#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2a s PRO 29 N 0.00 4.36 0.32 1.61 0.04 -1.26 -4.69 135.00 135.38 1l2a s PRO 29 Ca 0.00 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1l2a s PRO 29 Cb 0.00 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1l2a s PRO 29 CO 0.00 0.05 0.12 0.95 0.04 0.00 0.00 177.00 178.16 1l2a s THR 30 N -1.63 0.60 0.23 1.26 -4.23 -0.33 -4.97 115.64 106.58 1l2a s THR 30 Ca 0.54 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 1l2a s THR 30 Cb -0.21 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1l2a s THR 30 CO 0.26 0.00 1.04 -0.54 -0.54 0.00 0.00 174.62 174.84 1l2a s LYS 31 N -3.85 4.71 0.20 3.99 -0.14 -1.26 -2.76 119.74 120.63 1l2a s LYS 31 Ca 0.33 1.66 -0.30 0.00 -1.36 0.00 0.00 55.97 56.30 1l2a s LYS 31 Cb 0.06 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.86 1l2a s LYS 31 CO 0.16 0.29 1.41 0.00 -0.76 0.00 0.00 175.35 176.45 1l2a s ALA 32 N -0.91 3.61 -1.70 5.17 0.00 -0.71 -4.92 121.76 122.31 1l2a s ALA 32 Ca 0.44 1.24 0.30 0.00 0.00 0.00 0.00 51.96 53.95 1l2a s ALA 32 Cb -0.29 -3.54 1.48 0.00 0.00 0.00 0.00 23.12 20.77 1l2a s ALA 32 CO 0.36 -0.67 2.01 -0.35 0.00 0.00 0.00 175.76 177.11 1l2a n PRO 33 N 2.86 0.72 -1.51 0.00 -0.04 -1.26 -4.95 135.00 130.82 1l2a n PRO 33 Ca 0.08 -0.13 -0.55 0.00 -0.04 0.00 0.00 63.50 62.86 1l2a n PRO 33 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1l2a n PRO 33 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1l2a n THR 34 N -1.03 0.42 -2.33 0.52 -1.04 -1.26 -4.91 114.28 104.66 1l2a n THR 34 Ca 0.17 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 1l2a n THR 34 Cb 0.23 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1l2a n THR 34 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1l2a s LYS 35 N -0.13 4.44 0.42 -2.82 0.00 -1.26 -4.88 119.74 115.50 1l2a s LYS 35 Ca 0.84 1.92 -0.24 0.00 0.00 0.00 0.00 55.97 58.49 1l2a s LYS 35 Cb -1.12 -3.25 -0.11 0.00 0.00 0.00 0.00 37.83 33.35 1l2a s LYS 35 CO 0.55 -0.18 0.86 -0.25 0.00 0.00 0.00 175.35 176.33 1l2a n ASP 36 N 2.88 0.56 0.00 0.03 9.92 -1.26 -2.40 116.55 126.28 1l2a n ASP 36 Ca 0.06 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 1l2a n ASP 36 Cb 0.44 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 1l2a n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l2a n GLY 37 N 1.38 0.85 3.71 0.44 0.00 0.12 -5.00 105.19 106.70 1l2a n GLY 37 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1l2a n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 38 N -3.25 2.86 0.58 2.61 2.01 -1.01 -4.74 115.64 114.70 1l2a s THR 38 Ca 0.00 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.40 1l2a s THR 38 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1l2a s THR 38 CO 0.00 0.04 1.15 -0.94 -0.69 0.00 0.00 174.62 174.17 1l2a s SER 39 N 1.33 5.42 0.45 3.53 1.04 -1.26 -0.20 113.70 124.01 1l2a s SER 39 Ca 0.69 2.20 0.11 0.00 0.48 0.00 0.00 55.95 59.43 1l2a s SER 39 Cb -0.41 -2.58 0.99 0.00 0.10 0.00 0.00 66.02 64.12 1l2a s SER 39 CO 0.31 -1.42 2.07 1.88 0.98 0.00 0.00 173.24 177.05 1l2a h TYR 40 N 0.85 0.28 -0.28 5.02 0.05 -1.88 -1.24 116.97 119.77 1l2a h TYR 40 Ca -0.49 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.35 1l2a h TYR 40 Cb 1.27 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.85 1l2a h TYR 40 CO 0.51 0.22 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.47 1l2a h LYS 41 N 0.29 -0.10 -0.29 4.88 3.64 -1.90 -0.34 116.57 122.74 1l2a h LYS 41 Ca 0.08 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1l2a h LYS 41 Cb 0.04 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1l2a h LYS 41 CO -0.01 -0.07 -0.30 -0.44 -2.27 0.00 0.00 179.45 176.37 1l2a h ASP 42 N -0.10 0.62 -0.81 4.20 3.32 -1.72 -1.18 116.42 120.76 1l2a h ASP 42 Ca 0.15 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1l2a h ASP 42 Cb 0.32 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1l2a h ASP 42 CO -0.34 0.89 0.43 -0.07 -1.72 0.00 0.00 179.24 178.42 1l2a h LEU 43 N 0.52 1.02 -0.33 1.55 3.38 -1.04 -0.85 115.31 119.56 1l2a h LEU 43 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1l2a h LEU 43 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1l2a h LEU 43 CO 0.06 0.84 0.18 0.15 0.09 0.00 0.00 178.44 179.76 1l2a h PHE 44 N 1.12 0.45 -0.84 1.13 3.57 -0.52 -1.47 116.94 120.39 1l2a h PHE 44 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1l2a h PHE 44 Cb 0.06 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1l2a h PHE 44 CO 0.01 0.36 0.49 -0.07 -2.23 0.00 0.00 178.31 176.87 1l2a h LEU 45 N 0.41 1.01 -0.24 0.59 3.38 -0.95 0.28 115.31 119.79 1l2a h LEU 45 Ca 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1l2a h LEU 45 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1l2a h LEU 45 CO -0.02 0.79 0.11 -0.08 0.09 0.00 0.00 178.44 179.34 1l2a h GLU 46 N 1.15 0.34 -0.46 1.13 4.81 -0.85 -0.10 114.58 120.61 1l2a h GLU 46 Ca 0.30 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1l2a h GLU 46 Cb -0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1l2a h GLU 46 CO -0.05 0.35 -0.05 1.25 -0.73 0.00 0.00 179.01 179.78 1l2a h LEU 47 N 0.25 0.83 0.42 1.64 6.46 -0.92 -2.73 115.31 121.26 1l2a h LEU 47 Ca 0.08 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1l2a h LEU 47 Cb 0.12 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 1l2a h LEU 47 CO -0.01 0.97 -0.42 0.22 -0.62 0.00 0.00 178.44 178.58 1l2a h TYR 48 N 0.68 -1.14 -1.02 1.25 3.20 -0.33 0.16 116.97 119.77 1l2a h TYR 48 Ca 0.12 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.27 1l2a h TYR 48 Cb 0.57 0.44 -0.12 0.00 1.54 0.00 0.00 36.73 39.16 1l2a h TYR 48 CO 0.04 -0.57 0.61 0.78 -1.64 0.00 0.00 178.16 177.39 1l2a h GLY 49 N -0.85 1.78 1.57 1.82 0.00 -1.03 -1.27 103.07 105.10 1l2a h GLY 49 Ca -0.04 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 1l2a h GLY 49 CO -0.07 -0.27 -1.00 0.50 0.00 0.00 0.00 176.54 175.71 1l2a h LYS 50 N 0.49 0.37 -0.04 4.80 1.57 -1.14 -1.50 116.57 121.11 1l2a h LYS 50 Ca 0.66 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1l2a h LYS 50 Cb 1.40 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 1l2a h LYS 50 CO -0.46 1.12 -0.12 0.82 -0.57 0.00 0.00 179.45 180.24 1l2a h ILE 51 N 0.19 1.12 0.00 1.86 2.04 0.41 -3.17 117.51 119.96 1l2a h ILE 51 Ca -0.09 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1l2a h ILE 51 Cb 1.65 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1l2a h ILE 51 CO 0.17 0.16 -0.94 0.29 0.00 0.00 0.00 178.15 177.83 1l2a n LYS 52 N -4.36 0.15 -2.03 2.37 4.76 -0.65 -4.59 118.16 113.82 1l2a n LYS 52 Ca -0.02 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1l2a n LYS 52 Cb 0.21 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1l2a n LYS 52 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1l2a s ASP 53 N -3.46 6.69 0.30 4.39 2.15 -0.57 -4.92 116.67 121.25 1l2a s ASP 53 Ca 0.06 2.21 0.04 0.00 0.43 0.00 0.00 52.55 55.29 1l2a s ASP 53 Cb 0.16 -2.54 0.77 0.00 -0.30 0.00 0.00 42.92 41.01 1l2a s ASP 53 CO 0.80 -0.91 1.64 -0.65 -0.17 0.00 0.00 175.17 175.88 1l2a h PRO 54 N 9.39 0.19 -0.56 4.34 0.11 -1.91 -1.84 132.00 141.73 1l2a h PRO 54 Ca -0.39 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.84 1l2a h PRO 54 Cb 1.17 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1l2a h PRO 54 CO 0.95 0.13 0.38 0.87 -0.21 0.00 0.00 178.00 180.13 1l2a h LYS 55 N 0.20 0.20 0.00 1.05 6.56 -1.97 -2.25 116.57 120.36 1l2a h LYS 55 Ca 0.58 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 60.02 1l2a h LYS 55 Cb 1.21 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.80 1l2a h LYS 55 CO -0.67 0.13 -0.69 -0.91 -2.06 0.00 0.00 179.45 175.25 1l2a h ASN 56 N 0.20 0.00 -5.26 0.86 2.35 -1.65 -3.48 115.58 108.60 1l2a h ASN 56 Ca 0.26 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.71 1l2a h ASN 56 Cb 0.77 0.00 0.15 0.00 0.05 0.00 0.00 38.32 39.28 1l2a h ASN 56 CO -0.05 0.69 -0.67 0.61 -1.65 0.00 0.00 177.43 176.36 1l2a n GLY 57 N 0.94 -0.29 0.18 2.83 0.00 -0.85 -4.93 105.19 103.07 1l2a n GLY 57 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1l2a n GLY 57 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1l2a h TYR 58 N -1.82 0.00 -3.69 1.61 0.05 -1.83 -3.43 116.97 107.86 1l2a h TYR 58 Ca -0.52 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.59 1l2a h TYR 58 Cb 1.31 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.87 1l2a h TYR 58 CO 0.40 0.33 -0.76 -0.06 -1.05 0.00 0.00 178.16 177.03 1l2a s PHE 59 N -3.29 2.69 0.39 4.88 0.40 -1.26 -1.27 117.98 120.51 1l2a s PHE 59 Ca 0.03 -0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 55.90 1l2a s PHE 59 Cb 0.08 -1.45 -0.11 0.00 0.51 0.00 0.00 43.02 42.06 1l2a s PHE 59 CO 0.69 0.37 1.47 -1.54 0.70 0.00 0.00 175.22 176.91 1l2a s SER 60 N -1.88 6.28 0.23 1.36 1.04 0.16 -4.83 113.70 116.05 1l2a s SER 60 Ca 0.18 3.02 0.06 0.00 0.48 0.00 0.00 55.95 59.69 1l2a s SER 60 Cb -0.11 -2.67 0.21 0.00 0.10 0.00 0.00 66.02 63.55 1l2a s SER 60 CO 0.10 -0.91 1.53 -0.65 0.98 0.00 0.00 173.24 174.28 1l2a h PRO 61 N 2.91 0.16 0.00 4.02 0.11 -1.98 -1.21 132.00 136.00 1l2a h PRO 61 Ca -0.51 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 65.41 1l2a h PRO 61 Cb 1.24 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1l2a h PRO 61 CO 0.64 0.78 -0.78 -0.44 -0.21 0.00 0.00 178.00 177.98 1l2a h ASP 62 N 0.11 0.00 0.00 -2.05 3.32 -2.00 -3.41 116.42 112.40 1l2a h ASP 62 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l2a h ASP 62 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1l2a h ASP 62 CO 0.10 0.28 0.00 -1.84 -1.72 0.00 0.00 179.24 176.06 1l2a n GLU 63 N -2.96 1.23 -2.69 3.56 0.00 -1.24 -5.06 120.64 113.48 1l2a n GLU 63 Ca -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.08 1l2a n GLU 63 Cb 0.67 -0.12 0.02 0.00 0.00 0.00 0.00 31.44 32.01 1l2a n GLU 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1l2a n GLY 64 N 0.18 0.47 3.78 -1.84 0.00 -0.46 -4.97 105.19 102.36 1l2a n GLY 64 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1l2a n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l2a s ILE 65 N -2.96 5.33 0.03 -0.61 1.01 -1.26 -4.76 121.20 117.97 1l2a s ILE 65 Ca 0.14 0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 1l2a s ILE 65 Cb -0.06 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 1l2a s ILE 65 CO 0.17 0.49 1.51 -2.16 0.00 0.00 0.00 174.94 174.95 1l2a s PRO 66 N -0.19 4.24 0.58 2.79 0.04 -1.26 0.36 135.00 141.56 1l2a s PRO 66 Ca 0.16 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 1l2a s PRO 66 Cb -0.13 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 1l2a s PRO 66 CO 0.05 -0.65 1.03 0.71 0.04 0.00 0.00 177.00 178.17 1l2a s TYR 67 N 2.53 3.26 0.27 0.56 2.02 -0.40 -4.47 117.35 121.12 1l2a s TYR 67 Ca 0.68 1.46 -0.01 0.00 -0.37 0.00 0.00 57.07 58.83 1l2a s TYR 67 Cb -0.35 -2.87 0.47 0.00 -0.40 0.00 0.00 41.96 38.81 1l2a s TYR 67 CO 0.29 -0.79 1.85 1.25 -1.57 0.00 0.00 175.55 176.59 1l2a h HIS 68 N 0.40 1.14 -3.13 2.71 -0.00 -1.07 -3.40 115.15 111.80 1l2a h HIS 68 Ca -0.46 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1l2a h HIS 68 Cb 1.20 -0.37 -0.11 0.00 -0.00 0.00 0.00 27.41 28.14 1l2a h HIS 68 CO 0.62 0.51 0.13 -1.54 -0.00 0.00 0.00 177.93 177.64 1l2a s SER 69 N -5.76 -0.42 0.07 3.26 1.04 -0.87 -1.81 113.70 109.21 1l2a s SER 69 Ca -0.12 -0.22 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 1l2a s SER 69 Cb 0.21 0.59 -0.15 0.00 0.10 0.00 0.00 66.02 66.77 1l2a s SER 69 CO 0.81 -1.00 1.65 0.40 0.98 0.00 0.00 173.24 176.07 1l2a h ILE 70 N 2.11 1.09 -4.24 -1.02 2.04 -1.63 -3.43 117.51 112.43 1l2a h ILE 70 Ca -0.31 -0.26 -0.51 0.00 1.00 0.00 0.00 64.86 64.78 1l2a h ILE 70 Cb 1.28 1.20 0.10 0.00 -0.74 0.00 0.00 36.82 38.66 1l2a h ILE 70 CO 0.38 0.07 0.36 -1.61 0.00 0.00 0.00 178.15 177.36 1l2a s GLU 71 N -5.78 2.81 -0.18 2.37 8.01 -1.26 -4.97 118.70 119.70 1l2a s GLU 71 Ca -0.14 1.26 0.10 0.00 0.01 0.00 0.00 54.97 56.20 1l2a s GLU 71 Cb 0.06 -1.96 -0.18 0.00 -4.31 0.00 0.00 34.13 27.73 1l2a s GLU 71 CO 0.67 -1.22 -0.02 0.25 0.01 0.00 0.00 175.26 174.94 1l2a n THR 72 N -2.64 1.17 -2.89 3.63 -2.24 -1.26 -4.33 114.28 105.71 1l2a n THR 72 Ca 0.09 -0.63 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1l2a n THR 72 Cb 0.53 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1l2a n THR 72 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1l2a s LEU 73 N -5.57 4.56 -0.28 3.22 2.96 -1.26 0.41 118.68 122.72 1l2a s LEU 73 Ca -0.15 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 52.43 1l2a s LEU 73 Cb 0.06 -2.40 0.08 0.00 0.50 0.00 0.00 46.19 44.43 1l2a s LEU 73 CO 0.62 -1.38 0.74 -0.51 -1.32 0.00 0.00 176.35 174.50 1l2a s ILE 74 N 3.80 0.00 -0.08 6.68 2.07 -1.26 -4.92 121.20 127.49 1l2a s ILE 74 Ca 0.21 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.43 1l2a s ILE 74 Cb -0.17 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.45 1l2a s ILE 74 CO 0.08 0.00 0.04 -0.69 -1.91 0.00 0.00 174.94 172.46 1l2a s VAL 75 N 0.86 0.13 0.00 4.00 1.01 -1.26 -2.96 120.40 122.18 1l2a s VAL 75 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1l2a s VAL 75 Cb -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1l2a s VAL 75 CO -0.08 0.14 0.00 -1.84 0.00 0.00 0.00 175.10 173.32 1l2a n GLU 76 N 5.22 0.00 0.00 2.72 0.28 -1.26 -5.03 120.64 122.57 1l2a n GLU 76 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1l2a n GLU 76 Cb 0.50 -0.09 0.00 0.00 1.43 0.00 0.00 31.44 33.27 1l2a n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1l2a n ALA 77 N -1.92 2.01 -1.70 -1.84 0.00 -1.26 -4.84 120.51 110.96 1l2a n ALA 77 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1l2a n ALA 77 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1l2a n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1l2a s PRO 78 N -1.72 3.42 0.00 0.00 0.04 -1.26 -4.93 135.00 130.56 1l2a s PRO 78 Ca 0.00 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1l2a s PRO 78 Cb 0.00 -2.05 0.25 0.00 0.04 0.00 0.00 34.50 32.74 1l2a s PRO 78 CO 0.00 -0.72 1.17 -0.40 0.04 0.00 0.00 177.00 177.10 1l2a n ASP 79 N -2.15 2.70 -3.77 6.66 5.68 -1.26 -4.41 116.55 120.00 1l2a n ASP 79 Ca 0.08 -1.91 -0.13 0.00 -0.50 0.00 0.00 54.79 52.33 1l2a n ASP 79 Cb 0.53 -0.18 -0.12 0.00 -1.14 0.00 0.00 41.12 40.22 1l2a n ASP 79 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1l2a s TYR 80 N -0.98 -0.31 0.17 2.11 5.04 -1.16 -4.57 117.35 117.66 1l2a s TYR 80 Ca 0.20 0.75 0.35 0.00 -2.44 0.00 0.00 57.07 55.93 1l2a s TYR 80 Cb 0.11 0.10 1.60 0.00 0.35 0.00 0.00 41.96 44.11 1l2a s TYR 80 CO 0.14 -0.16 2.04 0.78 -1.34 0.00 0.00 175.55 177.02 1l2a h GLY 81 N 5.91 0.00 -1.52 8.97 0.00 -0.21 -3.04 103.07 113.19 1l2a h GLY 81 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1l2a h GLY 81 CO 0.34 0.00 -0.00 1.42 0.00 0.00 0.00 176.54 178.30 1l2a n HIS 82 N -2.96 0.89 -1.34 5.60 8.25 -1.26 -2.06 115.22 122.34 1l2a n HIS 82 Ca -0.00 -0.92 -0.30 0.00 -0.26 0.00 0.00 57.72 56.23 1l2a n HIS 82 Cb 0.23 -0.31 0.11 0.00 1.12 0.00 0.00 29.99 31.13 1l2a n HIS 82 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1l2a s VAL 83 N -2.86 3.01 0.25 1.59 -7.23 -1.15 -3.28 120.40 110.74 1l2a s VAL 83 Ca 0.42 0.33 0.09 0.00 -1.81 0.00 0.00 61.98 61.00 1l2a s VAL 83 Cb 0.34 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1l2a s VAL 83 CO 0.08 -0.43 0.03 0.28 -0.31 0.00 0.00 175.10 174.75 1l2a s THR 84 N -3.00 3.66 0.12 5.32 -1.32 0.13 -1.33 115.64 119.22 1l2a s THR 84 Ca 0.62 -1.76 0.06 0.00 -1.21 0.00 0.00 61.69 59.40 1l2a s THR 84 Cb -0.16 -2.95 -0.04 0.00 -1.51 0.00 0.00 72.50 67.84 1l2a s THR 84 CO 0.56 -0.34 -0.15 0.42 -2.21 0.00 0.00 174.62 172.90 1l2a s THR 85 N -2.21 1.36 0.33 5.08 -4.23 -1.26 -1.43 115.64 113.28 1l2a s THR 85 Ca 0.31 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1l2a s THR 85 Cb -0.07 -1.49 0.29 0.00 1.34 0.00 0.00 72.50 72.56 1l2a s THR 85 CO 0.21 -0.36 1.92 0.77 -0.54 0.00 0.00 174.62 176.62 1l2a h SER 86 N 3.64 0.80 -0.62 3.99 4.64 -1.40 -2.31 113.55 122.29 1l2a h SER 86 Ca -0.41 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1l2a h SER 86 Cb 1.19 -0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 1l2a h SER 86 CO 0.48 0.50 -0.55 -0.08 -0.87 0.00 0.00 176.83 176.32 1l2a h GLU 87 N 0.91 -0.22 -0.56 4.77 4.81 -1.91 -0.03 114.58 122.34 1l2a h GLU 87 Ca 0.38 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.68 1l2a h GLU 87 Cb 0.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1l2a h GLU 87 CO -0.14 -0.15 0.37 0.00 -0.73 0.00 0.00 179.01 178.36 1l2a h ALA 88 N 0.12 1.82 -0.24 2.92 0.00 -1.80 -1.89 119.26 120.20 1l2a h ALA 88 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1l2a h ALA 88 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1l2a h ALA 88 CO -0.71 0.09 0.02 0.74 0.00 0.00 0.00 179.25 179.39 1l2a h PHE 89 N 0.55 0.45 -0.99 0.00 -1.00 -0.93 -0.83 116.94 114.19 1l2a h PHE 89 Ca 0.24 -0.07 0.05 0.00 2.81 0.00 0.00 57.97 61.00 1l2a h PHE 89 Cb 0.25 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.63 1l2a h PHE 89 CO -0.00 0.57 0.64 0.66 -1.61 0.00 0.00 178.31 178.57 1l2a h SER 90 N 0.20 1.05 -0.45 2.17 4.64 -0.28 -0.39 113.55 120.49 1l2a h SER 90 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1l2a h SER 90 Cb 0.38 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1l2a h SER 90 CO 0.01 0.69 0.06 1.88 -0.87 0.00 0.00 176.83 178.60 1l2a h TYR 91 N 1.20 0.86 -0.53 4.77 0.05 -1.34 -2.39 116.97 119.59 1l2a h TYR 91 Ca 0.41 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1l2a h TYR 91 Cb 0.09 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1l2a h TYR 91 CO -0.00 0.77 0.28 -0.92 -1.05 0.00 0.00 178.16 177.23 1l2a h TYR 92 N 0.78 0.75 -0.64 4.88 3.20 0.39 0.34 116.97 126.67 1l2a h TYR 92 Ca 0.16 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1l2a h TYR 92 Cb 0.39 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1l2a h TYR 92 CO 0.02 0.56 0.42 0.28 -1.64 0.00 0.00 178.16 177.80 1l2a h VAL 93 N 0.71 1.17 0.02 1.81 2.07 -1.10 -2.19 116.25 118.74 1l2a h VAL 93 Ca 0.19 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1l2a h VAL 93 Cb 0.08 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1l2a h VAL 93 CO -0.03 0.16 -0.01 -0.25 0.02 0.00 0.00 177.57 177.46 1l2a h TRP 94 N 0.86 -0.03 -0.83 1.57 2.91 -0.86 0.09 115.95 119.67 1l2a h TRP 94 Ca 0.23 -0.00 0.18 0.00 1.13 0.00 0.00 58.89 60.43 1l2a h TRP 94 Cb -0.09 0.01 -0.11 0.00 -0.51 0.00 0.00 29.16 28.46 1l2a h TRP 94 CO -0.03 0.11 0.33 1.25 -1.03 0.00 0.00 178.44 179.07 1l2a h LEU 95 N -0.16 0.27 -0.28 0.65 5.85 -0.90 -1.33 115.31 119.42 1l2a h LEU 95 Ca -0.00 0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.65 1l2a h LEU 95 Cb 0.15 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1l2a h LEU 95 CO 0.01 0.04 -0.86 -0.33 -0.34 0.00 0.00 178.44 176.95 1l2a h GLU 96 N 0.40 0.35 -0.26 1.25 4.39 -0.86 -2.13 114.58 117.73 1l2a h GLU 96 Ca 0.49 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 59.90 1l2a h GLU 96 Cb 0.85 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 1l2a h GLU 96 CO -0.48 1.02 -0.16 0.00 -1.16 0.00 0.00 179.01 178.23 1l2a h ALA 97 N 0.86 0.04 -0.05 3.43 0.00 -0.62 -1.56 119.26 121.36 1l2a h ALA 97 Ca -0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1l2a h ALA 97 Cb 1.47 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1l2a h ALA 97 CO 0.14 -0.57 -0.15 1.98 0.00 0.00 0.00 179.25 180.65 1l2a h MET 98 N -0.14 0.07 -0.20 0.00 1.85 -1.12 -1.97 114.93 113.42 1l2a h MET 98 Ca 0.14 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 59.06 1l2a h MET 98 Cb 0.35 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.38 1l2a h MET 98 CO -0.35 0.23 -0.48 -0.92 -0.40 0.00 0.00 176.91 174.99 1l2a h TYR 99 N 0.07 0.88 -0.99 1.39 3.20 -1.06 -1.92 116.97 118.54 1l2a h TYR 99 Ca 0.01 -0.33 0.01 0.00 3.14 0.00 0.00 58.73 61.56 1l2a h TYR 99 Cb 0.32 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 1l2a h TYR 99 CO 0.00 1.12 0.65 0.78 -1.64 0.00 0.00 178.16 179.07 1l2a h GLY 100 N 0.39 1.41 0.89 1.82 0.00 -1.05 -1.69 103.07 104.83 1l2a h GLY 100 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1l2a h GLY 100 CO 0.11 0.53 0.03 -0.57 0.00 0.00 0.00 176.54 176.63 1l2a h ASN 101 N 1.35 0.09 1.44 0.19 -0.00 -1.20 -0.18 115.58 117.27 1l2a h ASN 101 Ca 0.36 -0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 1l2a h ASN 101 Cb -0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 1l2a h ASN 101 CO -0.08 0.18 -0.11 -0.07 -0.00 0.00 0.00 177.43 177.36 1l2a h LEU 102 N -0.01 0.00 0.00 0.34 3.38 -1.26 -3.40 115.31 114.36 1l2a h LEU 102 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1l2a h LEU 102 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1l2a h LEU 102 CO -0.00 0.02 -0.92 0.41 0.09 0.00 0.00 178.44 178.03 1l2a n THR 103 N -2.35 0.00 0.00 0.22 -1.04 -0.65 -5.04 114.28 105.42 1l2a n THR 103 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1l2a n THR 103 Cb 0.45 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1l2a n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l2a n GLY 104 N 3.33 0.42 3.41 3.41 0.00 -0.09 -5.04 105.19 110.63 1l2a n GLY 104 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1l2a n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1l2a s ASN 105 N -2.65 5.60 0.00 1.61 3.04 -1.26 -5.00 114.94 116.28 1l2a s ASN 105 Ca 0.00 -0.72 0.21 0.00 0.04 0.00 0.00 52.86 52.39 1l2a s ASN 105 Cb 0.00 -2.00 0.36 0.00 -1.54 0.00 0.00 41.25 38.07 1l2a s ASN 105 CO 0.00 -0.27 1.32 0.79 -3.04 0.00 0.00 177.10 175.90 1l2a n TRP 106 N 4.98 0.42 0.13 0.43 7.02 -1.26 -3.77 117.44 125.39 1l2a n TRP 106 Ca -0.13 -0.24 -0.01 0.00 -1.02 0.00 0.00 57.50 56.10 1l2a n TRP 106 Cb 0.48 -0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.47 1l2a n TRP 106 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1l2a h SER 107 N 3.98 0.00 -1.07 -0.99 4.64 -1.94 -2.27 113.55 115.89 1l2a h SER 107 Ca 0.00 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.61 1l2a h SER 107 Cb 0.91 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.91 1l2a h SER 107 CO 0.00 0.65 0.71 1.23 -0.87 0.00 0.00 176.83 178.55 1l2a h GLY 108 N 2.47 1.00 0.83 -0.77 0.00 -1.91 0.13 103.07 104.82 1l2a h GLY 108 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 1l2a h GLY 108 CO 0.08 -0.13 -0.47 -2.08 0.00 0.00 0.00 176.54 173.95 1l2a h VAL 109 N 0.30 1.38 -0.15 4.60 2.07 -1.67 0.28 116.25 123.07 1l2a h VAL 109 Ca 0.60 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1l2a h VAL 109 Cb 1.69 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 1l2a h VAL 109 CO -0.25 0.54 0.07 -0.33 0.02 0.00 0.00 177.57 177.62 1l2a h GLU 110 N 0.05 0.21 -0.44 1.57 5.08 -1.54 -2.09 114.58 117.42 1l2a h GLU 110 Ca -0.03 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1l2a h GLU 110 Cb 1.12 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1l2a h GLU 110 CO 0.10 0.25 0.09 1.15 -1.00 0.00 0.00 179.01 179.59 1l2a h THR 111 N 0.12 0.77 -0.41 1.13 2.02 -0.70 0.14 112.91 115.97 1l2a h THR 111 Ca 0.05 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1l2a h THR 111 Cb 0.10 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1l2a h THR 111 CO -0.01 0.04 0.18 0.00 0.37 0.00 0.00 175.52 176.10 1l2a h ALA 112 N 1.34 0.54 -0.20 6.16 0.00 -0.84 -1.86 119.26 124.39 1l2a h ALA 112 Ca 0.22 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1l2a h ALA 112 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1l2a h ALA 112 CO -0.28 0.13 -0.37 2.35 0.00 0.00 0.00 179.25 181.07 1l2a h TRP 113 N 0.52 0.52 -0.09 0.00 2.91 -0.84 -1.84 115.95 117.14 1l2a h TRP 113 Ca 0.14 -0.14 0.02 0.00 1.13 0.00 0.00 58.89 60.04 1l2a h TRP 113 Cb 0.17 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.68 1l2a h TRP 113 CO -0.00 0.76 -0.05 -0.22 -1.03 0.00 0.00 178.44 177.89 1l2a h LYS 114 N 0.37 -0.04 -0.76 2.65 3.64 -0.43 0.11 116.57 122.11 1l2a h LYS 114 Ca 0.04 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1l2a h LYS 114 Cb 0.82 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1l2a h LYS 114 CO 0.07 -0.03 0.50 0.28 -2.27 0.00 0.00 179.45 178.00 1l2a h VAL 115 N -0.05 1.20 0.41 2.00 2.07 -1.10 0.17 116.25 120.94 1l2a h VAL 115 Ca 0.05 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1l2a h VAL 115 Cb 0.12 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1l2a h VAL 115 CO -0.12 0.19 -0.29 -0.03 0.02 0.00 0.00 177.57 177.34 1l2a h MET 116 N 1.03 -0.66 -0.33 1.57 1.85 -0.91 -2.51 114.93 114.97 1l2a h MET 116 Ca 0.28 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.40 1l2a h MET 116 Cb -0.12 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 1l2a h MET 116 CO -0.06 -0.44 0.14 1.49 -0.40 0.00 0.00 176.91 177.64 1l2a h GLU 117 N -0.68 0.46 0.00 0.39 4.81 -0.54 -1.18 114.58 117.84 1l2a h GLU 117 Ca -0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1l2a h GLU 117 Cb 0.58 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1l2a h GLU 117 CO 0.02 0.38 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.06 1l2a h ASP 118 N 0.46 0.00 0.00 1.04 3.32 -0.51 -3.40 116.42 117.33 1l2a h ASP 118 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1l2a h ASP 118 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1l2a h ASP 118 CO -0.01 0.17 -0.10 0.79 -1.72 0.00 0.00 179.24 178.37 1l2a n TRP 119 N -3.34 -0.94 0.54 4.55 7.02 -0.96 -4.91 117.44 119.40 1l2a n TRP 119 Ca 0.00 0.17 0.12 0.00 -1.02 0.00 0.00 57.50 56.76 1l2a n TRP 119 Cb 0.40 0.25 0.07 0.00 -2.42 0.00 0.00 31.31 29.61 1l2a n TRP 119 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 1l2a n ILE 120 N -3.37 0.25 -3.34 -0.99 3.06 -0.49 -4.65 119.36 109.83 1l2a n ILE 120 Ca 0.00 -0.27 -0.42 0.00 -2.50 0.00 0.00 62.75 59.56 1l2a n ILE 120 Cb 0.05 0.06 -0.09 0.00 0.54 0.00 0.00 39.64 40.20 1l2a n ILE 120 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1l2a s ILE 121 N -3.20 5.11 -0.20 9.51 1.01 -0.94 -1.77 121.20 130.72 1l2a s ILE 121 Ca 0.04 -0.14 -0.33 0.00 0.00 0.00 0.00 60.65 60.22 1l2a s ILE 121 Cb 0.14 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 1l2a s ILE 121 CO 0.77 -0.29 2.07 -2.65 0.00 0.00 0.00 174.94 174.84 1l2a n PRO 122 N 5.54 1.79 -1.09 2.79 -0.02 -1.26 -4.79 135.00 137.96 1l2a n PRO 122 Ca -0.08 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 1l2a n PRO 122 Cb 0.48 -2.75 0.17 0.00 -0.02 0.00 0.00 33.50 31.38 1l2a n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1l2a n ASP 123 N 8.99 -0.82 0.11 2.55 3.85 -1.26 -4.86 116.55 125.09 1l2a n ASP 123 Ca 0.30 -1.18 0.02 0.00 -0.71 0.00 0.00 54.79 53.22 1l2a n ASP 123 Cb 0.32 -0.74 0.37 0.00 -1.35 0.00 0.00 41.12 39.71 1l2a n ASP 123 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1l2a h SER 124 N -1.76 0.25 0.83 -1.12 4.64 -1.94 -1.87 113.55 112.59 1l2a h SER 124 Ca -0.31 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1l2a h SER 124 Cb 0.89 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1l2a h SER 124 CO 0.21 0.42 0.00 0.71 -0.87 0.00 0.00 176.83 177.30 1l2a h THR 125 N 0.25 0.00 -0.02 2.95 1.35 -2.02 -2.36 112.91 113.05 1l2a h THR 125 Ca 0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1l2a h THR 125 Cb 0.41 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1l2a h THR 125 CO 0.02 0.00 -0.21 -0.62 -0.25 0.00 0.00 175.52 174.47 1l2a n GLU 126 N -2.63 1.77 -2.82 4.72 1.02 -0.72 -4.49 120.64 117.49 1l2a n GLU 126 Ca 0.01 -1.43 -0.25 0.00 -0.02 0.00 0.00 57.16 55.47 1l2a n GLU 126 Cb 0.26 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1l2a n GLU 126 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1l2a n GLN 127 N 0.63 3.01 -2.04 3.49 6.02 -0.89 -4.93 117.38 122.67 1l2a n GLN 127 Ca 0.12 -4.56 -0.42 0.00 -0.01 0.00 0.00 57.00 52.13 1l2a n GLN 127 Cb 0.52 -2.15 -0.03 0.00 1.02 0.00 0.00 30.24 29.60 1l2a n GLN 127 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1l2a s PRO 128 N -3.39 4.25 0.00 -1.09 0.02 -1.26 -2.77 135.00 130.77 1l2a s PRO 128 Ca 0.47 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1l2a s PRO 128 Cb 0.33 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1l2a s PRO 128 CO -0.14 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1l2a n GLY 129 N 3.70 0.64 0.41 0.52 0.00 -1.26 -4.50 105.19 104.70 1l2a n GLY 129 Ca 0.13 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.39 1l2a n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1l2a h MET 130 N 1.64 0.00 0.00 1.61 4.05 -1.81 0.14 114.93 120.56 1l2a h MET 130 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1l2a h MET 130 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1l2a h MET 130 CO 0.00 0.00 0.00 0.66 0.23 0.00 0.00 176.91 177.80 1l2a h SER 131 N 0.00 0.00 0.13 1.39 4.64 -1.85 -2.09 113.55 115.77 1l2a h SER 131 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1l2a h SER 131 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1l2a h SER 131 CO -0.00 0.00 -0.06 -1.20 -0.87 0.00 0.00 176.83 174.69 1l2a n SER 132 N -2.79 0.81 -4.75 4.97 7.64 0.50 -4.94 113.62 115.06 1l2a n SER 132 Ca -0.01 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 1l2a n SER 132 Cb 0.13 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1l2a n SER 132 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l2a n TYR 133 N -0.52 2.82 -3.84 1.43 9.36 -0.79 -4.47 117.16 121.15 1l2a n TYR 133 Ca 0.18 0.43 -0.36 0.00 3.32 0.00 0.00 57.90 61.47 1l2a n TYR 133 Cb 0.28 -2.52 -0.13 0.00 -0.63 0.00 0.00 39.34 36.34 1l2a n TYR 133 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1l2a s ASN 134 N -0.03 5.08 0.64 2.98 2.47 -1.26 -4.96 114.94 119.86 1l2a s ASN 134 Ca 0.56 -1.45 0.32 0.00 0.42 0.00 0.00 52.86 52.71 1l2a s ASN 134 Cb -0.50 -1.78 1.72 0.00 -1.45 0.00 0.00 41.25 39.24 1l2a s ASN 134 CO 0.60 -0.35 2.01 1.55 -3.72 0.00 0.00 177.10 177.19 1l2a h PRO 135 N 8.06 0.00 0.00 0.43 0.13 -1.94 0.12 132.00 138.80 1l2a h PRO 135 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1l2a h PRO 135 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1l2a h PRO 135 CO 0.59 0.00 -0.60 0.09 -0.23 0.00 0.00 178.00 177.85 1l2a n ASN 136 N -3.19 0.70 -3.10 1.44 3.02 -1.26 -0.34 115.26 112.53 1l2a n ASN 136 Ca 0.00 0.14 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 1l2a n ASN 136 Cb 0.37 0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1l2a n ASN 136 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1l2a n SER 137 N -2.11 -0.54 -0.10 6.41 2.88 -0.02 -4.63 113.62 115.50 1l2a n SER 137 Ca 0.03 -2.82 0.02 0.00 -1.33 0.00 0.00 58.87 54.78 1l2a n SER 137 Cb 0.44 -0.08 0.33 0.00 -0.75 0.00 0.00 64.21 64.14 1l2a n SER 137 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1l2a h PRO 138 N 4.06 0.75 -2.83 -1.46 0.13 -1.62 -3.40 132.00 127.63 1l2a h PRO 138 Ca 0.03 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.16 1l2a h PRO 138 Cb 0.92 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1l2a h PRO 138 CO 0.43 0.51 0.38 0.00 -0.23 0.00 0.00 178.00 179.09 1l2a s ALA 139 N -5.62 -1.07 -0.20 -0.56 0.00 -1.26 -0.99 121.76 112.06 1l2a s ALA 139 Ca -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 1l2a s ALA 139 Cb 0.17 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1l2a s ALA 139 CO 0.76 -1.02 -0.06 0.99 0.00 0.00 0.00 175.76 176.43 1l2a s THR 140 N -2.38 3.28 0.62 0.00 2.01 -1.26 -4.89 115.64 113.02 1l2a s THR 140 Ca 0.17 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 1l2a s THR 140 Cb -0.04 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 1l2a s THR 140 CO 0.09 0.45 0.65 0.00 -0.69 0.00 0.00 174.62 175.12 1l2a n TYR 141 N 4.50 -0.30 -3.58 4.92 9.36 -1.26 -4.73 117.16 126.08 1l2a n TYR 141 Ca -0.18 0.42 -0.16 0.00 3.32 0.00 0.00 57.90 61.30 1l2a n TYR 141 Cb 0.51 -1.99 -0.06 0.00 -0.63 0.00 0.00 39.34 37.16 1l2a n TYR 141 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1l2a s ALA 142 N -1.71 -1.78 0.64 2.98 0.00 -1.26 -1.47 121.76 119.15 1l2a s ALA 142 Ca 0.70 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 54.16 1l2a s ALA 142 Cb -0.41 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1l2a s ALA 142 CO 0.53 -0.35 1.19 -0.51 0.00 0.00 0.00 175.76 176.61 1l2a s ASP 143 N -0.42 4.95 0.10 0.00 1.01 -1.26 -4.99 116.67 116.06 1l2a s ASP 143 Ca -0.05 2.30 -0.00 0.00 0.71 0.00 0.00 52.55 55.50 1l2a s ASP 143 Cb -0.02 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1l2a s ASP 143 CO 0.05 -1.75 0.26 -1.61 0.21 0.00 0.00 175.17 172.33 1l2a s GLU 144 N -3.61 3.48 0.17 8.23 2.02 -1.08 -4.86 118.70 123.04 1l2a s GLU 144 Ca 0.74 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 55.39 1l2a s GLU 144 Cb -0.28 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1l2a s GLU 144 CO 0.37 0.55 -0.12 0.71 0.02 0.00 0.00 175.26 176.80 1l2a s TYR 145 N -1.60 1.45 -1.72 1.61 1.51 -1.26 -4.70 117.35 112.64 1l2a s TYR 145 Ca 0.36 -0.68 0.21 0.00 -1.01 0.00 0.00 57.07 55.95 1l2a s TYR 145 Cb -0.12 -0.71 1.17 0.00 -0.11 0.00 0.00 41.96 42.19 1l2a s TYR 145 CO 0.28 0.20 1.67 0.39 -1.11 0.00 0.00 175.55 176.97 1l2a n GLU 146 N -0.26 0.49 -3.75 -0.62 4.71 -1.26 -4.03 120.64 115.91 1l2a n GLU 146 Ca -0.09 0.05 -0.13 0.00 -0.01 0.00 0.00 57.16 56.97 1l2a n GLU 146 Cb 0.60 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.45 1l2a n GLU 146 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1l2a s ASP 147 N -2.28 -0.24 0.50 1.62 2.15 -1.26 -4.47 116.67 112.69 1l2a s ASP 147 Ca 0.26 0.21 0.19 0.00 0.43 0.00 0.00 52.55 53.64 1l2a s ASP 147 Cb 0.14 0.39 1.25 0.00 -0.30 0.00 0.00 42.92 44.40 1l2a s ASP 147 CO 0.28 -0.40 2.04 -0.65 -0.17 0.00 0.00 175.17 176.27 1l2a h PRO 148 N 4.10 0.11 0.00 4.34 0.11 -1.85 -2.56 132.00 136.26 1l2a h PRO 148 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1l2a h PRO 148 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1l2a h PRO 148 CO 0.38 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 178.91 1l2a h SER 149 N 0.12 0.00 0.25 -2.05 4.64 -1.95 -0.39 113.55 114.16 1l2a h SER 149 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1l2a h SER 149 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1l2a h SER 149 CO -0.02 0.00 -0.06 -1.22 -0.87 0.00 0.00 176.83 174.66 1l2a n TYR 150 N -2.47 0.00 -3.97 4.77 4.02 -0.96 -4.90 117.16 113.65 1l2a n TYR 150 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1l2a n TYR 150 Cb 0.09 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.24 1l2a n TYR 150 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1l2a s TYR 151 N -2.31 3.42 0.55 -0.72 1.51 -0.16 -4.46 117.35 115.18 1l2a s TYR 151 Ca 0.35 0.23 -0.15 0.00 -1.01 0.00 0.00 57.07 56.48 1l2a s TYR 151 Cb 0.21 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.25 1l2a s TYR 151 CO 0.43 0.58 1.00 -1.25 -1.11 0.00 0.00 175.55 175.20 1l2a s PRO 152 N -2.25 3.81 0.09 -1.71 0.05 -1.21 -4.79 135.00 128.99 1l2a s PRO 152 Ca 0.30 0.92 -0.19 0.00 0.05 0.00 0.00 61.00 62.09 1l2a s PRO 152 Cb -0.13 -2.11 -0.07 0.00 0.05 0.00 0.00 34.50 32.24 1l2a s PRO 152 CO 0.23 -0.39 0.58 0.45 0.05 0.00 0.00 177.00 177.92 1l2a s SER 153 N -3.33 7.05 -0.13 6.66 0.15 0.22 -4.67 113.70 119.67 1l2a s SER 153 Ca 0.58 1.26 -0.19 0.00 0.70 0.00 0.00 55.95 58.31 1l2a s SER 153 Cb -0.11 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1l2a s SER 153 CO 0.37 0.24 0.51 -0.70 1.20 0.00 0.00 173.24 174.87 1l2a s GLU 154 N -1.24 4.33 0.27 5.44 2.12 -1.26 -0.48 118.70 127.88 1l2a s GLU 154 Ca 0.31 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.84 1l2a s GLU 154 Cb -0.19 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.65 1l2a s GLU 154 CO 0.19 0.09 1.30 -0.51 -0.54 0.00 0.00 175.26 175.80 1l2a s LEU 155 N 0.82 4.43 -0.66 2.70 1.43 -0.90 -4.45 118.68 122.05 1l2a s LEU 155 Ca 0.27 2.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.92 1l2a s LEU 155 Cb -0.15 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.60 1l2a s LEU 155 CO 0.11 -0.51 0.46 -0.54 0.23 0.00 0.00 176.35 176.10 1l2a s LYS 156 N -0.97 2.50 0.33 1.70 1.02 -0.54 -4.97 119.74 118.81 1l2a s LYS 156 Ca 0.53 -2.90 0.04 0.00 0.02 0.00 0.00 55.97 53.65 1l2a s LYS 156 Cb -0.38 -3.58 0.59 0.00 -0.52 0.00 0.00 37.83 33.94 1l2a s LYS 156 CO 0.45 -1.20 1.87 0.74 -0.92 0.00 0.00 175.35 176.29 1l2a h PHE 157 N 6.28 0.57 0.00 3.18 -1.00 -1.92 -3.38 116.94 120.66 1l2a h PHE 157 Ca 0.04 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1l2a h PHE 157 Cb 0.86 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1l2a h PHE 157 CO 0.65 0.55 -0.20 -0.25 -1.61 0.00 0.00 178.31 177.45 1l2a n ASP 158 N -4.28 0.15 0.00 2.17 8.00 -1.26 -4.76 116.55 116.57 1l2a n ASP 158 Ca 0.02 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1l2a n ASP 158 Cb 0.24 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1l2a n ASP 158 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1l2a n THR 159 N -0.06 0.43 -3.70 -3.53 5.66 -1.26 -4.89 114.28 106.92 1l2a n THR 159 Ca 0.00 -0.67 -0.30 0.00 -3.05 0.00 0.00 64.05 60.04 1l2a n THR 159 Cb 0.58 0.83 -0.15 0.00 -1.55 0.00 0.00 70.33 70.04 1l2a n THR 159 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1l2a s VAL 160 N -0.43 0.85 0.26 1.08 1.01 -1.26 -5.12 120.40 116.80 1l2a s VAL 160 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1l2a s VAL 160 Cb 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 1l2a s VAL 160 CO 0.00 -0.73 1.13 -0.60 0.00 0.00 0.00 175.10 174.91 1l2a s ARG 161 N 1.45 4.59 0.29 2.72 3.52 -1.26 -4.77 118.95 125.49 1l2a s ARG 161 Ca 0.11 1.84 0.08 0.00 -0.13 0.00 0.00 55.73 57.63 1l2a s ARG 161 Cb -0.18 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1l2a s ARG 161 CO -0.21 0.12 0.19 0.08 -0.81 0.00 0.00 175.30 174.67 1l2a s VAL 162 N -0.92 3.83 0.88 7.11 1.01 -1.26 -4.53 120.40 126.52 1l2a s VAL 162 Ca 0.46 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1l2a s VAL 162 Cb -0.33 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.01 1l2a s VAL 162 CO 0.41 -0.28 1.23 -0.83 0.00 0.00 0.00 175.10 175.64 1l2a s GLY 163 N -3.87 1.74 -0.08 4.51 0.00 -0.15 -4.79 107.32 104.67 1l2a s GLY 163 Ca 0.36 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1l2a s GLY 163 CO 0.24 -0.48 0.27 -0.56 0.00 0.00 0.00 173.10 172.58 1l2a s SER 164 N -4.79 6.55 -0.45 1.64 0.01 -0.50 -4.43 113.70 111.73 1l2a s SER 164 Ca 0.70 0.66 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 1l2a s SER 164 Cb -0.06 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1l2a s SER 164 CO 0.51 0.32 0.79 -0.62 0.41 0.00 0.00 173.24 174.65 1l2a s ASP 165 N -0.77 6.41 0.00 2.44 -1.08 0.54 -4.76 116.67 119.44 1l2a s ASP 165 Ca 0.18 -0.12 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 1l2a s ASP 165 Cb -0.14 -2.39 0.52 0.00 -1.46 0.00 0.00 42.92 39.46 1l2a s ASP 165 CO 0.07 -0.93 1.42 -0.81 0.52 0.00 0.00 175.17 175.44 1l2a n PRO 166 N 6.76 2.02 -0.01 4.34 -0.04 -1.26 -4.14 135.00 142.67 1l2a n PRO 166 Ca 0.02 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1l2a n PRO 166 Cb 0.48 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1l2a n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l2a n VAL 167 N 0.77 0.08 -0.03 0.52 0.31 -1.26 -4.78 118.33 113.94 1l2a n VAL 167 Ca 0.16 -0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1l2a n VAL 167 Cb 0.40 -0.11 -0.02 0.00 -0.91 0.00 0.00 33.84 33.19 1l2a n VAL 167 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1l2a h HIS 168 N 0.00 -0.65 -0.99 3.52 6.17 -1.99 -2.11 115.15 119.10 1l2a h HIS 168 Ca -0.03 0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.14 1l2a h HIS 168 Cb 0.57 0.32 -0.06 0.00 2.52 0.00 0.00 27.41 30.75 1l2a h HIS 168 CO 0.00 -0.32 0.64 -0.91 0.71 0.00 0.00 177.93 178.05 1l2a h ASN 169 N -0.28 1.03 -0.60 3.26 2.35 -1.86 0.23 115.58 119.71 1l2a h ASN 169 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1l2a h ASN 169 Cb 0.46 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1l2a h ASN 169 CO -0.35 0.67 0.38 -0.78 -1.65 0.00 0.00 177.43 175.71 1l2a h ASP 170 N 1.18 0.71 -0.01 5.81 3.58 -1.76 0.87 116.42 126.79 1l2a h ASP 170 Ca 0.42 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 1l2a h ASP 170 Cb 0.12 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1l2a h ASP 170 CO -0.16 0.54 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.66 1l2a h LEU 171 N 0.82 0.03 -0.39 2.28 3.38 -0.69 -3.07 115.31 117.67 1l2a h LEU 171 Ca 0.22 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1l2a h LEU 171 Cb -0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 1l2a h LEU 171 CO -0.04 0.50 -0.22 0.58 0.09 0.00 0.00 178.44 179.35 1l2a h VAL 172 N -0.44 0.38 -0.94 1.22 2.07 -0.90 0.18 116.25 117.83 1l2a h VAL 172 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 1l2a h VAL 172 Cb 0.49 0.38 -0.16 0.00 -1.52 0.00 0.00 31.29 30.48 1l2a h VAL 172 CO 0.00 0.00 0.16 0.28 0.02 0.00 0.00 177.57 178.03 1l2a h SER 173 N -0.16 -0.22 0.27 0.57 0.02 -0.81 0.19 113.55 113.42 1l2a h SER 173 Ca 0.19 0.24 -0.33 0.00 -0.84 0.00 0.00 61.79 61.05 1l2a h SER 173 Cb 0.45 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 1l2a h SER 173 CO -0.48 -0.28 -1.94 0.00 -1.14 0.00 0.00 176.83 172.99 1l2a n ALA 174 N -2.88 1.27 -0.00 3.77 0.00 -0.43 -4.68 120.51 117.55 1l2a n ALA 174 Ca 0.24 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1l2a n ALA 174 Cb 0.77 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1l2a n ALA 174 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1l2a n TYR 175 N -3.19 0.00 -0.81 0.00 4.01 0.51 -4.97 117.16 112.71 1l2a n TYR 175 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1l2a n TYR 175 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1l2a n TYR 175 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1l2a n GLY 176 N 0.78 -2.48 0.22 2.72 0.00 0.03 -4.69 105.19 101.76 1l2a n GLY 176 Ca 0.00 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.27 1l2a n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l2a h PRO 177 N 0.00 0.00 -6.90 1.61 0.13 -1.93 -3.34 132.00 121.57 1l2a h PRO 177 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1l2a h PRO 177 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1l2a h PRO 177 CO 0.00 0.00 0.06 -0.80 -0.23 0.00 0.00 178.00 177.03 1l2a s ASN 178 N -5.74 5.99 -0.13 1.44 0.01 -1.26 -4.67 114.94 110.57 1l2a s ASN 178 Ca 0.05 0.70 -0.17 0.00 -0.71 0.00 0.00 52.86 52.73 1l2a s ASN 178 Cb 0.07 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.76 1l2a s ASN 178 CO 0.60 -0.72 0.42 -0.32 -1.51 0.00 0.00 177.10 175.58 1l2a s MET 179 N -4.74 4.31 -0.88 -0.60 1.75 -1.26 -5.00 119.30 112.88 1l2a s MET 179 Ca 0.49 0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 55.27 1l2a s MET 179 Cb -0.10 -3.43 0.24 0.00 2.84 0.00 0.00 34.83 34.38 1l2a s MET 179 CO 0.43 0.20 0.90 0.98 -0.65 0.00 0.00 175.02 176.87 1l2a n TYR 180 N 3.59 3.76 -4.07 4.11 9.36 -1.26 -4.83 117.16 127.82 1l2a n TYR 180 Ca -0.09 -3.88 -0.07 0.00 3.32 0.00 0.00 57.90 57.19 1l2a n TYR 180 Cb 0.52 -1.03 -0.10 0.00 -0.63 0.00 0.00 39.34 38.10 1l2a n TYR 180 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1l2a s LEU 181 N -1.86 2.40 -0.05 2.98 1.43 -1.26 -4.48 118.68 117.84 1l2a s LEU 181 Ca 0.31 -0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 1l2a s LEU 181 Cb -0.00 0.26 -0.04 0.00 0.03 0.00 0.00 46.19 46.44 1l2a s LEU 181 CO -0.06 -0.61 0.63 -0.04 0.23 0.00 0.00 176.35 176.49 1l2a s MET 182 N -3.92 4.38 0.35 1.70 -1.94 -1.26 -4.29 119.30 114.32 1l2a s MET 182 Ca 0.07 0.76 -0.27 0.00 -1.71 0.00 0.00 55.69 54.54 1l2a s MET 182 Cb 0.08 -3.40 -0.09 0.00 2.01 0.00 0.00 34.83 33.42 1l2a s MET 182 CO -0.10 0.20 1.10 -1.58 -0.01 0.00 0.00 175.02 174.63 1l2a s HIS 183 N 0.38 3.34 0.24 -0.03 2.46 -0.73 -4.13 115.29 116.82 1l2a s HIS 183 Ca 0.33 1.64 0.12 0.00 0.47 0.00 0.00 55.06 57.62 1l2a s HIS 183 Cb -0.18 -3.26 0.36 0.00 -0.13 0.00 0.00 32.58 29.37 1l2a s HIS 183 CO 0.17 -0.78 1.60 0.11 -2.47 0.00 0.00 174.74 173.37 1l2a h TRP 184 N 3.08 0.00 -3.60 3.88 5.08 -1.16 -3.38 115.95 119.85 1l2a h TRP 184 Ca -0.48 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.02 1l2a h TRP 184 Cb 1.22 0.00 -0.32 0.00 -3.00 0.00 0.00 29.16 27.05 1l2a h TRP 184 CO 0.57 0.61 -0.80 -1.17 -1.28 0.00 0.00 178.44 176.37 1l2a s LEU 185 N -7.43 1.66 -0.09 0.11 2.96 -1.26 -1.39 118.68 113.24 1l2a s LEU 185 Ca -0.01 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1l2a s LEU 185 Cb 0.12 -0.68 0.05 0.00 0.50 0.00 0.00 46.19 46.17 1l2a s LEU 185 CO 0.75 0.04 0.18 -0.32 -1.32 0.00 0.00 176.35 175.68 1l2a s MET 186 N 0.49 0.07 -0.98 1.98 -2.45 -0.51 -2.79 119.30 115.11 1l2a s MET 186 Ca -0.09 0.54 -0.24 0.00 -1.25 0.00 0.00 55.69 54.65 1l2a s MET 186 Cb -0.13 -0.21 0.04 0.00 1.25 0.00 0.00 34.83 35.78 1l2a s MET 186 CO 0.02 -0.26 1.51 0.34 1.05 0.00 0.00 175.02 177.68 1l2a s ASP 187 N 1.95 6.29 0.12 1.11 -1.08 0.12 0.19 116.67 125.37 1l2a s ASP 187 Ca -0.01 -1.26 -0.22 0.00 -0.52 0.00 0.00 52.55 50.54 1l2a s ASP 187 Cb -0.12 -2.57 -0.07 0.00 -1.46 0.00 0.00 42.92 38.71 1l2a s ASP 187 CO -0.06 -1.70 1.70 0.58 0.52 0.00 0.00 175.17 176.21 1l2a h VAL 188 N 6.80 0.80 -0.55 1.11 2.07 -1.82 -1.54 116.25 123.12 1l2a h VAL 188 Ca 0.15 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.53 1l2a h VAL 188 Cb 1.01 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 1l2a h VAL 188 CO 1.39 0.00 0.13 0.47 0.02 0.00 0.00 177.57 179.58 1l2a n ASP 189 N -5.20 4.40 -3.82 0.57 8.00 -1.26 -2.73 116.55 116.52 1l2a n ASP 189 Ca -0.04 -3.21 -0.25 0.00 0.71 0.00 0.00 54.79 52.00 1l2a n ASP 189 Cb 0.12 -0.67 0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1l2a n ASP 189 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1l2a n ASN 190 N -0.29 -2.29 0.01 -2.24 5.15 -0.90 -4.78 115.26 109.93 1l2a n ASN 190 Ca 0.34 -0.84 -0.05 0.00 -0.60 0.00 0.00 54.58 53.43 1l2a n ASN 190 Cb 1.20 -3.84 0.17 0.00 -0.53 0.00 0.00 39.78 36.78 1l2a n ASN 190 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1l2a h TRP 191 N -1.93 0.57 0.00 1.20 7.01 -1.93 -2.55 115.95 118.33 1l2a h TRP 191 Ca -0.60 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.26 1l2a h TRP 191 Cb 1.37 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 1l2a h TRP 191 CO 0.51 0.75 0.00 1.88 -2.79 0.00 0.00 178.44 178.79 1l2a h TYR 192 N 0.43 0.00 0.00 2.65 0.05 -1.94 -3.48 116.97 114.68 1l2a h TYR 192 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1l2a h TYR 192 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1l2a h TYR 192 CO 0.03 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.55 1l2a n GLY 193 N 0.52 0.78 0.26 3.88 0.00 -0.96 -4.42 105.19 105.25 1l2a n GLY 193 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1l2a n GLY 193 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1l2a h PHE 194 N 0.00 0.00 -6.02 1.61 0.04 -1.92 -3.45 116.94 107.20 1l2a h PHE 194 Ca 0.00 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.33 1l2a h PHE 194 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 1l2a h PHE 194 CO 0.00 0.13 -0.00 0.41 -0.60 0.00 0.00 178.31 178.25 1l2a n GLY 195 N -0.72 1.48 3.71 -1.45 0.00 -1.26 -5.05 105.19 101.90 1l2a n GLY 195 Ca -0.02 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1l2a n GLY 195 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 196 N -2.50 4.09 0.00 2.61 2.01 -1.26 -4.85 115.64 115.74 1l2a s THR 196 Ca 0.58 1.49 0.00 0.00 0.31 0.00 0.00 61.69 64.07 1l2a s THR 196 Cb -0.04 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1l2a s THR 196 CO 0.37 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1l2a n GLY 197 N 3.25 0.38 0.00 4.40 0.00 -1.26 -1.23 105.19 110.73 1l2a n GLY 197 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1l2a n GLY 197 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l2a n THR 198 N 0.00 0.00 -1.71 2.61 -1.04 -1.26 -4.87 114.28 108.00 1l2a n THR 198 Ca 0.00 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.22 1l2a n THR 198 Cb 0.00 1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 69.66 1l2a n THR 198 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1l2a n ARG 199 N -0.25 2.57 -1.72 -2.82 1.74 -0.37 -3.96 116.66 111.85 1l2a n ARG 199 Ca 0.00 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.58 1l2a n ARG 199 Cb 0.04 -2.72 -0.01 0.00 -1.02 0.00 0.00 32.46 28.75 1l2a n ARG 199 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1l2a n ALA 200 N 3.20 1.97 -3.67 7.54 0.00 -1.11 -3.95 120.51 124.49 1l2a n ALA 200 Ca 0.14 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1l2a n ALA 200 Cb 0.34 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 17.25 1l2a n ALA 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1l2a s THR 201 N -0.33 0.33 -0.02 0.00 2.01 -0.63 -4.96 115.64 112.04 1l2a s THR 201 Ca 0.62 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.32 1l2a s THR 201 Cb -0.54 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 1l2a s THR 201 CO 0.53 0.18 1.98 0.49 -0.69 0.00 0.00 174.62 177.12 1l2a n PHE 202 N 4.15 2.41 -4.40 4.92 0.99 -1.26 0.14 117.46 124.41 1l2a n PHE 202 Ca -0.25 -0.27 -0.21 0.00 -0.00 0.00 0.00 57.45 56.72 1l2a n PHE 202 Cb 0.51 -2.77 -0.10 0.00 -1.00 0.00 0.00 39.48 36.12 1l2a n PHE 202 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 1l2a s ILE 203 N 4.79 1.84 0.22 4.37 -4.36 -1.12 -1.77 121.20 125.17 1l2a s ILE 203 Ca 0.91 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 1l2a s ILE 203 Cb -0.49 -2.26 -0.05 0.00 1.25 0.00 0.00 42.46 40.91 1l2a s ILE 203 CO 0.44 -0.44 0.04 0.21 0.24 0.00 0.00 174.94 175.43 1l2a s ASN 204 N -3.41 1.28 0.00 4.36 2.47 -0.69 -4.39 114.94 114.56 1l2a s ASN 204 Ca 0.27 -1.27 0.00 0.00 0.42 0.00 0.00 52.86 52.27 1l2a s ASN 204 Cb 0.00 0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.93 1l2a s ASN 204 CO 0.10 -0.64 0.00 0.35 -3.72 0.00 0.00 177.10 173.20 1l2a n THR 205 N -0.36 0.00 -1.65 -5.21 -2.24 -1.26 -2.18 114.28 101.37 1l2a n THR 205 Ca -0.03 0.00 -0.54 0.00 -2.27 0.00 0.00 64.05 61.20 1l2a n THR 205 Cb 0.65 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1l2a n THR 205 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1l2a n PHE 206 N -1.63 1.82 0.00 4.78 3.72 -1.26 -4.53 117.46 120.36 1l2a n PHE 206 Ca 0.00 0.55 0.00 0.00 -0.05 0.00 0.00 57.45 57.95 1l2a n PHE 206 Cb 0.00 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.13 1l2a n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1l2a n GLN 207 N 4.02 3.83 -2.12 -1.08 1.13 -1.26 -5.02 117.38 116.89 1l2a n GLN 207 Ca 0.22 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.99 1l2a n GLN 207 Cb 0.17 -0.38 0.02 0.00 0.11 0.00 0.00 30.24 30.16 1l2a n GLN 207 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1l2a n ARG 208 N -0.08 3.28 -0.00 -1.09 1.74 -1.26 -5.05 116.66 114.20 1l2a n ARG 208 Ca 0.00 -4.10 0.00 0.00 -0.77 0.00 0.00 57.85 52.98 1l2a n ARG 208 Cb 0.00 -2.27 -0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1l2a n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l2a n GLY 209 N -0.61 -2.22 0.37 -0.13 0.00 -1.26 -3.80 105.19 97.54 1l2a n GLY 209 Ca 0.46 -1.50 0.19 0.00 0.00 0.00 0.00 46.02 45.16 1l2a n GLY 209 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1l2a h GLU 210 N 0.00 0.00 -0.34 1.61 4.11 -1.70 -1.69 114.58 116.57 1l2a h GLU 210 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1l2a h GLU 210 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l2a h GLU 210 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 1l2a n GLN 211 N -3.52 2.96 -3.02 1.06 1.13 -1.26 -1.16 117.38 113.57 1l2a n GLN 211 Ca 0.04 -2.41 -0.44 0.00 -1.94 0.00 0.00 57.00 52.25 1l2a n GLN 211 Cb 0.52 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.32 1l2a n GLN 211 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1l2a s GLU 212 N -1.73 3.50 1.09 -1.09 2.12 -0.64 -4.71 118.70 117.24 1l2a s GLU 212 Ca 0.32 -1.78 -0.16 0.00 0.36 0.00 0.00 54.97 53.71 1l2a s GLU 212 Cb 0.22 -4.70 0.23 0.00 0.26 0.00 0.00 34.13 30.14 1l2a s GLU 212 CO 0.14 -1.66 1.12 -1.54 -0.54 0.00 0.00 175.26 172.78 1l2a s SER 213 N 3.35 1.91 0.52 -1.70 1.04 -1.26 -4.87 113.70 112.69 1l2a s SER 213 Ca 0.27 0.83 0.20 0.00 0.48 0.00 0.00 55.95 57.73 1l2a s SER 213 Cb -0.09 -1.24 1.31 0.00 0.10 0.00 0.00 66.02 66.10 1l2a s SER 213 CO -0.06 -3.53 2.07 0.74 0.98 0.00 0.00 173.24 173.44 1l2a h THR 214 N -2.17 0.87 0.00 2.02 2.02 -1.88 -1.37 112.91 112.40 1l2a h THR 214 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1l2a h THR 214 Cb 1.31 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1l2a h THR 214 CO 0.46 0.01 0.00 -0.50 0.37 0.00 0.00 175.52 175.85 1l2a h TRP 215 N 0.03 0.00 -0.36 3.16 4.06 -1.96 -3.34 115.95 117.53 1l2a h TRP 215 Ca 0.13 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.93 1l2a h TRP 215 Cb 0.50 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.57 1l2a h TRP 215 CO -0.00 0.00 -0.01 0.39 -3.56 0.00 0.00 178.44 175.26 1l2a n GLU 216 N -2.92 2.14 -3.58 0.49 1.02 -0.52 -4.63 120.64 112.65 1l2a n GLU 216 Ca 0.02 -3.08 -0.20 0.00 -0.02 0.00 0.00 57.16 53.87 1l2a n GLU 216 Cb 0.34 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1l2a n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1l2a s THR 217 N -3.14 3.05 -0.34 2.62 -4.23 -1.25 -4.71 115.64 107.64 1l2a s THR 217 Ca 0.45 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 1l2a s THR 217 Cb 0.39 -3.08 0.10 0.00 1.34 0.00 0.00 72.50 71.25 1l2a s THR 217 CO 0.03 -0.06 0.05 -0.63 -0.54 0.00 0.00 174.62 173.47 1l2a s ILE 218 N -2.39 2.17 0.30 2.99 1.01 -1.26 -5.04 121.20 118.97 1l2a s ILE 218 Ca 0.46 -2.28 -0.29 0.00 0.00 0.00 0.00 60.65 58.55 1l2a s ILE 218 Cb -0.05 -2.61 -0.13 0.00 0.01 0.00 0.00 42.46 39.68 1l2a s ILE 218 CO 0.28 -0.61 1.24 -2.65 0.00 0.00 0.00 174.94 173.20 1l2a n PRO 219 N 4.29 1.86 -3.73 2.79 -0.02 -1.26 -4.76 135.00 134.17 1l2a n PRO 219 Ca 0.04 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1l2a n PRO 219 Cb 0.42 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1l2a n PRO 219 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1l2a s HIS 220 N -0.82 -0.05 0.35 6.00 -3.43 -0.93 -5.02 115.29 111.39 1l2a s HIS 220 Ca 0.60 -0.30 -0.26 0.00 -0.80 0.00 0.00 55.06 54.29 1l2a s HIS 220 Cb -0.63 0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 30.55 1l2a s HIS 220 CO 0.58 -0.63 1.08 -1.25 -2.00 0.00 0.00 174.74 172.53 1l2a s PRO 221 N -3.77 4.35 0.14 -0.38 0.04 -1.26 -1.71 135.00 132.42 1l2a s PRO 221 Ca 0.03 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1l2a s PRO 221 Cb 0.03 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1l2a s PRO 221 CO -0.11 -0.01 1.41 0.77 0.04 0.00 0.00 177.00 179.10 1l2a h SER 222 N 3.06 0.84 -2.81 6.66 0.02 -1.64 -3.38 113.55 116.30 1l2a h SER 222 Ca -0.48 -0.48 -0.68 0.00 -0.84 0.00 0.00 61.79 59.32 1l2a h SER 222 Cb 1.22 -0.24 -0.18 0.00 0.14 0.00 0.00 62.40 63.33 1l2a h SER 222 CO 0.64 1.26 0.27 -0.63 -1.14 0.00 0.00 176.83 177.23 1l2a s ILE 223 N -3.98 4.65 -0.46 3.27 1.01 -1.26 -2.03 121.20 122.40 1l2a s ILE 223 Ca -0.09 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 1l2a s ILE 223 Cb 0.10 -4.56 0.03 0.00 0.01 0.00 0.00 42.46 38.04 1l2a s ILE 223 CO 0.88 -1.25 0.87 -0.70 0.00 0.00 0.00 174.94 174.74 1l2a s GLU 224 N 3.15 3.48 -0.12 2.79 2.56 0.15 -4.88 118.70 125.84 1l2a s GLU 224 Ca 0.15 0.06 0.16 0.00 0.00 0.00 0.00 54.97 55.34 1l2a s GLU 224 Cb -0.21 -3.93 0.32 0.00 2.00 0.00 0.00 34.13 32.30 1l2a s GLU 224 CO 0.07 -1.18 1.21 0.39 -0.56 0.00 0.00 175.26 175.19 1l2a n GLU 225 N 6.98 1.97 -0.78 4.30 1.02 -1.26 -2.07 120.64 130.80 1l2a n GLU 225 Ca 0.05 -2.50 -0.04 0.00 -0.02 0.00 0.00 57.16 54.65 1l2a n GLU 225 Cb 0.48 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1l2a n GLU 225 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1l2a n PHE 226 N -1.01 -0.36 0.31 -0.32 3.72 -1.26 -4.82 117.46 113.72 1l2a n PHE 226 Ca 0.15 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.72 1l2a n PHE 226 Cb 0.65 -1.41 0.74 0.00 -0.94 0.00 0.00 39.48 38.52 1l2a n PHE 226 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1l2a h LYS 227 N 0.00 0.00 -4.66 -1.08 6.56 -1.93 -3.42 116.57 112.04 1l2a h LYS 227 Ca -0.07 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.18 1l2a h LYS 227 Cb 0.38 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 31.91 1l2a h LYS 227 CO 0.11 0.00 -0.52 0.71 -2.06 0.00 0.00 179.45 177.69 1l2a s TYR 228 N -3.68 1.38 0.00 -1.35 1.51 -1.26 -5.03 117.35 108.92 1l2a s TYR 228 Ca 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 57.07 54.59 1l2a s TYR 228 Cb 0.10 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.38 1l2a s TYR 228 CO 0.46 -0.78 0.00 0.41 -1.11 0.00 0.00 175.55 174.53 1l2a n GLY 229 N -0.44 0.49 0.00 0.71 0.00 0.08 -4.00 105.19 102.04 1l2a n GLY 229 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1l2a n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2a n GLY 230 N 0.00 4.15 0.30 -0.02 0.00 -0.07 -0.54 105.19 109.00 1l2a n GLY 230 Ca 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.12 1l2a n GLY 230 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1l2a h PRO 231 N 0.00 0.32 -0.80 1.61 0.11 -1.91 -2.42 132.00 128.91 1l2a h PRO 231 Ca 0.00 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.54 1l2a h PRO 231 Cb 0.00 -0.07 -0.34 0.00 0.11 0.00 0.00 31.00 30.70 1l2a h PRO 231 CO 0.00 0.21 -0.08 0.09 -0.21 0.00 0.00 178.00 178.02 1l2a n ASN 232 N -4.49 5.66 0.00 -2.05 3.02 -1.26 -4.98 115.26 111.15 1l2a n ASN 232 Ca 0.02 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1l2a n ASN 232 Cb 0.11 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1l2a n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l2a n GLY 233 N -0.84 3.77 0.00 7.41 0.00 -0.91 -2.31 105.19 112.30 1l2a n GLY 233 Ca 0.50 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.77 1l2a n GLY 233 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1l2a n PHE 234 N 13.35 0.00 -0.32 1.61 3.01 -1.26 -0.89 117.46 132.95 1l2a n PHE 234 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 1l2a n PHE 234 Cb 0.00 -0.06 0.11 0.00 -0.01 0.00 0.00 39.48 39.52 1l2a n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1l2a h LEU 235 N 0.00 -0.88 0.00 4.37 3.38 -1.83 0.14 115.31 120.48 1l2a h LEU 235 Ca 0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1l2a h LEU 235 Cb 0.24 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1l2a h LEU 235 CO 0.00 -0.30 0.00 -0.90 0.09 0.00 0.00 178.44 177.33 1l2a n ASP 236 N -5.57 0.00 0.10 -0.43 5.75 -1.26 -1.38 116.55 113.76 1l2a n ASP 236 Ca 0.13 -1.47 -0.02 0.00 -0.01 0.00 0.00 54.79 53.42 1l2a n ASP 236 Cb 0.45 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 1l2a n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1l2a h LEU 237 N 0.00 0.00 0.00 -2.12 3.38 -1.32 -3.42 115.31 111.84 1l2a h LEU 237 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1l2a h LEU 237 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1l2a h LEU 237 CO 0.00 0.75 -1.19 0.49 0.09 0.00 0.00 178.44 178.58 1l2a n PHE 238 N -3.27 0.00 -4.53 1.13 3.72 -0.48 -3.29 117.46 110.74 1l2a n PHE 238 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 1l2a n PHE 238 Cb 0.84 -0.34 -0.16 0.00 -0.94 0.00 0.00 39.48 38.87 1l2a n PHE 238 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1l2a s THR 239 N -2.28 1.04 -0.16 4.37 -4.23 -0.76 -0.61 115.64 113.00 1l2a s THR 239 Ca -0.15 -0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 1l2a s THR 239 Cb 0.05 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 1l2a s THR 239 CO 0.20 0.33 0.66 -1.59 -0.54 0.00 0.00 174.62 173.68 1l2a s LYS 240 N 0.61 4.27 0.31 3.99 0.00 0.37 -4.29 119.74 125.00 1l2a s LYS 240 Ca -0.13 0.71 0.10 0.00 0.00 0.00 0.00 55.97 56.65 1l2a s LYS 240 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 37.83 34.08 1l2a s LYS 240 CO 0.03 -0.17 -0.12 0.34 0.00 0.00 0.00 175.35 175.43 1l2a s ASP 241 N 1.08 3.47 0.09 0.03 -1.08 -1.26 -2.11 116.67 116.89 1l2a s ASP 241 Ca 0.31 -1.15 -0.25 0.00 -0.52 0.00 0.00 52.55 50.95 1l2a s ASP 241 Cb -0.16 -0.29 -0.15 0.00 -1.46 0.00 0.00 42.92 40.85 1l2a s ASP 241 CO 0.12 -0.16 1.72 0.08 0.52 0.00 0.00 175.17 177.44 1l2a h ARG 242 N 2.16 -0.17 -5.77 4.34 0.11 -1.97 -3.46 114.38 109.61 1l2a h ARG 242 Ca -0.41 0.01 -0.61 0.00 0.10 0.00 0.00 59.98 59.07 1l2a h ARG 242 Cb 1.25 0.04 -0.13 0.00 1.11 0.00 0.00 29.97 32.23 1l2a h ARG 242 CO 0.67 -0.12 -0.64 -1.54 0.10 0.00 0.00 179.97 178.44 1l2a s SER 243 N -5.03 3.71 -0.04 0.08 1.04 -1.26 -5.16 113.70 107.03 1l2a s SER 243 Ca -0.14 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.03 1l2a s SER 243 Cb 0.06 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1l2a s SER 243 CO 0.65 -0.33 -0.07 -0.31 0.98 0.00 0.00 173.24 174.16 1l2a s TYR 244 N -2.69 0.96 0.04 5.02 1.51 -1.26 -5.12 117.35 115.81 1l2a s TYR 244 Ca 0.34 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1l2a s TYR 244 Cb 0.06 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 1l2a s TYR 244 CO 0.17 -0.18 -0.05 0.00 -1.11 0.00 0.00 175.55 174.38 1l2a s ALA 245 N 0.65 0.45 0.13 3.71 0.00 -1.26 -5.11 121.76 120.34 1l2a s ALA 245 Ca -0.10 -0.88 -0.33 0.00 0.00 0.00 0.00 51.96 50.65 1l2a s ALA 245 Cb -0.13 0.15 -0.12 0.00 0.00 0.00 0.00 23.12 23.01 1l2a s ALA 245 CO 0.01 -0.18 1.71 1.63 0.00 0.00 0.00 175.76 178.94 1l2a n LYS 246 N 1.00 2.45 -3.96 0.00 5.02 -1.26 -4.94 118.16 116.48 1l2a n LYS 246 Ca -0.20 0.89 -0.09 0.00 -2.02 0.00 0.00 58.31 56.89 1l2a n LYS 246 Cb 0.57 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.81 1l2a n LYS 246 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1l2a s GLN 247 N 1.82 1.43 0.14 1.97 -2.07 -0.88 -0.48 119.66 121.59 1l2a s GLN 247 Ca 0.80 -1.19 0.10 0.00 -1.82 0.00 0.00 55.36 53.26 1l2a s GLN 247 Cb -0.59 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 1l2a s GLN 247 CO 0.38 -0.58 -0.24 1.67 -1.32 0.00 0.00 175.29 175.19 1l2a s TRP 248 N -3.99 2.15 -0.16 9.60 1.48 0.23 0.33 118.94 128.58 1l2a s TRP 248 Ca 0.20 -0.39 -0.18 0.00 -1.06 0.00 0.00 56.10 54.67 1l2a s TRP 248 Cb 0.00 -1.14 0.05 0.00 -1.16 0.00 0.00 33.47 31.22 1l2a s TRP 248 CO 0.05 0.34 0.49 -0.98 -4.06 0.00 0.00 176.95 172.80 1l2a s ARG 249 N -2.19 0.62 0.07 3.25 3.03 -0.86 -0.90 118.95 121.97 1l2a s ARG 249 Ca 0.14 0.58 0.07 0.00 2.03 0.00 0.00 55.73 58.54 1l2a s ARG 249 Cb -0.09 0.30 -0.03 0.00 -1.03 0.00 0.00 34.95 34.10 1l2a s ARG 249 CO 0.06 -0.10 -0.18 0.71 -1.13 0.00 0.00 175.30 174.67 1l2a s TYR 250 N 0.02 1.53 -0.07 5.89 2.02 -0.42 -4.74 117.35 121.58 1l2a s TYR 250 Ca -0.02 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1l2a s TYR 250 Cb -0.03 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.67 1l2a s TYR 250 CO 0.02 0.12 -0.15 0.99 -1.57 0.00 0.00 175.55 174.95 1l2a s THR 251 N -1.07 1.38 0.39 -0.71 2.01 -1.26 -1.90 115.64 114.47 1l2a s THR 251 Ca 0.03 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1l2a s THR 251 Cb -0.09 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1l2a s THR 251 CO 0.03 0.41 0.62 0.54 -0.69 0.00 0.00 174.62 175.53 1l2a s ASN 252 N 0.54 6.29 -0.35 3.53 4.22 -0.50 -0.55 114.94 128.11 1l2a s ASN 252 Ca -0.15 0.60 0.01 0.00 -2.14 0.00 0.00 52.86 51.19 1l2a s ASN 252 Cb -0.16 -2.10 0.09 0.00 1.28 0.00 0.00 41.25 40.36 1l2a s ASN 252 CO 0.05 -0.38 0.07 0.00 -2.04 0.00 0.00 177.10 174.80 1l2a s ALA 253 N -2.44 2.92 0.19 3.54 0.00 -1.26 -4.07 121.76 120.64 1l2a s ALA 253 Ca 0.42 -2.36 0.35 0.00 0.00 0.00 0.00 51.96 50.37 1l2a s ALA 253 Cb -0.10 -2.04 1.66 0.00 0.00 0.00 0.00 23.12 22.64 1l2a s ALA 253 CO 0.39 -1.62 2.05 -1.00 0.00 0.00 0.00 175.76 175.58 1l2a h PRO 254 N 7.79 0.00 0.00 0.00 0.13 -1.84 -1.16 132.00 136.93 1l2a h PRO 254 Ca -0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1l2a h PRO 254 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1l2a h PRO 254 CO 0.56 0.00 -0.24 0.38 -0.23 0.00 0.00 178.00 178.47 1l2a h ASP 255 N 0.00 0.00 0.11 1.44 2.03 -1.92 -1.00 116.42 117.08 1l2a h ASP 255 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1l2a h ASP 255 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1l2a h ASP 255 CO 0.00 0.24 -0.05 0.00 -1.03 0.00 0.00 179.24 178.40 1l2a h ALA 256 N 1.76 -0.15 -0.68 4.15 0.00 -1.54 -1.03 119.26 121.76 1l2a h ALA 256 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1l2a h ALA 256 Cb 0.44 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1l2a h ALA 256 CO 0.03 -0.57 0.45 0.93 0.00 0.00 0.00 179.25 180.09 1l2a h GLU 257 N -0.18 0.90 0.26 0.00 3.07 -1.57 -1.19 114.58 115.86 1l2a h GLU 257 Ca -0.02 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1l2a h GLU 257 Cb 0.15 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1l2a h GLU 257 CO 0.03 0.60 -0.12 0.78 -1.40 0.00 0.00 179.01 178.89 1l2a h GLY 258 N 0.93 -0.36 0.76 -3.84 0.00 -0.90 -1.17 103.07 98.49 1l2a h GLY 258 Ca 0.25 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.76 1l2a h GLY 258 CO -0.05 -0.13 0.33 -0.09 0.00 0.00 0.00 176.54 176.60 1l2a h ARG 259 N -0.49 0.62 -0.70 4.80 2.43 -0.99 -0.93 114.38 119.12 1l2a h ARG 259 Ca -0.04 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1l2a h ARG 259 Cb 0.37 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1l2a h ARG 259 CO 0.06 0.41 0.22 0.00 -1.51 0.00 0.00 179.97 179.15 1l2a h ALA 260 N 1.30 0.92 -0.54 2.80 0.00 -1.00 0.37 119.26 123.10 1l2a h ALA 260 Ca 0.26 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1l2a h ALA 260 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1l2a h ALA 260 CO -0.15 0.59 -0.09 0.82 0.00 0.00 0.00 179.25 180.43 1l2a h ILE 261 N 1.03 1.27 -0.32 0.00 2.04 -1.00 -1.70 117.51 118.83 1l2a h ILE 261 Ca 0.23 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1l2a h ILE 261 Cb 0.30 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1l2a h ILE 261 CO -0.01 0.44 0.16 -0.61 0.00 0.00 0.00 178.15 178.13 1l2a h GLN 262 N 0.89 0.45 -0.96 2.37 4.15 -0.72 -0.59 115.11 120.69 1l2a h GLN 262 Ca 0.14 -0.06 0.17 0.00 0.77 0.00 0.00 58.65 59.68 1l2a h GLN 262 Cb 0.65 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 1l2a h GLN 262 CO 0.04 0.40 0.57 0.00 -1.93 0.00 0.00 178.83 177.92 1l2a h ALA 263 N 1.03 1.55 0.00 3.38 0.00 -0.13 -2.29 119.26 122.80 1l2a h ALA 263 Ca 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1l2a h ALA 263 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1l2a h ALA 263 CO -0.02 -0.04 -0.46 0.28 0.00 0.00 0.00 179.25 179.02 1l2a h VAL 264 N 0.75 0.96 -0.64 0.00 2.07 -0.28 -1.15 116.25 117.95 1l2a h VAL 264 Ca 0.54 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 66.22 1l2a h VAL 264 Cb 0.80 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1l2a h VAL 264 CO -0.37 0.45 0.43 0.22 0.02 0.00 0.00 177.57 178.32 1l2a h TYR 265 N 0.00 0.81 -0.14 1.57 3.20 -0.56 -0.34 116.97 121.51 1l2a h TYR 265 Ca -0.00 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 1l2a h TYR 265 Cb 1.09 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 39.10 1l2a h TYR 265 CO 0.00 0.51 -0.80 -1.49 -1.64 0.00 0.00 178.16 174.74 1l2a h TRP 266 N 0.87 1.04 -0.48 -3.82 4.06 -1.40 -0.98 115.95 115.23 1l2a h TRP 266 Ca 0.24 -0.47 0.08 0.00 2.06 0.00 0.00 58.89 60.80 1l2a h TRP 266 Cb -0.09 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 27.84 1l2a h TRP 266 CO -0.03 1.30 0.07 0.00 -3.56 0.00 0.00 178.44 176.22 1l2a h ALA 267 N 0.57 0.52 -0.46 1.49 0.00 -1.10 0.33 119.26 120.60 1l2a h ALA 267 Ca -0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1l2a h ALA 267 Cb 1.43 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1l2a h ALA 267 CO 0.16 -0.33 0.09 -0.97 0.00 0.00 0.00 179.25 178.20 1l2a h ASN 268 N 0.20 0.72 -0.26 0.00 -0.73 -0.88 0.13 115.58 114.76 1l2a h ASN 268 Ca 0.24 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1l2a h ASN 268 Cb 0.33 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 1l2a h ASN 268 CO -0.34 0.79 0.13 0.50 -0.37 0.00 0.00 177.43 178.14 1l2a h LYS 269 N 0.63 0.37 -0.16 6.67 3.64 -0.76 -2.20 116.57 124.76 1l2a h LYS 269 Ca 0.14 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1l2a h LYS 269 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1l2a h LYS 269 CO 0.01 0.36 -0.38 -1.49 -2.27 0.00 0.00 179.45 175.68 1l2a h TRP 270 N 0.29 0.70 -0.94 1.91 6.55 -0.27 -2.57 115.95 121.63 1l2a h TRP 270 Ca 0.09 -0.26 0.06 0.00 0.95 0.00 0.00 58.89 59.72 1l2a h TRP 270 Cb 0.11 -0.13 -0.06 0.00 -0.86 0.00 0.00 29.16 28.22 1l2a h TRP 270 CO -0.02 1.01 0.60 0.00 -1.05 0.00 0.00 178.44 178.97 1l2a h ALA 271 N 0.56 1.28 -0.18 1.49 0.00 -0.77 -3.03 119.26 118.60 1l2a h ALA 271 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1l2a h ALA 271 Cb 0.99 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1l2a h ALA 271 CO 0.08 0.38 -0.56 0.87 0.00 0.00 0.00 179.25 180.03 1l2a h LYS 272 N 1.10 0.56 0.00 0.00 1.57 -1.34 -1.23 116.57 117.23 1l2a h LYS 272 Ca 0.40 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1l2a h LYS 272 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1l2a h LYS 272 CO -0.16 0.97 0.00 0.93 -0.57 0.00 0.00 179.45 180.61 1l2a h GLU 273 N 0.43 0.00 -0.50 3.15 5.08 -1.34 -1.57 114.58 119.82 1l2a h GLU 273 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1l2a h GLU 273 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1l2a h GLU 273 CO 0.11 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 1l2a n GLN 274 N -2.94 2.60 -1.33 2.33 6.02 -0.74 -4.96 117.38 118.35 1l2a n GLN 274 Ca -0.03 -2.32 -0.12 0.00 -0.01 0.00 0.00 57.00 54.53 1l2a n GLN 274 Cb 0.06 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 1l2a n GLN 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1l2a n GLY 275 N 1.23 1.16 0.37 1.08 0.00 -0.59 -4.86 105.19 103.58 1l2a n GLY 275 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1l2a n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l2a n LYS 276 N -1.51 2.54 -0.28 1.61 5.02 -0.54 -4.78 118.16 120.22 1l2a n LYS 276 Ca -0.12 -1.72 0.27 0.00 -2.02 0.00 0.00 58.31 54.73 1l2a n LYS 276 Cb 0.52 -1.16 0.47 0.00 -0.02 0.00 0.00 35.03 34.85 1l2a n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l2a n GLY 277 N 0.15 -0.60 0.42 0.72 0.00 -1.09 -0.21 105.19 104.59 1l2a n GLY 277 Ca 0.07 0.61 0.24 0.00 0.00 0.00 0.00 46.02 46.94 1l2a n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1l2a h SER 278 N 0.00 0.08 0.72 1.61 4.64 -1.92 -2.39 113.55 116.28 1l2a h SER 278 Ca 0.66 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1l2a h SER 278 Cb 1.87 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1l2a h SER 278 CO -0.52 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.47 1l2a n ALA 279 N -2.65 1.75 -0.14 5.18 0.00 0.70 -3.23 120.51 122.11 1l2a n ALA 279 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1l2a n ALA 279 Cb 0.79 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1l2a n ALA 279 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1l2a n VAL 280 N -1.92 0.00 -0.19 0.00 0.24 -0.92 -4.75 118.33 110.79 1l2a n VAL 280 Ca 0.03 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.34 61.91 1l2a n VAL 280 Cb 0.23 1.14 0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1l2a n VAL 280 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l2a h ALA 281 N 0.00 0.45 -0.08 2.33 0.00 -1.48 0.00 119.26 120.48 1l2a h ALA 281 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1l2a h ALA 281 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1l2a h ALA 281 CO 0.00 -0.42 -0.46 0.66 0.00 0.00 0.00 179.25 179.03 1l2a h SER 282 N 0.04 0.20 -0.53 0.00 4.64 -1.89 -1.77 113.55 114.25 1l2a h SER 282 Ca 0.28 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1l2a h SER 282 Cb 0.44 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1l2a h SER 282 CO -0.54 0.64 0.13 0.58 -0.87 0.00 0.00 176.83 176.77 1l2a h VAL 283 N 0.16 1.24 -0.44 0.95 2.07 -1.51 -2.15 116.25 116.57 1l2a h VAL 283 Ca 0.01 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1l2a h VAL 283 Cb 0.87 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1l2a h VAL 283 CO 0.07 0.32 0.15 0.58 0.02 0.00 0.00 177.57 178.71 1l2a h VAL 284 N 0.86 1.22 -0.56 2.57 2.07 -0.45 -0.51 116.25 121.44 1l2a h VAL 284 Ca 0.19 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1l2a h VAL 284 Cb 0.32 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1l2a h VAL 284 CO -0.00 0.25 0.25 -1.28 0.02 0.00 0.00 177.57 176.81 1l2a h SER 285 N 0.57 0.72 -0.19 0.57 0.87 -1.24 -0.85 113.55 114.00 1l2a h SER 285 Ca 0.14 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.44 1l2a h SER 285 Cb 0.24 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1l2a h SER 285 CO -0.01 0.63 -0.58 0.11 -0.53 0.00 0.00 176.83 176.45 1l2a h LYS 286 N 0.79 0.79 -0.68 2.24 1.57 -0.97 -2.57 116.57 117.74 1l2a h LYS 286 Ca 0.19 -0.52 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1l2a h LYS 286 Cb 0.12 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1l2a h LYS 286 CO -0.02 1.15 0.28 0.00 -0.57 0.00 0.00 179.45 180.29 1l2a h ALA 287 N 0.74 1.21 -0.27 3.86 0.00 -0.90 -0.54 119.26 123.36 1l2a h ALA 287 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1l2a h ALA 287 Cb 1.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1l2a h ALA 287 CO 0.12 0.58 0.17 0.00 0.00 0.00 0.00 179.25 180.12 1l2a h ALA 288 N 1.33 0.34 0.15 0.00 0.00 -1.06 0.16 119.26 120.18 1l2a h ALA 288 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1l2a h ALA 288 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1l2a h ALA 288 CO -0.02 -0.17 -0.27 -0.22 0.00 0.00 0.00 179.25 178.57 1l2a h LYS 289 N 0.34 -0.48 -0.96 0.00 3.64 -1.24 -1.42 116.57 116.46 1l2a h LYS 289 Ca 0.10 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.69 1l2a h LYS 289 Cb -0.00 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.82 1l2a h LYS 289 CO -0.02 -0.32 0.55 1.98 -2.27 0.00 0.00 179.45 179.37 1l2a h MET 290 N -0.50 0.67 -0.71 1.90 4.05 -0.81 -1.01 114.93 118.52 1l2a h MET 290 Ca 0.02 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1l2a h MET 290 Cb 0.51 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 1l2a h MET 290 CO -0.13 0.44 0.37 0.78 0.23 0.00 0.00 176.91 178.60 1l2a h GLY 291 N 0.69 1.08 0.97 1.39 0.00 -0.14 -2.38 103.07 104.68 1l2a h GLY 291 Ca 0.56 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1l2a h GLY 291 CO -0.40 0.49 0.34 -1.80 0.00 0.00 0.00 176.54 175.17 1l2a h ASP 292 N 0.99 0.58 0.65 0.19 1.82 -0.15 -2.84 116.42 117.66 1l2a h ASP 292 Ca 0.25 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1l2a h ASP 292 Cb 0.08 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 1l2a h ASP 292 CO -0.04 0.41 -0.12 -0.26 -1.61 0.00 0.00 179.24 177.63 1l2a h PHE 293 N 0.69 0.00 0.00 0.28 -1.00 -0.96 -2.34 116.94 113.60 1l2a h PHE 293 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1l2a h PHE 293 Cb -0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1l2a h PHE 293 CO -0.05 0.12 0.00 -0.11 -1.61 0.00 0.00 178.31 176.67 1l2a n LEU 294 N -3.40 0.00 0.28 1.54 7.94 -0.93 -1.71 117.00 120.72 1l2a n LEU 294 Ca -0.01 0.46 0.14 0.00 -1.11 0.00 0.00 56.01 55.49 1l2a n LEU 294 Cb 0.30 -0.46 0.84 0.00 0.53 0.00 0.00 43.42 44.63 1l2a n LEU 294 CO 0.30 -0.30 1.09 0.03 -1.11 0.00 0.00 177.39 177.39 1l2a h ARG 295 N 0.00 0.00 -0.65 1.96 3.08 -1.53 -1.79 114.38 115.45 1l2a h ARG 295 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1l2a h ARG 295 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1l2a h ARG 295 CO 0.00 0.03 0.43 -0.91 -1.07 0.00 0.00 179.97 178.45 1l2a h ASN 296 N 0.00 0.39 0.15 7.04 2.35 -1.57 -1.36 115.58 122.58 1l2a h ASN 296 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1l2a h ASN 296 Cb 0.07 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1l2a h ASN 296 CO 0.00 0.23 0.00 0.47 -1.65 0.00 0.00 177.43 176.48 1l2a n ASP 297 N -4.47 0.00 -0.67 5.81 8.00 -0.67 -3.58 116.55 120.96 1l2a n ASP 297 Ca 0.11 -0.51 0.09 0.00 0.71 0.00 0.00 54.79 55.19 1l2a n ASP 297 Cb 0.40 -0.10 0.28 0.00 -0.02 0.00 0.00 41.12 41.69 1l2a n ASP 297 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1l2a n MET 298 N -1.10 1.86 -4.80 -1.24 2.81 -0.51 -1.65 117.12 112.48 1l2a n MET 298 Ca 0.16 -1.32 -0.31 0.00 -1.81 0.00 0.00 57.70 54.42 1l2a n MET 298 Cb 0.12 -1.37 -0.13 0.00 -0.71 0.00 0.00 33.22 31.13 1l2a n MET 298 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1l2a s PHE 299 N -1.64 2.56 0.46 2.03 0.40 -1.24 -1.63 117.98 118.93 1l2a s PHE 299 Ca 0.30 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.17 1l2a s PHE 299 Cb 0.16 -1.51 -0.12 0.00 0.51 0.00 0.00 43.02 42.06 1l2a s PHE 299 CO 0.23 0.20 0.41 -3.47 0.70 0.00 0.00 175.22 173.29 1l2a n ASP 300 N 1.85 -1.47 -0.23 1.36 2.03 -0.58 -1.08 116.55 118.43 1l2a n ASP 300 Ca -0.16 0.83 -0.02 0.00 0.52 0.00 0.00 54.79 55.96 1l2a n ASP 300 Cb 0.52 -1.07 0.05 0.00 -0.72 0.00 0.00 41.12 39.90 1l2a n ASP 300 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1l2a h LYS 301 N 0.53 -0.07 -0.23 -0.67 3.64 -1.78 -2.75 116.57 115.25 1l2a h LYS 301 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1l2a h LYS 301 Cb 1.41 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1l2a h LYS 301 CO 0.49 -0.05 0.00 0.66 -2.27 0.00 0.00 179.45 178.28 1l2a n TYR 302 N -5.46 0.72 -3.02 1.91 4.01 -1.26 -2.42 117.16 111.64 1l2a n TYR 302 Ca 0.07 -0.83 -0.20 0.00 -0.16 0.00 0.00 57.90 56.77 1l2a n TYR 302 Cb 0.36 -0.25 0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1l2a n TYR 302 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1l2a n PHE 303 N -0.51 -1.90 -2.11 -0.72 3.01 -1.04 -0.98 117.46 113.21 1l2a n PHE 303 Ca 0.19 0.54 -0.32 0.00 1.01 0.00 0.00 57.45 58.86 1l2a n PHE 303 Cb 0.78 -4.25 0.00 0.00 -0.01 0.00 0.00 39.48 35.99 1l2a n PHE 303 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1l2a s MET 304 N -5.67 3.46 0.45 -1.08 -1.94 -1.26 -1.54 119.30 111.71 1l2a s MET 304 Ca 0.31 1.13 -0.25 0.00 -1.71 0.00 0.00 55.69 55.17 1l2a s MET 304 Cb -0.14 -2.06 -0.09 0.00 2.01 0.00 0.00 34.83 34.56 1l2a s MET 304 CO 0.38 -0.69 1.27 1.63 -0.01 0.00 0.00 175.02 177.60 1l2a n LYS 305 N -1.98 1.86 -2.24 2.03 5.02 -0.06 -4.30 118.16 118.49 1l2a n LYS 305 Ca 0.08 0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1l2a n LYS 305 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1l2a n LYS 305 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1l2a s ILE 306 N -1.23 3.68 0.00 -0.18 -1.09 -0.03 -3.20 121.20 119.16 1l2a s ILE 306 Ca 0.63 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 1l2a s ILE 306 Cb -0.49 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1l2a s ILE 306 CO 0.56 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 1l2a n GLY 307 N 3.57 0.77 0.35 6.18 0.00 -1.26 -4.90 105.19 109.90 1l2a n GLY 307 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1l2a n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a h ALA 308 N 0.00 2.00 -4.50 4.61 0.00 -1.85 -3.46 119.26 116.06 1l2a h ALA 308 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1l2a h ALA 308 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1l2a h ALA 308 CO 0.00 -0.13 -0.37 1.04 0.00 0.00 0.00 179.25 179.79 1l2a n GLN 309 N -4.47 -2.74 -3.83 0.00 6.02 -1.26 -4.87 117.38 106.22 1l2a n GLN 309 Ca 0.09 0.51 -0.06 0.00 -0.01 0.00 0.00 57.00 57.53 1l2a n GLN 309 Cb 0.36 -5.14 0.01 0.00 1.02 0.00 0.00 30.24 26.49 1l2a n GLN 309 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1l2a s ASP 310 N -2.27 -0.05 -0.39 1.08 -1.08 -1.19 -4.14 116.67 108.63 1l2a s ASP 310 Ca 0.14 -0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 51.35 1l2a s ASP 310 Cb -0.07 0.66 0.22 0.00 -1.46 0.00 0.00 42.92 42.26 1l2a s ASP 310 CO 0.17 -1.28 2.15 0.29 0.52 0.00 0.00 175.17 177.02 1l2a n LYS 311 N -0.57 2.02 -2.44 4.34 5.02 -1.26 -4.85 118.16 120.42 1l2a n LYS 311 Ca -0.06 -1.93 -0.43 0.00 -2.02 0.00 0.00 58.31 53.88 1l2a n LYS 311 Cb 0.60 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1l2a n LYS 311 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1l2a s THR 312 N -2.62 4.20 0.42 -0.18 2.01 -1.26 -4.88 115.64 113.33 1l2a s THR 312 Ca 0.40 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.54 1l2a s THR 312 Cb 0.30 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 1l2a s THR 312 CO -0.05 -0.42 1.10 -2.84 -0.69 0.00 0.00 174.62 171.72 1l2a s PRO 313 N 4.01 4.03 0.29 4.92 0.02 -1.26 -0.88 135.00 146.13 1l2a s PRO 313 Ca 0.55 1.62 0.07 0.00 0.02 0.00 0.00 61.00 63.26 1l2a s PRO 313 Cb -0.17 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 1l2a s PRO 313 CO 0.21 -0.29 0.22 0.00 -0.33 0.00 0.00 177.00 176.81 1l2a s ALA 314 N -1.61 3.65 -0.11 -1.55 0.00 -0.59 -4.59 121.76 116.97 1l2a s ALA 314 Ca 0.60 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1l2a s ALA 314 Cb -0.25 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 1l2a s ALA 314 CO 0.31 0.13 -0.12 0.25 0.00 0.00 0.00 175.76 176.33 1l2a n THR 315 N -1.24 0.60 0.00 0.00 -2.24 -1.26 -1.41 114.28 108.74 1l2a n THR 315 Ca -0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1l2a n THR 315 Cb 0.59 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1l2a n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 316 N 2.62 0.49 1.30 3.38 0.00 -1.26 -4.72 105.19 107.00 1l2a n GLY 316 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1l2a n GLY 316 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1l2a n TYR 317 N 0.00 1.06 0.21 1.61 4.01 -1.26 -4.40 117.16 118.39 1l2a n TYR 317 Ca 0.00 -0.47 0.13 0.00 -0.16 0.00 0.00 57.90 57.40 1l2a n TYR 317 Cb 0.00 -0.09 0.70 0.00 -0.31 0.00 0.00 39.34 39.64 1l2a n TYR 317 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1l2a h ASP 318 N 3.72 0.00 -0.35 7.72 3.32 -1.96 -0.35 116.42 128.53 1l2a h ASP 318 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1l2a h ASP 318 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1l2a h ASP 318 CO 0.09 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.07 1l2a n SER 319 N -2.44 3.31 -4.63 6.45 3.41 -1.26 -0.85 113.62 117.61 1l2a n SER 319 Ca -0.02 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.23 1l2a n SER 319 Cb 0.12 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1l2a n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l2a s ALA 320 N -1.43 3.61 -0.47 7.33 0.00 -0.14 -1.53 121.76 129.12 1l2a s ALA 320 Ca 0.35 -0.36 0.24 0.00 0.00 0.00 0.00 51.96 52.19 1l2a s ALA 320 Cb 0.21 -3.15 0.33 0.00 0.00 0.00 0.00 23.12 20.51 1l2a s ALA 320 CO 0.29 -0.92 1.43 1.12 0.00 0.00 0.00 175.76 177.68 1l2a h HIS 321 N 7.88 0.00 -0.35 0.00 2.07 -1.62 -3.47 115.15 119.66 1l2a h HIS 321 Ca -0.25 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.12 1l2a h HIS 321 Cb 1.11 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.03 1l2a h HIS 321 CO 0.76 0.00 -0.14 0.66 -3.07 0.00 0.00 177.93 176.14 1l2a n TYR 322 N -2.64 0.00 -3.28 6.12 4.01 -0.94 -4.99 117.16 115.44 1l2a n TYR 322 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 1l2a n TYR 322 Cb 0.50 -1.93 0.00 0.00 -0.31 0.00 0.00 39.34 37.60 1l2a n TYR 322 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1l2a s LEU 323 N -1.67 3.85 -0.51 7.72 1.43 -1.26 -4.59 118.68 123.65 1l2a s LEU 323 Ca 0.00 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1l2a s LEU 323 Cb 0.00 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1l2a s LEU 323 CO 0.00 -0.54 1.27 -0.04 0.23 0.00 0.00 176.35 177.27 1l2a s MET 324 N -4.32 3.55 1.06 1.70 -1.94 -1.26 -3.52 119.30 114.56 1l2a s MET 324 Ca 0.46 0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 54.80 1l2a s MET 324 Cb -0.10 -4.01 0.24 0.00 2.01 0.00 0.00 34.83 32.98 1l2a s MET 324 CO 0.34 -1.62 1.28 0.00 -0.01 0.00 0.00 175.02 175.01 1l2a s ALA 325 N 5.13 1.73 0.52 3.03 0.00 -0.66 -4.42 121.76 127.09 1l2a s ALA 325 Ca 0.50 -1.23 0.18 0.00 0.00 0.00 0.00 51.96 51.41 1l2a s ALA 325 Cb -0.09 -2.77 1.30 0.00 0.00 0.00 0.00 23.12 21.56 1l2a s ALA 325 CO 0.29 -2.88 2.12 2.35 0.00 0.00 0.00 175.76 177.64 1l2a h TRP 326 N -2.00 0.00 -1.76 0.00 2.91 -1.58 -3.43 115.95 110.08 1l2a h TRP 326 Ca -0.44 0.00 0.23 0.00 1.13 0.00 0.00 58.89 59.81 1l2a h TRP 326 Cb 1.24 0.00 -0.15 0.00 -0.51 0.00 0.00 29.16 29.73 1l2a h TRP 326 CO -1.72 0.00 0.70 1.52 -1.03 0.00 0.00 178.44 177.91 1l2a s TYR 327 N -5.05 -0.16 -0.04 2.65 -0.85 -1.26 -4.52 117.35 108.11 1l2a s TYR 327 Ca -0.05 0.05 0.06 0.00 -0.52 0.00 0.00 57.07 56.62 1l2a s TYR 327 Cb 0.17 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 43.04 1l2a s TYR 327 CO 0.68 -0.37 -0.24 0.99 -1.52 0.00 0.00 175.55 175.09 1l2a s THR 328 N -2.69 1.96 0.10 -3.49 2.01 -1.26 -3.55 115.64 108.72 1l2a s THR 328 Ca 0.10 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1l2a s THR 328 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1l2a s THR 328 CO -0.05 0.55 -0.22 0.00 -0.69 0.00 0.00 174.62 174.21 1l2a s ALA 329 N -0.26 1.87 -0.09 7.40 0.00 -0.92 -1.41 121.76 128.34 1l2a s ALA 329 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1l2a s ALA 329 Cb -0.12 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.76 1l2a s ALA 329 CO 0.02 0.39 0.40 1.67 0.00 0.00 0.00 175.76 178.24 1l2a s TRP 330 N -1.09 -0.36 0.33 0.00 -2.14 -0.80 0.09 118.94 114.97 1l2a s TRP 330 Ca 0.07 0.77 -0.10 0.00 2.66 0.00 0.00 56.10 59.51 1l2a s TRP 330 Cb -0.10 0.16 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1l2a s TRP 330 CO 0.04 -0.33 0.58 0.20 -2.66 0.00 0.00 176.95 174.79 1l2a s GLY 331 N -0.54 0.85 0.06 3.67 0.00 -0.13 -1.30 107.32 109.92 1l2a s GLY 331 Ca -0.07 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 1l2a s GLY 331 CO 0.03 -0.66 0.97 -0.32 0.00 0.00 0.00 173.10 173.12 1l2a s GLY 332 N -3.12 -0.34 0.35 0.20 0.00 -0.08 -0.73 107.32 103.60 1l2a s GLY 332 Ca 0.23 0.58 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 1l2a s GLY 332 CO 0.14 0.17 1.02 -0.32 0.00 0.00 0.00 173.10 174.11 1l2a s GLY 333 N -2.73 2.81 0.04 0.20 0.00 -1.06 0.77 107.32 107.35 1l2a s GLY 333 Ca 0.09 0.67 -0.16 0.00 0.00 0.00 0.00 44.72 45.32 1l2a s GLY 333 CO -0.03 1.13 1.12 -2.22 0.00 0.00 0.00 173.10 173.10 1l2a h ILE 334 N 2.48 1.34 0.00 0.90 1.08 -1.08 -3.44 117.51 118.79 1l2a h ILE 334 Ca -0.47 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.72 1l2a h ILE 334 Cb 1.21 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.54 1l2a h ILE 334 CO 0.64 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 179.39 1l2a n GLY 335 N 1.20 -2.10 0.00 5.37 0.00 -1.24 -4.94 105.19 103.48 1l2a n GLY 335 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1l2a n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a n ALA 336 N -3.00 0.00 -3.04 4.61 0.00 -1.26 -5.06 120.51 112.76 1l2a n ALA 336 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1l2a n ALA 336 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1l2a n ALA 336 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1l2a s SER 337 N -1.00 5.54 0.04 0.00 1.04 -1.26 -4.43 113.70 113.62 1l2a s SER 337 Ca 0.00 -1.11 -0.17 0.00 0.48 0.00 0.00 55.95 55.15 1l2a s SER 337 Cb 0.00 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.20 1l2a s SER 337 CO 0.00 -0.38 0.37 -1.66 0.98 0.00 0.00 173.24 172.56 1l2a s TRP 338 N 1.47 -0.21 -0.03 5.02 1.48 -1.26 -4.94 118.94 120.48 1l2a s TRP 338 Ca 0.00 0.16 -0.11 0.00 -1.06 0.00 0.00 56.10 55.10 1l2a s TRP 338 Cb -0.20 0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.30 1l2a s TRP 338 CO 0.05 -0.53 0.23 0.00 -4.06 0.00 0.00 176.95 172.63 1l2a s ALA 339 N -2.36 -0.57 0.14 2.67 0.00 -1.26 -2.55 121.76 117.83 1l2a s ALA 339 Ca -0.06 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1l2a s ALA 339 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1l2a s ALA 339 CO -0.02 -0.21 -0.08 1.67 0.00 0.00 0.00 175.76 177.13 1l2a s TRP 340 N -1.02 1.17 -0.07 0.00 1.48 0.09 -4.36 118.94 116.24 1l2a s TRP 340 Ca -0.11 -0.84 -0.06 0.00 -1.06 0.00 0.00 56.10 54.03 1l2a s TRP 340 Cb -0.05 -0.63 0.02 0.00 -1.16 0.00 0.00 33.47 31.65 1l2a s TRP 340 CO 0.02 -0.02 0.19 0.21 -4.06 0.00 0.00 176.95 173.29 1l2a s LYS 341 N -3.79 0.21 0.07 3.25 2.20 -0.17 -0.95 119.74 120.56 1l2a s LYS 341 Ca 0.17 0.28 0.07 0.00 -0.36 0.00 0.00 55.97 56.13 1l2a s LYS 341 Cb 0.04 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1l2a s LYS 341 CO -0.00 -0.04 -0.19 0.96 -0.36 0.00 0.00 175.35 175.71 1l2a s ILE 342 N 0.23 1.56 0.00 5.43 -4.36 0.11 -4.17 121.20 120.01 1l2a s ILE 342 Ca -0.01 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1l2a s ILE 342 Cb -0.02 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1l2a s ILE 342 CO -0.01 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1l2a n GLY 343 N 1.45 1.07 3.47 6.27 0.00 -1.02 -2.17 105.19 114.26 1l2a n GLY 343 Ca -0.19 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 1l2a n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a n SER 345 N 1.69 0.75 -4.52 0.00 7.64 -1.26 -3.58 113.62 114.33 1l2a n SER 345 Ca -0.17 -0.59 -0.34 0.00 1.01 0.00 0.00 58.87 58.78 1l2a n SER 345 Cb 0.56 0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 64.17 1l2a n SER 345 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1l2a s HIS 346 N -2.97 2.97 -0.03 1.43 3.76 -1.26 -0.99 115.29 118.19 1l2a s HIS 346 Ca 0.11 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 1l2a s HIS 346 Cb 0.17 -1.84 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 1l2a s HIS 346 CO 0.75 0.10 -0.14 0.00 -0.85 0.00 0.00 174.74 174.60 1l2a s ALA 347 N -0.12 1.26 -0.11 -1.40 0.00 0.13 -1.50 121.76 120.02 1l2a s ALA 347 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 1l2a s ALA 347 Cb -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1l2a s ALA 347 CO 0.03 0.24 -0.10 -1.58 0.00 0.00 0.00 175.76 174.35 1l2a s HIS 348 N 0.02 2.87 0.50 0.00 5.04 -1.26 -1.03 115.29 121.43 1l2a s HIS 348 Ca -0.02 -0.30 0.19 0.00 -1.54 0.00 0.00 55.06 53.39 1l2a s HIS 348 Cb -0.10 -1.80 1.26 0.00 0.04 0.00 0.00 32.58 31.99 1l2a s HIS 348 CO 0.01 0.04 2.05 0.27 -2.34 0.00 0.00 174.74 174.77 1l2a h PHE 349 N 6.08 0.11 0.00 3.88 -0.00 -1.29 -1.98 116.94 123.75 1l2a h PHE 349 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.61 1l2a h PHE 349 Cb 1.19 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 1l2a h PHE 349 CO 0.52 0.05 0.00 0.41 -0.00 0.00 0.00 178.31 179.30 1l2a n GLY 350 N -1.58 -1.05 0.28 6.09 0.00 -1.26 -1.71 105.19 105.97 1l2a n GLY 350 Ca 0.05 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1l2a n GLY 350 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1l2a n TYR 351 N -2.24 0.00 -2.40 1.61 4.02 -0.74 -4.65 117.16 112.76 1l2a n TYR 351 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1l2a n TYR 351 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 1l2a n TYR 351 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1l2a s GLN 352 N -2.54 3.61 -0.43 -0.72 -1.52 -0.69 -4.45 119.66 112.92 1l2a s GLN 352 Ca 0.13 1.43 0.04 0.00 -1.95 0.00 0.00 55.36 55.01 1l2a s GLN 352 Cb 0.16 -2.06 0.17 0.00 -0.22 0.00 0.00 33.01 31.06 1l2a s GLN 352 CO 0.64 -0.60 0.43 1.21 -0.25 0.00 0.00 175.29 176.71 1l2a s ASN 353 N -1.99 0.81 0.43 5.90 3.84 -1.26 -4.88 114.94 117.79 1l2a s ASN 353 Ca 0.69 -2.49 0.19 0.00 0.21 0.00 0.00 52.86 51.46 1l2a s ASN 353 Cb -0.19 0.25 0.99 0.00 -0.55 0.00 0.00 41.25 41.75 1l2a s ASN 353 CO 0.24 -0.16 1.90 -0.65 -2.79 0.00 0.00 177.10 175.64 1l2a h PRO 354 N 5.79 0.00 0.53 0.43 0.11 -1.89 0.05 132.00 137.02 1l2a h PRO 354 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1l2a h PRO 354 Cb 0.98 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.10 1l2a h PRO 354 CO 0.25 0.27 -0.26 0.35 -0.21 0.00 0.00 178.00 178.41 1l2a h PHE 355 N 0.00 -0.66 -0.92 0.65 3.57 -1.95 0.29 116.94 117.92 1l2a h PHE 355 Ca -0.00 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.62 1l2a h PHE 355 Cb 0.57 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 1l2a h PHE 355 CO 0.00 -0.36 0.59 0.37 -2.23 0.00 0.00 178.31 176.68 1l2a h GLN 356 N -0.85 0.76 -0.23 1.11 -0.00 -1.78 -0.28 115.11 113.84 1l2a h GLN 356 Ca -0.07 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1l2a h GLN 356 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 1l2a h GLN 356 CO 0.12 0.50 0.13 0.78 0.00 0.00 0.00 178.83 180.37 1l2a h GLY 357 N 0.78 0.32 1.00 2.39 0.00 -0.58 -1.70 103.07 105.28 1l2a h GLY 357 Ca 0.46 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1l2a h GLY 357 CO -0.22 0.09 0.25 -0.25 0.00 0.00 0.00 176.54 176.41 1l2a h TRP 358 N 0.28 0.96 0.08 5.60 7.01 0.57 -1.33 115.95 129.11 1l2a h TRP 358 Ca 0.09 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.04 1l2a h TRP 358 Cb -0.00 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 26.72 1l2a h TRP 358 CO -0.08 0.76 -0.40 0.28 -2.79 0.00 0.00 178.44 176.21 1l2a h VAL 359 N 0.89 0.18 -0.92 2.65 2.07 -0.80 -0.61 116.25 119.70 1l2a h VAL 359 Ca 0.21 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 1l2a h VAL 359 Cb 0.20 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1l2a h VAL 359 CO -0.02 0.00 0.61 0.28 0.02 0.00 0.00 177.57 178.46 1l2a h SER 360 N -0.61 1.04 0.25 0.57 0.02 -1.16 -0.28 113.55 113.38 1l2a h SER 360 Ca 0.03 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1l2a h SER 360 Cb 0.66 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1l2a h SER 360 CO -0.26 0.74 -0.53 0.00 -1.14 0.00 0.00 176.83 175.64 1l2a h ALA 361 N 1.35 0.90 0.00 3.77 0.00 -1.01 -3.41 119.26 120.86 1l2a h ALA 361 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1l2a h ALA 361 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1l2a h ALA 361 CO -0.09 0.68 -0.83 0.25 0.00 0.00 0.00 179.25 179.26 1l2a n THR 362 N -3.94 0.00 -2.95 0.00 -2.24 -0.26 -4.79 114.28 100.10 1l2a n THR 362 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1l2a n THR 362 Cb 0.57 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1l2a n THR 362 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1l2a s GLN 363 N -1.73 4.23 0.32 -0.78 -1.52 -0.13 -4.96 119.66 115.09 1l2a s GLN 363 Ca 0.00 0.88 0.08 0.00 -1.95 0.00 0.00 55.36 54.37 1l2a s GLN 363 Cb 0.00 -3.60 0.92 0.00 -0.22 0.00 0.00 33.01 30.10 1l2a s GLN 363 CO 0.00 -0.38 1.62 1.03 -0.25 0.00 0.00 175.29 177.31 1l2a h SER 364 N 7.51 0.05 1.67 5.90 0.87 -1.95 -1.73 113.55 125.86 1l2a h SER 364 Ca -0.28 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1l2a h SER 364 Cb 1.12 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1l2a h SER 364 CO 0.83 -0.25 -0.15 0.44 -0.53 0.00 0.00 176.83 177.16 1l2a h ASP 365 N 0.14 0.00 -0.55 6.23 3.32 -1.94 -3.05 116.42 120.57 1l2a h ASP 365 Ca 0.66 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1l2a h ASP 365 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1l2a h ASP 365 CO -0.73 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 177.29 1l2a n PHE 366 N -2.76 0.86 -1.68 4.55 3.01 -0.71 -4.62 117.46 116.11 1l2a n PHE 366 Ca 0.04 -0.53 -0.47 0.00 1.01 0.00 0.00 57.45 57.50 1l2a n PHE 366 Cb 0.50 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.87 1l2a n PHE 366 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1l2a n ALA 367 N 1.04 1.22 -1.69 4.37 0.00 -0.86 -4.66 120.51 119.92 1l2a n ALA 367 Ca 0.20 0.33 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 1l2a n ALA 367 Cb 0.60 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 1l2a n ALA 367 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1l2a n PRO 368 N 5.57 2.22 0.23 0.00 -0.02 -1.26 -4.90 135.00 136.85 1l2a n PRO 368 Ca 0.20 0.79 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 1l2a n PRO 368 Cb 0.31 -2.49 0.57 0.00 -0.02 0.00 0.00 33.50 31.87 1l2a n PRO 368 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1l2a h LYS 369 N 4.55 0.00 -7.30 -0.52 3.64 -1.90 -3.45 116.57 111.59 1l2a h LYS 369 Ca -0.45 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.46 1l2a h LYS 369 Cb 1.26 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.25 1l2a h LYS 369 CO 0.78 0.19 0.18 -1.54 -2.27 0.00 0.00 179.45 176.79 1l2a s SER 370 N -6.59 2.65 0.04 4.20 1.04 -1.26 -4.91 113.70 108.87 1l2a s SER 370 Ca -0.03 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1l2a s SER 370 Cb 0.14 -2.11 -0.26 0.00 0.10 0.00 0.00 66.02 63.90 1l2a s SER 370 CO 0.65 -3.15 1.01 -1.28 0.98 0.00 0.00 173.24 171.45 1l2a h SER 371 N -1.90 0.27 -0.01 7.02 0.87 -1.87 -3.37 113.55 114.57 1l2a h SER 371 Ca -0.53 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1l2a h SER 371 Cb 1.31 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1l2a h SER 371 CO 0.54 1.28 -0.30 0.59 -0.53 0.00 0.00 176.83 178.40 1l2a n ASN 372 N -3.41 1.32 -0.10 6.23 3.02 -1.26 -4.73 115.26 116.33 1l2a n ASN 372 Ca -0.11 -1.16 -0.06 0.00 -0.03 0.00 0.00 54.58 53.23 1l2a n ASN 372 Cb 1.02 0.53 0.01 0.00 -0.61 0.00 0.00 39.78 40.73 1l2a n ASN 372 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1l2a h GLY 373 N 2.79 0.35 0.26 7.41 0.00 -1.91 0.08 103.07 112.06 1l2a h GLY 373 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1l2a h GLY 373 CO 0.00 -0.07 0.10 1.70 0.00 0.00 0.00 176.54 178.27 1l2a h LYS 374 N 0.11 0.22 -0.11 4.80 3.64 -1.84 -0.03 116.57 123.35 1l2a h LYS 374 Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1l2a h LYS 374 Cb 0.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1l2a h LYS 374 CO -0.26 0.15 0.04 -0.09 -2.27 0.00 0.00 179.45 177.01 1l2a h ARG 375 N 0.23 0.18 -0.91 1.90 2.43 -1.65 -1.44 114.38 115.12 1l2a h ARG 375 Ca 0.27 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1l2a h ARG 375 Cb 0.39 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1l2a h ARG 375 CO -0.37 0.32 0.51 -0.44 -1.51 0.00 0.00 179.97 178.49 1l2a h ASP 376 N 0.00 1.12 -0.35 -3.80 3.32 -0.55 -2.52 116.42 113.64 1l2a h ASP 376 Ca 0.04 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1l2a h ASP 376 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1l2a h ASP 376 CO -0.00 0.89 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.80 1l2a h TRP 377 N 1.26 0.86 -0.52 4.55 4.06 -0.91 -0.10 115.95 125.16 1l2a h TRP 377 Ca 0.32 -0.16 0.05 0.00 2.06 0.00 0.00 58.89 61.17 1l2a h TRP 377 Cb 0.00 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 27.89 1l2a h TRP 377 CO 0.01 0.85 0.25 1.15 -3.56 0.00 0.00 178.44 177.14 1l2a h THR 378 N 0.71 0.93 -0.50 1.49 2.02 -1.03 -0.73 112.91 115.79 1l2a h THR 378 Ca 0.12 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1l2a h THR 378 Cb 0.59 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1l2a h THR 378 CO 0.04 0.09 0.03 0.74 0.37 0.00 0.00 175.52 176.79 1l2a h THR 379 N 0.48 1.26 0.09 3.16 2.02 -1.24 -3.27 112.91 115.39 1l2a h THR 379 Ca 0.23 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1l2a h THR 379 Cb 0.17 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1l2a h THR 379 CO -0.18 0.36 -0.04 -1.28 0.37 0.00 0.00 175.52 174.75 1l2a h SER 380 N 0.74 -0.10 -0.33 4.18 0.87 -0.34 -1.82 113.55 116.76 1l2a h SER 380 Ca 0.15 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1l2a h SER 380 Cb 0.47 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1l2a h SER 380 CO 0.02 0.23 0.16 0.10 -0.53 0.00 0.00 176.83 176.81 1l2a h TYR 381 N -0.44 0.51 -0.47 2.24 -0.00 -1.29 0.17 116.97 117.70 1l2a h TYR 381 Ca -0.01 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.73 58.57 1l2a h TYR 381 Cb 0.37 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 1l2a h TYR 381 CO 0.03 0.40 -0.25 0.87 -0.00 0.00 0.00 178.16 179.22 1l2a h LYS 382 N 0.52 0.99 -0.65 0.10 1.57 -1.59 -2.31 116.57 115.21 1l2a h LYS 382 Ca 0.13 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1l2a h LYS 382 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1l2a h LYS 382 CO -0.02 1.12 0.19 -0.09 -0.57 0.00 0.00 179.45 180.08 1l2a h ARG 383 N 0.84 1.01 -0.64 3.15 9.65 -0.37 -2.37 114.38 125.66 1l2a h ARG 383 Ca 0.10 -0.22 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1l2a h ARG 383 Cb 0.83 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.23 1l2a h ARG 383 CO 0.07 0.89 0.41 1.96 2.80 0.00 0.00 179.97 186.11 1l2a h GLN 384 N 0.94 0.81 -0.76 0.20 4.20 -0.57 -1.24 115.11 118.68 1l2a h GLN 384 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1l2a h GLN 384 Cb 0.31 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1l2a h GLN 384 CO -0.00 0.53 0.48 -0.07 -0.67 0.00 0.00 178.83 179.10 1l2a h LEU 385 N 0.83 0.90 -0.82 1.46 3.38 -1.05 -0.87 115.31 119.14 1l2a h LEU 385 Ca 0.24 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1l2a h LEU 385 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1l2a h LEU 385 CO -0.07 0.67 -0.34 -0.33 0.09 0.00 0.00 178.44 178.47 1l2a h GLU 386 N 1.05 0.49 -0.19 1.13 5.08 -0.87 -3.02 114.58 118.24 1l2a h GLU 386 Ca 0.28 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1l2a h GLU 386 Cb -0.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1l2a h GLU 386 CO -0.06 0.76 0.06 0.35 -1.00 0.00 0.00 179.01 179.13 1l2a h PHE 387 N 0.41 0.12 -0.92 4.33 3.57 -0.01 0.12 116.94 124.56 1l2a h PHE 387 Ca 0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1l2a h PHE 387 Cb 0.79 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 1l2a h PHE 387 CO 0.03 0.06 0.59 1.88 -2.23 0.00 0.00 178.31 178.63 1l2a h TYR 388 N 0.15 1.09 -0.41 0.41 0.05 -1.36 -1.75 116.97 115.14 1l2a h TYR 388 Ca 0.08 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.75 1l2a h TYR 388 Cb 0.05 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1l2a h TYR 388 CO -0.11 0.58 -0.30 1.96 -1.05 0.00 0.00 178.16 179.23 1l2a h GLN 389 N 1.09 0.91 -0.50 4.88 4.20 -1.21 -2.65 115.11 121.83 1l2a h GLN 389 Ca 0.39 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1l2a h GLN 389 Cb 0.12 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1l2a h GLN 389 CO -0.16 1.08 -0.05 2.35 -0.67 0.00 0.00 178.83 181.39 1l2a h TRP 390 N 0.77 0.94 -0.00 2.96 7.01 -0.49 -2.95 115.95 124.19 1l2a h TRP 390 Ca 0.08 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.92 1l2a h TRP 390 Cb 0.87 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1l2a h TRP 390 CO 0.05 0.88 -0.00 1.28 -2.79 0.00 0.00 178.44 177.86 1l2a n LEU 391 N -4.18 0.01 -4.64 0.65 4.77 -0.69 -4.78 117.00 108.14 1l2a n LEU 391 Ca 0.02 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1l2a n LEU 391 Cb 0.34 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1l2a n LEU 391 CO 0.43 0.00 1.32 -1.58 -1.33 0.00 0.00 177.39 176.23 1l2a s GLN 392 N -2.62 3.92 1.15 3.23 0.74 -1.02 -1.27 119.66 123.79 1l2a s GLN 392 Ca 0.27 1.72 -0.13 0.00 0.05 0.00 0.00 55.36 57.27 1l2a s GLN 392 Cb 0.20 -3.98 0.28 0.00 1.10 0.00 0.00 33.01 30.61 1l2a s GLN 392 CO 0.47 -1.13 1.03 -1.54 -0.55 0.00 0.00 175.29 173.57 1l2a s SER 393 N 3.69 1.12 0.41 6.67 1.04 -0.14 -4.49 113.70 122.01 1l2a s SER 393 Ca 0.68 1.42 0.11 0.00 0.48 0.00 0.00 55.95 58.64 1l2a s SER 393 Cb -0.25 -2.20 0.94 0.00 0.10 0.00 0.00 66.02 64.61 1l2a s SER 393 CO 0.27 -4.10 1.98 0.00 0.98 0.00 0.00 173.24 172.38 1l2a h ALA 394 N -2.55 1.91 0.19 5.32 0.00 -0.64 -3.00 119.26 120.48 1l2a h ALA 394 Ca -0.61 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 53.98 1l2a h ALA 394 Cb 1.34 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1l2a h ALA 394 CO 0.52 -0.02 -1.44 0.93 0.00 0.00 0.00 179.25 179.24 1l2a h GLU 395 N 0.50 0.40 0.00 0.00 3.07 -1.91 -3.49 114.58 113.15 1l2a h GLU 395 Ca 0.27 -0.68 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1l2a h GLU 395 Cb 0.41 0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1l2a h GLU 395 CO -0.08 1.33 0.00 0.41 -1.40 0.00 0.00 179.01 179.27 1l2a n GLY 396 N 1.76 0.66 3.78 -3.84 0.00 -1.13 -4.47 105.19 101.94 1l2a n GLY 396 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1l2a n GLY 396 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l2a s GLY 397 N 0.00 2.47 -0.16 -0.02 0.00 -1.26 -4.29 107.32 104.06 1l2a s GLY 397 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 44.72 45.18 1l2a s GLY 397 CO 0.00 1.00 0.60 -0.42 0.00 0.00 0.00 173.10 174.28 1l2a s ILE 398 N -2.00 5.07 1.13 0.90 -1.09 -1.26 -0.97 121.20 122.98 1l2a s ILE 398 Ca 0.69 1.16 -0.18 0.00 -2.23 0.00 0.00 60.65 60.09 1l2a s ILE 398 Cb -0.20 -3.93 0.26 0.00 -1.58 0.00 0.00 42.46 37.01 1l2a s ILE 398 CO 0.28 0.19 1.19 0.00 -1.23 0.00 0.00 174.94 175.36 1l2a s ALA 399 N 1.40 1.17 0.02 9.38 0.00 -0.40 -4.96 121.76 128.37 1l2a s ALA 399 Ca 0.29 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1l2a s ALA 399 Cb -0.16 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 1l2a s ALA 399 CO 0.12 -3.22 1.17 0.78 0.00 0.00 0.00 175.76 174.61 1l2a h GLY 400 N -2.28 -0.64 0.00 0.00 0.00 -1.73 -3.41 103.07 95.01 1l2a h GLY 400 Ca -0.44 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1l2a h GLY 400 CO 0.34 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1l2a n GLY 401 N -1.06 -0.33 3.39 4.60 0.00 -0.72 -0.95 105.19 110.11 1l2a n GLY 401 Ca -0.08 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1l2a n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2a s ALA 402 N -1.00 -1.31 0.10 4.61 0.00 -0.20 -0.31 121.76 123.64 1l2a s ALA 402 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1l2a s ALA 402 Cb 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1l2a s ALA 402 CO 0.00 -0.56 -0.13 -0.08 0.00 0.00 0.00 175.76 174.98 1l2a s THR 403 N -2.84 1.16 -2.34 0.00 -1.32 0.04 0.20 115.64 110.56 1l2a s THR 403 Ca -0.03 -1.56 0.21 0.00 -1.21 0.00 0.00 61.69 59.10 1l2a s THR 403 Cb -0.00 -1.34 0.10 0.00 -1.51 0.00 0.00 72.50 69.75 1l2a s THR 403 CO -0.05 -0.39 1.11 -3.20 -2.21 0.00 0.00 174.62 169.88 1l2a n ASN 404 N 0.79 2.43 -3.52 8.08 5.15 -0.17 0.42 115.26 128.44 1l2a n ASN 404 Ca -0.17 -1.71 -0.27 0.00 -0.60 0.00 0.00 54.58 51.82 1l2a n ASN 404 Cb 0.56 0.19 -0.10 0.00 -0.53 0.00 0.00 39.78 39.90 1l2a n ASN 404 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1l2a n SER 405 N 0.70 0.54 -4.62 1.20 2.88 -1.26 -4.69 113.62 108.37 1l2a n SER 405 Ca 0.11 -2.63 -0.50 0.00 -1.33 0.00 0.00 58.87 54.53 1l2a n SER 405 Cb 0.49 -0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 63.29 1l2a n SER 405 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1l2a n TRP 406 N 2.53 1.82 -1.22 0.66 -0.00 -1.26 -0.08 117.44 119.88 1l2a n TRP 406 Ca 0.27 0.49 -0.10 0.00 -0.00 0.00 0.00 57.50 58.16 1l2a n TRP 406 Cb 0.44 -2.42 -0.04 0.00 -0.00 0.00 0.00 31.31 29.29 1l2a n TRP 406 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1l2a n ASN 407 N 2.87 -4.62 -0.20 5.87 3.02 -1.26 -1.64 115.26 119.29 1l2a n ASN 407 Ca 0.18 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.96 1l2a n ASN 407 Cb 0.23 -3.60 -0.01 0.00 -0.61 0.00 0.00 39.78 35.79 1l2a n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l2a n GLY 408 N 0.13 0.59 0.69 7.41 0.00 0.89 -4.63 105.19 110.26 1l2a n GLY 408 Ca -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1l2a n GLY 408 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l2a n ARG 409 N -2.70 0.14 -3.21 1.61 1.74 -0.65 -2.65 116.66 110.95 1l2a n ARG 409 Ca -0.03 -1.40 -0.22 0.00 -0.77 0.00 0.00 57.85 55.43 1l2a n ARG 409 Cb 0.11 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1l2a n ARG 409 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1l2a n TYR 410 N -0.04 -1.77 -1.07 -1.55 4.01 -1.18 -4.92 117.16 110.64 1l2a n TYR 410 Ca 0.03 0.42 -0.31 0.00 -0.16 0.00 0.00 57.90 57.88 1l2a n TYR 410 Cb 0.79 -3.11 0.12 0.00 -0.31 0.00 0.00 39.34 36.84 1l2a n TYR 410 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1l2a s GLU 411 N -5.85 1.73 0.34 -0.72 2.02 -1.04 -3.17 118.70 112.00 1l2a s GLU 411 Ca 0.34 1.24 -0.27 0.00 0.02 0.00 0.00 54.97 56.30 1l2a s GLU 411 Cb -0.18 -1.83 -0.09 0.00 0.10 0.00 0.00 34.13 32.13 1l2a s GLU 411 CO 0.42 -2.04 1.10 0.21 0.02 0.00 0.00 175.26 174.97 1l2a s LYS 412 N -4.82 4.39 0.17 1.61 2.20 -1.26 -4.12 119.74 117.91 1l2a s LYS 412 Ca 0.63 1.72 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 1l2a s LYS 412 Cb -0.19 -2.90 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 1l2a s LYS 412 CO 0.57 0.01 1.22 0.71 -0.36 0.00 0.00 175.35 177.50 1l2a s TYR 413 N -1.36 3.39 0.50 4.03 2.02 -1.26 -4.98 117.35 119.69 1l2a s TYR 413 Ca 0.51 1.36 -0.20 0.00 -0.37 0.00 0.00 57.07 58.37 1l2a s TYR 413 Cb -0.29 -3.47 -0.11 0.00 -0.40 0.00 0.00 41.96 37.70 1l2a s TYR 413 CO 0.37 -1.36 0.53 -2.30 -1.57 0.00 0.00 175.55 171.21 1l2a n PRO 414 N 2.71 0.57 -1.64 -1.71 -0.02 -1.26 -4.89 135.00 128.76 1l2a n PRO 414 Ca 0.05 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1l2a n PRO 414 Cb 0.44 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.32 1l2a n PRO 414 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l2a n ALA 415 N -1.27 0.54 -0.91 3.55 0.00 -1.26 -1.84 120.51 119.33 1l2a n ALA 415 Ca 0.11 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1l2a n ALA 415 Cb 0.44 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1l2a n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l2a n GLY 416 N 1.06 1.16 3.72 0.00 0.00 -1.26 -4.98 105.19 104.89 1l2a n GLY 416 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1l2a n GLY 416 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 417 N -3.90 3.03 0.25 2.61 2.01 -0.76 -4.98 115.64 113.90 1l2a s THR 417 Ca 0.00 0.74 -0.17 0.00 0.31 0.00 0.00 61.69 62.57 1l2a s THR 417 Cb 0.00 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1l2a s THR 417 CO 0.00 0.06 0.70 -0.55 -0.69 0.00 0.00 174.62 174.14 1l2a s SER 418 N 1.12 6.91 0.12 3.53 0.15 -1.26 -4.95 113.70 119.32 1l2a s SER 418 Ca 0.67 1.30 0.03 0.00 0.70 0.00 0.00 55.95 58.65 1l2a s SER 418 Cb -0.40 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 1l2a s SER 418 CO 0.31 -0.05 -0.09 0.42 1.20 0.00 0.00 173.24 175.03 1l2a s THR 419 N -1.69 0.95 -0.21 6.45 -4.23 -1.26 -0.83 115.64 114.82 1l2a s THR 419 Ca 0.46 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1l2a s THR 419 Cb -0.14 -1.75 0.07 0.00 1.34 0.00 0.00 72.50 72.02 1l2a s THR 419 CO 0.20 -0.79 0.06 0.12 -0.54 0.00 0.00 174.62 173.67 1l2a s PHE 420 N -3.40 0.85 -1.60 3.99 5.36 0.80 -1.16 117.98 122.82 1l2a s PHE 420 Ca 0.14 -0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 55.16 1l2a s PHE 420 Cb 0.03 -1.02 0.09 0.00 -0.34 0.00 0.00 43.02 41.79 1l2a s PHE 420 CO -0.02 -0.64 0.54 0.66 -1.46 0.00 0.00 175.22 174.30 1l2a n TYR 421 N 5.10 -1.60 0.00 10.12 4.02 -1.26 -1.31 117.16 132.23 1l2a n TYR 421 Ca -0.07 0.75 0.00 0.00 -0.01 0.00 0.00 57.90 58.56 1l2a n TYR 421 Cb 0.46 -3.10 0.00 0.00 -0.02 0.00 0.00 39.34 36.69 1l2a n TYR 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1l2a n GLY 422 N -1.73 2.83 3.79 2.72 0.00 -1.26 -4.58 105.19 106.96 1l2a n GLY 422 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1l2a n GLY 422 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1l2a s MET 423 N -0.26 4.42 -0.01 1.61 -1.94 -0.43 -3.99 119.30 118.69 1l2a s MET 423 Ca 0.00 1.34 -0.21 0.00 -1.71 0.00 0.00 55.69 55.11 1l2a s MET 423 Cb 0.00 -2.63 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 1l2a s MET 423 CO 0.00 0.12 0.61 0.00 -0.01 0.00 0.00 175.02 175.74 1l2a s ALA 424 N -1.72 3.46 0.23 3.03 0.00 0.17 -0.14 121.76 126.78 1l2a s ALA 424 Ca 0.54 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1l2a s ALA 424 Cb -0.18 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 1l2a s ALA 424 CO 0.23 0.12 1.65 -0.47 0.00 0.00 0.00 175.76 177.29 1l2a s TYR 425 N -0.02 2.89 -0.04 0.00 5.04 -0.01 -0.78 117.35 124.43 1l2a s TYR 425 Ca 0.32 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1l2a s TYR 425 Cb -0.18 -4.07 0.01 0.00 0.35 0.00 0.00 41.96 38.07 1l2a s TYR 425 CO 0.17 -3.89 -0.07 0.54 -1.34 0.00 0.00 175.55 170.96 1l2a s VAL 426 N 0.75 0.66 0.28 3.14 0.11 0.57 -4.85 120.40 121.06 1l2a s VAL 426 Ca 0.70 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.56 1l2a s VAL 426 Cb -0.48 -0.64 0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1l2a s VAL 426 CO 0.37 0.24 1.69 -0.65 -3.33 0.00 0.00 175.10 173.42 1l2a h PRO 427 N 6.88 0.33 -2.52 1.54 0.11 -1.95 -1.92 132.00 134.47 1l2a h PRO 427 Ca -0.36 -0.15 -0.60 0.00 0.11 0.00 0.00 66.00 65.00 1l2a h PRO 427 Cb 1.16 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 1l2a h PRO 427 CO 0.48 0.67 -0.83 0.72 -0.21 0.00 0.00 178.00 178.82 1l2a n HIS 428 N -4.05 0.87 -1.65 0.65 8.25 -1.26 -3.76 115.22 114.27 1l2a n HIS 428 Ca -0.01 -3.73 -0.50 0.00 -0.26 0.00 0.00 57.72 53.22 1l2a n HIS 428 Cb 0.47 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 1l2a n HIS 428 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1l2a n PRO 429 N 2.19 1.69 0.00 -0.41 -0.02 -1.26 -3.37 135.00 133.81 1l2a n PRO 429 Ca 0.26 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1l2a n PRO 429 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1l2a n PRO 429 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1l2a n VAL 430 N 3.51 0.00 -4.63 -1.45 0.31 -1.26 -4.59 118.33 110.22 1l2a n VAL 430 Ca 0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.30 1l2a n VAL 430 Cb 0.24 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.01 1l2a n VAL 430 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1l2a s TYR 431 N -0.05 1.26 -0.23 3.52 2.02 -1.22 -3.89 117.35 118.76 1l2a s TYR 431 Ca 0.00 -0.26 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 1l2a s TYR 431 Cb 0.00 -0.82 -0.13 0.00 -0.40 0.00 0.00 41.96 40.61 1l2a s TYR 431 CO 0.00 -0.04 0.31 0.00 -1.57 0.00 0.00 175.55 174.25 1l2a n ALA 432 N 2.82 2.81 -3.62 3.71 0.00 -0.31 -1.76 120.51 124.16 1l2a n ALA 432 Ca -0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 1l2a n ALA 432 Cb 0.55 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 1l2a n ALA 432 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1l2a s ASP 433 N -2.55 3.56 0.82 0.00 2.15 -1.26 -2.65 116.67 116.74 1l2a s ASP 433 Ca -0.00 -1.93 -0.12 0.00 0.43 0.00 0.00 52.55 50.93 1l2a s ASP 433 Cb 0.07 -0.67 0.09 0.00 -0.30 0.00 0.00 42.92 42.11 1l2a s ASP 433 CO 0.41 -0.36 1.19 -2.16 -0.17 0.00 0.00 175.17 174.08 1l2a s PRO 434 N 1.29 1.85 0.28 4.34 0.04 -1.26 -4.47 135.00 137.07 1l2a s PRO 434 Ca 0.14 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 1l2a s PRO 434 Cb -0.20 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 1l2a s PRO 434 CO -0.15 -1.66 1.40 0.41 0.04 0.00 0.00 177.00 177.04 1l2a n GLY 435 N -3.35 0.82 0.19 0.56 0.00 -1.09 -4.86 105.19 97.45 1l2a n GLY 435 Ca 0.09 0.43 0.13 0.00 0.00 0.00 0.00 46.02 46.67 1l2a n GLY 435 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1l2a h SER 436 N 3.78 0.00 -0.29 1.61 4.64 -1.59 -1.73 113.55 119.98 1l2a h SER 436 Ca -0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 1l2a h SER 436 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1l2a h SER 436 CO 0.72 0.00 -0.00 -3.20 -0.87 0.00 0.00 176.83 173.48 1l2a n ASN 437 N -2.43 3.50 0.07 4.97 5.15 -1.26 -4.50 115.26 120.77 1l2a n ASN 437 Ca -0.01 -3.21 -0.18 0.00 -0.60 0.00 0.00 54.58 50.58 1l2a n ASN 437 Cb 0.10 -0.57 -0.09 0.00 -0.53 0.00 0.00 39.78 38.68 1l2a n ASN 437 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1l2a h GLN 438 N 1.53 0.54 -6.27 1.20 4.15 -1.54 -3.44 115.11 111.29 1l2a h GLN 438 Ca 0.07 -0.65 -0.57 0.00 0.77 0.00 0.00 58.65 58.27 1l2a h GLN 438 Cb 1.51 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 29.36 1l2a h GLN 438 CO 0.27 1.26 1.01 -0.46 -1.93 0.00 0.00 178.83 178.98 1l2a s TRP 439 N -3.14 2.51 0.57 3.99 -0.00 -1.26 0.09 118.94 121.70 1l2a s TRP 439 Ca -0.08 0.76 0.30 0.00 -0.00 0.00 0.00 56.10 57.08 1l2a s TRP 439 Cb 0.07 -3.82 1.46 0.00 -0.00 0.00 0.00 33.47 31.18 1l2a s TRP 439 CO 0.90 -2.22 1.88 0.35 -0.00 0.00 0.00 176.95 177.86 1l2a h PHE 440 N 9.42 0.00 -1.02 5.86 3.57 -1.67 -3.16 116.94 129.94 1l2a h PHE 440 Ca -0.29 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.46 1l2a h PHE 440 Cb 1.12 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.77 1l2a h PHE 440 CO 0.87 0.00 0.65 0.78 -2.23 0.00 0.00 178.31 178.38 1l2a h GLY 441 N 0.00 1.27 1.85 2.40 0.00 -1.88 0.34 103.07 107.05 1l2a h GLY 441 Ca 0.29 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1l2a h GLY 441 CO -0.00 -0.13 -0.15 0.74 0.00 0.00 0.00 176.54 177.00 1l2a h PHE 442 N 0.43 0.20 -0.10 5.60 0.05 -1.94 -1.53 116.94 119.66 1l2a h PHE 442 Ca 0.59 -0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.39 1l2a h PHE 442 Cb 1.42 -0.06 -0.04 0.00 2.00 0.00 0.00 35.95 39.27 1l2a h PHE 442 CO -0.00 0.34 -0.17 1.96 -0.18 0.00 0.00 178.31 180.26 1l2a h GLN 443 N 0.18 -0.22 0.58 1.51 1.08 -1.16 -1.62 115.11 115.46 1l2a h GLN 443 Ca 0.04 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1l2a h GLN 443 Cb 0.37 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1l2a h GLN 443 CO 0.02 -0.14 -0.28 0.00 -0.95 0.00 0.00 178.83 177.48 1l2a h ALA 444 N 0.79 -0.78 -1.00 3.87 0.00 -1.55 -0.98 119.26 119.61 1l2a h ALA 444 Ca 0.08 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1l2a h ALA 444 Cb 0.35 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1l2a h ALA 444 CO -0.23 -0.81 0.61 -1.49 0.00 0.00 0.00 179.25 177.33 1l2a h TRP 445 N -1.02 1.09 0.08 0.00 4.06 -1.27 -1.23 115.95 117.65 1l2a h TRP 445 Ca -0.08 0.03 -0.31 0.00 2.06 0.00 0.00 58.89 60.59 1l2a h TRP 445 Cb 0.66 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 1l2a h TRP 445 CO 0.00 0.29 -1.70 0.45 -3.56 0.00 0.00 178.44 173.92 1l2a n SER 446 N -4.73 2.02 0.21 -3.49 2.88 -0.61 -3.84 113.62 106.06 1l2a n SER 446 Ca 0.22 0.30 0.04 0.00 -1.33 0.00 0.00 58.87 58.10 1l2a n SER 446 Cb 0.51 -0.91 0.45 0.00 -0.75 0.00 0.00 64.21 63.51 1l2a n SER 446 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1l2a h MET 447 N -0.37 0.00 -0.98 -1.46 2.86 -1.18 -1.86 114.93 111.95 1l2a h MET 447 Ca -0.40 -0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.46 1l2a h MET 447 Cb 1.74 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.31 1l2a h MET 447 CO -0.03 0.25 0.62 0.37 1.06 0.00 0.00 176.91 179.18 1l2a h GLN 448 N 0.00 0.51 -0.12 1.72 -0.00 -1.33 0.73 115.11 116.61 1l2a h GLN 448 Ca -0.00 -0.03 -0.21 0.00 -0.00 0.00 0.00 58.65 58.40 1l2a h GLN 448 Cb 0.44 -0.12 0.01 0.00 0.00 0.00 0.00 27.48 27.81 1l2a h GLN 448 CO 0.03 0.34 -0.76 0.00 0.00 0.00 0.00 178.83 178.44 1l2a h ARG 449 N 0.53 0.74 -0.90 1.69 3.08 -1.44 -2.39 114.38 115.68 1l2a h ARG 449 Ca 0.55 -0.62 0.08 0.00 0.07 0.00 0.00 59.98 60.05 1l2a h ARG 449 Cb 1.18 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.30 1l2a h ARG 449 CO -0.29 1.23 0.56 0.28 -1.07 0.00 0.00 179.97 180.68 1l2a h VAL 450 N 0.44 1.00 -0.48 2.04 2.07 -1.21 -0.71 116.25 119.39 1l2a h VAL 450 Ca -0.06 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1l2a h VAL 450 Cb 1.40 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1l2a h VAL 450 CO 0.16 0.18 0.21 0.24 0.02 0.00 0.00 177.57 178.38 1l2a h MET 451 N 0.97 0.71 -0.63 1.57 2.86 -0.61 0.83 114.93 120.63 1l2a h MET 451 Ca 0.41 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1l2a h MET 451 Cb 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1l2a h MET 451 CO -0.21 0.61 0.21 0.93 1.06 0.00 0.00 176.91 179.51 1l2a h GLU 452 N 0.64 0.95 -0.64 1.72 5.08 -1.02 0.17 114.58 121.47 1l2a h GLU 452 Ca 0.16 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1l2a h GLU 452 Cb 0.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1l2a h GLU 452 CO -0.02 0.81 0.35 -0.92 -1.00 0.00 0.00 179.01 178.23 1l2a h TYR 453 N 0.92 0.88 -0.52 4.33 3.20 -0.43 -1.36 116.97 123.99 1l2a h TYR 453 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1l2a h TYR 453 Cb 0.25 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1l2a h TYR 453 CO 0.02 0.63 0.04 -0.92 -1.64 0.00 0.00 178.16 176.29 1l2a h TYR 454 N 0.87 0.96 -0.25 -3.82 3.20 -0.29 -2.22 116.97 115.42 1l2a h TYR 454 Ca 0.23 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1l2a h TYR 454 Cb 0.04 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 37.99 1l2a h TYR 454 CO -0.01 0.88 -0.22 1.25 -1.64 0.00 0.00 178.16 178.42 1l2a h LEU 455 N 0.77 -0.72 0.00 2.82 6.46 -0.10 0.70 115.31 125.24 1l2a h LEU 455 Ca 0.15 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1l2a h LEU 455 Cb 0.47 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1l2a h LEU 455 CO 0.02 -0.26 -0.28 -0.62 -0.62 0.00 0.00 178.44 176.68 1l2a n GLU 456 N -5.37 0.12 -0.02 1.25 -0.58 -0.57 -4.23 120.64 111.25 1l2a n GLU 456 Ca -0.01 0.06 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1l2a n GLU 456 Cb 0.28 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1l2a n GLU 456 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1l2a n THR 457 N -1.79 0.22 -1.86 2.62 -2.24 -0.84 -5.01 114.28 105.37 1l2a n THR 457 Ca 0.05 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1l2a n THR 457 Cb 0.38 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 1l2a n THR 457 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 458 N 2.82 0.72 3.58 3.38 0.00 0.22 -4.93 105.19 110.97 1l2a n GLY 458 Ca -0.05 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1l2a n GLY 458 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l2a n ASP 459 N -0.83 2.82 -0.31 1.61 -0.08 -1.26 -4.88 116.55 113.63 1l2a n ASP 459 Ca -0.18 -0.12 0.19 0.00 -1.51 0.00 0.00 54.79 53.17 1l2a n ASP 459 Cb 0.58 -1.57 0.45 0.00 2.34 0.00 0.00 41.12 42.92 1l2a n ASP 459 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1l2a h SER 460 N 17.15 0.55 0.31 1.67 0.02 -1.98 -2.65 113.55 128.62 1l2a h SER 460 Ca -0.33 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1l2a h SER 460 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1l2a h SER 460 CO 1.05 0.17 0.00 -1.54 -1.14 0.00 0.00 176.83 175.37 1l2a n SER 461 N -4.64 0.00 -0.23 3.07 3.41 -1.26 -1.90 113.62 112.07 1l2a n SER 461 Ca 0.23 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 1l2a n SER 461 Cb 0.73 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1l2a n SER 461 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1l2a n VAL 462 N -1.40 0.00 -0.23 -3.33 3.14 -1.00 -4.66 118.33 110.86 1l2a n VAL 462 Ca 0.04 -0.31 -0.08 0.00 -2.96 0.00 0.00 64.34 61.03 1l2a n VAL 462 Cb 0.12 1.12 0.03 0.00 -1.06 0.00 0.00 33.84 34.05 1l2a n VAL 462 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1l2a h LYS 463 N 1.12 1.03 -0.24 1.45 3.64 -1.50 -1.37 116.57 120.70 1l2a h LYS 463 Ca 0.00 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 1l2a h LYS 463 Cb 0.42 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1l2a h LYS 463 CO 0.00 0.94 -0.09 -0.91 -2.27 0.00 0.00 179.45 177.12 1l2a h ASN 464 N 0.94 0.50 -0.24 4.20 2.35 -1.83 -0.58 115.58 120.93 1l2a h ASN 464 Ca 0.20 -0.39 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1l2a h ASN 464 Cb 0.39 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 1l2a h ASN 464 CO 0.01 0.78 -0.38 0.25 -1.65 0.00 0.00 177.43 176.43 1l2a h LEU 465 N 0.21 -1.21 -0.03 1.61 5.85 -1.80 -0.75 115.31 119.19 1l2a h LEU 465 Ca 0.06 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1l2a h LEU 465 Cb 0.58 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1l2a h LEU 465 CO 0.03 -0.38 -0.04 0.40 -0.34 0.00 0.00 178.44 178.12 1l2a h ILE 466 N -0.39 0.89 -0.81 4.05 2.04 -1.18 -2.03 117.51 120.09 1l2a h ILE 466 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1l2a h ILE 466 Cb 0.58 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1l2a h ILE 466 CO -0.45 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.27 1l2a h LYS 467 N -0.05 1.11 -0.52 2.37 1.79 -0.84 -0.49 116.57 119.94 1l2a h LYS 467 Ca 0.03 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1l2a h LYS 467 Cb 0.09 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 1l2a h LYS 467 CO -0.06 0.81 0.23 -0.22 -1.08 0.00 0.00 179.45 179.13 1l2a h LYS 468 N 1.11 0.76 -0.42 3.15 3.64 -1.03 -1.09 116.57 122.69 1l2a h LYS 468 Ca 0.29 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1l2a h LYS 468 Cb 0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1l2a h LYS 468 CO -0.05 0.65 -0.09 2.35 -2.27 0.00 0.00 179.45 180.04 1l2a h TRP 469 N 0.70 0.80 -0.16 1.91 7.01 -0.81 -2.03 115.95 123.36 1l2a h TRP 469 Ca 0.18 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1l2a h TRP 469 Cb 0.15 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1l2a h TRP 469 CO -0.00 0.79 0.00 0.28 -2.79 0.00 0.00 178.44 176.72 1l2a h VAL 470 N 0.67 1.25 -0.54 2.65 2.07 -0.83 -2.01 116.25 119.52 1l2a h VAL 470 Ca 0.12 -0.84 0.10 0.00 0.82 0.00 0.00 66.70 66.90 1l2a h VAL 470 Cb 0.54 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1l2a h VAL 470 CO 0.03 0.25 0.05 0.44 0.02 0.00 0.00 177.57 178.37 1l2a h ASP 471 N 0.03 -0.12 0.51 0.57 3.32 -1.07 0.21 116.42 119.87 1l2a h ASP 471 Ca 0.05 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1l2a h ASP 471 Cb 0.37 0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.11 1l2a h ASP 471 CO 0.01 -0.04 -0.25 -0.25 -1.72 0.00 0.00 179.24 176.99 1l2a h TRP 472 N 0.18 -0.64 -0.82 4.55 7.01 -1.18 -2.00 115.95 123.04 1l2a h TRP 472 Ca 0.28 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.30 1l2a h TRP 472 Cb 0.41 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 1l2a h TRP 472 CO -0.28 -0.38 0.52 0.28 -2.79 0.00 0.00 178.44 175.79 1l2a h VAL 473 N -0.72 1.11 0.00 2.65 2.07 -1.21 -2.13 116.25 118.03 1l2a h VAL 473 Ca -0.07 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1l2a h VAL 473 Cb 0.54 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1l2a h VAL 473 CO 0.12 0.18 -0.09 0.24 0.02 0.00 0.00 177.57 178.04 1l2a h MET 474 N 1.01 0.00 -0.01 1.57 2.86 -0.40 -0.66 114.93 119.30 1l2a h MET 474 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1l2a h MET 474 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1l2a h MET 474 CO -0.12 0.09 -0.02 -1.13 1.06 0.00 0.00 176.91 176.79 1l2a n SER 475 N -4.33 0.53 -0.05 1.22 3.41 -0.77 -3.91 113.62 109.72 1l2a n SER 475 Ca -0.03 -1.03 0.01 0.00 -0.26 0.00 0.00 58.87 57.56 1l2a n SER 475 Cb 0.17 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1l2a n SER 475 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1l2a n GLU 476 N -0.66 1.77 -3.08 4.33 -0.58 -0.30 -4.97 120.64 117.15 1l2a n GLU 476 Ca 0.20 -0.41 -0.40 0.00 -0.42 0.00 0.00 57.16 56.14 1l2a n GLU 476 Cb 0.22 -0.88 -0.05 0.00 -0.57 0.00 0.00 31.44 30.16 1l2a n GLU 476 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1l2a s ILE 477 N -0.52 5.05 -0.24 -3.67 1.01 -0.94 -4.16 121.20 117.73 1l2a s ILE 477 Ca 0.02 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.97 1l2a s ILE 477 Cb 0.02 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1l2a s ILE 477 CO 0.04 0.23 0.01 -0.54 0.00 0.00 0.00 174.94 174.68 1l2a s LYS 478 N 1.00 3.41 -0.09 2.79 -0.14 0.04 -4.99 119.74 121.77 1l2a s LYS 478 Ca 0.35 -0.62 -0.02 0.00 -1.36 0.00 0.00 55.97 54.32 1l2a s LYS 478 Cb -0.17 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 1l2a s LYS 478 CO 0.16 -0.24 -0.01 -0.51 -0.76 0.00 0.00 175.35 173.99 1l2a s LEU 479 N 1.52 3.52 0.17 3.17 1.43 -1.26 -0.22 118.68 127.00 1l2a s LEU 479 Ca 0.05 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.38 1l2a s LEU 479 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1l2a s LEU 479 CO -0.00 0.37 -0.24 -0.31 0.23 0.00 0.00 176.35 176.39 1l2a s TYR 480 N -0.82 2.24 0.50 0.29 1.51 -0.26 -4.98 117.35 115.82 1l2a s TYR 480 Ca 0.12 -0.38 0.16 0.00 -1.01 0.00 0.00 57.07 55.97 1l2a s TYR 480 Cb -0.11 -1.15 1.22 0.00 -0.11 0.00 0.00 41.96 41.81 1l2a s TYR 480 CO 0.02 0.42 2.11 -0.44 -1.11 0.00 0.00 175.55 176.55 1l2a h ASP 481 N 3.48 0.08 0.00 2.29 3.32 -1.98 -0.18 116.42 123.43 1l2a h ASP 481 Ca -0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1l2a h ASP 481 Cb 1.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1l2a h ASP 481 CO 0.45 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.12 1l2a n ASP 482 N -4.51 0.00 0.00 6.45 5.68 -1.26 -4.87 116.55 118.04 1l2a n ASP 482 Ca -0.00 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 1l2a n ASP 482 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1l2a n ASP 482 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l2a n GLY 483 N 0.46 0.76 3.95 6.12 0.00 -0.08 -5.03 105.19 111.37 1l2a n GLY 483 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1l2a n GLY 483 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l2a s THR 484 N -2.88 2.14 0.12 2.61 -4.23 -1.25 -4.77 115.64 107.38 1l2a s THR 484 Ca 0.00 -0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.12 1l2a s THR 484 Cb 0.00 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.98 1l2a s THR 484 CO 0.00 0.00 0.27 0.72 -0.54 0.00 0.00 174.62 175.07 1l2a s PHE 485 N -3.42 0.11 0.00 3.99 -0.12 -1.26 -1.11 117.98 116.18 1l2a s PHE 485 Ca 0.66 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1l2a s PHE 485 Cb -0.07 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 1l2a s PHE 485 CO 0.47 -0.63 -0.03 0.00 -0.05 0.00 0.00 175.22 174.99 1l2a s ALA 486 N -3.87 0.20 0.17 1.99 0.00 0.69 -4.82 121.76 116.13 1l2a s ALA 486 Ca 0.07 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1l2a s ALA 486 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1l2a s ALA 486 CO -0.09 0.01 -0.13 0.96 0.00 0.00 0.00 175.76 176.52 1l2a s ILE 487 N -0.33 1.50 0.33 0.00 -4.36 0.50 -0.78 121.20 118.06 1l2a s ILE 487 Ca -0.02 -2.09 -0.28 0.00 -0.26 0.00 0.00 60.65 58.00 1l2a s ILE 487 Cb -0.03 -1.91 -0.12 0.00 1.25 0.00 0.00 42.46 41.65 1l2a s ILE 487 CO -0.00 -0.61 1.30 -2.65 0.24 0.00 0.00 174.94 173.22 1l2a n PRO 488 N -0.18 2.10 -0.02 0.37 -0.02 -1.26 -0.88 135.00 135.11 1l2a n PRO 488 Ca -0.10 0.74 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1l2a n PRO 488 Cb 0.60 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1l2a n PRO 488 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1l2a n SER 489 N 1.00 0.64 -4.22 2.55 2.88 0.00 -4.71 113.62 111.76 1l2a n SER 489 Ca 0.06 0.05 -0.30 0.00 -1.33 0.00 0.00 58.87 57.35 1l2a n SER 489 Cb 0.35 -0.14 -0.16 0.00 -0.75 0.00 0.00 64.21 63.51 1l2a n SER 489 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1l2a s ASP 490 N -5.35 2.77 0.11 -3.46 1.11 -1.05 -1.92 116.67 108.89 1l2a s ASP 490 Ca -0.07 -0.46 0.10 0.00 0.18 0.00 0.00 52.55 52.30 1l2a s ASP 490 Cb 0.03 -0.76 -0.04 0.00 1.07 0.00 0.00 42.92 43.21 1l2a s ASP 490 CO 0.09 0.22 -0.24 -0.76 1.18 0.00 0.00 175.17 175.65 1l2a s LEU 491 N -0.10 2.43 -0.09 1.23 1.02 0.11 -1.04 118.68 122.25 1l2a s LEU 491 Ca -0.04 -0.66 0.01 0.00 0.02 0.00 0.00 54.13 53.47 1l2a s LEU 491 Cb -0.13 -1.34 0.02 0.00 0.02 0.00 0.00 46.19 44.76 1l2a s LEU 491 CO 0.03 0.19 -0.09 -0.70 0.02 0.00 0.00 176.35 175.80 1l2a s GLU 492 N -1.95 1.55 0.02 1.70 2.12 -0.26 -4.49 118.70 117.39 1l2a s GLU 492 Ca 0.15 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.21 1l2a s GLU 492 Cb -0.10 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 1l2a s GLU 492 CO 0.07 -0.13 -0.09 -1.58 -0.54 0.00 0.00 175.26 172.99 1l2a s TRP 493 N 1.20 2.82 0.04 5.30 0.52 -1.26 -1.47 118.94 126.08 1l2a s TRP 493 Ca -0.05 -0.09 -0.06 0.00 0.02 0.00 0.00 56.10 55.93 1l2a s TRP 493 Cb -0.14 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1l2a s TRP 493 CO -0.02 0.36 0.11 -1.54 0.02 0.00 0.00 176.95 175.87 1l2a s SER 494 N -1.49 0.16 0.01 2.95 1.04 -0.70 -5.01 113.70 110.66 1l2a s SER 494 Ca 0.17 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1l2a s SER 494 Cb -0.11 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1l2a s SER 494 CO 0.08 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1l2a n GLY 495 N 0.78 -1.43 3.18 7.32 0.00 -1.26 -0.80 105.19 112.99 1l2a n GLY 495 Ca -0.19 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1l2a n GLY 495 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1l2a s GLN 496 N 0.00 0.62 0.71 1.61 -0.21 -1.21 -4.89 119.66 116.28 1l2a s GLN 496 Ca 0.00 -0.37 -0.14 0.00 0.02 0.00 0.00 55.36 54.88 1l2a s GLN 496 Cb 0.00 0.26 0.03 0.00 1.00 0.00 0.00 33.01 34.30 1l2a s GLN 496 CO 0.00 -0.17 1.12 -1.25 -2.12 0.00 0.00 175.29 172.87 1l2a s PRO 497 N -1.65 2.49 0.50 2.91 0.04 -1.26 -3.76 135.00 134.26 1l2a s PRO 497 Ca -0.12 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 1l2a s PRO 497 Cb -0.05 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1l2a s PRO 497 CO 0.01 -1.49 1.18 -0.51 0.04 0.00 0.00 177.00 176.24 1l2a s ASP 498 N -2.73 5.90 0.18 6.66 1.01 -1.26 -4.76 116.67 121.66 1l2a s ASP 498 Ca 0.66 2.34 -0.33 0.00 0.71 0.00 0.00 52.55 55.93 1l2a s ASP 498 Cb -0.21 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 40.97 1l2a s ASP 498 CO 0.47 -1.10 1.25 0.41 0.21 0.00 0.00 175.17 176.40 1l2a n THR 499 N -0.80 0.76 -2.20 -1.27 -1.04 -1.26 -4.80 114.28 103.67 1l2a n THR 499 Ca 0.09 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 1l2a n THR 499 Cb 0.48 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 1l2a n THR 499 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1l2a s TRP 500 N -0.03 3.20 0.00 -1.42 -0.11 -0.31 -4.91 118.94 115.36 1l2a s TRP 500 Ca 0.74 1.38 0.00 0.00 1.22 0.00 0.00 56.10 59.43 1l2a s TRP 500 Cb -0.81 -3.60 0.00 0.00 -1.50 0.00 0.00 33.47 27.56 1l2a s TRP 500 CO 0.50 -1.70 0.40 2.41 -4.62 0.00 0.00 176.95 173.94 1l2a n THR 501 N 1.53 0.15 0.00 5.86 -1.04 -1.26 -4.78 114.28 114.74 1l2a n THR 501 Ca 0.02 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1l2a n THR 501 Cb 0.42 1.28 0.00 0.00 -1.82 0.00 0.00 70.33 70.21 1l2a n THR 501 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l2a n GLY 502 N -0.08 1.39 2.91 3.41 0.00 -1.26 -5.06 105.19 106.49 1l2a n GLY 502 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1l2a n GLY 502 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l2a s THR 503 N -2.26 0.59 0.20 2.61 2.01 -1.26 -5.12 115.64 112.40 1l2a s THR 503 Ca 0.00 -0.16 -0.32 0.00 0.31 0.00 0.00 61.69 61.52 1l2a s THR 503 Cb 0.00 -0.60 -0.11 0.00 0.01 0.00 0.00 72.50 71.80 1l2a s THR 503 CO 0.00 0.23 1.66 -0.47 -0.69 0.00 0.00 174.62 175.35 1l2a s TYR 504 N 0.84 2.96 -0.42 4.92 5.04 -1.26 -4.91 117.35 124.52 1l2a s TYR 504 Ca -0.12 0.47 0.23 0.00 -2.44 0.00 0.00 57.07 55.21 1l2a s TYR 504 Cb -0.14 -4.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.07 1l2a s TYR 504 CO 0.01 -3.95 0.93 0.25 -1.34 0.00 0.00 175.55 171.45 1l2a n THR 505 N 3.87 0.25 -0.01 4.34 -2.24 -1.26 -4.95 114.28 114.27 1l2a n THR 505 Ca 0.15 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1l2a n THR 505 Cb 0.36 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1l2a n THR 505 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l2a n GLY 506 N 1.30 0.43 3.78 3.38 0.00 -1.26 -4.73 105.19 108.10 1l2a n GLY 506 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1l2a n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l2a n ASN 507 N 0.00 -1.39 0.15 1.61 3.02 -1.26 -4.17 115.26 113.22 1l2a n ASN 507 Ca 0.00 -0.62 0.11 0.00 -0.03 0.00 0.00 54.58 54.04 1l2a n ASN 507 Cb 0.00 -0.75 0.55 0.00 -0.61 0.00 0.00 39.78 38.97 1l2a n ASN 507 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1l2a n PRO 508 N -2.86 0.14 -0.22 3.52 -0.04 -1.26 -0.92 135.00 133.36 1l2a n PRO 508 Ca -0.08 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 1l2a n PRO 508 Cb 0.28 -1.93 0.23 0.00 -0.04 0.00 0.00 33.50 32.04 1l2a n PRO 508 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l2a n ASN 509 N -2.23 3.48 -4.38 3.54 5.03 -1.26 -4.87 115.26 114.58 1l2a n ASN 509 Ca -0.01 -1.97 -0.38 0.00 0.87 0.00 0.00 54.58 53.09 1l2a n ASN 509 Cb 0.07 -0.30 -0.12 0.00 -1.02 0.00 0.00 39.78 38.41 1l2a n ASN 509 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1l2a s LEU 510 N -1.30 4.07 0.10 3.41 2.96 -0.09 -3.36 118.68 124.46 1l2a s LEU 510 Ca 0.39 -0.70 0.10 0.00 -0.22 0.00 0.00 54.13 53.70 1l2a s LEU 510 Cb 0.22 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1l2a s LEU 510 CO 0.30 -0.22 -0.26 -1.00 -1.32 0.00 0.00 176.35 173.85 1l2a s HIS 511 N 1.54 2.26 0.03 5.38 3.76 0.02 -0.27 115.29 128.02 1l2a s HIS 511 Ca 0.03 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1l2a s HIS 511 Cb -0.17 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.23 1l2a s HIS 511 CO 0.04 0.26 -0.13 0.54 -0.85 0.00 0.00 174.74 174.60 1l2a s VAL 512 N -0.98 1.00 -0.02 -0.90 0.11 -1.26 -1.71 120.40 116.63 1l2a s VAL 512 Ca 0.13 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1l2a s VAL 512 Cb -0.10 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1l2a s VAL 512 CO 0.05 0.00 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.17 1l2a s ARG 513 N -1.03 0.54 -0.09 1.54 3.52 -0.55 -4.93 118.95 117.96 1l2a s ARG 513 Ca 0.01 -0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 55.20 1l2a s ARG 513 Cb -0.07 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.74 1l2a s ARG 513 CO 0.01 0.05 0.82 0.08 -0.81 0.00 0.00 175.30 175.44 1l2a s VAL 514 N 0.25 4.94 -0.03 7.11 1.01 -1.26 -1.10 120.40 131.32 1l2a s VAL 514 Ca -0.03 1.66 0.14 0.00 0.00 0.00 0.00 61.98 63.76 1l2a s VAL 514 Cb -0.07 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.95 1l2a s VAL 514 CO -0.00 0.15 0.29 0.35 0.00 0.00 0.00 175.10 175.89 1l2a n THR 515 N 4.15 0.11 -3.78 3.92 -2.24 -0.20 -4.97 114.28 111.26 1l2a n THR 515 Ca 0.03 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1l2a n THR 515 Cb 0.50 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 1l2a n THR 515 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1l2a s SER 516 N -3.80 -0.05 0.16 3.42 1.04 -1.24 -4.98 113.70 108.25 1l2a s SER 516 Ca -0.06 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1l2a s SER 516 Cb 0.09 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1l2a s SER 516 CO 0.60 -0.82 -0.06 -0.31 0.98 0.00 0.00 173.24 173.63 1l2a s TYR 517 N -3.86 1.26 0.00 5.02 1.51 -1.26 -0.82 117.35 119.20 1l2a s TYR 517 Ca 0.06 -0.86 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1l2a s TYR 517 Cb 0.03 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1l2a s TYR 517 CO -0.09 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 1l2a n GLY 518 N -0.22 2.54 0.53 0.71 0.00 -0.06 -4.80 105.19 103.89 1l2a n GLY 518 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1l2a n GLY 518 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1l2a n THR 519 N 0.00 0.00 -1.67 2.61 5.66 -1.26 -0.37 114.28 119.25 1l2a n THR 519 Ca 0.00 -0.03 -0.53 0.00 -3.05 0.00 0.00 64.05 60.45 1l2a n THR 519 Cb 0.00 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.08 1l2a n THR 519 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1l2a n ASP 520 N 0.01 2.83 0.01 1.09 -0.08 -1.26 -4.89 116.55 114.26 1l2a n ASP 520 Ca -0.00 0.95 -0.16 0.00 -1.51 0.00 0.00 54.79 54.06 1l2a n ASP 520 Cb 0.65 -1.26 -0.06 0.00 2.34 0.00 0.00 41.12 42.80 1l2a n ASP 520 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1l2a h LEU 521 N 8.74 0.83 -0.31 -2.67 3.38 -1.98 -1.39 115.31 121.92 1l2a h LEU 521 Ca -0.45 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 56.87 1l2a h LEU 521 Cb 1.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1l2a h LEU 521 CO 0.96 1.37 -0.09 1.23 0.09 0.00 0.00 178.44 182.01 1l2a h GLY 522 N 0.70 0.66 1.03 0.83 0.00 -1.88 -0.72 103.07 103.70 1l2a h GLY 522 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1l2a h GLY 522 CO 0.16 0.51 0.60 -2.08 0.00 0.00 0.00 176.54 175.74 1l2a h VAL 523 N 0.38 1.26 -0.51 4.60 2.07 -1.93 0.91 116.25 123.03 1l2a h VAL 523 Ca 0.08 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 1l2a h VAL 523 Cb 0.58 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1l2a h VAL 523 CO 0.03 0.26 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 1l2a h ALA 524 N 1.35 0.70 -0.06 1.67 0.00 -1.10 0.75 119.26 122.56 1l2a h ALA 524 Ca 0.35 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1l2a h ALA 524 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1l2a h ALA 524 CO -0.07 0.61 0.04 0.78 0.00 0.00 0.00 179.25 180.61 1l2a h GLY 525 N 0.84 0.09 0.75 0.00 0.00 -0.74 -0.00 103.07 104.01 1l2a h GLY 525 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1l2a h GLY 525 CO 0.05 0.04 0.39 0.23 0.00 0.00 0.00 176.54 177.25 1l2a h SER 526 N 0.05 0.61 -0.30 0.19 0.87 -0.67 0.19 113.55 114.48 1l2a h SER 526 Ca 0.02 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1l2a h SER 526 Cb 0.03 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1l2a h SER 526 CO -0.00 0.40 -0.39 0.25 -0.53 0.00 0.00 176.83 176.56 1l2a h LEU 527 N 0.74 0.86 -0.60 2.23 5.85 -0.54 -1.42 115.31 122.43 1l2a h LEU 527 Ca 0.29 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1l2a h LEU 527 Cb 0.13 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1l2a h LEU 527 CO -0.15 1.19 0.29 0.00 -0.34 0.00 0.00 178.44 179.43 1l2a h ALA 528 N 0.70 0.79 -0.11 1.25 0.00 -0.81 -1.26 119.26 119.82 1l2a h ALA 528 Ca 0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1l2a h ALA 528 Cb 0.98 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1l2a h ALA 528 CO 0.09 -0.08 -0.11 -0.97 0.00 0.00 0.00 179.25 178.18 1l2a h ASN 529 N 0.54 -0.34 -0.49 0.00 -0.73 -0.64 -0.24 115.58 113.68 1l2a h ASN 529 Ca 0.28 0.07 0.06 0.00 1.87 0.00 0.00 56.30 58.58 1l2a h ASN 529 Cb 0.25 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.95 1l2a h ASN 529 CO -0.22 -0.15 0.20 0.00 -0.37 0.00 0.00 177.43 176.89 1l2a h ALA 530 N 0.94 0.61 -0.42 1.57 0.00 -0.91 0.59 119.26 121.64 1l2a h ALA 530 Ca 0.08 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1l2a h ALA 530 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1l2a h ALA 530 CO -0.19 -0.19 -0.20 -0.07 0.00 0.00 0.00 179.25 178.60 1l2a h LEU 531 N 0.39 0.90 -0.58 0.00 3.38 -0.97 0.22 115.31 118.64 1l2a h LEU 531 Ca 0.23 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1l2a h LEU 531 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1l2a h LEU 531 CO -0.22 1.10 0.19 0.00 0.09 0.00 0.00 178.44 179.61 1l2a h ALA 532 N 0.83 0.76 -0.43 1.53 0.00 -0.72 0.71 119.26 121.93 1l2a h ALA 532 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1l2a h ALA 532 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l2a h ALA 532 CO 0.06 0.41 0.08 1.15 0.00 0.00 0.00 179.25 180.95 1l2a h THR 533 N 0.81 1.24 -0.31 0.00 2.02 -0.76 -0.08 112.91 115.83 1l2a h THR 533 Ca 0.19 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1l2a h THR 533 Cb 0.27 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1l2a h THR 533 CO -0.01 0.30 0.11 0.22 0.37 0.00 0.00 175.52 176.51 1l2a h TYR 534 N 0.57 0.19 -0.50 3.16 3.20 -0.67 -1.29 116.97 121.63 1l2a h TYR 534 Ca 0.13 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.10 1l2a h TYR 534 Cb 0.37 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1l2a h TYR 534 CO 0.02 0.09 0.12 0.00 -1.64 0.00 0.00 178.16 176.76 1l2a h ALA 535 N 1.19 0.58 -0.84 1.82 0.00 -0.44 0.01 119.26 121.57 1l2a h ALA 535 Ca 0.14 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1l2a h ALA 535 Cb 0.10 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1l2a h ALA 535 CO -0.14 -0.28 0.53 0.00 0.00 0.00 0.00 179.25 179.36 1l2a h ALA 536 N 1.37 1.14 -0.56 0.00 0.00 -0.72 -1.99 119.26 118.51 1l2a h ALA 536 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1l2a h ALA 536 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1l2a h ALA 536 CO -0.30 0.32 0.13 0.00 0.00 0.00 0.00 179.25 179.40 1l2a h ALA 537 N 1.38 1.19 -0.28 0.00 0.00 0.08 -1.89 119.26 119.74 1l2a h ALA 537 Ca 0.35 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1l2a h ALA 537 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1l2a h ALA 537 CO -0.15 0.56 -0.34 1.79 0.00 0.00 0.00 179.25 181.11 1l2a h THR 538 N 0.83 1.29 -0.59 0.00 1.35 -0.34 -1.01 112.91 114.43 1l2a h THR 538 Ca 0.18 -1.48 -0.05 0.00 -0.55 0.00 0.00 66.41 64.52 1l2a h THR 538 Cb 0.30 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 1l2a h THR 538 CO -0.00 0.47 0.18 -0.08 -0.25 0.00 0.00 175.52 175.84 1l2a h GLU 539 N 0.52 0.93 -0.17 4.72 4.81 -1.20 0.31 114.58 124.49 1l2a h GLU 539 Ca 0.06 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1l2a h GLU 539 Cb 0.84 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1l2a h GLU 539 CO 0.07 0.83 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.91 1l2a h ARG 540 N 0.85 0.43 0.00 1.92 2.43 -1.12 -3.39 114.38 115.49 1l2a h ARG 540 Ca 0.19 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1l2a h ARG 540 Cb 0.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1l2a h ARG 540 CO -0.01 0.80 -1.84 0.91 -1.51 0.00 0.00 179.97 178.31 1l2a n TRP 541 N -4.49 0.00 -3.58 2.20 7.02 -0.40 -5.03 117.44 113.15 1l2a n TRP 541 Ca -0.06 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.22 1l2a n TRP 541 Cb 0.39 -0.45 0.02 0.00 -2.42 0.00 0.00 31.31 28.84 1l2a n TRP 541 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1l2a n GLU 542 N -2.17 0.75 0.05 -0.99 1.02 0.11 -5.01 120.64 114.39 1l2a n GLU 542 Ca -0.06 -2.87 -0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1l2a n GLU 542 Cb 0.53 0.15 0.30 0.00 -0.02 0.00 0.00 31.44 32.40 1l2a n GLU 542 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1l2a h GLY 543 N 0.41 0.41 -4.26 0.62 0.00 -1.93 -3.46 103.07 94.87 1l2a h GLY 543 Ca -0.28 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1l2a h GLY 543 CO 0.43 0.26 -0.14 -1.59 0.00 0.00 0.00 176.54 175.50 1l2a s LYS 544 N -4.69 0.80 0.23 4.80 -2.85 -1.26 -5.08 119.74 111.69 1l2a s LYS 544 Ca -0.06 -0.12 -0.31 0.00 -1.00 0.00 0.00 55.97 54.47 1l2a s LYS 544 Cb 0.15 0.36 -0.11 0.00 -2.06 0.00 0.00 37.83 36.17 1l2a s LYS 544 CO 0.76 -0.24 1.63 -1.17 0.10 0.00 0.00 175.35 176.43 1l2a s LEU 545 N -1.42 4.36 -1.19 2.77 2.96 -1.26 -4.32 118.68 120.59 1l2a s LEU 545 Ca -0.12 2.83 -0.21 0.00 -0.22 0.00 0.00 54.13 56.42 1l2a s LEU 545 Cb -0.03 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1l2a s LEU 545 CO 0.04 -0.90 1.75 -0.62 -1.32 0.00 0.00 176.35 175.30 1l2a s ASP 546 N 0.88 6.19 0.31 3.68 -1.08 -1.26 -4.85 116.67 120.54 1l2a s ASP 546 Ca 0.69 -1.93 0.04 0.00 -0.52 0.00 0.00 52.55 50.82 1l2a s ASP 546 Cb -0.47 -2.58 0.81 0.00 -1.46 0.00 0.00 42.92 39.22 1l2a s ASP 546 CO 0.38 -1.84 1.58 0.74 0.52 0.00 0.00 175.17 176.55 1l2a h THR 547 N 6.08 0.06 -0.55 1.71 2.02 -1.94 -2.35 112.91 117.95 1l2a h THR 547 Ca 0.32 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.39 1l2a h THR 547 Cb 0.92 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1l2a h THR 547 CO 1.38 0.01 -0.06 0.11 0.37 0.00 0.00 175.52 177.32 1l2a h LYS 548 N 0.04 0.99 -0.46 6.66 1.57 -1.99 -0.81 116.57 122.56 1l2a h LYS 548 Ca 0.62 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1l2a h LYS 548 Cb 1.33 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1l2a h LYS 548 CO -0.86 1.01 -0.18 0.00 -0.57 0.00 0.00 179.45 178.84 1l2a h ALA 549 N 1.03 0.64 -0.21 3.86 0.00 -1.81 -0.94 119.26 121.83 1l2a h ALA 549 Ca 0.15 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1l2a h ALA 549 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1l2a h ALA 549 CO 0.04 0.60 0.11 -0.09 0.00 0.00 0.00 179.25 179.91 1l2a h ARG 550 N 0.78 0.23 -0.30 0.00 2.43 -1.18 -2.06 114.38 114.28 1l2a h ARG 550 Ca 0.11 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1l2a h ARG 550 Cb 0.75 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1l2a h ARG 550 CO 0.06 0.15 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.92 1l2a h ASP 551 N 0.24 0.66 -0.32 -3.80 3.32 -1.04 -2.80 116.42 112.68 1l2a h ASP 551 Ca 0.08 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1l2a h ASP 551 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1l2a h ASP 551 CO -0.04 0.93 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.32 1l2a h MET 552 N 0.55 0.72 -0.27 3.56 4.05 -1.04 -0.87 114.93 121.62 1l2a h MET 552 Ca 0.06 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1l2a h MET 552 Cb 0.80 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1l2a h MET 552 CO 0.07 0.77 0.15 0.00 0.23 0.00 0.00 176.91 178.12 1l2a h ALA 553 N 1.28 0.33 -0.43 0.39 0.00 -1.13 -1.99 119.26 117.72 1l2a h ALA 553 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1l2a h ALA 553 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1l2a h ALA 553 CO 0.03 -0.24 0.26 0.00 0.00 0.00 0.00 179.25 179.29 1l2a h ALA 554 N 1.13 0.54 -0.43 0.00 0.00 -1.31 -1.86 119.26 117.33 1l2a h ALA 554 Ca 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1l2a h ALA 554 Cb 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1l2a h ALA 554 CO -0.06 0.03 0.02 0.93 0.00 0.00 0.00 179.25 180.17 1l2a h GLU 555 N 0.56 0.13 -0.26 0.00 4.39 -0.98 0.40 114.58 118.83 1l2a h GLU 555 Ca 0.15 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1l2a h GLU 555 Cb -0.01 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1l2a h GLU 555 CO -0.03 0.09 0.07 -0.07 -1.16 0.00 0.00 179.01 177.90 1l2a h LEU 556 N 0.14 0.39 0.07 1.33 3.38 -1.19 0.22 115.31 119.64 1l2a h LEU 556 Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1l2a h LEU 556 Cb 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1l2a h LEU 556 CO -0.34 0.51 -0.05 0.58 0.09 0.00 0.00 178.44 179.23 1l2a h VAL 557 N 0.24 0.88 -0.82 1.22 2.07 -1.05 0.86 116.25 119.66 1l2a h VAL 557 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1l2a h VAL 557 Cb 0.27 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1l2a h VAL 557 CO 0.00 0.00 0.49 0.78 0.02 0.00 0.00 177.57 178.86 1l2a h ASN 558 N -0.12 0.74 0.73 0.57 2.35 -0.01 -1.46 115.58 118.37 1l2a h ASN 558 Ca -0.00 0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 1l2a h ASN 558 Cb 0.11 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1l2a h ASN 558 CO -0.00 0.45 -1.01 0.03 -1.65 0.00 0.00 177.43 175.25 1l2a h ARG 559 N 0.86 0.15 -0.33 0.81 3.08 -0.22 -0.41 114.38 118.32 1l2a h ARG 559 Ca 0.37 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1l2a h ARG 559 Cb 0.25 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1l2a h ARG 559 CO -0.20 1.03 -0.24 0.00 -1.07 0.00 0.00 179.97 179.49 1l2a h ALA 560 N 0.89 0.47 0.06 0.04 0.00 -0.57 -2.49 119.26 117.66 1l2a h ALA 560 Ca -0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1l2a h ALA 560 Cb 1.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1l2a h ALA 560 CO 0.15 0.46 -0.03 2.35 0.00 0.00 0.00 179.25 182.18 1l2a h TRP 561 N 0.52 -0.07 -0.55 0.00 2.91 -1.25 -2.18 115.95 115.33 1l2a h TRP 561 Ca 0.06 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1l2a h TRP 561 Cb 0.80 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.43 1l2a h TRP 561 CO 0.06 0.35 0.30 -0.92 -1.03 0.00 0.00 178.44 177.21 1l2a h TYR 562 N -0.53 0.56 0.00 2.65 3.20 -1.15 -2.90 116.97 118.80 1l2a h TYR 562 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1l2a h TYR 562 Cb 0.46 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1l2a h TYR 562 CO 0.07 0.30 -0.59 -0.91 -1.64 0.00 0.00 178.16 175.38 1l2a h ASN 563 N 0.59 0.00 0.00 -2.11 2.35 -1.49 -1.89 115.58 113.03 1l2a h ASN 563 Ca 0.23 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1l2a h ASN 563 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1l2a h ASN 563 CO -0.13 0.04 -0.12 0.49 -1.65 0.00 0.00 177.43 176.05 1l2a n PHE 564 N -2.51 0.00 -1.72 1.19 3.01 -0.82 -4.37 117.46 112.24 1l2a n PHE 564 Ca 0.02 -0.74 -0.42 0.00 1.01 0.00 0.00 57.45 57.32 1l2a n PHE 564 Cb 0.50 -0.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1l2a n PHE 564 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1l2a n TYR 565 N -1.05 2.58 -3.57 1.38 9.36 -1.10 0.11 117.16 124.87 1l2a n TYR 565 Ca 0.12 0.42 -0.39 0.00 3.32 0.00 0.00 57.90 61.36 1l2a n TYR 565 Cb 0.64 -2.50 -0.11 0.00 -0.63 0.00 0.00 39.34 36.74 1l2a n TYR 565 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1l2a h SER 567 N 8.42 0.20 0.24 0.00 0.02 -1.90 -2.85 113.55 117.68 1l2a h SER 567 Ca -0.33 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1l2a h SER 567 Cb 1.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1l2a h SER 567 CO 0.59 0.40 0.00 -0.62 -1.14 0.00 0.00 176.83 176.06 1l2a n GLU 568 N -4.24 0.36 -0.55 3.45 4.71 -1.26 -4.87 120.64 118.24 1l2a n GLU 568 Ca -0.01 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1l2a n GLU 568 Cb 0.30 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1l2a n GLU 568 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1l2a n GLY 569 N 0.24 0.67 0.02 0.62 0.00 -1.08 -4.98 105.19 100.68 1l2a n GLY 569 Ca 0.10 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1l2a n GLY 569 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l2a n LYS 570 N -2.55 0.05 0.00 1.61 5.02 -1.26 -4.84 118.16 116.19 1l2a n LYS 570 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1l2a n LYS 570 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1l2a n LYS 570 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l2a n GLY 571 N 1.49 0.72 3.37 0.72 0.00 -1.26 -4.67 105.19 105.56 1l2a n GLY 571 Ca 0.06 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1l2a n GLY 571 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l2a s VAL 572 N 0.00 2.12 0.03 1.61 -7.23 -1.26 -2.04 120.40 113.64 1l2a s VAL 572 Ca 0.00 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1l2a s VAL 572 Cb 0.00 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1l2a s VAL 572 CO 0.00 -0.08 -0.08 0.54 -0.31 0.00 0.00 175.10 175.17 1l2a s VAL 573 N -1.46 0.60 0.46 1.32 0.11 0.12 -4.71 120.40 116.84 1l2a s VAL 573 Ca 0.15 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1l2a s VAL 573 Cb -0.09 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1l2a s VAL 573 CO 0.07 -0.22 0.70 0.28 -3.33 0.00 0.00 175.10 172.60 1l2a s THR 574 N -1.02 4.19 -0.16 5.04 -1.32 -0.68 -4.61 115.64 117.07 1l2a s THR 574 Ca -0.06 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 1l2a s THR 574 Cb -0.08 -3.57 0.06 0.00 -1.51 0.00 0.00 72.50 67.40 1l2a s THR 574 CO 0.00 -0.44 0.07 -0.70 -2.21 0.00 0.00 174.62 171.35 1l2a s GLU 575 N -4.60 0.26 -0.06 7.08 2.12 -1.26 -3.81 118.70 118.43 1l2a s GLU 575 Ca 0.48 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 1l2a s GLU 575 Cb -0.10 -1.79 0.04 0.00 0.26 0.00 0.00 34.13 32.54 1l2a s GLU 575 CO 0.39 -0.62 0.11 -1.83 -0.54 0.00 0.00 175.26 172.77 1l2a s GLU 576 N 2.05 -0.02 0.07 4.30 -1.05 -0.45 -4.98 118.70 118.61 1l2a s GLU 576 Ca 0.01 0.45 -0.31 0.00 -0.15 0.00 0.00 54.97 54.98 1l2a s GLU 576 Cb -0.16 -0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.08 1l2a s GLU 576 CO -0.08 -0.30 1.51 0.00 0.95 0.00 0.00 175.26 177.34 1l2a s ALA 577 N 2.12 3.65 -0.61 -0.84 0.00 -1.26 -1.15 121.76 123.66 1l2a s ALA 577 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1l2a s ALA 577 Cb -0.12 -3.62 0.16 0.00 0.00 0.00 0.00 23.12 19.53 1l2a s ALA 577 CO -0.04 -0.90 0.41 1.03 0.00 0.00 0.00 175.76 176.25 1l2a s ARG 578 N 2.06 2.41 0.14 0.00 1.81 -0.07 -4.90 118.95 120.41 1l2a s ARG 578 Ca 0.68 -2.68 -0.11 0.00 -1.72 0.00 0.00 55.73 51.91 1l2a s ARG 578 Cb -0.37 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.51 1l2a s ARG 578 CO 0.30 -1.17 1.50 0.00 -0.68 0.00 0.00 175.30 175.26 1l2a h ALA 579 N 6.66 0.60 0.00 2.13 0.00 -1.91 -2.99 119.26 123.75 1l2a h ALA 579 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1l2a h ALA 579 Cb 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1l2a h ALA 579 CO 0.71 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 180.20 1l2a n ASP 580 N -4.12 0.00 0.00 0.00 5.75 -1.26 -2.45 116.55 114.47 1l2a n ASP 580 Ca -0.01 0.34 0.12 0.00 -0.01 0.00 0.00 54.79 55.23 1l2a n ASP 580 Cb 0.49 -0.35 0.68 0.00 -1.03 0.00 0.00 41.12 40.91 1l2a n ASP 580 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1l2a n TYR 581 N -1.35 0.00 0.21 2.11 4.02 -1.13 -1.97 117.16 119.06 1l2a n TYR 581 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 1l2a n TYR 581 Cb 0.01 -0.12 0.43 0.00 -0.02 0.00 0.00 39.34 39.64 1l2a n TYR 581 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1l2a h LYS 582 N 0.00 0.00 0.00 -0.72 2.10 -1.73 -2.95 116.57 113.26 1l2a h LYS 582 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1l2a h LYS 582 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1l2a h LYS 582 CO 0.00 0.25 0.00 0.54 -2.00 0.00 0.00 179.45 178.24 1l2a n ARG 583 N -3.41 0.02 0.00 0.07 1.74 -0.83 -1.38 116.66 112.87 1l2a n ARG 583 Ca 0.00 0.41 0.16 0.00 -0.77 0.00 0.00 57.85 57.64 1l2a n ARG 583 Cb 0.45 -1.56 0.61 0.00 -1.02 0.00 0.00 32.46 30.94 1l2a n ARG 583 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1l2a h PHE 584 N 0.00 0.17 0.00 -1.55 0.04 -1.73 -2.97 116.94 110.90 1l2a h PHE 584 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1l2a h PHE 584 Cb 0.12 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1l2a h PHE 584 CO 0.00 0.08 -0.93 1.19 -0.60 0.00 0.00 178.31 178.04 1l2a n PHE 585 N -4.44 0.00 0.13 -0.55 3.01 -0.54 -2.08 117.46 112.99 1l2a n PHE 585 Ca 0.08 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.59 1l2a n PHE 585 Cb 0.45 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.95 1l2a n PHE 585 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1l2a h GLU 586 N 0.00 0.00 -6.05 -1.08 5.08 -1.35 -3.46 114.58 107.73 1l2a h GLU 586 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1l2a h GLU 586 Cb 0.93 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.10 1l2a h GLU 586 CO 0.00 0.28 0.63 -1.14 -1.00 0.00 0.00 179.01 177.78 1l2a s GLN 587 N -3.06 4.01 -0.11 2.33 2.00 -1.12 -5.00 119.66 118.71 1l2a s GLN 587 Ca 0.02 0.84 -0.29 0.00 -2.00 0.00 0.00 55.36 53.94 1l2a s GLN 587 Cb 0.08 -3.73 -0.01 0.00 0.80 0.00 0.00 33.01 30.14 1l2a s GLN 587 CO 0.75 -0.79 0.97 -2.00 -0.50 0.00 0.00 175.29 173.72 1l2a s GLU 588 N 3.31 4.41 -0.40 1.67 2.12 -1.26 -1.89 118.70 126.65 1l2a s GLU 588 Ca 0.39 1.32 -0.19 0.00 0.36 0.00 0.00 54.97 56.85 1l2a s GLU 588 Cb -0.13 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.73 1l2a s GLU 588 CO 0.14 -0.30 0.55 0.08 -0.54 0.00 0.00 175.26 175.19 1l2a s VAL 589 N 1.99 4.95 0.23 3.70 1.01 -0.16 -4.92 120.40 127.20 1l2a s VAL 589 Ca 0.47 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1l2a s VAL 589 Cb -0.18 -4.08 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1l2a s VAL 589 CO 0.17 -0.42 1.37 0.00 0.00 0.00 0.00 175.10 176.23 1l2a n TYR 590 N 5.93 2.05 -3.78 5.22 9.36 -1.26 -4.43 117.16 130.25 1l2a n TYR 590 Ca -0.04 0.47 -0.13 0.00 3.32 0.00 0.00 57.90 61.51 1l2a n TYR 590 Cb 0.48 -2.44 -0.14 0.00 -0.63 0.00 0.00 39.34 36.61 1l2a n TYR 590 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1l2a s VAL 591 N -0.11 -0.04 0.30 2.97 -7.23 -1.26 -5.01 120.40 110.03 1l2a s VAL 591 Ca 0.68 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 1l2a s VAL 591 Cb -0.67 -0.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 1l2a s VAL 591 CO 0.50 0.05 1.44 -2.84 -0.31 0.00 0.00 175.10 173.95 1l2a s PRO 592 N 0.82 4.23 0.01 4.82 0.02 -1.26 -4.40 135.00 139.24 1l2a s PRO 592 Ca -0.06 2.38 -0.38 0.00 0.02 0.00 0.00 61.00 62.96 1l2a s PRO 592 Cb -0.08 -3.06 -0.17 0.00 0.02 0.00 0.00 34.50 31.21 1l2a s PRO 592 CO -0.04 -0.42 1.36 0.00 -0.33 0.00 0.00 177.00 177.57 1l2a n ALA 593 N 1.53 -1.29 -0.12 -1.55 0.00 -1.26 -1.44 120.51 116.38 1l2a n ALA 593 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1l2a n ALA 593 Cb 0.40 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1l2a n ALA 593 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l2a n GLY 594 N 2.62 1.77 3.74 0.00 0.00 -1.26 -5.04 105.19 107.02 1l2a n GLY 594 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1l2a n GLY 594 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1l2a s TRP 595 N -2.77 3.87 -0.05 1.61 -0.00 -0.52 -5.07 118.94 116.01 1l2a s TRP 595 Ca 0.00 1.84 -0.09 0.00 -0.00 0.00 0.00 56.10 57.84 1l2a s TRP 595 Cb 0.00 -3.05 0.02 0.00 -0.00 0.00 0.00 33.47 30.43 1l2a s TRP 595 CO 0.00 0.21 0.22 -1.54 -0.00 0.00 0.00 176.95 175.84 1l2a s SER 596 N -0.66 -0.16 0.06 5.86 1.04 -1.26 -4.55 113.70 114.03 1l2a s SER 596 Ca 0.44 0.20 -0.27 0.00 0.48 0.00 0.00 55.95 56.80 1l2a s SER 596 Cb -0.26 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.32 1l2a s SER 596 CO 0.32 -0.24 1.19 -0.83 0.98 0.00 0.00 173.24 174.66 1l2a s GLY 597 N -0.60 -0.12 0.06 7.32 0.00 -1.03 -4.17 107.32 108.78 1l2a s GLY 597 Ca -0.07 0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.78 1l2a s GLY 597 CO 0.01 3.10 -0.17 -0.51 0.00 0.00 0.00 173.10 175.54 1l2a s THR 598 N -2.24 1.33 0.57 0.90 -4.23 0.30 -0.66 115.64 111.60 1l2a s THR 598 Ca 0.23 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.36 1l2a s THR 598 Cb -0.00 -1.22 -0.06 0.00 1.34 0.00 0.00 72.50 72.57 1l2a s THR 598 CO 0.01 -0.05 1.01 -0.04 -0.54 0.00 0.00 174.62 175.00 1l2a s MET 599 N -1.50 3.77 0.59 3.99 -1.94 -0.19 -0.74 119.30 123.28 1l2a s MET 599 Ca 0.02 0.84 0.32 0.00 -1.71 0.00 0.00 55.69 55.17 1l2a s MET 599 Cb -0.09 -2.11 1.28 0.00 2.01 0.00 0.00 34.83 35.92 1l2a s MET 599 CO 0.02 -0.42 1.58 -1.35 -0.01 0.00 0.00 175.02 174.84 1l2a h PRO 600 N 0.28 0.00 -0.64 2.03 0.11 -1.89 0.24 132.00 132.13 1l2a h PRO 600 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1l2a h PRO 600 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1l2a h PRO 600 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1l2a n ASN 601 N -3.60 3.71 0.00 -2.05 6.94 -1.26 -4.94 115.26 114.06 1l2a n ASN 601 Ca 0.22 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1l2a n ASN 601 Cb 1.32 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 1l2a n ASN 601 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1l2a n GLY 602 N 1.60 0.88 3.70 4.83 0.00 0.83 -5.05 105.19 111.98 1l2a n GLY 602 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1l2a n GLY 602 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1l2a n ASP 603 N 0.00 2.68 -4.58 1.61 8.00 -1.26 -4.66 116.55 118.35 1l2a n ASP 603 Ca 0.00 1.18 -0.41 0.00 0.71 0.00 0.00 54.79 56.28 1l2a n ASP 603 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 39.54 1l2a n ASP 603 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1l2a s LYS 604 N -1.95 3.77 -0.67 -1.24 1.02 -1.26 -1.02 119.74 118.39 1l2a s LYS 604 Ca 0.57 -0.02 -0.21 0.00 0.02 0.00 0.00 55.97 56.32 1l2a s LYS 604 Cb -0.56 -3.76 0.09 0.00 -0.52 0.00 0.00 37.83 33.08 1l2a s LYS 604 CO 0.61 -0.54 0.92 0.42 -0.92 0.00 0.00 175.35 175.84 1l2a s ILE 605 N 2.34 4.49 0.10 2.17 1.01 0.16 -4.84 121.20 126.63 1l2a s ILE 605 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1l2a s ILE 605 Cb -0.15 -4.65 0.02 0.00 0.01 0.00 0.00 42.46 37.69 1l2a s ILE 605 CO 0.12 -1.38 0.31 0.00 0.00 0.00 0.00 174.94 173.99 1l2a s GLN 606 N 3.58 0.94 0.34 2.79 -2.07 -1.26 -2.47 119.66 121.51 1l2a s GLN 606 Ca 0.21 -0.75 -0.25 0.00 -1.82 0.00 0.00 55.36 52.75 1l2a s GLN 606 Cb -0.17 0.40 -0.14 0.00 -1.09 0.00 0.00 33.01 32.01 1l2a s GLN 606 CO 0.07 -0.34 0.60 -2.30 -1.32 0.00 0.00 175.29 172.01 1l2a n PRO 607 N -0.02 0.56 -0.31 9.60 -0.02 -1.26 -2.70 135.00 140.86 1l2a n PRO 607 Ca -0.16 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1l2a n PRO 607 Cb 0.62 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1l2a n PRO 607 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1l2a n GLY 608 N 1.76 1.08 3.75 -1.23 0.00 -1.26 -5.05 105.19 104.24 1l2a n GLY 608 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1l2a n GLY 608 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1l2a s ILE 609 N -2.82 2.64 0.33 -0.61 -4.36 -1.10 -4.89 121.20 110.38 1l2a s ILE 609 Ca 0.00 0.39 0.08 0.00 -0.26 0.00 0.00 60.65 60.86 1l2a s ILE 609 Cb 0.00 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1l2a s ILE 609 CO 0.00 -0.09 0.20 -0.54 0.24 0.00 0.00 174.94 174.74 1l2a s LYS 610 N -3.38 2.55 0.21 0.37 -0.14 -1.26 -0.99 119.74 117.10 1l2a s LYS 610 Ca 0.77 -1.40 -0.21 0.00 -1.36 0.00 0.00 55.97 53.77 1l2a s LYS 610 Cb -0.30 -2.33 0.16 0.00 -1.68 0.00 0.00 37.83 33.68 1l2a s LYS 610 CO 0.34 0.14 1.55 0.35 -0.76 0.00 0.00 175.35 176.98 1l2a h PHE 611 N 1.44 -1.25 0.00 3.18 3.04 -1.53 0.12 116.94 121.95 1l2a h PHE 611 Ca -0.45 0.11 -0.02 0.00 3.98 0.00 0.00 57.97 61.59 1l2a h PHE 611 Cb 1.25 0.68 -0.00 0.00 2.56 0.00 0.00 35.95 40.44 1l2a h PHE 611 CO 0.59 -0.40 -0.12 0.97 -2.02 0.00 0.00 178.31 177.33 1l2a h ILE 612 N -0.03 0.68 0.00 1.41 6.09 -1.72 -3.16 117.51 120.79 1l2a h ILE 612 Ca 0.29 -0.48 -0.06 0.00 -1.37 0.00 0.00 64.86 63.24 1l2a h ILE 612 Cb 0.56 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1l2a h ILE 612 CO -0.93 0.11 -0.31 0.44 -3.07 0.00 0.00 178.15 174.40 1l2a h ASP 613 N 0.00 0.00 -0.53 2.19 3.32 -1.04 -2.35 116.42 118.01 1l2a h ASP 613 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1l2a h ASP 613 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1l2a h ASP 613 CO 0.02 0.31 0.00 2.30 -1.72 0.00 0.00 179.24 180.14 1l2a n ILE 614 N -3.83 0.90 -3.15 0.35 -5.35 -1.19 -4.45 119.36 102.63 1l2a n ILE 614 Ca -0.01 -0.95 -0.22 0.00 -0.27 0.00 0.00 62.75 61.29 1l2a n ILE 614 Cb 0.39 0.59 -0.04 0.00 -1.74 0.00 0.00 39.64 38.83 1l2a n ILE 614 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1l2a n ARG 615 N 1.19 1.64 0.18 6.28 1.74 -0.89 -4.96 116.66 121.84 1l2a n ARG 615 Ca 0.19 -3.84 0.05 0.00 -0.77 0.00 0.00 57.85 53.47 1l2a n ARG 615 Cb 0.54 -1.81 0.33 0.00 -1.02 0.00 0.00 32.46 30.50 1l2a n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1l2a h THR 616 N 1.86 0.99 0.00 0.55 2.02 -1.78 -2.53 112.91 114.03 1l2a h THR 616 Ca 0.11 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1l2a h THR 616 Cb 0.81 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1l2a h THR 616 CO 0.60 0.39 0.04 0.11 0.37 0.00 0.00 175.52 177.04 1l2a h LYS 617 N 0.00 0.00 0.00 6.66 1.57 -1.93 -1.63 116.57 121.24 1l2a h LYS 617 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1l2a h LYS 617 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1l2a h LYS 617 CO 0.05 0.00 -0.05 1.88 -0.57 0.00 0.00 179.45 180.76 1l2a h TYR 618 N 0.00 0.00 0.00 -1.35 0.05 -1.81 -1.47 116.97 112.40 1l2a h TYR 618 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1l2a h TYR 618 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1l2a h TYR 618 CO 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 178.16 177.16 1l2a h ARG 619 N 0.00 0.00 -0.11 4.88 3.08 -1.52 -2.35 114.38 118.36 1l2a h ARG 619 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1l2a h ARG 619 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1l2a h ARG 619 CO 0.01 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.95 1l2a n GLN 620 N -2.81 1.83 -2.73 0.04 3.00 -0.55 -4.90 117.38 111.25 1l2a n GLN 620 Ca -0.01 -1.22 -0.41 0.00 -0.01 0.00 0.00 57.00 55.35 1l2a n GLN 620 Cb 0.15 -1.45 -0.05 0.00 0.00 0.00 0.00 30.24 28.89 1l2a n GLN 620 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1l2a s ASP 621 N -1.79 7.55 0.58 1.08 -1.08 -0.89 -4.94 116.67 117.19 1l2a s ASP 621 Ca 0.35 1.86 0.32 0.00 -0.52 0.00 0.00 52.55 54.55 1l2a s ASP 621 Cb 0.20 -2.60 1.34 0.00 -1.46 0.00 0.00 42.92 40.40 1l2a s ASP 621 CO 0.30 0.02 1.65 -0.65 0.52 0.00 0.00 175.17 177.01 1l2a h PRO 622 N 5.04 0.00 -0.18 4.34 0.11 -1.93 0.28 132.00 139.66 1l2a h PRO 622 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1l2a h PRO 622 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1l2a h PRO 622 CO 0.70 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 1l2a n TYR 623 N -3.66 0.24 -0.01 0.65 4.02 -1.26 -4.67 117.16 112.46 1l2a n TYR 623 Ca 0.20 -0.31 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 1l2a n TYR 623 Cb 1.20 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 40.45 1l2a n TYR 623 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1l2a h TYR 624 N 1.73 -0.02 -0.52 -0.72 3.20 -1.18 -2.57 116.97 116.89 1l2a h TYR 624 Ca 0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1l2a h TYR 624 Cb 0.58 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1l2a h TYR 624 CO 0.12 -0.03 0.21 -0.44 -1.64 0.00 0.00 178.16 176.39 1l2a h ASP 625 N 0.03 0.26 -0.20 -2.11 3.32 -1.83 0.16 116.42 116.04 1l2a h ASP 625 Ca 0.06 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1l2a h ASP 625 Cb 0.08 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1l2a h ASP 625 CO -0.11 0.18 -0.04 0.40 -1.72 0.00 0.00 179.24 177.94 1l2a h ILE 626 N 0.41 0.80 -0.09 0.35 2.04 -1.80 0.30 117.51 119.53 1l2a h ILE 626 Ca 0.24 -0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.89 1l2a h ILE 626 Cb 0.23 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1l2a h ILE 626 CO -0.22 0.00 -0.79 1.62 0.00 0.00 0.00 178.15 178.76 1l2a h VAL 627 N 0.01 1.34 -0.12 1.67 3.04 -1.20 -1.87 116.25 119.12 1l2a h VAL 627 Ca 0.10 -2.12 -0.03 0.00 -1.01 0.00 0.00 66.70 63.64 1l2a h VAL 627 Cb 0.14 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1l2a h VAL 627 CO -0.20 0.65 -0.03 0.22 -1.01 0.00 0.00 177.57 177.19 1l2a h TYR 628 N 0.37 0.27 -0.48 3.17 3.20 -0.52 -2.21 116.97 120.76 1l2a h TYR 628 Ca -0.05 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1l2a h TYR 628 Cb 1.40 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 1l2a h TYR 628 CO 0.06 0.54 0.24 1.96 -1.64 0.00 0.00 178.16 179.32 1l2a h GLN 629 N -0.09 0.67 -0.96 1.82 1.08 -0.46 -1.77 115.11 115.40 1l2a h GLN 629 Ca 0.03 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1l2a h GLN 629 Cb 0.46 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 1l2a h GLN 629 CO 0.01 0.52 0.60 0.00 -0.95 0.00 0.00 178.83 179.02 1l2a h ALA 630 N 1.59 1.23 -0.51 3.87 0.00 -1.23 -2.62 119.26 121.58 1l2a h ALA 630 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1l2a h ALA 630 Cb 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1l2a h ALA 630 CO -0.02 0.66 0.33 -0.92 0.00 0.00 0.00 179.25 179.29 1l2a h TYR 631 N 1.32 0.65 0.02 0.00 3.20 -0.69 -0.55 116.97 120.92 1l2a h TYR 631 Ca 0.35 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.24 1l2a h TYR 631 Cb -0.09 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1l2a h TYR 631 CO 0.00 0.42 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.79 1l2a h LEU 632 N 0.69 -0.25 0.00 2.82 3.38 -1.25 -0.86 115.31 119.85 1l2a h LEU 632 Ca 0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1l2a h LEU 632 Cb -0.06 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1l2a h LEU 632 CO -0.04 -0.13 0.00 0.54 0.09 0.00 0.00 178.44 178.90 1l2a n ARG 633 N -5.21 0.29 -2.08 1.13 1.74 -1.01 -4.86 116.66 106.67 1l2a n ARG 633 Ca -0.06 0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1l2a n ARG 633 Cb 0.13 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1l2a n ARG 633 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l2a n GLY 634 N -0.07 0.11 3.36 -0.13 0.00 -0.33 -5.03 105.19 103.10 1l2a n GLY 634 Ca 0.08 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1l2a n GLY 634 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l2a s GLU 635 N -4.31 1.35 0.13 1.61 -1.05 -0.27 -5.02 118.70 111.14 1l2a s GLU 635 Ca 0.00 -1.37 -0.31 0.00 -0.15 0.00 0.00 54.97 53.15 1l2a s GLU 635 Cb 0.00 -1.66 -0.08 0.00 -0.44 0.00 0.00 34.13 31.95 1l2a s GLU 635 CO 0.00 0.37 1.30 0.00 0.95 0.00 0.00 175.26 177.88 1l2a s ALA 636 N -1.44 3.50 0.38 -0.84 0.00 -1.26 -3.99 121.76 118.11 1l2a s ALA 636 Ca 0.14 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 1l2a s ALA 636 Cb -0.09 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1l2a s ALA 636 CO 0.07 -0.51 1.18 -1.25 0.00 0.00 0.00 175.76 175.25 1l2a s PRO 637 N 0.62 4.12 -0.21 0.00 0.04 -1.23 -4.76 135.00 133.58 1l2a s PRO 637 Ca 0.60 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 1l2a s PRO 637 Cb -0.34 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1l2a s PRO 637 CO 0.33 -0.27 0.06 0.08 0.04 0.00 0.00 177.00 177.23 1l2a s VAL 638 N -1.36 4.56 0.13 -0.36 1.01 -1.26 -0.89 120.40 122.23 1l2a s VAL 638 Ca 0.55 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.51 1l2a s VAL 638 Cb -0.32 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1l2a s VAL 638 CO 0.40 0.41 -0.20 -0.76 0.00 0.00 0.00 175.10 174.96 1l2a s LEU 639 N 0.89 2.37 -0.28 3.92 1.02 -0.30 -4.95 118.68 121.34 1l2a s LEU 639 Ca 0.04 -0.77 -0.02 0.00 0.02 0.00 0.00 54.13 53.39 1l2a s LEU 639 Cb -0.14 -0.86 0.04 0.00 0.02 0.00 0.00 46.19 45.26 1l2a s LEU 639 CO 0.03 0.01 -0.02 0.20 0.02 0.00 0.00 176.35 176.58 1l2a s ASN 640 N -2.28 4.68 -0.03 2.29 0.01 -1.26 -1.34 114.94 117.00 1l2a s ASN 640 Ca 0.11 -1.11 0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1l2a s ASN 640 Cb -0.08 -1.70 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 1l2a s ASN 640 CO 0.05 -0.21 -0.18 -0.31 -1.51 0.00 0.00 177.10 174.94 1l2a s TYR 641 N 1.28 2.57 -0.81 2.20 4.12 -1.25 -4.85 117.35 120.61 1l2a s TYR 641 Ca -0.03 -0.26 0.02 0.00 0.02 0.00 0.00 57.07 56.82 1l2a s TYR 641 Cb -0.19 -1.57 0.21 0.00 -1.52 0.00 0.00 41.96 38.89 1l2a s TYR 641 CO -0.02 0.13 0.69 0.72 0.02 0.00 0.00 175.55 177.09 1l2a n HIS 642 N 2.25 3.75 -2.36 2.71 8.25 -1.26 -1.69 115.22 126.87 1l2a n HIS 642 Ca -0.17 -4.16 -0.41 0.00 -0.26 0.00 0.00 57.72 52.72 1l2a n HIS 642 Cb 0.52 -0.89 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 1l2a n HIS 642 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1l2a s ARG 643 N -1.57 4.51 0.12 -0.41 0.52 -1.26 -1.81 118.95 119.05 1l2a s ARG 643 Ca 0.28 1.90 -0.22 0.00 -0.52 0.00 0.00 55.73 57.18 1l2a s ARG 643 Cb -0.04 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.17 1l2a s ARG 643 CO -0.13 -0.04 1.70 0.35 0.02 0.00 0.00 175.30 177.20 1l2a h PHE 644 N 4.74 -0.18 0.00 -0.53 3.57 -1.57 -2.23 116.94 120.74 1l2a h PHE 644 Ca -0.45 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1l2a h PHE 644 Cb 1.21 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1l2a h PHE 644 CO 0.61 -0.12 -0.08 0.11 -2.23 0.00 0.00 178.31 176.60 1l2a h TRP 645 N -0.08 0.00 -0.09 0.41 5.08 -1.90 -2.10 115.95 117.27 1l2a h TRP 645 Ca 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.03 1l2a h TRP 645 Cb 0.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.34 1l2a h TRP 645 CO -0.19 0.08 0.01 0.45 -1.28 0.00 0.00 178.44 177.50 1l2a h HIS 646 N 0.00 0.16 -0.47 0.12 3.86 -1.79 -1.56 115.15 115.47 1l2a h HIS 646 Ca -0.00 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1l2a h HIS 646 Cb 0.28 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1l2a h HIS 646 CO 0.00 0.37 0.29 0.93 0.86 0.00 0.00 177.93 180.38 1l2a h GLU 647 N -0.10 0.57 -0.08 2.45 4.39 -1.19 -2.36 114.58 118.26 1l2a h GLU 647 Ca 0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1l2a h GLU 647 Cb 0.30 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1l2a h GLU 647 CO 0.00 0.37 -0.02 0.28 -1.16 0.00 0.00 179.01 178.49 1l2a h VAL 648 N 0.58 1.28 -0.45 3.13 2.07 -1.40 0.15 116.25 121.63 1l2a h VAL 648 Ca 0.18 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1l2a h VAL 648 Cb -0.02 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1l2a h VAL 648 CO -0.07 0.25 0.30 0.44 0.02 0.00 0.00 177.57 178.51 1l2a h ASP 649 N -0.17 0.43 -0.02 0.57 3.32 -1.25 0.63 116.42 119.93 1l2a h ASP 649 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1l2a h ASP 649 Cb 0.41 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1l2a h ASP 649 CO 0.01 0.30 -0.03 0.25 -1.72 0.00 0.00 179.24 178.04 1l2a h LEU 650 N 0.50 0.06 0.02 1.55 5.85 -1.26 -2.49 115.31 119.54 1l2a h LEU 650 Ca 0.18 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1l2a h LEU 650 Cb 0.10 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1l2a h LEU 650 CO -0.04 0.62 -0.29 0.00 -0.34 0.00 0.00 178.44 178.39 1l2a h ALA 651 N 0.44 -0.42 -0.97 1.25 0.00 0.51 -2.08 119.26 117.98 1l2a h ALA 651 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1l2a h ALA 651 Cb 0.62 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1l2a h ALA 651 CO 0.01 -0.80 0.62 0.28 0.00 0.00 0.00 179.25 179.35 1l2a h VAL 652 N -0.45 1.04 -0.51 0.00 2.07 0.14 0.54 116.25 119.07 1l2a h VAL 652 Ca 0.06 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1l2a h VAL 652 Cb 0.52 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1l2a h VAL 652 CO -0.23 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.74 1l2a h ALA 653 N 1.46 0.63 -0.83 1.67 0.00 -1.06 0.11 119.26 121.24 1l2a h ALA 653 Ca 0.43 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.53 1l2a h ALA 653 Cb 0.24 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1l2a h ALA 653 CO -0.20 -0.22 0.45 0.52 0.00 0.00 0.00 179.25 179.81 1l2a h MET 654 N 0.36 0.69 -0.24 0.00 2.86 -0.25 -1.97 114.93 116.38 1l2a h MET 654 Ca 0.25 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1l2a h MET 654 Cb 0.27 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1l2a h MET 654 CO -0.26 0.46 -0.29 0.78 1.06 0.00 0.00 176.91 178.65 1l2a h GLY 655 N 0.71 0.52 0.79 8.32 0.00 -0.09 -1.28 103.07 112.04 1l2a h GLY 655 Ca 0.42 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1l2a h GLY 655 CO -0.30 0.41 -0.03 -2.08 0.00 0.00 0.00 176.54 174.55 1l2a h VAL 656 N 0.42 1.28 -0.71 4.60 2.07 -0.30 -0.01 116.25 123.59 1l2a h VAL 656 Ca 0.06 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.71 1l2a h VAL 656 Cb 0.73 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 1l2a h VAL 656 CO 0.06 0.29 0.36 -0.07 0.02 0.00 0.00 177.57 178.22 1l2a h LEU 657 N 0.05 0.49 -1.53 2.57 4.07 -1.29 -0.63 115.31 119.03 1l2a h LEU 657 Ca 0.05 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1l2a h LEU 657 Cb 0.45 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1l2a h LEU 657 CO 0.01 0.28 -0.21 0.00 -1.08 0.00 0.00 178.44 177.45 1l2a h ALA 658 N 1.42 1.21 0.03 1.53 0.00 -0.93 0.43 119.26 122.95 1l2a h ALA 658 Ca 0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1l2a h ALA 658 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1l2a h ALA 658 CO -0.25 0.26 -0.54 1.15 0.00 0.00 0.00 179.25 179.87 1l2a h THR 659 N 0.00 1.48 0.00 0.00 2.02 -0.06 -3.31 112.91 113.04 1l2a h THR 659 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1l2a h THR 659 Cb 0.53 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1l2a h THR 659 CO 0.03 0.56 -1.70 -1.22 0.37 0.00 0.00 175.52 173.55 1l2a n TYR 660 N -4.44 0.17 -3.08 3.16 4.02 -0.33 -4.50 117.16 112.15 1l2a n TYR 660 Ca -0.17 0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.54 1l2a n TYR 660 Cb 0.61 -0.53 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 1l2a n TYR 660 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1l2a n PHE 661 N -2.24 2.09 0.20 -0.72 3.72 0.14 -4.97 117.46 115.68 1l2a n PHE 661 Ca -0.02 -3.91 0.10 0.00 -0.05 0.00 0.00 57.45 53.57 1l2a n PHE 661 Cb 0.54 -0.46 0.53 0.00 -0.94 0.00 0.00 39.48 39.16 1l2a n PHE 661 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1l2a n PRO 662 N 0.10 0.14 0.00 -1.08 -0.04 -1.23 -1.18 135.00 131.70 1l2a n PRO 662 Ca 0.28 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.43 1l2a n PRO 662 Cb 0.52 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1l2a n PRO 662 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l2a n ASP 663 N -2.20 1.29 -4.84 3.54 8.00 -1.26 -4.95 116.55 116.13 1l2a n ASP 663 Ca -0.01 -1.10 -0.31 0.00 0.71 0.00 0.00 54.79 54.08 1l2a n ASP 663 Cb 0.07 0.73 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1l2a n ASP 663 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1l2a s MET 664 N -2.81 3.25 -0.10 -1.24 -1.94 -0.32 -5.07 119.30 111.06 1l2a s MET 664 Ca 0.12 0.88 -0.11 0.00 -1.71 0.00 0.00 55.69 54.87 1l2a s MET 664 Cb 0.17 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 35.01 1l2a s MET 664 CO 0.75 -0.85 0.31 0.99 -0.01 0.00 0.00 175.02 176.21 1l2a s THR 665 N -3.07 0.01 0.42 2.05 2.01 -1.26 -3.91 115.64 111.89 1l2a s THR 665 Ca 0.57 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.26 1l2a s THR 665 Cb -0.13 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 1l2a s THR 665 CO 0.53 -0.04 1.16 -0.47 -0.69 0.00 0.00 174.62 175.11 1l2a s TYR 666 N -0.04 3.00 0.04 4.92 5.04 0.73 -4.85 117.35 126.18 1l2a s TYR 666 Ca -0.02 1.55 -0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1l2a s TYR 666 Cb -0.03 -3.37 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 1l2a s TYR 666 CO 0.01 -1.34 -0.04 -1.59 -1.34 0.00 0.00 175.55 171.25 1l2a s LYS 667 N -2.47 0.47 0.21 4.97 0.00 -1.26 0.11 119.74 121.77 1l2a s LYS 667 Ca 0.60 -0.90 -0.31 0.00 0.00 0.00 0.00 55.97 55.35 1l2a s LYS 667 Cb -0.29 0.11 -0.11 0.00 0.00 0.00 0.00 37.83 37.53 1l2a s LYS 667 CO 0.36 -0.07 1.64 0.54 0.00 0.00 0.00 175.35 177.83 1l2a s VAL 668 N -2.54 2.24 -2.00 1.79 0.11 -1.26 -4.95 120.40 113.79 1l2a s VAL 668 Ca -0.05 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1l2a s VAL 668 Cb -0.02 -3.11 0.17 0.00 -1.53 0.00 0.00 36.38 31.88 1l2a s VAL 668 CO -0.05 0.02 0.82 -2.65 -3.33 0.00 0.00 175.10 169.91