ALA 333 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2oyl h ALA 333 CO -0.02 0.10 -0.42 -0.91 0.00 0.00 0.00 179.25 178.00 2oyl h ASN 334 N 0.71 0.79 -0.47 0.00 2.35 -1.02 -2.10 115.58 115.84 2oyl h ASN 334 Ca 0.21 -0.53 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 2oyl h ASN 334 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 2oyl h ASN 334 CO -0.06 1.17 0.30 0.74 -1.65 0.00 0.00 177.43 177.93 2oyl h THR 335 N 0.43 1.09 -0.67 2.81 2.02 -0.64 -1.34 112.91 116.61 2oyl h THR 335 Ca 0.01 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2oyl h THR 335 Cb 1.02 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2oyl h THR 335 CO 0.10 0.11 0.42 0.00 0.37 0.00 0.00 175.52 176.52 2oyl h ALA 336 N 1.19 0.87 0.13 6.16 0.00 -1.00 -1.19 119.26 125.42 2oyl h ALA 336 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2oyl h ALA 336 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2oyl h ALA 336 CO -0.05 0.19 -0.06 1.25 0.00 0.00 0.00 179.25 180.57 2oyl h HIS 337 N 0.82 -0.16 -0.19 0.00 6.17 -0.94 -2.09 115.15 118.77 2oyl h HIS 337 Ca 0.27 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.23 2oyl h HIS 337 Cb 0.01 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 2oyl h HIS 337 CO -0.04 -0.09 -0.37 1.15 0.71 0.00 0.00 177.93 179.29 2oyl h THR 338 N -0.19 1.29 -0.36 6.26 2.02 -1.10 -0.91 112.91 119.93 2oyl h THR 338 Ca -0.02 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 2oyl h THR 338 Cb 0.14 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2oyl h THR 338 CO 0.03 0.45 0.07 0.00 0.37 0.00 0.00 175.52 176.44 2oyl h ALA 339 N 1.27 1.44 -0.13 6.16 0.00 -1.12 -0.99 119.26 125.89 2oyl h ALA 339 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2oyl h ALA 339 Cb 0.80 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2oyl h ALA 339 CO 0.06 0.41 -0.00 0.00 0.00 0.00 0.00 179.25 179.72 2oyl h ARG 340 N 0.53 0.23 -0.88 0.00 3.08 -0.66 -0.02 114.38 116.67 2oyl h ARG 340 Ca 0.12 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.19 2oyl h ARG 340 Cb 0.24 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2oyl h ARG 340 CO -0.00 0.47 0.53 0.28 -1.07 0.00 0.00 179.97 180.18 2oyl h VAL 341 N -0.03 0.95 0.00 2.04 2.07 -0.81 -1.05 116.25 119.42 2oyl h VAL 341 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2oyl h VAL 341 Cb 0.37 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2oyl h VAL 341 CO 0.01 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.94 2oyl n LEU 342 N -4.68 0.00 0.00 2.57 4.77 -0.41 -4.39 117.00 114.86 2oyl n LEU 342 Ca 0.15 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2oyl n LEU 342 Cb 0.27 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2oyl n LEU 342 CO 0.28 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2oyl n GLY 343 N 0.21 1.21 3.55 -0.72 0.00 -0.43 -4.68 105.19 104.34 2oyl n GLY 343 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2oyl n GLY 343 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oyl n ASP 344 N 0.00 -3.53 -4.93 1.61 8.00 -0.18 -4.97 116.55 112.55 2oyl n ASP 344 Ca 0.00 -0.81 -0.25 0.00 0.71 0.00 0.00 54.79 54.44 2oyl n ASP 344 Cb 0.00 -4.32 -0.00 0.00 -0.02 0.00 0.00 41.12 36.78 2oyl n ASP 344 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oyl s VAL 345 N -3.52 4.84 0.71 2.53 -7.23 -0.30 -4.67 120.40 112.76 2oyl s VAL 345 Ca 0.22 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 2oyl s VAL 345 Cb -0.05 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 33.12 2oyl s VAL 345 CO 0.80 -0.62 1.16 -2.84 -0.31 0.00 0.00 175.10 173.28 2oyl s PRO 346 N -4.51 2.39 -0.08 4.82 0.02 -1.26 -4.60 135.00 131.79 2oyl s PRO 346 Ca 0.44 1.57 0.03 0.00 0.02 0.00 0.00 61.00 63.07 2oyl s PRO 346 Cb -0.10 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 2oyl s PRO 346 CO 0.39 -1.60 -0.17 0.42 -0.33 0.00 0.00 177.00 175.71 2oyl s ILE 347 N -2.19 2.73 -0.13 2.83 1.01 -1.26 -1.32 121.20 122.87 2oyl s ILE 347 Ca 0.70 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2oyl s ILE 347 Cb -0.25 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2oyl s ILE 347 CO 0.44 0.56 -0.17 -0.63 0.00 0.00 0.00 174.94 175.15 2oyl s ILE 348 N -0.23 1.69 -0.83 2.92 1.01 0.34 -1.66 121.20 124.43 2oyl s ILE 348 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 2oyl s ILE 348 Cb -0.13 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2oyl s ILE 348 CO 0.03 0.48 1.55 -0.22 0.00 0.00 0.00 174.94 176.78 2oyl s LEU 349 N 1.14 3.29 0.32 2.97 2.96 0.76 -3.49 118.68 126.64 2oyl s LEU 349 Ca -0.02 -0.64 0.10 0.00 -0.22 0.00 0.00 54.13 53.36 2oyl s LEU 349 Cb -0.14 -2.56 0.55 0.00 0.50 0.00 0.00 46.19 44.54 2oyl s LEU 349 CO -0.06 -2.00 1.73 1.23 -1.32 0.00 0.00 176.35 175.94 2oyl h GLY 350 N 14.43 0.08 -5.10 7.98 0.00 -1.51 -1.33 103.07 117.62 2oyl h GLY 350 Ca -0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 2oyl h GLY 350 CO 1.30 0.07 -0.25 -0.54 0.00 0.00 0.00 176.54 177.13 2oyl s GLU 351 N -4.04 0.51 0.08 4.80 2.02 -1.23 -4.43 118.70 116.40 2oyl s GLU 351 Ca -0.03 0.41 -0.26 0.00 0.02 0.00 0.00 54.97 55.12 2oyl s GLU 351 Cb 0.14 0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.69 2oyl s GLU 351 CO 0.75 -0.08 0.68 -0.59 0.02 0.00 0.00 175.26 176.04 2oyl s PHE 352 N -0.08 -0.52 0.00 1.61 -0.71 -1.26 -1.13 117.98 115.89 2oyl s PHE 352 Ca -0.03 0.48 0.00 0.00 -1.04 0.00 0.00 56.93 56.34 2oyl s PHE 352 Cb -0.03 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 2oyl s PHE 352 CO 0.01 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.57 2oyl n GLY 353 N -0.06 1.54 3.62 1.99 0.00 -1.26 -0.47 105.19 110.55 2oyl n GLY 353 Ca -0.16 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 2oyl n GLY 353 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2oyl s LEU 354 N 0.00 -0.28 -0.12 0.99 2.34 -1.26 -5.03 118.68 115.32 2oyl s LEU 354 Ca 0.00 -0.20 -0.29 0.00 0.06 0.00 0.00 54.13 53.70 2oyl s LEU 354 Cb 0.00 2.12 -0.06 0.00 -0.56 0.00 0.00 46.19 47.69 2oyl s LEU 354 CO 0.00 -0.78 2.11 -0.62 -1.06 0.00 0.00 176.35 176.00 2oyl s ASP 355 N -2.72 5.85 0.00 1.48 -1.08 -1.26 -4.25 116.67 114.68 2oyl s ASP 355 Ca 0.08 2.19 0.17 0.00 -0.52 0.00 0.00 52.55 54.47 2oyl s ASP 355 Cb -0.01 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.72 2oyl s ASP 355 CO -0.04 -1.60 1.51 0.35 0.52 0.00 0.00 175.17 175.91 2oyl n THR 356 N 6.89 0.67 1.37 1.71 -2.24 0.20 -2.39 114.28 120.48 2oyl n THR 356 Ca 0.26 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.34 2oyl n THR 356 Cb 0.43 -0.88 0.49 0.00 -2.10 0.00 0.00 70.33 68.27 2oyl n THR 356 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2oyl n THR 357 N -1.38 0.00 -2.36 4.28 -2.24 -1.26 -4.75 114.28 106.57 2oyl n THR 357 Ca 0.06 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2oyl n THR 357 Cb 0.16 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 2oyl n THR 357 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2oyl s LEU 358 N -2.36 3.90 0.27 3.22 1.43 -1.01 -4.98 118.68 119.16 2oyl s LEU 358 Ca 0.30 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 2oyl s LEU 358 Cb 0.20 -4.42 -0.12 0.00 0.03 0.00 0.00 46.19 41.87 2oyl s LEU 358 CO 0.46 -0.94 1.52 -2.65 0.23 0.00 0.00 176.35 174.97 2oyl n PRO 359 N -0.82 2.42 -0.99 1.29 -0.02 -1.26 -2.21 135.00 133.40 2oyl n PRO 359 Ca 0.09 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2oyl n PRO 359 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2oyl n PRO 359 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oyl n GLY 360 N 2.15 0.88 0.23 -1.23 0.00 -1.26 -1.71 105.19 104.25 2oyl n GLY 360 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2oyl n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyl h ALA 361 N 0.00 0.72 -0.59 4.61 0.00 -1.74 -1.32 119.26 120.93 2oyl h ALA 361 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2oyl h ALA 361 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2oyl h ALA 361 CO 0.00 0.04 0.30 -0.09 0.00 0.00 0.00 179.25 179.50 2oyl h ARG 362 N 0.65 0.85 -0.77 0.00 2.43 -1.85 -0.25 114.38 115.44 2oyl h ARG 362 Ca 0.23 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2oyl h ARG 362 Cb 0.04 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 2oyl h ARG 362 CO -0.11 0.67 0.49 -0.44 -1.51 0.00 0.00 179.97 179.07 2oyl h ASP 363 N 0.81 0.82 -0.08 -3.80 3.32 -1.85 0.14 116.42 115.79 2oyl h ASP 363 Ca 0.21 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2oyl h ASP 363 Cb 0.09 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2oyl h ASP 363 CO -0.03 0.57 0.02 0.22 -1.72 0.00 0.00 179.24 178.31 2oyl h TYR 364 N 0.97 0.13 -0.41 4.55 3.20 -0.84 -0.99 116.97 123.58 2oyl h TYR 364 Ca 0.30 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 2oyl h TYR 364 Cb -0.02 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2oyl h TYR 364 CO -0.03 0.30 0.23 0.82 -1.64 0.00 0.00 178.16 177.84 2oyl h ILE 365 N -0.07 1.03 -0.55 1.81 2.04 -0.70 -1.03 117.51 120.03 2oyl h ILE 365 Ca 0.03 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2oyl h ILE 365 Cb 0.23 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2oyl h ILE 365 CO -0.00 0.09 0.05 -0.33 0.00 0.00 0.00 178.15 177.96 2oyl h GLU 366 N 0.47 0.90 -0.31 2.37 5.08 -0.66 -1.70 114.58 120.73 2oyl h GLU 366 Ca 0.17 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2oyl h GLU 366 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2oyl h GLU 366 CO -0.09 0.86 0.11 -0.09 -1.00 0.00 0.00 179.01 178.81 2oyl h ARG 367 N 0.84 0.47 -0.41 2.33 2.43 -0.73 -1.33 114.38 117.99 2oyl h ARG 367 Ca 0.17 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2oyl h ARG 367 Cb 0.43 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2oyl h ARG 367 CO 0.01 0.50 0.23 0.28 -1.51 0.00 0.00 179.97 179.48 2oyl h VAL 368 N 0.34 1.03 -0.68 0.20 2.07 -0.93 0.26 116.25 118.54 2oyl h VAL 368 Ca 0.10 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2oyl h VAL 368 Cb 0.21 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2oyl h VAL 368 CO -0.01 0.09 0.23 1.88 0.02 0.00 0.00 177.57 179.78 2oyl h TYR 369 N 0.47 1.06 -0.57 1.57 0.05 -1.27 -0.01 116.97 118.27 2oyl h TYR 369 Ca 0.16 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2oyl h TYR 369 Cb 0.02 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 2oyl h TYR 369 CO -0.08 0.84 0.37 0.78 -1.05 0.00 0.00 178.16 179.02 2oyl h GLY 370 N 1.07 0.81 0.94 3.88 0.00 -0.87 -0.85 103.07 108.05 2oyl h GLY 370 Ca 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2oyl h GLY 370 CO -0.01 0.30 0.06 -0.84 0.00 0.00 0.00 176.54 176.05 2oyl h THR 371 N 0.77 1.08 -0.52 4.70 2.02 -0.56 -1.75 112.91 118.65 2oyl h THR 371 Ca 0.21 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.21 2oyl h THR 371 Cb -0.07 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2oyl h THR 371 CO -0.04 0.07 0.26 0.00 0.37 0.00 0.00 175.52 176.18 2oyl h ALA 372 N 0.97 0.67 -0.33 6.16 0.00 -0.83 -0.78 119.26 125.11 2oyl h ALA 372 Ca 0.04 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2oyl h ALA 372 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2oyl h ALA 372 CO -0.01 -0.09 0.07 -0.09 0.00 0.00 0.00 179.25 179.13 2oyl h ARG 373 N 0.50 0.19 -0.26 0.00 2.43 -1.00 0.93 114.38 117.16 2oyl h ARG 373 Ca 0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2oyl h ARG 373 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2oyl h ARG 373 CO -0.17 0.12 -0.05 0.93 -1.51 0.00 0.00 179.97 179.30 2oyl h GLU 374 N 0.19 0.40 -0.00 0.20 5.08 -0.81 -2.43 114.58 117.21 2oyl h GLU 374 Ca 0.16 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2oyl h GLU 374 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2oyl h GLU 374 CO -0.20 0.47 -0.09 -1.33 -1.00 0.00 0.00 179.01 176.86 2oyl n MET 375 N -4.29 0.57 -2.52 2.33 2.81 -0.34 -4.93 117.12 110.75 2oyl n MET 375 Ca 0.01 -0.16 -0.14 0.00 -1.81 0.00 0.00 57.70 55.60 2oyl n MET 375 Cb 0.25 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.27 2oyl n MET 375 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oyl n GLY 376 N 1.30 -0.16 3.88 3.03 0.00 -0.46 -4.77 105.19 108.01 2oyl n GLY 376 Ca 0.14 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2oyl n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyl s ALA 377 N -2.83 3.87 0.78 4.61 0.00 0.20 -4.57 121.76 123.81 2oyl s ALA 377 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2oyl s ALA 377 Cb -0.05 -1.89 0.06 0.00 0.00 0.00 0.00 23.12 21.24 2oyl s ALA 377 CO 0.13 0.68 1.08 0.20 0.00 0.00 0.00 175.76 177.85 2oyl s GLY 378 N -1.47 1.66 -0.03 0.00 0.00 -0.67 -4.55 107.32 102.27 2oyl s GLY 378 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2oyl s GLY 378 CO 0.11 0.49 0.00 0.14 0.00 0.00 0.00 173.10 173.84 2oyl s VAL 379 N -2.97 0.16 -0.30 1.40 1.01 0.03 -0.17 120.40 119.56 2oyl s VAL 379 Ca 0.61 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.72 2oyl s VAL 379 Cb -0.16 -0.26 0.08 0.00 0.00 0.00 0.00 36.38 36.03 2oyl s VAL 379 CO 0.56 0.14 -0.03 -0.94 0.00 0.00 0.00 175.10 174.83 2oyl s SER 380 N 1.05 4.62 0.30 3.32 1.04 -0.50 -1.28 113.70 122.25 2oyl s SER 380 Ca -0.09 -1.69 -0.29 0.00 0.48 0.00 0.00 55.95 54.35 2oyl s SER 380 Cb -0.13 -1.60 -0.10 0.00 0.10 0.00 0.00 66.02 64.29 2oyl s SER 380 CO -0.02 -0.28 1.33 -0.47 0.98 0.00 0.00 173.24 174.79 2oyl s TYR 381 N 1.04 3.07 -0.50 5.02 6.14 -0.44 -3.58 117.35 128.09 2oyl s TYR 381 Ca -0.01 1.33 -0.19 0.00 0.64 0.00 0.00 57.07 58.83 2oyl s TYR 381 Cb -0.20 -3.70 0.05 0.00 0.42 0.00 0.00 41.96 38.54 2oyl s TYR 381 CO -0.06 -2.00 0.64 -0.46 0.64 0.00 0.00 175.55 174.31 2oyl s TRP 382 N -0.81 3.04 0.30 4.97 -0.11 0.38 -0.27 118.94 126.44 2oyl s TRP 382 Ca 0.52 -0.47 -0.09 0.00 1.22 0.00 0.00 56.10 57.27 2oyl s TRP 382 Cb -0.40 -3.53 0.04 0.00 -1.50 0.00 0.00 33.47 28.08 2oyl s TRP 382 CO 0.50 -1.03 0.56 -1.13 -4.62 0.00 0.00 176.95 171.22 2oyl n SER 383 N 6.23 -1.61 0.02 5.86 3.41 -1.26 -4.40 113.62 121.87 2oyl n SER 383 Ca -0.06 -2.27 0.12 0.00 -0.26 0.00 0.00 58.87 56.40 2oyl n SER 383 Cb 0.46 2.73 0.51 0.00 -0.26 0.00 0.00 64.21 67.64 2oyl n SER 383 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2oyl n SER 384 N -1.48 0.11 -4.72 4.04 3.41 -0.39 -4.16 113.62 110.44 2oyl n SER 384 Ca -0.05 0.52 -0.40 0.00 -0.26 0.00 0.00 58.87 58.68 2oyl n SER 384 Cb 0.45 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2oyl n SER 384 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2oyl n ASP 385 N -1.61 2.65 -4.74 4.04 9.92 -1.26 -4.66 116.55 120.88 2oyl n ASP 385 Ca 0.06 1.05 -0.42 0.00 -0.53 0.00 0.00 54.79 54.95 2oyl n ASP 385 Cb 0.30 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.22 2oyl n ASP 385 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2oyl n PRO 386 N -0.40 2.60 0.00 -0.24 -0.04 -1.26 -4.23 135.00 131.44 2oyl n PRO 386 Ca 0.08 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2oyl n PRO 386 Cb 0.42 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 2oyl n PRO 386 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oyl n GLY 387 N 1.99 1.89 0.14 0.55 0.00 -0.46 -4.73 105.19 104.57 2oyl n GLY 387 Ca 0.08 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.33 2oyl n GLY 387 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oyl n PRO 388 N -1.93 0.20 0.07 1.61 -0.04 -1.26 -1.69 135.00 131.96 2oyl n PRO 388 Ca 0.00 0.44 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2oyl n PRO 388 Cb 0.00 -1.89 0.05 0.00 -0.04 0.00 0.00 33.50 31.62 2oyl n PRO 388 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2oyl h TRP 389 N 0.00 0.41 -4.25 0.54 4.06 -1.90 0.60 115.95 115.41 2oyl h TRP 389 Ca 0.00 -0.18 -0.21 0.00 2.06 0.00 0.00 58.89 60.56 2oyl h TRP 389 Cb 0.35 -0.06 0.04 0.00 -1.00 0.00 0.00 29.16 28.49 2oyl h TRP 389 CO 0.00 0.92 0.05 0.41 -3.56 0.00 0.00 178.44 176.26 2oyl n GLY 390 N 0.53 0.67 0.17 1.49 0.00 -0.68 -4.59 105.19 102.79 2oyl n GLY 390 Ca -0.03 -1.98 0.05 0.00 0.00 0.00 0.00 46.02 44.05 2oyl n GLY 390 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oyl h PRO 391 N 0.00 0.00 -4.62 1.61 0.13 -1.80 -3.42 132.00 123.89 2oyl h PRO 391 Ca -0.15 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.61 2oyl h PRO 391 Cb 0.55 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.40 2oyl h PRO 391 CO 0.16 0.41 -0.77 0.71 -0.23 0.00 0.00 178.00 178.28 2oyl s TYR 392 N -3.34 0.72 0.74 1.56 2.02 -1.26 -0.91 117.35 116.87 2oyl s TYR 392 Ca 0.02 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.45 2oyl s TYR 392 Cb 0.09 -0.46 0.03 0.00 -0.40 0.00 0.00 41.96 41.23 2oyl s TYR 392 CO 0.70 -0.01 1.07 -0.51 -1.57 0.00 0.00 175.55 175.23 2oyl s LEU 393 N -0.30 2.92 0.42 -1.29 1.43 0.11 -1.35 118.68 120.61 2oyl s LEU 393 Ca 0.02 1.50 0.22 0.00 -1.03 0.00 0.00 54.13 54.84 2oyl s LEU 393 Cb -0.04 -4.27 1.20 0.00 0.03 0.00 0.00 46.19 43.11 2oyl s LEU 393 CO -0.00 -1.65 1.75 -0.65 0.23 0.00 0.00 176.35 176.03 2oyl h PRO 394 N -0.87 0.29 -0.00 1.29 0.11 -1.89 0.27 132.00 131.21 2oyl h PRO 394 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2oyl h PRO 394 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2oyl h PRO 394 CO 0.58 0.19 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 2oyl n ASP 395 N -4.59 0.04 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.47 2oyl n ASP 395 Ca 0.27 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 2oyl n ASP 395 Cb 1.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 2oyl n ASP 395 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oyl n GLY 396 N 1.12 0.09 3.74 6.12 0.00 0.94 -5.06 105.19 112.14 2oyl n GLY 396 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2oyl n GLY 396 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2oyl n THR 397 N -2.00 1.61 -2.43 2.61 -1.04 -1.26 -4.66 114.28 107.12 2oyl n THR 397 Ca 0.00 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.20 2oyl n THR 397 Cb 0.00 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 66.66 2oyl n THR 397 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2oyl s GLN 398 N -1.41 4.60 0.84 -2.82 -0.21 -1.26 0.04 119.66 119.43 2oyl s GLN 398 Ca 0.58 1.86 -0.07 0.00 0.02 0.00 0.00 55.36 57.76 2oyl s GLN 398 Cb -0.52 -3.18 0.17 0.00 1.00 0.00 0.00 33.01 30.48 2oyl s GLN 398 CO 0.58 0.15 1.14 0.95 -2.12 0.00 0.00 175.29 175.99 2oyl s THR 399 N -1.10 2.02 -1.04 -0.19 -4.23 -0.09 -4.84 115.64 106.18 2oyl s THR 399 Ca 0.45 -0.38 0.16 0.00 -1.18 0.00 0.00 61.69 60.74 2oyl s THR 399 Cb -0.33 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.02 2oyl s THR 399 CO 0.42 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 176.01 2oyl n LEU 400 N -3.25 0.00 -0.12 4.79 -0.00 -1.26 -3.07 117.00 114.09 2oyl n LEU 400 Ca 0.16 0.48 -0.01 0.00 -0.00 0.00 0.00 56.01 56.64 2oyl n LEU 400 Cb 0.60 -0.48 0.23 0.00 -0.00 0.00 0.00 43.42 43.78 2oyl n LEU 400 CO 0.42 -0.22 1.05 0.25 -0.00 0.00 0.00 177.39 178.89 2oyl h LEU 401 N 0.00 0.74 0.32 1.47 5.85 -1.86 -3.01 115.31 118.82 2oyl h LEU 401 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2oyl h LEU 401 Cb 0.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2oyl h LEU 401 CO 0.00 0.67 -0.16 0.58 -0.34 0.00 0.00 178.44 179.20 2oyl h VAL 402 N 0.80 0.69 -0.07 1.05 2.07 -1.78 -0.87 116.25 118.13 2oyl h VAL 402 Ca 0.19 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 2oyl h VAL 402 Cb 0.17 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2oyl h VAL 402 CO -0.02 0.01 -0.27 0.44 0.02 0.00 0.00 177.57 177.76 2oyl h ASP 403 N -0.45 0.12 -0.52 0.57 3.32 -1.79 -1.23 116.42 116.43 2oyl h ASP 403 Ca -0.04 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2oyl h ASP 403 Cb 0.35 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2oyl h ASP 403 CO 0.07 0.39 0.11 0.74 -1.72 0.00 0.00 179.24 178.84 2oyl h THR 404 N 0.11 1.25 0.00 0.35 2.02 -1.33 -3.25 112.91 112.06 2oyl h THR 404 Ca 0.02 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2oyl h THR 404 Cb 0.54 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2oyl h THR 404 CO 0.04 0.32 -0.75 -0.07 0.37 0.00 0.00 175.52 175.43 2oyl h LEU 405 N 0.74 0.00 -6.94 2.58 3.38 -0.88 -3.42 115.31 110.78 2oyl h LEU 405 Ca 0.16 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.42 2oyl h LEU 405 Cb 0.36 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2oyl h LEU 405 CO 0.01 0.09 2.41 -3.20 0.09 0.00 0.00 178.44 177.84 2oyl n ASN 406 N -2.85 4.61 -4.30 -0.43 5.15 -0.49 -4.90 115.26 112.05 2oyl n ASN 406 Ca 0.00 -2.93 -0.20 0.00 -0.60 0.00 0.00 54.58 50.86 2oyl n ASN 406 Cb 0.59 -1.65 -0.11 0.00 -0.53 0.00 0.00 39.78 38.08 2oyl n ASN 406 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2oyl s LYS 407 N 2.90 1.18 0.46 1.20 -0.14 -1.26 -4.90 119.74 119.18 2oyl s LYS 407 Ca 0.48 -1.36 -0.25 0.00 -1.36 0.00 0.00 55.97 53.48 2oyl s LYS 407 Cb 0.08 -1.13 -0.08 0.00 -1.68 0.00 0.00 37.83 35.02 2oyl s LYS 407 CO -0.00 0.22 1.39 -1.25 -0.76 0.00 0.00 175.35 174.94 2oyl s PRO 408 N -2.84 3.62 0.02 -1.68 0.04 -1.26 -4.79 135.00 128.11 2oyl s PRO 408 Ca 0.14 2.32 -0.22 0.00 0.04 0.00 0.00 61.00 63.28 2oyl s PRO 408 Cb -0.05 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 31.96 2oyl s PRO 408 CO 0.05 -0.84 0.50 1.52 0.04 0.00 0.00 177.00 178.27 2oyl s TYR 409 N -1.24 -0.40 -0.02 0.56 1.13 -1.06 -4.71 117.35 111.61 2oyl s TYR 409 Ca 0.63 0.50 -0.30 0.00 -1.41 0.00 0.00 57.07 56.49 2oyl s TYR 409 Cb -0.42 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.70 2oyl s TYR 409 CO 0.53 -0.59 1.09 -2.14 -2.51 0.00 0.00 175.55 171.93 2oyl s PRO 410 N -2.10 4.45 -0.16 -3.49 0.02 -1.26 -1.07 135.00 131.38 2oyl s PRO 410 Ca -0.07 1.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.37 2oyl s PRO 410 Cb -0.01 -3.47 -0.23 0.00 0.02 0.00 0.00 34.50 30.82 2oyl s PRO 410 CO 0.01 -0.24 0.28 0.54 -0.33 0.00 0.00 177.00 177.25 2oyl n ARG 411 N 4.40 0.67 -3.60 5.54 1.74 0.47 -4.32 116.66 121.57 2oyl n ARG 411 Ca 0.08 0.41 -0.16 0.00 -0.77 0.00 0.00 57.85 57.41 2oyl n ARG 411 Cb 0.48 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 2oyl n ARG 411 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oyl s ALA 412 N -2.47 -0.34 -0.15 7.54 0.00 -1.02 -1.78 121.76 123.54 2oyl s ALA 412 Ca -0.26 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2oyl s ALA 412 Cb 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2oyl s ALA 412 CO 0.68 -0.84 0.02 0.08 0.00 0.00 0.00 175.76 175.71 2oyl s VAL 413 N 2.35 4.46 -1.28 0.00 1.01 0.22 -0.42 120.40 126.73 2oyl s VAL 413 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 2oyl s VAL 413 Cb -0.13 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2oyl s VAL 413 CO -0.09 0.50 2.00 0.00 0.00 0.00 0.00 175.10 177.51 2oyl n ALA 414 N 3.22 4.24 0.00 5.51 0.00 -1.26 -0.73 120.51 131.49 2oyl n ALA 414 Ca -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.56 2oyl n ALA 414 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2oyl n ALA 414 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oyl n GLY 415 N 4.74 1.71 3.61 0.00 0.00 -1.26 -4.36 105.19 109.62 2oyl n GLY 415 Ca 0.50 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2oyl n GLY 415 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oyl s THR 416 N -1.38 4.89 0.08 2.61 2.01 -1.00 -4.20 115.64 118.65 2oyl s THR 416 Ca 0.00 0.98 -0.31 0.00 0.31 0.00 0.00 61.69 62.67 2oyl s THR 416 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 2oyl s THR 416 CO 0.00 -0.16 1.43 -2.16 -0.69 0.00 0.00 174.62 173.04 2oyl s PRO 417 N 2.71 4.29 -0.07 4.92 0.04 -1.26 -0.37 135.00 145.26 2oyl s PRO 417 Ca 0.28 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2oyl s PRO 417 Cb -0.15 -3.38 -0.26 0.00 0.04 0.00 0.00 34.50 30.76 2oyl s PRO 417 CO 0.12 -0.52 0.58 1.79 0.04 0.00 0.00 177.00 179.00 2oyl h THR 418 N 4.50 0.82 -2.63 1.26 1.35 -1.55 -3.46 112.91 113.20 2oyl h THR 418 Ca -0.41 -2.56 0.01 0.00 -0.55 0.00 0.00 66.41 62.90 2oyl h THR 418 Cb 1.20 2.54 -0.14 0.00 -1.73 0.00 0.00 68.15 70.02 2oyl h THR 418 CO 0.89 0.75 0.29 -1.83 -0.25 0.00 0.00 175.52 175.37 2oyl s GLU 419 N -2.58 1.11 0.28 4.72 -1.05 -1.25 -5.02 118.70 114.91 2oyl s GLU 419 Ca -0.14 -0.30 -0.20 0.00 -0.15 0.00 0.00 54.97 54.19 2oyl s GLU 419 Cb 0.07 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2oyl s GLU 419 CO 0.81 -0.46 0.68 1.67 0.95 0.00 0.00 175.26 178.91 2oyl s TRP 420 N -3.13 -0.09 0.04 4.83 1.48 -1.26 -1.02 118.94 119.79 2oyl s TRP 420 Ca 0.00 -0.35 -0.21 0.00 -1.06 0.00 0.00 56.10 54.48 2oyl s TRP 420 Cb -0.01 0.63 0.05 0.00 -1.16 0.00 0.00 33.47 32.97 2oyl s TRP 420 CO -0.08 -1.21 0.49 -1.54 -4.06 0.00 0.00 176.95 170.55 2oyl s SER 421 N -2.94 -0.39 -0.07 -2.66 1.04 -0.38 -4.98 113.70 103.32 2oyl s SER 421 Ca 0.13 0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 2oyl s SER 421 Cb -0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.57 2oyl s SER 421 CO 0.07 -0.69 0.36 -0.94 0.98 0.00 0.00 173.24 173.02 2oyl s SER 422 N -1.94 -0.30 0.45 7.02 1.04 -1.26 -1.66 113.70 117.06 2oyl s SER 422 Ca -0.06 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2oyl s SER 422 Cb -0.01 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 2oyl s SER 422 CO -0.01 -0.34 0.04 0.35 0.98 0.00 0.00 173.24 174.26 2oyl n THR 423 N 1.87 0.00 -0.20 2.02 -2.24 -0.17 -4.97 114.28 110.59 2oyl n THR 423 Ca -0.18 -2.27 0.13 0.00 -2.27 0.00 0.00 64.05 59.46 2oyl n THR 423 Cb 0.57 0.57 0.44 0.00 -2.10 0.00 0.00 70.33 69.80 2oyl n THR 423 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2oyl h SER 424 N 1.28 0.52 0.00 3.42 0.02 -1.98 -3.05 113.55 113.76 2oyl h SER 424 Ca -0.37 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2oyl h SER 424 Cb 1.19 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 2oyl h SER 424 CO 0.61 0.28 -0.50 -0.90 -1.14 0.00 0.00 176.83 175.18 2oyl n ASP 425 N -4.51 1.62 -3.66 3.07 5.75 -1.26 -4.01 116.55 113.55 2oyl n ASP 425 Ca 0.14 -3.34 -0.12 0.00 -0.01 0.00 0.00 54.79 51.47 2oyl n ASP 425 Cb 0.45 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 2oyl n ASP 425 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2oyl s ARG 426 N -2.46 0.70 -0.04 0.11 3.52 -1.15 -4.17 118.95 115.46 2oyl s ARG 426 Ca 0.34 0.98 0.03 0.00 -0.13 0.00 0.00 55.73 56.95 2oyl s ARG 426 Cb 0.34 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 34.00 2oyl s ARG 426 CO -0.07 -0.11 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.03 2oyl s LEU 427 N 0.81 1.76 -0.01 -0.88 2.96 -0.59 -1.00 118.68 121.74 2oyl s LEU 427 Ca -0.04 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2oyl s LEU 427 Cb -0.05 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 2oyl s LEU 427 CO -0.06 0.07 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.37 2oyl s GLN 428 N 0.29 0.86 -0.07 1.98 0.74 -0.66 -0.03 119.66 122.76 2oyl s GLN 428 Ca -0.06 -0.33 -0.05 0.00 0.05 0.00 0.00 55.36 54.97 2oyl s GLN 428 Cb -0.11 -0.82 0.03 0.00 1.10 0.00 0.00 33.01 33.21 2oyl s GLN 428 CO 0.02 0.17 0.18 -1.17 -0.55 0.00 0.00 175.29 173.94 2oyl s LEU 429 N -0.07 0.91 -0.09 3.68 2.96 -0.01 -1.25 118.68 124.81 2oyl s LEU 429 Ca 0.01 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2oyl s LEU 429 Cb -0.06 0.52 -0.03 0.00 0.50 0.00 0.00 46.19 47.13 2oyl s LEU 429 CO -0.00 -0.12 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.93 2oyl s THR 430 N 0.76 3.48 -0.09 3.68 2.01 -0.19 0.33 115.64 125.62 2oyl s THR 430 Ca -0.06 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.43 2oyl s THR 430 Cb -0.07 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 70.01 2oyl s THR 430 CO -0.04 0.56 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 2oyl s ILE 431 N -0.36 1.50 -0.26 1.82 1.01 0.95 -1.28 121.20 124.58 2oyl s ILE 431 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 2oyl s ILE 431 Cb -0.12 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 2oyl s ILE 431 CO 0.02 0.44 1.31 -1.61 0.00 0.00 0.00 174.94 175.10 2oyl s GLU 432 N 0.73 4.00 0.58 2.79 2.02 0.50 -1.16 118.70 128.15 2oyl s GLU 432 Ca -0.12 1.39 -0.19 0.00 0.02 0.00 0.00 54.97 56.07 2oyl s GLU 432 Cb -0.16 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 2oyl s GLU 432 CO 0.03 -1.01 1.17 -1.25 0.02 0.00 0.00 175.26 174.21 2oyl s PRO 433 N 4.01 3.11 -0.28 0.39 0.04 -1.26 -2.39 135.00 138.62 2oyl s PRO 433 Ca 0.57 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 2oyl s PRO 433 Cb -0.19 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.49 2oyl s PRO 433 CO 0.21 -1.07 0.12 0.34 0.04 0.00 0.00 177.00 176.64 2oyl s ASP 434 N -1.75 3.53 0.57 6.66 -1.08 -1.26 -4.88 116.67 118.45 2oyl s ASP 434 Ca 0.75 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 2oyl s ASP 434 Cb -0.27 -0.45 1.69 0.00 -1.46 0.00 0.00 42.92 42.43 2oyl s ASP 434 CO 0.31 -0.42 2.19 0.00 0.52 0.00 0.00 175.17 177.77 2oyl h ALA 435 N 8.34 1.43 0.00 3.66 0.00 -1.95 -2.20 119.26 128.54 2oyl h ALA 435 Ca -0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2oyl h ALA 435 Cb 1.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2oyl h ALA 435 CO 0.43 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.63 2oyl h ALA 436 N 1.95 1.12 -2.47 0.00 0.00 -1.98 -3.42 119.26 114.46 2oyl h ALA 436 Ca -0.00 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.23 2oyl h ALA 436 Cb 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2oyl h ALA 436 CO 0.01 0.14 0.29 0.42 0.00 0.00 0.00 179.25 180.11 2oyl s ILE 437 N -3.93 4.93 -0.05 0.00 1.01 -0.83 -4.93 121.20 117.39 2oyl s ILE 437 Ca -0.01 1.53 0.15 0.00 0.00 0.00 0.00 60.65 62.32 2oyl s ILE 437 Cb 0.11 -4.09 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2oyl s ILE 437 CO 0.57 0.08 0.35 0.35 0.00 0.00 0.00 174.94 176.29 2oyl n THR 438 N 4.56 0.00 -2.28 2.92 -2.24 -1.26 -4.99 114.28 110.99 2oyl n THR 438 Ca 0.03 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 2oyl n THR 438 Cb 0.49 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 2oyl n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oyl s ALA 439 N -3.02 3.16 0.61 6.98 0.00 -1.26 -5.00 121.76 123.24 2oyl s ALA 439 Ca -0.05 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 2oyl s ALA 439 Cb 0.10 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2oyl s ALA 439 CO 0.63 -0.54 1.05 -1.25 0.00 0.00 0.00 175.76 175.65 2oyl s PRO 440 N -2.28 3.30 0.20 0.00 0.04 -1.26 -4.67 135.00 130.32 2oyl s PRO 440 Ca 0.57 1.09 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2oyl s PRO 440 Cb -0.31 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2oyl s PRO 440 CO 0.39 -0.82 1.43 0.99 0.04 0.00 0.00 177.00 179.03 2oyl s THR 441 N -2.66 2.89 -0.13 1.26 2.01 -0.06 -4.63 115.64 114.32 2oyl s THR 441 Ca 0.61 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.31 2oyl s THR 441 Cb -0.15 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2oyl s THR 441 CO 0.42 0.09 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.59 2oyl s GLU 442 N 0.27 3.34 -0.01 4.92 2.12 0.44 -1.16 118.70 128.61 2oyl s GLU 442 Ca 0.62 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2oyl s GLU 442 Cb -0.40 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 2oyl s GLU 442 CO 0.37 0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 175.65 2oyl s ILE 443 N 0.33 0.63 -0.09 -3.70 1.01 0.12 -0.40 121.20 119.11 2oyl s ILE 443 Ca -0.11 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 2oyl s ILE 443 Cb -0.16 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2oyl s ILE 443 CO 0.06 0.19 0.51 -0.47 0.00 0.00 0.00 174.94 175.23 2oyl s TYR 444 N -0.02 3.56 -0.15 3.97 5.04 -0.23 -0.23 117.35 129.28 2oyl s TYR 444 Ca 0.01 0.97 -0.00 0.00 -2.44 0.00 0.00 57.07 55.61 2oyl s TYR 444 Cb -0.05 -2.56 0.03 0.00 0.35 0.00 0.00 41.96 39.73 2oyl s TYR 444 CO -0.00 0.22 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.83 2oyl s LEU 445 N 0.41 1.56 0.35 6.97 1.43 -0.67 -2.57 118.68 126.16 2oyl s LEU 445 Ca 0.27 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 2oyl s LEU 445 Cb -0.16 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.98 2oyl s LEU 445 CO 0.12 -0.13 1.26 -2.16 0.23 0.00 0.00 176.35 175.67 2oyl s PRO 446 N 1.60 4.25 0.44 1.29 0.04 -1.26 -4.80 135.00 136.56 2oyl s PRO 446 Ca 0.03 2.09 0.11 0.00 0.04 0.00 0.00 61.00 63.26 2oyl s PRO 446 Cb -0.14 -2.94 0.97 0.00 0.04 0.00 0.00 34.50 32.43 2oyl s PRO 446 CO -0.09 -0.23 2.04 1.49 0.04 0.00 0.00 177.00 180.26 2oyl h GLU 447 N 3.14 0.27 -0.26 4.56 4.81 -1.95 -1.81 114.58 123.33 2oyl h GLU 447 Ca -0.49 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2oyl h GLU 447 Cb 1.23 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2oyl h GLU 447 CO 0.64 0.24 -0.32 0.00 -0.73 0.00 0.00 179.01 178.85 2oyl h ALA 448 N 1.80 -0.28 0.00 2.92 0.00 -1.93 -2.46 119.26 119.31 2oyl h ALA 448 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2oyl h ALA 448 Cb 0.09 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2oyl h ALA 448 CO -0.00 -0.76 -0.84 0.41 0.00 0.00 0.00 179.25 178.06 2oyl n GLY 449 N -1.41 -1.39 2.43 0.00 0.00 -1.16 -4.46 105.19 99.20 2oyl n GLY 449 Ca -0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 2oyl n GLY 449 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2oyl n PHE 450 N -2.29 2.71 0.65 1.61 3.01 -0.69 -4.69 117.46 117.77 2oyl n PHE 450 Ca 0.02 -4.00 0.10 0.00 1.01 0.00 0.00 57.45 54.58 2oyl n PHE 450 Cb 0.48 -0.50 0.44 0.00 -0.01 0.00 0.00 39.48 39.88 2oyl n PHE 450 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2oyl n PRO 451 N 0.79 0.05 0.00 -1.08 -0.04 -0.95 -4.49 135.00 129.28 2oyl n PRO 451 Ca 0.28 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2oyl n PRO 451 Cb 0.44 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2oyl n PRO 451 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oyl n GLY 452 N 0.56 3.69 3.94 0.55 0.00 -1.26 -5.10 105.19 107.58 2oyl n GLY 452 Ca 0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2oyl n GLY 452 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oyl s ASP 453 N 1.00 5.56 0.16 1.61 -1.08 -1.26 -4.98 116.67 117.68 2oyl s ASP 453 Ca 0.00 0.42 0.06 0.00 -0.52 0.00 0.00 52.55 52.51 2oyl s ASP 453 Cb 0.00 -1.46 -0.04 0.00 -1.46 0.00 0.00 42.92 39.96 2oyl s ASP 453 CO 0.00 -0.99 0.05 0.68 0.52 0.00 0.00 175.17 175.43 2oyl s VAL 454 N -2.82 4.02 -0.15 1.11 -7.23 -1.26 -0.88 120.40 113.19 2oyl s VAL 454 Ca 0.53 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2oyl s VAL 454 Cb -0.10 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 33.83 2oyl s VAL 454 CO 0.41 -0.08 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.65 2oyl s HIS 455 N -1.69 2.48 -0.11 2.82 2.46 0.92 -4.54 115.29 117.63 2oyl s HIS 455 Ca 0.28 -1.33 0.03 0.00 0.47 0.00 0.00 55.06 54.51 2oyl s HIS 455 Cb -0.10 -1.73 0.01 0.00 -0.13 0.00 0.00 32.58 30.63 2oyl s HIS 455 CO 0.20 -0.65 -0.19 0.08 -2.47 0.00 0.00 174.74 171.71 2oyl s VAL 456 N 1.09 1.80 -0.03 0.89 1.01 -1.26 -1.17 120.40 122.73 2oyl s VAL 456 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2oyl s VAL 456 Cb -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2oyl s VAL 456 CO -0.06 0.50 -0.10 -1.61 0.00 0.00 0.00 175.10 173.82 2oyl s GLU 457 N 0.72 2.54 0.00 2.72 0.41 -0.24 -4.64 118.70 120.22 2oyl s GLU 457 Ca -0.11 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.76 2oyl s GLU 457 Cb -0.16 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2oyl s GLU 457 CO 0.02 0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 2oyl n GLY 458 N 1.98 0.83 3.31 -1.39 0.00 -1.26 -1.08 105.19 107.58 2oyl n GLY 458 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2oyl n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyl s ALA 459 N -2.77 -0.92 -0.15 4.61 0.00 -1.26 -4.70 121.76 116.57 2oyl s ALA 459 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 2oyl s ALA 459 Cb 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 2oyl s ALA 459 CO 0.00 -0.59 0.22 -0.51 0.00 0.00 0.00 175.76 174.88 2oyl s ASP 460 N -2.61 6.39 -0.27 0.00 1.01 0.07 -4.88 116.67 116.38 2oyl s ASP 460 Ca 0.01 0.46 -0.28 0.00 0.71 0.00 0.00 52.55 53.45 2oyl s ASP 460 Cb 0.01 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.82 2oyl s ASP 460 CO -0.10 0.22 1.01 -0.69 0.21 0.00 0.00 175.17 175.82 2oyl s VAL 461 N -0.09 4.64 -0.08 -1.27 1.01 -1.26 -0.85 120.40 122.50 2oyl s VAL 461 Ca 0.14 1.79 0.21 0.00 0.00 0.00 0.00 61.98 64.12 2oyl s VAL 461 Cb -0.12 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.67 2oyl s VAL 461 CO 0.03 -0.29 0.52 1.33 0.00 0.00 0.00 175.10 176.69 2oyl n VAL 462 N 5.55 0.30 -3.56 2.92 0.24 0.10 -4.97 118.33 118.90 2oyl n VAL 462 Ca 0.11 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.34 61.70 2oyl n VAL 462 Cb 0.47 -0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 2oyl n VAL 462 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2oyl s GLY 463 N -4.62 -0.44 -0.27 7.63 0.00 -0.89 -4.99 107.32 103.74 2oyl s GLY 463 Ca -0.07 1.75 -0.02 0.00 0.00 0.00 0.00 44.72 46.38 2oyl s GLY 463 CO 0.88 1.15 0.24 0.86 0.00 0.00 0.00 173.10 176.23 2oyl s TRP 464 N -0.86 -0.24 -0.46 1.90 -0.00 -1.26 -0.60 118.94 117.42 2oyl s TRP 464 Ca -0.06 -0.28 -0.16 0.00 -0.00 0.00 0.00 56.10 55.61 2oyl s TRP 464 Cb -0.01 -0.55 0.05 0.00 -0.00 0.00 0.00 33.47 32.96 2oyl s TRP 464 CO 0.05 -0.84 0.41 0.34 -0.00 0.00 0.00 176.95 176.90 2oyl s ASP 465 N 2.29 6.15 0.00 5.86 -1.08 -0.70 -4.94 116.67 124.26 2oyl s ASP 465 Ca 0.09 -1.11 0.22 0.00 -0.52 0.00 0.00 52.55 51.22 2oyl s ASP 465 Cb -0.15 -2.20 1.01 0.00 -1.46 0.00 0.00 42.92 40.13 2oyl s ASP 465 CO -0.30 -0.63 1.69 0.54 0.52 0.00 0.00 175.17 176.99 2oyl n ARG 466 N 5.35 0.17 -0.08 4.34 1.74 -1.26 -0.51 116.66 126.41 2oyl n ARG 466 Ca -0.11 0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2oyl n ARG 466 Cb 0.45 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 2oyl n ARG 466 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2oyl n GLN 467 N -1.39 0.48 0.06 5.56 6.02 -1.26 -4.30 117.38 122.54 2oyl n GLN 467 Ca 0.08 0.51 0.10 0.00 -0.01 0.00 0.00 57.00 57.68 2oyl n GLN 467 Cb 0.21 -1.68 0.41 0.00 1.02 0.00 0.00 30.24 30.20 2oyl n GLN 467 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2oyl n SER 468 N -4.57 0.31 -1.51 1.08 3.41 -1.23 -4.90 113.62 106.22 2oyl n SER 468 Ca -0.12 0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 2oyl n SER 468 Cb 0.36 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 2oyl n SER 468 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2oyl n ARG 469 N -1.83 -1.17 -3.74 4.33 5.12 0.33 -4.97 116.66 114.73 2oyl n ARG 469 Ca 0.03 0.89 -0.37 0.00 -1.93 0.00 0.00 57.85 56.47 2oyl n ARG 469 Cb 0.23 -5.16 -0.12 0.00 -1.16 0.00 0.00 32.46 26.24 2oyl n ARG 469 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2oyl s LEU 470 N -4.04 3.56 -0.17 0.55 1.43 -1.02 -1.68 118.68 117.31 2oyl s LEU 470 Ca 0.00 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2oyl s LEU 470 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2oyl s LEU 470 CO 0.00 -0.07 0.25 -0.22 0.23 0.00 0.00 176.35 176.54 2oyl s LEU 471 N 1.60 4.23 -0.10 1.79 2.96 0.68 -1.72 118.68 128.13 2oyl s LEU 471 Ca 0.06 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 2oyl s LEU 471 Cb -0.16 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 2oyl s LEU 471 CO 0.04 0.12 -0.21 0.42 -1.32 0.00 0.00 176.35 175.39 2oyl s THR 472 N 0.47 2.35 0.12 3.68 -4.23 0.23 0.15 115.64 118.41 2oyl s THR 472 Ca 0.14 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 2oyl s THR 472 Cb -0.12 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2oyl s THR 472 CO 0.02 0.56 -0.04 0.68 -0.54 0.00 0.00 174.62 175.29 2oyl s VAL 473 N 0.18 0.66 -0.01 2.29 -7.23 -0.31 -0.72 120.40 115.25 2oyl s VAL 473 Ca -0.12 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2oyl s VAL 473 Cb -0.16 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2oyl s VAL 473 CO 0.07 -0.76 -0.17 -0.13 -0.31 0.00 0.00 175.10 173.80 2oyl s ARG 474 N -3.86 1.35 0.18 4.82 0.52 -0.03 -0.88 118.95 121.05 2oyl s ARG 474 Ca 0.15 -0.60 0.11 0.00 -0.52 0.00 0.00 55.73 54.87 2oyl s ARG 474 Cb 0.06 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 2oyl s ARG 474 CO -0.02 0.36 -0.23 0.95 0.02 0.00 0.00 175.30 176.37 2oyl s THR 475 N -0.39 2.23 0.55 0.02 -4.23 -1.26 -0.75 115.64 111.80 2oyl s THR 475 Ca 0.06 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 2oyl s THR 475 Cb -0.06 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.68 2oyl s THR 475 CO -0.01 -0.14 1.21 -2.16 -0.54 0.00 0.00 174.62 172.99 2oyl s PRO 476 N -2.62 3.20 0.00 3.99 0.04 -1.26 -4.96 135.00 133.39 2oyl s PRO 476 Ca 0.19 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.17 2oyl s PRO 476 Cb -0.08 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.51 2oyl s PRO 476 CO 0.09 -1.03 0.94 0.00 0.04 0.00 0.00 177.00 177.03 2oyl n ALA 477 N -1.24 2.34 -0.74 8.56 0.00 -1.26 -4.65 120.51 123.51 2oyl n ALA 477 Ca 0.12 -0.79 0.07 0.00 0.00 0.00 0.00 53.44 52.84 2oyl n ALA 477 Cb 0.49 -0.29 0.11 0.00 0.00 0.00 0.00 19.45 19.75 2oyl n ALA 477 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2oyl n ASP 478 N 0.37 2.39 -0.36 0.00 5.75 -1.26 -4.63 116.55 118.81 2oyl n ASP 478 Ca 0.06 -2.75 0.06 0.00 -0.01 0.00 0.00 54.79 52.15 2oyl n ASP 478 Cb 0.28 -0.31 0.10 0.00 -1.03 0.00 0.00 41.12 40.15 2oyl n ASP 478 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2oyl n SER 479 N -1.05 1.46 -0.00 -1.12 3.41 -1.26 -5.12 113.62 109.94 2oyl n SER 479 Ca 0.12 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2oyl n SER 479 Cb 0.55 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2oyl n SER 479 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oyl n GLY 480 N -0.83 -1.20 3.76 5.00 0.00 -1.26 -4.84 105.19 105.82 2oyl n GLY 480 Ca 0.11 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 2oyl n GLY 480 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oyl s ASN 481 N -4.00 6.64 -0.12 1.61 0.01 -1.26 -4.42 114.94 113.41 2oyl s ASN 481 Ca 0.00 2.73 0.01 0.00 -0.71 0.00 0.00 52.86 54.89 2oyl s ASN 481 Cb 0.00 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 2oyl s ASN 481 CO 0.00 -0.68 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.09 2oyl s VAL 482 N -0.50 3.01 -0.23 1.60 1.01 -0.31 -4.91 120.40 120.08 2oyl s VAL 482 Ca 0.55 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2oyl s VAL 482 Cb -0.42 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2oyl s VAL 482 CO 0.49 0.54 0.11 -0.89 0.00 0.00 0.00 175.10 175.34 2oyl s THR 483 N 0.17 4.87 -0.15 3.92 2.01 -1.26 -0.03 115.64 125.17 2oyl s THR 483 Ca -0.08 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2oyl s THR 483 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2oyl s THR 483 CO 0.05 0.37 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 2oyl s VAL 484 N 1.05 3.58 -0.13 3.82 1.01 0.15 -4.27 120.40 125.61 2oyl s VAL 484 Ca 0.05 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2oyl s VAL 484 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2oyl s VAL 484 CO 0.04 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 2oyl s THR 485 N 0.40 1.83 -0.18 3.92 2.01 -0.24 -0.83 115.64 122.55 2oyl s THR 485 Ca -0.06 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 2oyl s THR 485 Cb -0.15 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2oyl s THR 485 CO 0.04 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 2oyl s VAL 486 N 0.90 2.45 0.08 3.82 1.01 0.95 -1.08 120.40 128.54 2oyl s VAL 486 Ca -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2oyl s VAL 486 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2oyl s VAL 486 CO -0.02 0.51 -0.06 0.42 0.00 0.00 0.00 175.10 175.95 2oyl s THR 487 N 1.19 0.60 0.31 3.92 -4.23 -0.32 -1.54 115.64 115.57 2oyl s THR 487 Ca 0.02 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 2oyl s THR 487 Cb -0.14 -1.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.14 2oyl s THR 487 CO -0.07 -0.80 1.31 -2.84 -0.54 0.00 0.00 174.62 171.67 2oyl s PRO 488 N -3.42 4.36 0.39 3.99 0.02 -1.26 -0.05 135.00 139.03 2oyl s PRO 488 Ca 0.07 2.19 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 2oyl s PRO 488 Cb 0.03 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 2oyl s PRO 488 CO -0.04 -0.19 1.15 0.00 -0.33 0.00 0.00 177.00 177.58 2oyl s ALA 489 N -0.94 3.16 -1.97 -1.55 0.00 -0.06 -4.62 121.76 115.78 2oyl s ALA 489 Ca 0.50 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2oyl s ALA 489 Cb -0.39 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2oyl s ALA 489 CO 0.50 -0.46 0.49 0.00 0.00 0.00 0.00 175.76 176.29