#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bga h LYS 24 N 0.00 0.20 -6.51 3.23 1.79 -2.12 -3.44 116.57 109.71 3bga h LYS 24 Ca 0.00 -0.21 -0.65 0.00 -2.18 0.00 0.00 60.65 57.61 3bga h LYS 24 Cb 0.00 0.06 -0.26 0.00 -1.58 0.00 0.00 32.23 30.45 3bga h LYS 24 CO 0.00 0.94 -0.87 -0.65 -1.08 0.00 0.00 179.45 177.79 3bga s GLN 25 N -3.24 1.63 0.70 3.15 1.11 -1.26 -5.13 119.66 116.62 3bga s GLN 25 Ca -0.03 -1.06 -0.15 0.00 0.01 0.00 0.00 55.36 54.13 3bga s GLN 25 Cb 0.10 -1.80 0.02 0.00 -1.01 0.00 0.00 33.01 30.32 3bga s GLN 25 CO 0.83 0.46 1.15 -2.14 0.01 0.00 0.00 175.29 175.60 3bga s PRO 26 N -1.27 2.47 0.68 2.91 0.02 -1.26 -5.00 135.00 133.55 3bga s PRO 26 Ca 0.10 1.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 3bga s PRO 26 Cb -0.10 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.54 3bga s PRO 26 CO 0.02 -1.54 1.10 -0.51 -0.33 0.00 0.00 177.00 175.74 3bga s LEU 27 N -5.03 3.31 0.89 -5.54 1.02 -1.26 -4.99 118.68 107.08 3bga s LEU 27 Ca 0.70 1.91 -0.11 0.00 0.02 0.00 0.00 54.13 56.66 3bga s LEU 27 Cb -0.24 -4.54 0.13 0.00 0.02 0.00 0.00 46.19 41.55 3bga s LEU 27 CO 0.43 -1.64 1.11 -2.16 0.02 0.00 0.00 176.35 174.11 3bga s PRO 28 N -4.33 1.29 0.38 1.29 0.04 -1.26 -4.87 135.00 127.54 3bga s PRO 28 Ca 0.65 1.27 0.17 0.00 0.04 0.00 0.00 61.00 63.12 3bga s PRO 28 Cb -0.19 -1.78 1.09 0.00 0.04 0.00 0.00 34.50 33.66 3bga s PRO 28 CO 0.45 -2.35 1.73 0.93 0.04 0.00 0.00 177.00 177.80 3bga h GLU 29 N -1.65 0.38 0.00 4.56 3.07 -1.96 -0.61 114.58 118.37 3bga h GLU 29 Ca -0.46 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3bga h GLU 29 Cb 1.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3bga h GLU 29 CO 0.47 0.25 0.00 -2.67 -1.40 0.00 0.00 179.01 175.67 3bga n TRP 30 N -4.75 0.00 -0.20 4.33 4.27 -1.26 -1.86 117.44 117.98 3bga n TRP 30 Ca 0.28 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.96 3bga n TRP 30 Cb 0.93 0.00 0.19 0.00 -1.36 0.00 0.00 31.31 31.07 3bga n TRP 30 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3bga n GLN 31 N -1.00 2.78 -5.03 -2.67 1.13 -0.24 -1.25 117.38 111.11 3bga n GLN 31 Ca 0.11 -2.17 -0.30 0.00 -1.94 0.00 0.00 57.00 52.70 3bga n GLN 31 Cb 0.05 -1.34 -0.17 0.00 0.11 0.00 0.00 30.24 28.89 3bga n GLN 31 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3bga s SER 32 N -1.01 2.68 0.00 1.08 0.15 -0.77 -4.37 113.70 111.46 3bga s SER 32 Ca 0.29 -0.47 0.19 0.00 0.70 0.00 0.00 55.95 56.66 3bga s SER 32 Cb 0.15 -1.15 0.98 0.00 -1.71 0.00 0.00 66.02 64.29 3bga s SER 32 CO 0.20 0.13 1.60 0.00 1.20 0.00 0.00 173.24 176.37 3bga n GLN 33 N 3.52 0.28 -0.04 5.44 0.00 -1.26 -2.91 117.38 122.41 3bga n GLN 33 Ca -0.20 0.10 -0.10 0.00 0.00 0.00 0.00 57.00 56.80 3bga n GLN 33 Cb 0.53 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.12 3bga n GLN 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3bga n TYR 34 N -1.28 0.75 -1.23 2.61 4.01 -1.26 -4.46 117.16 116.30 3bga n TYR 34 Ca 0.09 0.26 -0.36 0.00 -0.16 0.00 0.00 57.90 57.73 3bga n TYR 34 Cb 0.15 -1.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.02 3bga n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bga n ALA 35 N -2.66 5.51 0.12 -0.72 0.00 -1.15 -4.58 120.51 117.04 3bga n ALA 35 Ca -0.23 -3.16 0.01 0.00 0.00 0.00 0.00 53.44 50.06 3bga n ALA 35 Cb 1.08 -3.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 3bga n ALA 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3bga h VAL 36 N 3.64 0.91 -1.61 0.00 -1.51 -1.83 -3.41 116.25 112.44 3bga h VAL 36 Ca 0.62 -2.32 0.21 0.00 -1.23 0.00 0.00 66.70 63.98 3bga h VAL 36 Cb 0.41 2.43 -0.19 0.00 -2.13 0.00 0.00 31.29 31.81 3bga h VAL 36 CO 1.76 0.52 0.74 -0.83 -1.23 0.00 0.00 177.57 178.53 3bga s GLY 37 N -4.52 -0.30 -0.13 5.19 0.00 -1.26 -0.59 107.32 105.71 3bga s GLY 37 Ca 0.03 1.59 -0.07 0.00 0.00 0.00 0.00 44.72 46.27 3bga s GLY 37 CO 0.76 0.57 0.32 -2.27 0.00 0.00 0.00 173.10 172.47 3bga s LEU 38 N -2.09 0.25 -2.01 0.66 2.96 -1.04 -4.89 118.68 112.52 3bga s LEU 38 Ca 0.08 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3bga s LEU 38 Cb -0.01 1.01 0.00 0.00 0.50 0.00 0.00 46.19 47.69 3bga s LEU 38 CO -0.05 -0.17 0.00 0.59 -1.32 0.00 0.00 176.35 175.40 3bga n ASN 39 N 4.12 -5.27 -4.92 3.68 3.02 -1.26 -3.86 115.26 110.76 3bga n ASN 39 Ca -0.23 0.39 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 3bga n ASN 39 Cb 0.54 -4.62 0.01 0.00 -0.61 0.00 0.00 39.78 35.10 3bga n ASN 39 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bga s LYS 40 N -3.94 3.28 0.43 3.52 1.02 -1.26 -4.67 119.74 118.12 3bga s LYS 40 Ca 0.00 -0.00 -0.24 0.00 0.02 0.00 0.00 55.97 55.75 3bga s LYS 40 Cb 0.00 -2.39 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 3bga s LYS 40 CO 0.00 -0.34 1.16 -0.51 -0.92 0.00 0.00 175.35 174.74 3bga s LEU 41 N -4.76 4.10 0.51 3.17 1.02 -0.19 -4.98 118.68 117.55 3bga s LEU 41 Ca 0.49 2.31 -0.22 0.00 0.02 0.00 0.00 54.13 56.73 3bga s LEU 41 Cb -0.10 -4.14 -0.06 0.00 0.02 0.00 0.00 46.19 41.91 3bga s LEU 41 CO 0.43 -0.78 1.29 0.00 0.02 0.00 0.00 176.35 177.31 3bga s ALA 42 N -1.49 2.88 0.23 4.21 0.00 -1.26 -4.78 121.76 121.55 3bga s ALA 42 Ca 0.60 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 53.43 3bga s ALA 42 Cb -0.29 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.19 3bga s ALA 42 CO 0.36 -1.11 1.42 -2.30 0.00 0.00 0.00 175.76 174.13 3bga n PRO 43 N -0.82 2.02 -3.84 0.00 -0.02 -1.26 -4.96 135.00 126.11 3bga n PRO 43 Ca 0.09 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 3bga n PRO 43 Cb 0.46 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3bga n PRO 43 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3bga s HIS 44 N 0.04 0.13 0.50 6.00 -3.43 -1.26 -4.92 115.29 112.35 3bga s HIS 44 Ca 0.69 -0.48 -0.19 0.00 -0.80 0.00 0.00 55.06 54.28 3bga s HIS 44 Cb -0.66 0.16 -0.08 0.00 -1.43 0.00 0.00 32.58 30.57 3bga s HIS 44 CO 0.48 -0.80 1.02 -0.08 -2.00 0.00 0.00 174.74 173.36 3bga s THR 45 N -3.91 3.94 0.19 -5.38 -1.32 -1.05 -3.68 115.64 104.42 3bga s THR 45 Ca 0.12 1.14 -0.33 0.00 -1.21 0.00 0.00 61.69 61.42 3bga s THR 45 Cb 0.01 -3.48 -0.13 0.00 -1.51 0.00 0.00 72.50 67.39 3bga s THR 45 CO -0.02 -0.32 1.62 -1.22 -2.21 0.00 0.00 174.62 172.47 3bga n TYR 46 N -1.12 2.46 -2.61 9.09 4.01 -1.26 -4.77 117.16 122.97 3bga n TYR 46 Ca 0.09 0.19 -0.19 0.00 -0.16 0.00 0.00 57.90 57.83 3bga n TYR 46 Cb 0.53 -2.59 0.01 0.00 -0.31 0.00 0.00 39.34 36.98 3bga n TYR 46 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3bga n VAL 47 N 3.51 1.73 -1.75 -0.72 0.24 -1.26 -4.94 118.33 115.14 3bga n VAL 47 Ca 0.16 -4.20 -0.42 0.00 -2.04 0.00 0.00 64.34 57.84 3bga n VAL 47 Cb 0.31 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 3bga n VAL 47 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3bga s TRP 48 N -3.31 2.89 0.13 6.34 0.51 -1.26 -4.94 118.94 119.28 3bga s TRP 48 Ca 0.39 0.46 -0.30 0.00 -2.12 0.00 0.00 56.10 54.53 3bga s TRP 48 Cb 0.41 -4.11 -0.06 0.00 -0.81 0.00 0.00 33.47 28.90 3bga s TRP 48 CO -0.09 -4.10 0.97 -1.25 -0.51 0.00 0.00 176.95 171.97 3bga s PRO 49 N 0.82 4.71 0.37 4.98 0.04 -1.26 -4.61 135.00 140.05 3bga s PRO 49 Ca 0.72 1.47 0.08 0.00 0.04 0.00 0.00 61.00 63.31 3bga s PRO 49 Cb -0.49 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 3bga s PRO 49 CO 0.35 0.24 0.21 0.71 0.04 0.00 0.00 177.00 178.55 3bga s TYR 50 N -0.13 2.71 0.00 0.56 2.02 0.18 -4.58 117.35 118.11 3bga s TYR 50 Ca 0.46 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3bga s TYR 50 Cb -0.24 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3bga s TYR 50 CO 0.30 0.20 0.00 0.00 -1.57 0.00 0.00 175.55 174.48 3bga n ALA 51 N -1.27 1.95 -3.99 3.71 0.00 -1.26 -4.19 120.51 115.45 3bga n ALA 51 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3bga n ALA 51 Cb 0.62 0.25 -0.15 0.00 0.00 0.00 0.00 19.45 20.18 3bga n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bga s ASP 52 N -2.97 4.76 0.62 0.00 2.15 -1.26 -4.97 116.67 115.00 3bga s ASP 52 Ca 0.00 -2.24 0.28 0.00 0.43 0.00 0.00 52.55 51.01 3bga s ASP 52 Cb 0.00 -1.65 1.43 0.00 -0.30 0.00 0.00 42.92 42.41 3bga s ASP 52 CO 0.00 -0.38 1.84 0.00 -0.17 0.00 0.00 175.17 176.46 3bga h ALA 53 N 7.52 1.96 0.00 3.66 0.00 -1.97 0.76 119.26 131.19 3bga h ALA 53 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3bga h ALA 53 Cb 1.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3bga h ALA 53 CO 0.55 -0.67 -0.00 1.03 0.00 0.00 0.00 179.25 180.17 3bga h SER 54 N 0.00 0.00 0.80 0.00 0.87 -2.03 -1.85 113.55 111.34 3bga h SER 54 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3bga h SER 54 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3bga h SER 54 CO -0.00 0.00 -0.14 0.47 -0.53 0.00 0.00 176.83 176.62 3bga n ASP 55 N -3.56 0.17 -0.00 6.23 8.00 0.26 -4.11 116.55 123.53 3bga n ASP 55 Ca -0.03 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 3bga n ASP 55 Cb 0.08 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 3bga n ASP 55 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3bga h ILE 56 N 0.04 0.99 0.00 0.53 2.04 -1.51 -2.30 117.51 117.30 3bga h ILE 56 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3bga h ILE 56 Cb 0.48 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3bga h ILE 56 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.78 3bga n GLY 57 N -1.13 -0.75 3.43 5.37 0.00 -1.26 -4.70 105.19 106.15 3bga n GLY 57 Ca -0.05 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3bga n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 58 N -2.00 3.60 0.14 1.61 1.02 -0.87 -5.06 119.74 118.18 3bga s LYS 58 Ca 0.03 -0.51 -0.35 0.00 0.02 0.00 0.00 55.97 55.16 3bga s LYS 58 Cb 0.01 -3.18 -0.15 0.00 -0.52 0.00 0.00 37.83 33.99 3bga s LYS 58 CO 0.02 -0.11 1.44 -2.30 -0.92 0.00 0.00 175.35 173.48 3bga n PRO 59 N 4.63 1.66 -0.83 -1.68 -0.02 -1.26 0.16 135.00 137.65 3bga n PRO 59 Ca -0.17 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3bga n PRO 59 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3bga n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bga n GLY 60 N 2.85 0.33 0.37 -1.23 0.00 -1.26 -4.87 105.19 101.38 3bga n GLY 60 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3bga n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bga h GLY 61 N 0.00 1.53 1.25 -0.02 0.00 -0.47 -1.53 103.07 103.82 3bga h GLY 61 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.03 3bga h GLY 61 CO 0.00 -0.00 0.34 0.10 0.00 0.00 0.00 176.54 176.98 3bga h TYR 62 N 0.73 0.00 0.00 5.60 -0.00 -1.79 -0.25 116.97 121.25 3bga h TYR 62 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.26 3bga h TYR 62 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.61 3bga h TYR 62 CO -0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 3bga h GLU 63 N 0.00 0.00 -0.14 0.10 5.08 -1.68 -2.76 114.58 115.18 3bga h GLU 63 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3bga h GLU 63 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3bga h GLU 63 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3bga n GLN 64 N -2.63 1.80 -2.54 2.33 3.00 -0.11 -4.89 117.38 114.34 3bga n GLN 64 Ca 0.02 -1.19 -0.38 0.00 -0.01 0.00 0.00 57.00 55.44 3bga n GLN 64 Cb 0.30 -1.43 -0.04 0.00 0.00 0.00 0.00 30.24 29.07 3bga n GLN 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3bga s SER 65 N -1.69 7.06 0.00 1.08 0.15 -1.04 -4.92 113.70 114.34 3bga s SER 65 Ca 0.34 2.12 0.17 0.00 0.70 0.00 0.00 55.95 59.28 3bga s SER 65 Cb 0.19 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.70 3bga s SER 65 CO 0.29 -0.28 1.50 -0.81 1.20 0.00 0.00 173.24 175.13 3bga n PRO 66 N 0.60 0.17 -0.63 5.44 -0.04 -1.26 -1.72 135.00 137.55 3bga n PRO 66 Ca 0.02 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 3bga n PRO 66 Cb 0.47 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.79 3bga n PRO 66 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bga n TYR 67 N -1.34 1.52 -4.57 0.54 4.01 -1.26 -5.00 117.16 111.05 3bga n TYR 67 Ca 0.07 -0.63 -0.28 0.00 -0.16 0.00 0.00 57.90 56.90 3bga n TYR 67 Cb 0.15 -0.27 -0.08 0.00 -0.31 0.00 0.00 39.34 38.83 3bga n TYR 67 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3bga s TYR 68 N -1.98 1.78 0.05 -0.72 5.04 -0.70 -1.62 117.35 119.20 3bga s TYR 68 Ca 0.51 -1.28 0.03 0.00 -2.44 0.00 0.00 57.07 53.89 3bga s TYR 68 Cb 0.34 -1.22 -0.03 0.00 0.35 0.00 0.00 41.96 41.40 3bga s TYR 68 CO 0.23 -0.25 -0.10 0.45 -1.34 0.00 0.00 175.55 174.54 3bga s SER 70 N -3.68 1.13 -0.06 4.32 0.15 -1.26 -4.79 113.70 109.51 3bga s SER 70 Ca 0.18 -0.56 0.09 0.00 0.70 0.00 0.00 55.95 56.36 3bga s SER 70 Cb 0.01 0.00 0.13 0.00 -1.71 0.00 0.00 66.02 64.46 3bga s SER 70 CO 0.12 -0.15 1.06 0.18 1.20 0.00 0.00 173.24 175.65 3bga n LEU 71 N 1.43 2.08 -4.67 3.45 4.77 -0.13 -4.86 117.00 119.07 3bga n LEU 71 Ca -0.22 -2.43 -0.29 0.00 -0.03 0.00 0.00 56.01 53.04 3bga n LEU 71 Cb 0.54 -0.20 0.18 0.00 -2.33 0.00 0.00 43.42 41.61 3bga n LEU 71 CO 0.21 0.58 0.64 0.20 -1.33 0.00 0.00 177.39 177.69 3bga s ASN 72 N -1.83 2.64 0.00 -1.43 0.01 -1.22 -4.87 114.94 108.24 3bga s ASN 72 Ca 0.15 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 3bga s ASN 72 Cb 0.13 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.86 3bga s ASN 72 CO 0.01 -3.13 0.00 0.61 -1.51 0.00 0.00 177.10 173.08 3bga n GLY 73 N -0.98 0.26 3.66 0.66 0.00 0.40 -4.95 105.19 104.24 3bga n GLY 73 Ca 0.05 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3bga n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 74 N -0.29 4.24 0.09 1.61 -0.14 -1.26 -0.61 119.74 123.39 3bga s LYS 74 Ca 0.00 0.84 0.10 0.00 -1.36 0.00 0.00 55.97 55.54 3bga s LYS 74 Cb 0.00 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 3bga s LYS 74 CO 0.00 -0.33 -0.25 -1.58 -0.76 0.00 0.00 175.35 172.44 3bga s TRP 75 N 2.17 2.14 0.31 3.18 0.52 -0.63 -4.93 118.94 121.70 3bga s TRP 75 Ca 0.34 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.77 3bga s TRP 75 Cb -0.16 -1.20 -0.10 0.00 -1.15 0.00 0.00 33.47 30.86 3bga s TRP 75 CO 0.11 0.23 1.21 0.15 0.02 0.00 0.00 176.95 178.67 3bga s LYS 76 N -1.73 4.48 0.02 4.98 -0.14 0.74 -0.78 119.74 127.31 3bga s LYS 76 Ca 0.11 2.03 0.01 0.00 -1.36 0.00 0.00 55.97 56.76 3bga s LYS 76 Cb -0.10 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 3bga s LYS 76 CO 0.04 -0.01 -0.04 0.12 -0.76 0.00 0.00 175.35 174.69 3bga s PHE 77 N -1.16 0.39 -0.07 3.18 5.36 -0.37 -1.58 117.98 123.72 3bga s PHE 77 Ca 0.47 -0.35 -0.04 0.00 -0.96 0.00 0.00 56.93 56.06 3bga s PHE 77 Cb -0.36 -0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.11 3bga s PHE 77 CO 0.47 -0.09 0.17 1.21 -1.46 0.00 0.00 175.22 175.53 3bga s ASN 78 N -1.00 -0.15 -0.03 6.13 3.84 -0.61 -3.66 114.94 119.46 3bga s ASN 78 Ca -0.08 0.35 0.06 0.00 0.21 0.00 0.00 52.86 53.41 3bga s ASN 78 Cb -0.07 0.25 -0.01 0.00 -0.55 0.00 0.00 41.25 40.87 3bga s ASN 78 CO -0.00 -0.15 -0.22 0.86 -2.79 0.00 0.00 177.10 174.81 3bga s TRP 79 N 1.11 1.99 0.02 0.43 -0.00 -1.26 0.26 118.94 121.49 3bga s TRP 79 Ca -0.08 -0.43 -0.11 0.00 -0.00 0.00 0.00 56.10 55.47 3bga s TRP 79 Cb -0.10 -1.29 0.01 0.00 -0.00 0.00 0.00 33.47 32.08 3bga s TRP 79 CO -0.06 -0.08 0.23 0.14 -0.00 0.00 0.00 176.95 177.18 3bga s VAL 80 N -0.40 0.08 -0.16 5.86 -7.23 -0.90 -5.01 120.40 112.65 3bga s VAL 80 Ca 0.05 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.44 3bga s VAL 80 Cb -0.10 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3bga s VAL 80 CO 0.00 -0.38 0.13 -0.75 -0.31 0.00 0.00 175.10 173.79 3bga s LYS 81 N -1.92 3.81 0.00 4.82 2.20 -1.26 -1.30 119.74 126.09 3bga s LYS 81 Ca -0.10 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 3bga s LYS 81 Cb -0.04 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3bga s LYS 81 CO -0.00 0.54 0.00 -1.71 -0.36 0.00 0.00 175.35 173.82 3bga n ASN 82 N 2.74 -1.43 -0.31 1.43 2.85 0.34 -4.73 115.26 116.16 3bga n ASN 82 Ca -0.18 0.00 0.21 0.00 -0.11 0.00 0.00 54.58 54.50 3bga n ASN 82 Cb 0.54 -0.71 0.49 0.00 1.24 0.00 0.00 39.78 41.33 3bga n ASN 82 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3bga h PRO 83 N 0.00 0.43 -0.00 1.20 0.11 -1.74 0.26 132.00 132.26 3bga h PRO 83 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3bga h PRO 83 Cb 0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 3bga h PRO 83 CO 0.00 0.29 0.01 -0.44 -0.21 0.00 0.00 178.00 177.65 3bga h ASP 84 N 0.44 0.00 0.10 -2.05 3.32 -1.91 -1.66 116.42 114.66 3bga h ASP 84 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 3bga h ASP 84 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3bga h ASP 84 CO -0.28 0.00 -0.20 0.59 -1.72 0.00 0.00 179.24 177.63 3bga n ASN 85 N -3.25 1.52 -4.80 6.45 5.03 0.93 -4.97 115.26 116.16 3bga n ASN 85 Ca -0.03 -1.27 -0.31 0.00 0.87 0.00 0.00 54.58 53.84 3bga n ASN 85 Cb 0.09 0.15 0.05 0.00 -1.02 0.00 0.00 39.78 39.05 3bga n ASN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bga s ARG 86 N -2.32 2.83 -0.96 3.52 1.70 -0.63 -4.95 118.95 118.14 3bga s ARG 86 Ca 0.27 1.05 -0.22 0.00 -0.47 0.00 0.00 55.73 56.36 3bga s ARG 86 Cb 0.20 -1.97 0.08 0.00 -0.57 0.00 0.00 34.95 32.68 3bga s ARG 86 CO 0.46 -1.19 1.32 -1.25 -1.08 0.00 0.00 175.30 173.56 3bga s PRO 87 N -4.87 3.55 0.21 3.89 0.04 -1.26 -4.91 135.00 131.66 3bga s PRO 87 Ca 0.60 -1.27 -0.11 0.00 0.04 0.00 0.00 61.00 60.26 3bga s PRO 87 Cb -0.15 -5.11 0.27 0.00 0.04 0.00 0.00 34.50 29.54 3bga s PRO 87 CO 0.53 -2.05 1.67 0.87 0.04 0.00 0.00 177.00 178.06 3bga h LYS 88 N 9.50 0.13 -0.18 4.56 1.57 -1.93 -2.76 116.57 127.46 3bga h LYS 88 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3bga h LYS 88 Cb 1.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3bga h LYS 88 CO 1.31 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 180.03 3bga n ASP 89 N -5.24 1.24 -0.23 0.86 8.00 -1.26 -4.39 116.55 115.52 3bga n ASP 89 Ca 0.08 -1.79 0.31 0.00 0.71 0.00 0.00 54.79 54.10 3bga n ASP 89 Cb 0.33 -0.11 0.73 0.00 -0.02 0.00 0.00 41.12 42.05 3bga n ASP 89 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3bga h PHE 90 N 1.50 0.00 0.00 1.24 -5.15 -1.90 0.36 116.94 112.99 3bga h PHE 90 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3bga h PHE 90 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 3bga h PHE 90 CO 0.11 0.00 0.00 0.10 -2.00 0.00 0.00 178.31 176.52 3bga h TYR 91 N 0.00 0.00 -3.10 6.09 -0.00 -1.85 -3.44 116.97 114.68 3bga h TYR 91 Ca 0.47 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.66 3bga h TYR 91 Cb 1.91 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.64 3bga h TYR 91 CO 0.00 0.00 0.66 -0.65 -0.00 0.00 0.00 178.16 178.17 3bga s GLN 92 N -3.64 4.37 0.44 0.10 -0.21 0.11 -3.45 119.66 117.39 3bga s GLN 92 Ca 0.01 1.79 0.22 0.00 0.02 0.00 0.00 55.36 57.40 3bga s GLN 92 Cb 0.09 -3.45 1.21 0.00 1.00 0.00 0.00 33.01 31.86 3bga s GLN 92 CO 0.51 -0.38 1.82 -1.35 -2.12 0.00 0.00 175.29 173.77 3bga h PRO 93 N 7.20 0.28 0.00 2.91 0.11 -1.86 0.20 132.00 140.83 3bga h PRO 93 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3bga h PRO 93 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3bga h PRO 93 CO 0.85 0.19 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 3bga h SER 94 N 0.29 0.00 -3.37 -2.05 4.64 -1.93 -3.44 113.55 107.68 3bga h SER 94 Ca 0.53 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.32 3bga h SER 94 Cb 1.53 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.68 3bga h SER 94 CO -0.18 0.00 0.77 -0.47 -0.87 0.00 0.00 176.83 176.08 3bga s TYR 95 N -3.28 3.00 -0.29 4.77 5.04 0.69 -4.96 117.35 122.30 3bga s TYR 95 Ca 0.06 1.01 -0.22 0.00 -2.44 0.00 0.00 57.07 55.47 3bga s TYR 95 Cb 0.10 -3.84 -0.00 0.00 0.35 0.00 0.00 41.96 38.57 3bga s TYR 95 CO 0.48 -2.73 0.73 -0.47 -1.34 0.00 0.00 175.55 172.22 3bga s TYR 96 N -0.00 3.22 -0.88 4.97 5.04 -1.26 -4.92 117.35 123.52 3bga s TYR 96 Ca 0.60 0.78 0.09 0.00 -2.44 0.00 0.00 57.07 56.09 3bga s TYR 96 Cb -0.42 -3.10 0.19 0.00 0.35 0.00 0.00 41.96 38.98 3bga s TYR 96 CO 0.44 -0.50 1.06 0.25 -1.34 0.00 0.00 175.55 175.46 3bga n THR 97 N 5.44 0.66 0.10 4.34 -2.24 -1.26 -4.67 114.28 116.65 3bga n THR 97 Ca 0.02 -0.83 0.20 0.00 -2.27 0.00 0.00 64.05 61.17 3bga n THR 97 Cb 0.48 0.73 0.76 0.00 -2.10 0.00 0.00 70.33 70.20 3bga n THR 97 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bga h GLY 98 N 1.68 0.00 0.23 3.38 0.00 -2.00 0.14 103.07 106.49 3bga h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bga h GLY 98 CO 0.00 0.00 -0.07 0.61 0.00 0.00 0.00 176.54 177.08 3bga n GLY 99 N -1.49 -0.50 3.90 4.60 0.00 -1.26 -4.90 105.19 105.55 3bga n GLY 99 Ca 0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3bga n GLY 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bga s TRP 100 N -2.20 3.58 0.70 1.61 0.52 0.48 -5.10 118.94 118.54 3bga s TRP 100 Ca 0.35 0.94 -0.07 0.00 0.02 0.00 0.00 56.10 57.34 3bga s TRP 100 Cb 0.21 -2.41 0.15 0.00 -1.15 0.00 0.00 33.47 30.27 3bga s TRP 100 CO 0.41 -0.38 0.96 0.00 0.02 0.00 0.00 176.95 177.96 3bga n ALA 101 N -2.37 -0.51 -2.55 0.98 0.00 -1.24 -4.86 120.51 109.97 3bga n ALA 101 Ca 0.02 -1.55 -0.27 0.00 0.00 0.00 0.00 53.44 51.65 3bga n ALA 101 Cb 0.55 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 3bga n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bga s ASP 102 N -4.70 4.12 0.05 0.00 1.01 -1.26 -1.24 116.67 114.65 3bga s ASP 102 Ca 0.59 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.23 3bga s ASP 102 Cb -0.02 -0.65 -0.03 0.00 1.01 0.00 0.00 42.92 43.23 3bga s ASP 102 CO 0.40 0.10 -0.06 -0.51 0.21 0.00 0.00 175.17 175.32 3bga s ILE 103 N -1.72 0.42 0.09 0.77 2.07 0.04 -4.83 121.20 118.03 3bga s ILE 103 Ca 0.24 -1.23 -0.25 0.00 -1.41 0.00 0.00 60.65 58.01 3bga s ILE 103 Cb -0.09 -0.76 -0.06 0.00 0.13 0.00 0.00 42.46 41.68 3bga s ILE 103 CO 0.14 -0.55 0.76 0.20 -1.91 0.00 0.00 174.94 173.59 3bga s ASN 104 N -1.89 7.27 -0.11 4.50 0.02 -1.26 -1.61 114.94 121.86 3bga s ASN 104 Ca -0.07 1.51 0.03 0.00 -1.02 0.00 0.00 52.86 53.31 3bga s ASN 104 Cb -0.06 -2.47 0.01 0.00 0.02 0.00 0.00 41.25 38.75 3bga s ASN 104 CO -0.02 0.10 -0.19 -0.69 0.02 0.00 0.00 177.10 176.32 3bga s VAL 105 N -0.50 1.75 0.76 1.60 1.01 0.22 -4.07 120.40 121.17 3bga s VAL 105 Ca 0.37 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3bga s VAL 105 Cb -0.21 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.71 3bga s VAL 105 CO 0.24 0.49 1.08 -2.16 0.00 0.00 0.00 175.10 174.75 3bga s PRO 106 N 0.73 1.85 0.00 2.72 0.04 -1.26 -0.45 135.00 138.63 3bga s PRO 106 Ca -0.11 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.60 3bga s PRO 106 Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3bga s PRO 106 CO 0.02 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.97 3bga n GLY 107 N -3.10 3.48 3.67 0.56 0.00 0.10 -4.99 105.19 104.91 3bga n GLY 107 Ca 0.10 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 3bga n GLY 107 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bga n ASN 108 N 0.00 2.50 0.28 1.61 4.13 -1.17 -4.49 115.26 118.11 3bga n ASN 108 Ca 0.00 1.17 0.15 0.00 1.68 0.00 0.00 54.58 57.59 3bga n ASN 108 Cb 0.00 -1.42 0.78 0.00 -1.54 0.00 0.00 39.78 37.60 3bga n ASN 108 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 3bga h TRP 109 N 3.24 0.00 0.00 3.10 0.09 -1.73 -2.56 115.95 118.09 3bga h TRP 109 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.52 3bga h TRP 109 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.53 3bga h TRP 109 CO 0.53 0.08 -0.08 0.93 0.09 0.00 0.00 178.44 179.99 3bga h GLU 110 N 0.00 0.00 -0.63 0.12 3.07 -1.80 -1.00 114.58 114.34 3bga h GLU 110 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3bga h GLU 110 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3bga h GLU 110 CO 0.01 0.08 0.00 0.54 -1.40 0.00 0.00 179.01 178.24 3bga n ARG 111 N -3.41 3.13 -1.23 2.33 5.12 -0.96 -3.94 116.66 117.69 3bga n ARG 111 Ca -0.01 -2.32 0.04 0.00 -1.93 0.00 0.00 57.85 53.62 3bga n ARG 111 Cb 0.23 -1.74 0.09 0.00 -1.16 0.00 0.00 32.46 29.88 3bga n ARG 111 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3bga n GLN 112 N 0.94 0.71 -1.03 5.56 6.02 -0.42 -4.96 117.38 124.20 3bga n GLN 112 Ca 0.21 -2.57 -0.01 0.00 -0.01 0.00 0.00 57.00 54.62 3bga n GLN 112 Cb 0.72 -0.69 -0.00 0.00 1.02 0.00 0.00 30.24 31.29 3bga n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 113 N -0.15 0.47 3.29 1.08 0.00 -1.22 -5.05 105.19 103.62 3bga n GLY 113 Ca 0.12 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 3bga n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bga s TYR 114 N -2.02 2.06 0.00 1.61 1.51 -0.95 -5.04 117.35 114.52 3bga s TYR 114 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 3bga s TYR 114 Cb 0.00 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 3bga s TYR 114 CO 0.00 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 3bga n GLY 115 N 1.94 1.82 2.99 0.71 0.00 -1.26 -3.39 105.19 107.99 3bga n GLY 115 Ca -0.17 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 3bga n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bga s THR 116 N 0.00 -0.39 0.15 2.61 2.01 -1.26 -4.97 115.64 113.79 3bga s THR 116 Ca 0.00 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3bga s THR 116 Cb 0.00 -0.43 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 3bga s THR 116 CO 0.00 0.12 1.25 0.00 -0.69 0.00 0.00 174.62 175.30 3bga s ALA 117 N 2.39 3.47 -0.04 7.40 0.00 -1.26 -4.99 121.76 128.73 3bga s ALA 117 Ca 0.01 0.99 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3bga s ALA 117 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3bga s ALA 117 CO -0.08 -0.45 -0.13 0.42 0.00 0.00 0.00 175.76 175.51 3bga s ILE 118 N 0.36 1.11 -0.21 0.00 1.01 -1.20 -4.62 121.20 117.64 3bga s ILE 118 Ca 0.56 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3bga s ILE 118 Cb -0.33 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3bga s ILE 118 CO 0.35 0.33 -0.15 -0.47 0.00 0.00 0.00 174.94 175.00 3bga s TYR 119 N 0.13 2.87 0.12 3.97 5.04 -1.26 0.16 117.35 128.38 3bga s TYR 119 Ca -0.04 -1.88 0.03 0.00 -2.44 0.00 0.00 57.07 52.74 3bga s TYR 119 Cb -0.10 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 3bga s TYR 119 CO 0.01 -0.82 -0.08 0.14 -1.34 0.00 0.00 175.55 173.47 3bga s VAL 120 N 1.25 0.86 0.00 3.14 -7.23 -1.26 -1.48 120.40 115.67 3bga s VAL 120 Ca -0.01 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3bga s VAL 120 Cb -0.16 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3bga s VAL 120 CO -0.09 -0.81 0.00 -3.20 -0.31 0.00 0.00 175.10 170.69 3bga n ASN 121 N -0.11 0.00 -0.62 4.85 5.15 -1.26 -4.72 115.26 118.55 3bga n ASN 121 Ca -0.11 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.91 3bga n ASN 121 Cb 0.61 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.99 3bga n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3bga n GLU 122 N -0.33 1.82 -4.52 1.20 1.02 -1.26 -4.25 120.64 114.32 3bga n GLU 122 Ca 0.00 -1.03 -0.24 0.00 -0.02 0.00 0.00 57.16 55.86 3bga n GLU 122 Cb 0.00 -1.34 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 3bga n GLU 122 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bga s THR 123 N -1.64 1.64 -0.19 2.62 -4.23 -1.26 -2.74 115.64 109.84 3bga s THR 123 Ca 0.19 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 3bga s THR 123 Cb 0.11 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3bga s THR 123 CO 0.11 -0.06 0.38 -0.31 -0.54 0.00 0.00 174.62 174.20 3bga s TYR 124 N -2.98 3.40 0.50 3.99 1.51 -1.26 -4.85 117.35 117.65 3bga s TYR 124 Ca 0.35 0.63 0.20 0.00 -1.01 0.00 0.00 57.07 57.23 3bga s TYR 124 Cb 0.08 -2.49 1.32 0.00 -0.11 0.00 0.00 41.96 40.75 3bga s TYR 124 CO 0.16 0.05 2.11 1.05 -1.11 0.00 0.00 175.55 177.81 3bga h GLU 125 N 7.20 0.00 0.00 -0.62 9.09 -1.98 -1.15 114.58 127.12 3bga h GLU 125 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 3bga h GLU 125 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3bga h GLU 125 CO 0.73 0.08 0.00 1.97 0.05 0.00 0.00 179.01 181.83 3bga n PHE 126 N -4.20 0.00 -2.60 2.06 1.16 -1.26 -4.12 117.46 108.50 3bga n PHE 126 Ca -0.03 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.12 3bga n PHE 126 Cb 0.16 -0.50 0.00 0.00 -1.61 0.00 0.00 39.48 37.54 3bga n PHE 126 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3bga n ASP 127 N -1.50 5.18 -3.60 5.98 2.03 -0.43 -4.44 116.55 119.77 3bga n ASP 127 Ca 0.07 -3.07 -0.16 0.00 0.52 0.00 0.00 54.79 52.15 3bga n ASP 127 Cb 0.32 -1.51 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 3bga n ASP 127 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3bga s ASP 128 N 1.52 -0.48 0.00 1.67 2.15 -0.95 -4.85 116.67 115.74 3bga s ASP 128 Ca 0.40 0.45 -0.00 0.00 0.43 0.00 0.00 52.55 53.83 3bga s ASP 128 Cb 0.05 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 43.11 3bga s ASP 128 CO 0.01 -0.57 0.72 2.29 -0.17 0.00 0.00 175.17 177.44 3bga n LYS 129 N 0.97 0.15 0.00 4.34 2.85 -1.26 -2.90 118.16 122.31 3bga n LYS 129 Ca -0.20 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 3bga n LYS 129 Cb 0.57 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 3bga n LYS 129 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3bga n PHE 131 N 2.93 0.00 -3.86 5.58 3.01 -1.26 -4.63 117.46 119.24 3bga n PHE 131 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 3bga n PHE 131 Cb 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 3bga n PHE 131 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3bga n ASN 132 N 0.00 -5.03 -3.89 4.37 3.02 -1.14 -4.80 115.26 107.78 3bga n ASN 132 Ca 0.00 -0.74 -0.10 0.00 -0.03 0.00 0.00 54.58 53.71 3bga n ASN 132 Cb 0.00 -4.09 -0.10 0.00 -0.61 0.00 0.00 39.78 34.98 3bga n ASN 132 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3bga s PHE 133 N -3.31 0.10 -0.04 3.10 5.36 -1.16 -5.07 117.98 116.97 3bga s PHE 133 Ca 0.64 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.36 3bga s PHE 133 Cb -0.31 -0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.28 3bga s PHE 133 CO 0.81 -0.32 -0.14 0.15 -1.46 0.00 0.00 175.22 174.25 3bga s LYS 134 N -1.90 1.53 0.27 10.12 1.02 -1.26 -2.23 119.74 127.29 3bga s LYS 134 Ca -0.11 -0.51 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 3bga s LYS 134 Cb -0.05 -1.35 -0.15 0.00 -0.52 0.00 0.00 37.83 35.76 3bga s LYS 134 CO -0.01 0.19 0.89 0.36 -0.92 0.00 0.00 175.35 175.86 3bga n LYS 135 N 3.22 1.02 -2.70 1.68 2.85 -1.26 -4.93 118.16 118.03 3bga n LYS 135 Ca -0.18 0.36 -0.05 0.00 -1.05 0.00 0.00 58.31 57.38 3bga n LYS 135 Cb 0.53 -1.64 0.05 0.00 -0.65 0.00 0.00 35.03 33.33 3bga n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3bga n ASN 136 N 1.40 -2.00 -4.48 -5.58 5.15 -1.26 -5.12 115.26 103.38 3bga n ASN 136 Ca 0.12 -2.10 -0.52 0.00 -0.60 0.00 0.00 54.58 51.48 3bga n ASN 136 Cb 0.30 1.12 -0.05 0.00 -0.53 0.00 0.00 39.78 40.62 3bga n ASN 136 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3bga n PRO 137 N 1.98 0.27 -0.32 1.20 -0.02 -1.26 -1.79 135.00 135.07 3bga n PRO 137 Ca 0.08 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 3bga n PRO 137 Cb 0.66 -1.39 0.29 0.00 -0.02 0.00 0.00 33.50 33.04 3bga n PRO 137 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3bga n PRO 138 N 1.32 2.59 -2.38 0.52 -0.04 -1.26 -5.11 135.00 130.64 3bga n PRO 138 Ca 0.18 -2.45 -0.37 0.00 -0.04 0.00 0.00 63.50 60.82 3bga n PRO 138 Cb 0.19 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3bga n PRO 138 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bga s LEU 139 N -1.12 4.10 0.23 1.53 1.43 -0.74 -3.85 118.68 120.26 3bga s LEU 139 Ca 0.45 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.80 3bga s LEU 139 Cb 0.24 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 3bga s LEU 139 CO 0.32 -0.70 -0.03 0.68 0.23 0.00 0.00 176.35 176.85 3bga s VAL 140 N -1.56 1.19 0.69 -1.59 -7.23 -1.26 -4.37 120.40 106.26 3bga s VAL 140 Ca 0.60 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 3bga s VAL 140 Cb -0.26 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3bga s VAL 140 CO 0.33 -0.38 0.95 -2.65 -0.31 0.00 0.00 175.10 173.04 3bga n PRO 141 N -0.42 0.62 -0.02 4.82 -0.02 -1.26 -4.99 135.00 133.73 3bga n PRO 141 Ca -0.06 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 3bga n PRO 141 Cb 0.63 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3bga n PRO 141 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bga n PHE 142 N -2.28 0.00 0.28 6.00 7.35 -1.26 -4.14 117.46 123.41 3bga n PHE 142 Ca 0.13 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.97 3bga n PHE 142 Cb 0.49 -0.14 0.84 0.00 0.35 0.00 0.00 39.48 41.02 3bga n PHE 142 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bga h ALA 143 N -1.47 1.38 -0.01 3.13 0.00 -1.95 -2.07 119.26 118.27 3bga h ALA 143 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bga h ALA 143 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bga h ALA 143 CO 0.00 0.07 -0.61 0.39 0.00 0.00 0.00 179.25 179.10 3bga n GLU 144 N -3.70 0.47 -1.92 0.00 4.71 -1.26 -3.16 120.64 115.78 3bga n GLU 144 Ca -0.02 -0.35 -0.34 0.00 -0.01 0.00 0.00 57.16 56.43 3bga n GLU 144 Cb 0.16 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 29.13 3bga n GLU 144 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3bga s ASN 145 N -2.77 5.18 -0.02 1.62 3.84 -0.78 -4.67 114.94 117.34 3bga s ASN 145 Ca 0.15 2.19 0.01 0.00 0.21 0.00 0.00 52.86 55.41 3bga s ASN 145 Cb 0.17 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 38.26 3bga s ASN 145 CO 0.69 -1.59 -0.01 -1.61 -2.79 0.00 0.00 177.10 171.78 3bga s GLU 146 N -3.66 2.79 -0.18 0.43 2.02 -1.26 -0.51 118.70 118.33 3bga s GLU 146 Ca 0.72 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.14 3bga s GLU 146 Cb -0.25 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.35 3bga s GLU 146 CO 0.36 0.64 -0.15 0.08 0.02 0.00 0.00 175.26 176.21 3bga s VAL 147 N -1.01 1.77 -0.37 2.63 1.01 -0.42 -1.53 120.40 122.49 3bga s VAL 147 Ca 0.17 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3bga s VAL 147 Cb -0.11 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3bga s VAL 147 CO 0.08 0.39 0.19 -0.83 0.00 0.00 0.00 175.10 174.93 3bga s GLY 148 N 1.39 1.92 -0.43 4.51 0.00 0.10 -2.11 107.32 112.69 3bga s GLY 148 Ca 0.03 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.87 3bga s GLY 148 CO -0.11 0.83 0.53 -0.56 0.00 0.00 0.00 173.10 173.79 3bga s SER 149 N 1.54 6.25 -0.10 1.64 0.01 0.14 -1.26 113.70 121.93 3bga s SER 149 Ca 0.02 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 3bga s SER 149 Cb -0.19 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 3bga s SER 149 CO 0.06 -0.67 0.04 -0.31 0.41 0.00 0.00 173.24 172.76 3bga s TYR 150 N 2.43 3.26 -0.26 2.43 2.02 0.25 -1.57 117.35 125.91 3bga s TYR 150 Ca 0.16 0.25 -0.21 0.00 -0.37 0.00 0.00 57.07 56.91 3bga s TYR 150 Cb -0.16 -1.84 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 3bga s TYR 150 CO 0.16 0.50 0.67 0.50 -1.57 0.00 0.00 175.55 175.81 3bga s ARG 151 N -0.82 0.75 0.10 -0.62 3.52 -0.62 -0.94 118.95 120.32 3bga s ARG 151 Ca 0.13 1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 56.63 3bga s ARG 151 Cb -0.12 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.58 3bga s ARG 151 CO 0.03 -0.11 0.25 -0.98 -0.81 0.00 0.00 175.30 173.67 3bga s ARG 152 N 0.75 0.91 0.18 5.12 1.70 -0.90 -0.18 118.95 126.53 3bga s ARG 152 Ca -0.03 -0.89 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 3bga s ARG 152 Cb -0.05 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 3bga s ARG 152 CO -0.05 -0.31 0.30 0.99 -1.08 0.00 0.00 175.30 175.14 3bga s THR 153 N -3.85 5.25 -0.01 4.99 2.01 -1.26 -1.87 115.64 120.91 3bga s THR 153 Ca 0.05 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.95 3bga s THR 153 Cb 0.04 -3.76 0.10 0.00 0.01 0.00 0.00 72.50 68.89 3bga s THR 153 CO -0.11 -0.17 0.82 0.72 -0.69 0.00 0.00 174.62 175.18 3bga s PHE 154 N -1.82 -0.44 0.07 4.92 -0.12 -0.44 -4.97 117.98 115.18 3bga s PHE 154 Ca 0.34 0.46 0.08 0.00 -0.05 0.00 0.00 56.93 57.76 3bga s PHE 154 Cb -0.10 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 3bga s PHE 154 CO 0.28 -0.58 -0.17 0.15 -0.05 0.00 0.00 175.22 174.85 3bga s LYS 155 N -2.55 1.97 -0.05 1.99 1.02 -1.26 -0.84 119.74 120.02 3bga s LYS 155 Ca 0.00 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 54.76 3bga s LYS 155 Cb -0.01 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3bga s LYS 155 CO -0.05 0.51 0.48 0.08 -0.92 0.00 0.00 175.35 175.46 3bga s VAL 156 N -1.03 5.05 0.24 3.17 1.01 -1.26 -5.03 120.40 122.55 3bga s VAL 156 Ca 0.16 0.98 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 3bga s VAL 156 Cb -0.11 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 3bga s VAL 156 CO 0.08 0.44 1.53 -2.65 0.00 0.00 0.00 175.10 174.50 3bga n PRO 157 N 2.76 2.36 -0.30 2.72 -0.02 -1.26 -4.86 135.00 136.41 3bga n PRO 157 Ca -0.10 0.84 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3bga n PRO 157 Cb 0.52 -2.58 0.40 0.00 -0.02 0.00 0.00 33.50 31.82 3bga n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bga h ALA 158 N 4.97 1.91 0.00 3.55 0.00 -2.01 0.73 119.26 128.41 3bga h ALA 158 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3bga h ALA 158 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3bga h ALA 158 CO 0.81 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 179.59 3bga n ASP 159 N -4.61 0.00 -0.92 0.00 8.00 -1.26 -2.35 116.55 115.41 3bga n ASP 159 Ca 0.20 -0.65 0.12 0.00 0.71 0.00 0.00 54.79 55.18 3bga n ASP 159 Cb 0.59 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.89 3bga n ASP 159 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3bga n TRP 160 N -0.90 0.14 -1.70 1.24 7.02 0.25 -4.91 117.44 118.57 3bga n TRP 160 Ca 0.10 -0.07 -0.43 0.00 -1.02 0.00 0.00 57.50 56.09 3bga n TRP 160 Cb 0.05 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.91 3bga n TRP 160 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 3bga n LYS 161 N 1.18 2.74 0.00 -0.99 4.81 -0.99 -1.78 118.16 123.13 3bga n LYS 161 Ca 0.16 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 3bga n LYS 161 Cb 0.56 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.74 3bga n LYS 161 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bga n GLY 162 N 4.09 2.45 3.93 3.14 0.00 -1.26 -5.04 105.19 112.50 3bga n GLY 162 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3bga n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 163 N -0.42 2.94 0.11 1.61 0.52 -0.73 -4.73 118.95 118.24 3bga s ARG 163 Ca 0.00 -0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 3bga s ARG 163 Cb 0.00 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 33.05 3bga s ARG 163 CO 0.00 -0.59 0.92 0.50 0.02 0.00 0.00 175.30 176.16 3bga s ARG 164 N -4.86 4.67 -0.04 3.54 3.52 0.11 -4.92 118.95 120.97 3bga s ARG 164 Ca 0.52 1.38 0.06 0.00 -0.13 0.00 0.00 55.73 57.57 3bga s ARG 164 Cb -0.10 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3bga s ARG 164 CO 0.43 0.25 -0.23 0.08 -0.81 0.00 0.00 175.30 175.02 3bga s VAL 165 N -0.09 1.85 -0.04 7.11 1.01 -1.26 -1.12 120.40 127.86 3bga s VAL 165 Ca 0.45 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3bga s VAL 165 Cb -0.23 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3bga s VAL 165 CO 0.29 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 175.02 3bga s VAL 166 N -0.25 1.61 -0.21 2.92 1.01 0.30 -1.46 120.40 124.32 3bga s VAL 166 Ca 0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 3bga s VAL 166 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3bga s VAL 166 CO 0.02 0.46 0.43 -0.22 0.00 0.00 0.00 175.10 175.78 3bga s LEU 167 N -0.11 4.14 -0.14 3.92 2.96 0.28 -2.08 118.68 127.66 3bga s LEU 167 Ca -0.02 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3bga s LEU 167 Cb -0.11 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.04 3bga s LEU 167 CO 0.02 -0.11 -0.17 0.00 -1.32 0.00 0.00 176.35 174.77 3bga h GLU 170 N 8.03 0.21 -0.67 0.00 4.39 -1.47 -0.66 114.58 124.40 3bga h GLU 170 Ca -0.19 -0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.70 3bga h GLU 170 Cb 1.06 -0.04 -0.28 0.00 -0.10 0.00 0.00 28.75 29.39 3bga h GLU 170 CO 0.59 0.25 0.52 0.20 -1.16 0.00 0.00 179.01 179.41 3bga s GLY 171 N -3.99 0.27 -0.02 -3.84 0.00 -1.26 -2.75 107.32 95.72 3bga s GLY 171 Ca -0.06 3.55 0.01 0.00 0.00 0.00 0.00 44.72 48.23 3bga s GLY 171 CO 0.71 3.12 -0.05 0.14 0.00 0.00 0.00 173.10 177.02 3bga s VAL 172 N 1.78 0.47 -0.11 1.40 1.01 -1.23 -0.77 120.40 122.95 3bga s VAL 172 Ca -0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3bga s VAL 172 Cb -0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3bga s VAL 172 CO -0.15 0.17 0.16 -0.51 0.00 0.00 0.00 175.10 174.77 3bga s ILE 173 N 0.33 5.47 0.00 2.22 2.07 -0.54 -4.03 121.20 126.73 3bga s ILE 173 Ca -0.04 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 3bga s ILE 173 Cb -0.08 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 39.09 3bga s ILE 173 CO -0.00 0.61 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 3bga n SER 174 N 2.00 0.00 -4.19 4.50 2.88 -1.26 -4.09 113.62 113.46 3bga n SER 174 Ca -0.19 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.21 3bga n SER 174 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3bga n SER 174 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3bga s PHE 175 N 0.00 1.05 -0.13 0.66 5.36 -1.13 -4.12 117.98 119.68 3bga s PHE 175 Ca 0.00 -0.74 -0.29 0.00 -0.96 0.00 0.00 56.93 54.94 3bga s PHE 175 Cb 0.00 -0.57 0.08 0.00 -0.34 0.00 0.00 43.02 42.19 3bga s PHE 175 CO 0.00 -0.02 0.77 1.52 -1.46 0.00 0.00 175.22 176.03 3bga s TYR 176 N -2.90 -0.62 0.04 10.12 -0.85 -1.18 -0.84 117.35 121.13 3bga s TYR 176 Ca 0.09 1.19 0.00 0.00 -0.52 0.00 0.00 57.07 57.84 3bga s TYR 176 Cb 0.00 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3bga s TYR 176 CO -0.01 -0.50 0.14 0.71 -1.52 0.00 0.00 175.55 174.38 3bga s TYR 177 N -0.79 3.38 -0.03 -3.49 1.51 -0.89 -2.33 117.35 114.71 3bga s TYR 177 Ca -0.06 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3bga s TYR 177 Cb -0.01 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3bga s TYR 177 CO 0.06 0.57 -0.08 0.54 -1.11 0.00 0.00 175.55 175.53 3bga s VAL 178 N -1.39 0.77 0.06 0.71 0.11 -0.78 -1.78 120.40 118.10 3bga s VAL 178 Ca 0.30 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 3bga s VAL 178 Cb -0.13 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 3bga s VAL 178 CO 0.22 0.25 -0.14 0.26 -3.33 0.00 0.00 175.10 172.36 3bga s TRP 179 N 0.41 1.25 -0.06 1.54 0.51 -0.23 -0.34 118.94 122.00 3bga s TRP 179 Ca -0.07 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.51 3bga s TRP 179 Cb -0.11 -0.72 0.02 0.00 -0.81 0.00 0.00 33.47 31.86 3bga s TRP 179 CO 0.01 0.06 -0.06 0.08 -0.51 0.00 0.00 176.95 176.53 3bga s VAL 180 N -1.10 0.70 -1.47 4.03 1.01 -0.94 -0.26 120.40 122.37 3bga s VAL 180 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3bga s VAL 180 Cb -0.09 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.65 3bga s VAL 180 CO 0.02 0.28 0.75 0.59 0.00 0.00 0.00 175.10 176.73 3bga n ASN 181 N 4.30 -4.36 0.00 3.32 3.02 0.22 -1.26 115.26 120.51 3bga n ASN 181 Ca -0.20 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3bga n ASN 181 Cb 0.51 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3bga n ASN 181 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bga n GLY 182 N -1.45 1.60 3.59 7.41 0.00 -1.22 -4.79 105.19 110.33 3bga n GLY 182 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3bga n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 183 N -0.01 3.93 -0.13 1.61 1.02 -0.39 -4.87 119.74 120.91 3bga s LYS 183 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 3bga s LYS 183 Cb 0.00 -3.67 -0.06 0.00 -0.52 0.00 0.00 37.83 33.58 3bga s LYS 183 CO 0.00 -0.20 2.05 -1.17 -0.92 0.00 0.00 175.35 175.12 3bga s LEU 184 N 1.77 3.85 0.01 3.17 2.96 -1.26 -2.21 118.68 126.97 3bga s LEU 184 Ca 0.07 2.12 -0.18 0.00 -0.22 0.00 0.00 54.13 55.93 3bga s LEU 184 Cb -0.16 -3.52 -0.34 0.00 0.50 0.00 0.00 46.19 42.67 3bga s LEU 184 CO 0.11 -1.56 0.98 -0.07 -1.32 0.00 0.00 176.35 174.49 3bga h LEU 185 N 13.09 0.72 0.00 -0.68 3.38 -1.05 -3.49 115.31 127.28 3bga h LEU 185 Ca -0.43 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.62 3bga h LEU 185 Cb 1.23 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3bga h LEU 185 CO 0.96 1.59 0.00 0.61 0.09 0.00 0.00 178.44 181.69 3bga n GLY 186 N 1.65 -0.39 3.60 0.83 0.00 -1.20 -4.52 105.19 105.17 3bga n GLY 186 Ca -0.15 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 3bga n GLY 186 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bga s TYR 187 N -3.90 0.59 -0.04 1.61 -0.85 -1.25 -1.87 117.35 111.64 3bga s TYR 187 Ca 0.00 -0.97 -0.24 0.00 -0.52 0.00 0.00 57.07 55.34 3bga s TYR 187 Cb 0.00 0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.63 3bga s TYR 187 CO 0.00 -1.19 0.53 1.21 -1.52 0.00 0.00 175.55 174.58 3bga s ASN 188 N -3.12 -0.47 0.03 -0.18 2.47 -0.98 -2.51 114.94 110.18 3bga s ASN 188 Ca 0.24 0.46 0.05 0.00 0.42 0.00 0.00 52.86 54.02 3bga s ASN 188 Cb -0.02 0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 40.21 3bga s ASN 188 CO 0.14 -0.54 -0.13 -1.10 -3.72 0.00 0.00 177.10 171.75 3bga s GLN 189 N -1.24 0.92 0.00 0.43 -0.21 0.24 -3.10 119.66 116.70 3bga s GLN 189 Ca -0.12 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.56 3bga s GLN 189 Cb -0.02 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 33.08 3bga s GLN 189 CO 0.08 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 3bga n GLY 190 N 2.03 1.17 0.13 3.09 0.00 -1.26 -4.85 105.19 105.50 3bga n GLY 190 Ca -0.18 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.19 3bga n GLY 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bga n SER 191 N 0.00 0.76 -0.56 1.61 3.41 -1.26 -4.37 113.62 113.21 3bga n SER 191 Ca 0.00 -0.58 0.07 0.00 -0.26 0.00 0.00 58.87 58.09 3bga n SER 191 Cb 0.00 0.17 0.17 0.00 -0.26 0.00 0.00 64.21 64.29 3bga n SER 191 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bga n LYS 192 N -1.04 2.66 -4.01 4.33 4.76 -1.26 -3.57 118.16 120.02 3bga n LYS 192 Ca 0.09 -2.38 -0.08 0.00 -2.87 0.00 0.00 58.31 53.07 3bga n LYS 192 Cb 0.34 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.92 3bga n LYS 192 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3bga s THR 193 N -2.03 0.15 0.50 -0.18 -4.23 -1.25 -4.35 115.64 104.25 3bga s THR 193 Ca 0.29 -1.18 -0.22 0.00 -1.18 0.00 0.00 61.69 59.40 3bga s THR 193 Cb 0.22 -0.64 -0.06 0.00 1.34 0.00 0.00 72.50 73.36 3bga s THR 193 CO 0.09 -0.65 1.21 0.00 -0.54 0.00 0.00 174.62 174.74 3bga s ALA 194 N -2.19 2.87 -0.13 3.99 0.00 -1.11 -4.49 121.76 120.69 3bga s ALA 194 Ca -0.09 1.03 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3bga s ALA 194 Cb -0.05 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3bga s ALA 194 CO -0.04 -0.89 -0.21 0.00 0.00 0.00 0.00 175.76 174.62 3bga s ALA 195 N -1.51 2.15 0.10 0.00 0.00 -0.25 -4.98 121.76 117.27 3bga s ALA 195 Ca 0.68 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.68 3bga s ALA 195 Cb -0.31 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3bga s ALA 195 CO 0.37 -0.03 -0.19 -1.21 0.00 0.00 0.00 175.76 174.70 3bga s GLU 196 N 0.83 1.08 0.00 0.00 2.02 -1.26 -1.66 118.70 119.71 3bga s GLU 196 Ca -0.07 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 53.78 3bga s GLU 196 Cb -0.15 -1.27 -0.00 0.00 0.10 0.00 0.00 34.13 32.80 3bga s GLU 196 CO -0.02 0.29 -0.03 -1.58 0.02 0.00 0.00 175.26 173.95 3bga s TRP 197 N -1.29 0.22 -0.38 1.61 0.51 -0.53 -1.03 118.94 118.06 3bga s TRP 197 Ca 0.06 -0.11 -0.26 0.00 -2.12 0.00 0.00 56.10 53.68 3bga s TRP 197 Cb -0.09 -0.14 0.02 0.00 -0.81 0.00 0.00 33.47 32.44 3bga s TRP 197 CO 0.04 -0.02 0.92 0.34 -0.51 0.00 0.00 176.95 177.72 3bga s ASP 198 N -0.26 6.65 -0.01 2.95 -1.08 -1.26 -0.56 116.67 123.10 3bga s ASP 198 Ca -0.01 0.51 0.11 0.00 -0.52 0.00 0.00 52.55 52.64 3bga s ASP 198 Cb -0.02 -2.46 0.32 0.00 -1.46 0.00 0.00 42.92 39.30 3bga s ASP 198 CO -0.00 -0.88 1.27 2.30 0.52 0.00 0.00 175.17 178.38 3bga n ILE 199 N 6.03 1.05 -0.29 4.11 -5.35 -0.53 -4.73 119.36 119.64 3bga n ILE 199 Ca 0.07 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 3bga n ILE 199 Cb 0.48 0.47 0.07 0.00 -1.74 0.00 0.00 39.64 38.92 3bga n ILE 199 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3bga h THR 200 N 2.07 0.13 0.00 7.28 2.02 -1.87 -1.23 112.91 121.31 3bga h THR 200 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3bga h THR 200 Cb 0.76 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3bga h THR 200 CO 0.01 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.34 3bga h ASP 201 N -0.04 0.00 0.00 4.18 3.32 -1.92 -3.14 116.42 118.82 3bga h ASP 201 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3bga h ASP 201 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3bga h ASP 201 CO -0.84 0.00 -0.99 1.33 -1.72 0.00 0.00 179.24 177.01 3bga n VAL 202 N -2.54 0.00 -2.18 -1.35 0.24 -0.50 -4.96 118.33 107.05 3bga n VAL 202 Ca 0.02 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.34 61.93 3bga n VAL 202 Cb 0.27 0.97 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 3bga n VAL 202 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bga s LEU 203 N -3.01 3.71 0.07 1.34 1.43 -1.00 -4.80 118.68 116.43 3bga s LEU 203 Ca 0.07 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 3bga s LEU 203 Cb 0.15 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3bga s LEU 203 CO 0.84 -1.32 -0.05 -0.94 0.23 0.00 0.00 176.35 175.10 3bga s SER 204 N -1.78 0.84 0.86 2.29 1.04 -1.26 -5.06 113.70 110.63 3bga s SER 204 Ca 0.73 -0.96 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 3bga s SER 204 Cb -0.25 0.13 0.11 0.00 0.10 0.00 0.00 66.02 66.11 3bga s SER 204 CO 0.29 -0.50 1.14 -1.61 0.98 0.00 0.00 173.24 173.54 3bga s GLU 205 N -3.65 1.44 4.24 4.02 2.02 -1.26 -4.71 118.70 120.81 3bga s GLU 205 Ca 0.08 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.54 3bga s GLU 205 Cb 0.05 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.50 3bga s GLU 205 CO -0.06 -2.30 0.00 0.41 0.02 0.00 0.00 175.26 173.33 3bga n GLY 206 N -0.15 0.86 3.69 -1.39 0.00 -1.26 -4.80 105.19 102.14 3bga n GLY 206 Ca 0.11 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3bga n GLY 206 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bga s GLU 207 N 0.00 4.31 0.19 1.61 2.12 -1.26 -4.45 118.70 121.21 3bga s GLU 207 Ca 0.00 1.84 0.08 0.00 0.36 0.00 0.00 54.97 57.24 3bga s GLU 207 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 3bga s GLU 207 CO 0.00 -0.54 -0.01 -0.80 -0.54 0.00 0.00 175.26 173.38 3bga s ASN 208 N 1.75 4.71 -0.07 -1.70 0.01 -0.02 -4.92 114.94 114.69 3bga s ASN 208 Ca 0.60 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.33 3bga s ASN 208 Cb -0.28 -0.98 0.02 0.00 0.41 0.00 0.00 41.25 40.42 3bga s ASN 208 CO 0.24 0.08 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.13 3bga s VAL 209 N -1.80 0.96 -0.09 1.60 1.01 -1.26 -1.33 120.40 119.49 3bga s VAL 209 Ca 0.28 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3bga s VAL 209 Cb -0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3bga s VAL 209 CO 0.18 0.33 -0.21 0.54 0.00 0.00 0.00 175.10 175.94 3bga s VAL 210 N 0.98 2.41 0.04 2.92 0.11 -0.78 0.70 120.40 126.77 3bga s VAL 210 Ca -0.09 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.08 3bga s VAL 210 Cb -0.15 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 3bga s VAL 210 CO 0.00 0.56 -0.11 0.00 -3.33 0.00 0.00 175.10 172.22 3bga s ALA 211 N 0.04 0.87 -0.05 1.54 0.00 0.64 -2.13 121.76 122.67 3bga s ALA 211 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3bga s ALA 211 Cb -0.15 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3bga s ALA 211 CO 0.05 0.12 -0.04 -0.51 0.00 0.00 0.00 175.76 175.38 3bga s LEU 212 N -1.24 1.22 -0.46 0.00 2.01 -0.12 -1.07 118.68 119.02 3bga s LEU 212 Ca -0.03 -0.13 -0.04 0.00 0.01 0.00 0.00 54.13 53.94 3bga s LEU 212 Cb -0.08 -0.47 0.12 0.00 0.01 0.00 0.00 46.19 45.77 3bga s LEU 212 CO 0.01 -0.07 0.27 -0.70 1.01 0.00 0.00 176.35 176.86 3bga s GLU 213 N 1.09 2.17 -0.11 1.70 2.12 -0.73 -0.58 118.70 124.37 3bga s GLU 213 Ca -0.08 -1.95 -0.13 0.00 0.36 0.00 0.00 54.97 53.17 3bga s GLU 213 Cb -0.14 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 3bga s GLU 213 CO -0.01 -1.11 0.29 0.08 -0.54 0.00 0.00 175.26 173.97 3bga s VAL 214 N 0.93 5.27 -0.14 3.70 1.01 -0.39 -2.09 120.40 128.71 3bga s VAL 214 Ca 0.10 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 3bga s VAL 214 Cb -0.23 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3bga s VAL 214 CO -0.04 0.49 -0.02 -0.31 0.00 0.00 0.00 175.10 175.22 3bga s TYR 215 N -0.25 3.07 0.21 5.22 2.02 -0.02 0.02 117.35 127.63 3bga s TYR 215 Ca 0.18 -0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 3bga s TYR 215 Cb -0.14 -1.91 0.16 0.00 -0.40 0.00 0.00 41.96 39.67 3bga s TYR 215 CO 0.06 0.12 1.88 -0.09 -1.57 0.00 0.00 175.55 175.96 3bga h ARG 216 N 6.26 1.00 -6.39 -0.62 2.43 -1.54 -3.00 114.38 112.53 3bga h ARG 216 Ca -0.37 -0.06 -0.62 0.00 -0.81 0.00 0.00 59.98 58.12 3bga h ARG 216 Cb 1.19 -0.23 -0.24 0.00 -0.42 0.00 0.00 29.97 30.27 3bga h ARG 216 CO 0.61 0.67 -0.85 -1.58 -1.51 0.00 0.00 179.97 177.31 3bga s TRP 217 N -6.13 2.00 0.28 2.20 0.51 -1.26 -4.52 118.94 112.02 3bga s TRP 217 Ca -0.13 -0.39 -0.19 0.00 -2.12 0.00 0.00 56.10 53.27 3bga s TRP 217 Cb 0.15 -1.15 0.02 0.00 -0.81 0.00 0.00 33.47 31.68 3bga s TRP 217 CO 0.78 0.17 0.67 -1.54 -0.51 0.00 0.00 176.95 176.53 3bga s SER 218 N -1.55 -0.18 0.39 2.95 1.04 -1.26 -4.73 113.70 110.36 3bga s SER 218 Ca 0.09 -0.74 0.14 0.00 0.48 0.00 0.00 55.95 55.92 3bga s SER 218 Cb -0.10 0.71 0.96 0.00 0.10 0.00 0.00 66.02 67.70 3bga s SER 218 CO 0.03 -1.34 1.85 0.28 0.98 0.00 0.00 173.24 175.04 3bga h SER 219 N 2.05 0.52 -0.12 7.02 0.02 -1.28 0.12 113.55 121.88 3bga h SER 219 Ca -0.22 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3bga h SER 219 Cb 1.25 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 3bga h SER 219 CO 0.27 0.23 0.12 1.23 -1.14 0.00 0.00 176.83 177.54 3bga h GLY 220 N 0.53 0.00 1.99 -3.77 0.00 -1.87 -1.07 103.07 98.88 3bga h GLY 220 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3bga h GLY 220 CO -0.21 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.34 3bga h ALA 221 N 1.87 1.29 0.00 3.60 0.00 -1.11 -0.04 119.26 124.87 3bga h ALA 221 Ca 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bga h ALA 221 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bga h ALA 221 CO -0.00 -0.00 -0.01 1.88 0.00 0.00 0.00 179.25 181.12 3bga h TYR 222 N 0.00 0.00 -0.46 0.00 -1.99 -1.34 -1.02 116.97 112.15 3bga h TYR 222 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3bga h TYR 222 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 3bga h TYR 222 CO 0.00 0.01 0.00 1.28 -0.00 0.00 0.00 178.16 179.45 3bga n LEU 223 N -3.12 3.58 -2.74 3.88 4.77 -0.03 -4.02 117.00 119.32 3bga n LEU 223 Ca -0.01 -2.22 -0.22 0.00 -0.03 0.00 0.00 56.01 53.54 3bga n LEU 223 Cb 0.18 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 3bga n LEU 223 CO 0.24 0.79 0.05 -0.62 -1.33 0.00 0.00 177.39 176.51 3bga n GLU 224 N 0.71 2.49 -1.37 3.23 1.02 -0.39 -0.55 120.64 125.78 3bga n GLU 224 Ca 0.18 -4.14 -0.32 0.00 -0.02 0.00 0.00 57.16 52.86 3bga n GLU 224 Cb 0.61 -1.94 0.09 0.00 -0.02 0.00 0.00 31.44 30.18 3bga n GLU 224 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bga s GLN 226 N -3.73 2.54 -0.80 0.00 1.11 -1.26 -4.51 119.66 113.00 3bga s GLN 226 Ca 0.62 1.63 -0.26 0.00 0.01 0.00 0.00 55.36 57.37 3bga s GLN 226 Cb 0.50 -1.90 0.01 0.00 -1.01 0.00 0.00 33.01 30.61 3bga s GLN 226 CO 0.01 -1.50 1.56 0.34 0.01 0.00 0.00 175.29 175.71 3bga s ASP 227 N -2.15 5.87 0.19 5.90 2.15 -1.26 -4.86 116.67 122.52 3bga s ASP 227 Ca 0.72 -0.54 -0.30 0.00 0.43 0.00 0.00 52.55 52.86 3bga s ASP 227 Cb -0.26 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.72 3bga s ASP 227 CO 0.41 -2.03 1.32 0.26 -0.17 0.00 0.00 175.17 174.97 3bga s TRP 229 N 7.03 3.25 -0.45 -5.34 0.52 -1.26 -5.01 118.94 117.67 3bga s TRP 229 Ca 0.51 1.18 -0.17 0.00 0.02 0.00 0.00 56.10 57.63 3bga s TRP 229 Cb -0.07 -3.62 0.04 0.00 -1.15 0.00 0.00 33.47 28.67 3bga s TRP 229 CO 0.08 -1.98 0.44 1.03 0.02 0.00 0.00 176.95 176.55 3bga s ARG 230 N 0.06 3.05 0.43 4.98 1.81 0.12 -5.00 118.95 124.41 3bga s ARG 230 Ca 0.58 -1.01 0.03 0.00 -1.72 0.00 0.00 55.73 53.61 3bga s ARG 230 Cb -0.37 -4.05 -0.03 0.00 -0.45 0.00 0.00 34.95 30.06 3bga s ARG 230 CO 0.37 -0.97 0.07 -0.51 -0.68 0.00 0.00 175.30 173.58 3bga s LEU 231 N 2.02 2.18 0.28 2.53 1.43 -1.26 -3.27 118.68 122.58 3bga s LEU 231 Ca 0.09 -1.61 0.02 0.00 -1.03 0.00 0.00 54.13 51.60 3bga s LEU 231 Cb -0.20 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 3bga s LEU 231 CO 0.11 -0.83 0.13 -0.44 0.23 0.00 0.00 176.35 175.54 3bga s SER 232 N -3.69 1.28 0.00 2.29 0.01 -1.26 -4.87 113.70 107.46 3bga s SER 232 Ca 0.20 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.00 3bga s SER 232 Cb 0.03 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.54 3bga s SER 232 CO 0.11 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.56 3bga n GLY 233 N -0.51 -2.44 3.59 3.44 0.00 -1.26 -1.92 105.19 106.10 3bga n GLY 233 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3bga n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bga s ILE 234 N -0.29 4.07 -0.08 -0.61 1.01 -1.26 -1.46 121.20 122.57 3bga s ILE 234 Ca 0.00 1.02 0.14 0.00 0.00 0.00 0.00 60.65 61.82 3bga s ILE 234 Cb 0.00 -4.62 -0.13 0.00 0.01 0.00 0.00 42.46 37.72 3bga s ILE 234 CO 0.00 -1.16 0.95 -0.33 0.00 0.00 0.00 174.94 174.40 3bga h GLU 235 N 9.60 0.00 -5.26 2.79 5.08 -1.25 0.30 114.58 125.83 3bga h GLU 235 Ca -0.24 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.64 3bga h GLU 235 Cb 1.06 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 3bga h GLU 235 CO 1.16 0.45 -0.62 1.03 -1.00 0.00 0.00 179.01 180.03 3bga s ARG 236 N -2.83 1.64 0.39 2.33 0.52 -0.32 -4.03 118.95 116.65 3bga s ARG 236 Ca -0.02 -1.90 -0.23 0.00 -0.52 0.00 0.00 55.73 53.06 3bga s ARG 236 Cb 0.08 -0.91 -0.13 0.00 0.52 0.00 0.00 34.95 34.51 3bga s ARG 236 CO 0.80 -0.16 0.61 -0.25 0.02 0.00 0.00 175.30 176.33 3bga n ASP 237 N -0.68 -0.59 -4.20 0.23 8.00 -1.26 -4.37 116.55 113.69 3bga n ASP 237 Ca -0.03 0.96 -0.30 0.00 0.71 0.00 0.00 54.79 56.13 3bga n ASP 237 Cb 0.66 -1.13 -0.17 0.00 -0.02 0.00 0.00 41.12 40.47 3bga n ASP 237 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bga s VAL 238 N -1.38 1.87 0.27 2.53 1.01 -1.26 -1.43 120.40 122.01 3bga s VAL 238 Ca 0.63 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3bga s VAL 238 Cb -0.64 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3bga s VAL 238 CO 0.58 0.52 0.65 -0.72 0.00 0.00 0.00 175.10 176.13 3bga s TYR 239 N 0.23 -0.04 0.08 5.22 -0.85 -0.05 -0.95 117.35 120.99 3bga s TYR 239 Ca -0.13 -0.39 0.10 0.00 -0.52 0.00 0.00 57.07 56.12 3bga s TYR 239 Cb -0.16 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 3bga s TYR 239 CO 0.06 -1.17 -0.25 -0.51 -1.52 0.00 0.00 175.55 172.17 3bga s LEU 240 N -2.95 2.31 -0.01 -3.49 1.02 -1.26 -0.33 118.68 113.98 3bga s LEU 240 Ca 0.14 -0.64 -0.07 0.00 0.02 0.00 0.00 54.13 53.59 3bga s LEU 240 Cb -0.04 -1.30 0.00 0.00 0.02 0.00 0.00 46.19 44.87 3bga s LEU 240 CO 0.07 0.22 0.14 -0.72 0.02 0.00 0.00 176.35 176.08 3bga s TYR 241 N -0.94 0.01 0.01 0.29 -0.85 -0.88 -4.38 117.35 110.60 3bga s TYR 241 Ca 0.13 -0.05 0.05 0.00 -0.52 0.00 0.00 57.07 56.69 3bga s TYR 241 Cb -0.10 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.19 3bga s TYR 241 CO 0.04 -0.25 -0.16 -1.54 -1.52 0.00 0.00 175.55 172.12 3bga s SER 242 N -1.16 1.94 0.32 -0.18 1.04 -0.64 -0.54 113.70 114.48 3bga s SER 242 Ca -0.12 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3bga s SER 242 Cb -0.07 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 3bga s SER 242 CO 0.01 0.16 0.10 0.42 0.98 0.00 0.00 173.24 174.91 3bga s THR 243 N -0.53 0.77 0.92 2.02 -4.23 -0.28 -4.73 115.64 109.59 3bga s THR 243 Ca 0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 3bga s THR 243 Cb -0.07 -2.62 0.16 0.00 1.34 0.00 0.00 72.50 71.31 3bga s THR 243 CO 0.00 0.00 1.25 -2.16 -0.54 0.00 0.00 174.62 173.17 3bga s PRO 244 N -3.89 1.03 0.25 3.99 0.04 -1.26 0.06 135.00 135.22 3bga s PRO 244 Ca 0.34 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.20 3bga s PRO 244 Cb 0.07 -1.87 0.44 0.00 0.04 0.00 0.00 34.50 33.18 3bga s PRO 244 CO 0.15 -2.19 1.81 0.87 0.04 0.00 0.00 177.00 177.68 3bga h LYS 245 N -1.48 0.79 -4.95 4.56 1.79 -1.91 -3.34 116.57 112.02 3bga h LYS 245 Ca -0.45 -0.05 -0.65 0.00 -2.18 0.00 0.00 60.65 57.32 3bga h LYS 245 Cb 1.28 -0.18 -0.17 0.00 -1.58 0.00 0.00 32.23 31.58 3bga h LYS 245 CO 0.49 0.52 -0.39 -1.14 -1.08 0.00 0.00 179.45 177.86 3bga s GLN 246 N -6.01 3.83 0.29 3.15 0.74 -1.26 -4.23 119.66 116.17 3bga s GLN 246 Ca -0.12 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.02 3bga s GLN 246 Cb 0.20 -3.71 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 3bga s GLN 246 CO 0.79 -0.31 0.10 1.52 -0.55 0.00 0.00 175.29 176.83 3bga s TYR 247 N 1.89 1.68 -0.48 1.67 -0.85 -0.06 -4.96 117.35 116.24 3bga s TYR 247 Ca 0.10 -1.15 -0.22 0.00 -0.52 0.00 0.00 57.07 55.28 3bga s TYR 247 Cb -0.16 -1.02 0.04 0.00 0.38 0.00 0.00 41.96 41.20 3bga s TYR 247 CO 0.11 -0.27 0.76 0.42 -1.52 0.00 0.00 175.55 175.05 3bga s ILE 248 N -3.58 4.67 -0.01 -3.49 1.01 -1.26 -1.64 121.20 116.91 3bga s ILE 248 Ca 0.36 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 3bga s ILE 248 Cb 0.07 -4.34 -0.32 0.00 0.01 0.00 0.00 42.46 37.88 3bga s ILE 248 CO 0.15 -0.80 0.83 0.00 0.00 0.00 0.00 174.94 175.12 3bga h ALA 249 N 9.04 0.04 -2.41 9.38 0.00 -1.54 -3.46 119.26 130.31 3bga h ALA 249 Ca -0.26 -1.02 0.07 0.00 0.00 0.00 0.00 54.91 53.70 3bga h ALA 249 Cb 1.09 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 3bga h ALA 249 CO 0.98 0.90 0.42 0.34 0.00 0.00 0.00 179.25 181.88 3bga s ASP 250 N -7.38 -0.43 -0.12 0.00 2.15 -1.17 -4.58 116.67 105.14 3bga s ASP 250 Ca -0.12 0.05 -0.25 0.00 0.43 0.00 0.00 52.55 52.66 3bga s ASP 250 Cb 0.05 0.44 0.06 0.00 -0.30 0.00 0.00 42.92 43.17 3bga s ASP 250 CO 0.89 -0.69 0.61 -0.72 -0.17 0.00 0.00 175.17 175.09 3bga s TYR 251 N -3.08 -0.61 -0.17 -5.34 -0.85 -1.26 -0.11 117.35 105.93 3bga s TYR 251 Ca 0.03 1.25 -0.00 0.00 -0.52 0.00 0.00 57.07 57.83 3bga s TYR 251 Cb -0.01 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.63 3bga s TYR 251 CO -0.09 -0.47 -0.15 0.21 -1.52 0.00 0.00 175.55 173.54 3bga s LYS 252 N -0.58 3.18 0.04 -3.49 2.20 0.05 -4.80 119.74 116.34 3bga s LYS 252 Ca -0.07 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 3bga s LYS 252 Cb -0.03 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 3bga s LYS 252 CO 0.05 -0.06 0.08 0.08 -0.36 0.00 0.00 175.35 175.14 3bga s VAL 253 N 1.00 4.62 -0.28 4.02 1.01 -1.26 -1.59 120.40 127.92 3bga s VAL 253 Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3bga s VAL 253 Cb -0.15 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.17 3bga s VAL 253 CO -0.03 0.24 0.15 -0.55 0.00 0.00 0.00 175.10 174.91 3bga s SER 254 N -2.05 3.11 -0.61 3.32 0.15 -0.66 -4.83 113.70 112.14 3bga s SER 254 Ca 0.26 -1.12 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 3bga s SER 254 Cb -0.12 -0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.14 3bga s SER 254 CO 0.18 -0.42 0.43 0.00 1.20 0.00 0.00 173.24 174.63 3bga s ALA 255 N 2.15 3.56 0.26 5.45 0.00 -1.26 -1.37 121.76 130.55 3bga s ALA 255 Ca 0.08 -3.15 0.02 0.00 0.00 0.00 0.00 51.96 48.91 3bga s ALA 255 Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.27 3bga s ALA 255 CO -0.33 -2.07 0.14 0.45 0.00 0.00 0.00 175.76 173.95 3bga n SER 256 N 3.72 2.10 -4.20 0.00 2.88 -0.21 -2.62 113.62 115.29 3bga n SER 256 Ca 0.06 -1.97 -0.16 0.00 -1.33 0.00 0.00 58.87 55.47 3bga n SER 256 Cb 0.39 0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.78 3bga n SER 256 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3bga s LEU 257 N 0.00 2.38 0.47 2.46 1.43 -1.26 0.63 118.68 124.79 3bga s LEU 257 Ca 0.11 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 3bga s LEU 257 Cb -0.01 -0.43 -0.07 0.00 0.03 0.00 0.00 46.19 45.71 3bga s LEU 257 CO 0.07 -0.18 1.33 1.51 0.23 0.00 0.00 176.35 179.30 3bga s ASP 258 N -2.32 5.88 0.00 2.29 -4.77 -0.17 -4.85 116.67 112.73 3bga s ASP 258 Ca 0.05 2.70 0.31 0.00 -3.30 0.00 0.00 52.55 52.32 3bga s ASP 258 Cb -0.05 -2.64 1.81 0.00 -1.09 0.00 0.00 42.92 40.96 3bga s ASP 258 CO 0.02 -1.15 2.18 0.29 0.70 0.00 0.00 175.17 177.20 3bga n LYS 259 N -0.38 0.87 -0.12 2.11 4.76 -1.26 -1.10 118.16 123.04 3bga n LYS 259 Ca 0.06 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 3bga n LYS 259 Cb 0.44 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.00 3bga n LYS 259 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3bga n GLU 260 N -1.06 0.66 0.00 1.97 1.02 -1.26 -4.75 120.64 117.21 3bga n GLU 260 Ca 0.22 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3bga n GLU 260 Cb 0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3bga n GLU 260 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3bga n LYS 261 N -3.13 0.30 -3.73 3.49 4.76 -1.25 -5.03 118.16 113.57 3bga n LYS 261 Ca -0.43 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 54.75 3bga n LYS 261 Cb 1.03 -1.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.28 3bga n LYS 261 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3bga n TYR 262 N -1.53 -2.67 0.00 2.13 4.01 -0.26 -4.86 117.16 113.98 3bga n TYR 262 Ca 0.00 0.98 0.00 0.00 -0.16 0.00 0.00 57.90 58.72 3bga n TYR 262 Cb 0.04 -4.63 0.00 0.00 -0.31 0.00 0.00 39.34 34.44 3bga n TYR 262 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3bga n LYS 263 N -4.89 0.69 -2.95 -0.72 4.76 -1.26 -4.89 118.16 108.91 3bga n LYS 263 Ca 0.02 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 3bga n LYS 263 Cb 0.55 -0.94 -0.04 0.00 -1.84 0.00 0.00 35.03 32.75 3bga n LYS 263 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3bga s GLU 264 N -1.88 4.28 0.21 1.97 2.12 -1.26 -3.06 118.70 121.07 3bga s GLU 264 Ca 0.00 0.92 -0.27 0.00 0.36 0.00 0.00 54.97 55.98 3bga s GLU 264 Cb 0.00 -3.57 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 3bga s GLU 264 CO 0.00 -0.30 0.84 0.20 -0.54 0.00 0.00 175.26 175.46 3bga s GLY 265 N 1.16 2.97 -0.22 -1.50 0.00 0.25 -1.00 107.32 108.99 3bga s GLY 265 Ca 0.36 0.45 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 3bga s GLY 265 CO 0.12 0.97 -0.11 -0.42 0.00 0.00 0.00 173.10 173.66 3bga s ILE 266 N -1.21 2.60 -0.16 0.90 -1.09 0.21 -1.01 121.20 121.42 3bga s ILE 266 Ca 0.39 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.79 3bga s ILE 266 Cb -0.24 -2.24 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 3bga s ILE 266 CO 0.28 0.34 0.01 0.12 -1.23 0.00 0.00 174.94 174.46 3bga s PHE 267 N 1.32 3.14 0.03 3.97 5.36 0.40 -1.04 117.98 131.16 3bga s PHE 267 Ca 0.02 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 3bga s PHE 267 Cb -0.15 -2.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 3bga s PHE 267 CO -0.07 0.08 -0.07 -0.80 -1.46 0.00 0.00 175.22 172.90 3bga s ASN 268 N 0.30 0.77 -0.23 6.13 0.01 -0.47 -1.36 114.94 120.08 3bga s ASN 268 Ca -0.00 -0.48 -0.14 0.00 -0.71 0.00 0.00 52.86 51.53 3bga s ASN 268 Cb -0.13 0.03 0.07 0.00 0.41 0.00 0.00 41.25 41.62 3bga s ASN 268 CO 0.02 -0.17 0.58 -0.22 -1.51 0.00 0.00 177.10 175.79 3bga s LEU 269 N -1.35 -0.57 0.02 0.60 2.96 -1.26 -1.65 118.68 117.44 3bga s LEU 269 Ca -0.09 1.26 0.08 0.00 -0.22 0.00 0.00 54.13 55.16 3bga s LEU 269 Cb -0.09 1.98 -0.02 0.00 0.50 0.00 0.00 46.19 48.56 3bga s LEU 269 CO 0.00 -0.22 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.97 3bga s GLU 270 N 1.42 1.71 0.01 1.98 2.02 -0.62 -1.22 118.70 124.00 3bga s GLU 270 Ca -0.09 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 53.97 3bga s GLU 270 Cb -0.06 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 3bga s GLU 270 CO -0.15 0.47 -0.07 0.08 0.02 0.00 0.00 175.26 175.61 3bga s VAL 271 N -0.70 0.52 -0.16 2.63 1.01 0.11 -0.77 120.40 123.04 3bga s VAL 271 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3bga s VAL 271 Cb -0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 3bga s VAL 271 CO 0.01 0.01 -0.15 -0.89 0.00 0.00 0.00 175.10 174.08 3bga s THR 272 N -0.45 2.67 -0.16 3.92 2.01 0.84 -0.05 115.64 124.41 3bga s THR 272 Ca -0.00 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 3bga s THR 272 Cb -0.04 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3bga s THR 272 CO -0.00 0.51 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 3bga s VAL 273 N 0.88 3.01 0.29 3.82 1.01 0.52 -1.28 120.40 128.65 3bga s VAL 273 Ca -0.04 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.39 3bga s VAL 273 Cb -0.15 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3bga s VAL 273 CO -0.01 0.50 -0.05 -1.61 0.00 0.00 0.00 175.10 173.93 3bga s GLU 274 N 0.79 2.08 0.00 2.72 2.02 -0.65 -0.24 118.70 125.41 3bga s GLU 274 Ca -0.04 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.34 3bga s GLU 274 Cb -0.15 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3bga s GLU 274 CO 0.01 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3bga n GLY 275 N -0.85 2.01 3.95 -1.39 0.00 -0.48 -0.88 105.19 107.56 3bga n GLY 275 Ca -0.05 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 3bga n GLY 275 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bga s PRO 276 N -2.61 1.66 0.00 1.61 0.04 -1.26 -4.62 135.00 129.82 3bga s PRO 276 Ca 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.42 3bga s PRO 276 Cb 0.00 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3bga s PRO 276 CO 0.00 -1.56 0.00 0.45 0.04 0.00 0.00 177.00 175.93 3bga n SER 277 N -3.06 0.00 -0.02 6.66 2.88 -1.26 -3.99 113.62 114.83 3bga n SER 277 Ca 0.12 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.49 3bga n SER 277 Cb 0.60 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.98 3bga n SER 277 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bga h ALA 278 N 0.00 0.22 -1.53 -1.46 0.00 -1.99 -3.45 119.26 111.04 3bga h ALA 278 Ca 0.00 -0.55 -0.46 0.00 0.00 0.00 0.00 54.91 53.90 3bga h ALA 278 Cb 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.89 3bga h ALA 278 CO 0.00 0.48 0.18 0.95 0.00 0.00 0.00 179.25 180.86 3bga s THR 279 N -3.66 2.12 0.50 0.00 -4.23 -1.26 -5.05 115.64 104.06 3bga s THR 279 Ca -0.12 -0.45 -0.18 0.00 -1.18 0.00 0.00 61.69 59.76 3bga s THR 279 Cb 0.06 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 3bga s THR 279 CO 0.85 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.94 3bga s ALA 280 N -3.31 2.94 0.25 3.99 0.00 -1.26 -4.91 121.76 119.46 3bga s ALA 280 Ca 0.68 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 3bga s ALA 280 Cb -0.05 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3bga s ALA 280 CO 0.46 -0.29 0.43 -1.54 0.00 0.00 0.00 175.76 174.83 3bga s SER 281 N -2.49 0.07 0.07 0.00 1.04 -0.60 -1.58 113.70 110.21 3bga s SER 281 Ca 0.63 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 3bga s SER 281 Cb -0.13 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3bga s SER 281 CO 0.25 -1.13 0.29 -0.94 0.98 0.00 0.00 173.24 172.69 3bga s SER 282 N -3.07 -0.08 -0.11 7.02 1.04 -0.65 -0.10 113.70 117.75 3bga s SER 282 Ca 0.26 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3bga s SER 282 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3bga s SER 282 CO 0.11 -0.68 -0.16 -0.51 0.98 0.00 0.00 173.24 172.98 3bga s ILE 283 N -3.08 2.82 0.15 -1.02 1.10 -0.23 -0.50 121.20 120.44 3bga s ILE 283 Ca -0.01 -0.75 0.04 0.00 -0.51 0.00 0.00 60.65 59.42 3bga s ILE 283 Cb 0.01 -2.15 -0.04 0.00 0.15 0.00 0.00 42.46 40.42 3bga s ILE 283 CO -0.07 0.54 -0.10 0.00 -2.11 0.00 0.00 174.94 173.20 3bga s ALA 284 N 0.23 1.44 0.00 1.50 0.00 -0.45 -0.92 121.76 123.56 3bga s ALA 284 Ca -0.10 -1.49 -0.07 0.00 0.00 0.00 0.00 51.96 50.29 3bga s ALA 284 Cb -0.16 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3bga s ALA 284 CO 0.06 -0.10 0.14 1.52 0.00 0.00 0.00 175.76 177.37 3bga s TYR 285 N -3.34 0.04 -0.08 0.00 -0.85 -1.00 -1.29 117.35 110.84 3bga s TYR 285 Ca 0.17 -0.14 -0.02 0.00 -0.52 0.00 0.00 57.07 56.56 3bga s TYR 285 Cb 0.03 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.35 3bga s TYR 285 CO 0.00 -0.29 0.04 0.99 -1.52 0.00 0.00 175.55 174.78 3bga s THR 286 N -1.40 0.10 -0.25 -3.49 2.01 -0.06 -2.88 115.64 109.66 3bga s THR 286 Ca -0.15 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 3bga s THR 286 Cb -0.08 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3bga s THR 286 CO 0.02 0.12 0.33 -0.22 -0.69 0.00 0.00 174.62 174.17 3bga s LEU 287 N 2.08 4.07 0.10 4.42 2.96 -0.99 -0.83 118.68 130.48 3bga s LEU 287 Ca 0.04 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 3bga s LEU 287 Cb -0.13 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3bga s LEU 287 CO -0.05 -0.11 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.20 3bga s LYS 288 N 1.74 2.04 0.86 1.98 1.02 0.67 -1.53 119.74 126.52 3bga s LYS 288 Ca 0.14 -1.05 -0.10 0.00 0.02 0.00 0.00 55.97 54.97 3bga s LYS 288 Cb -0.15 -2.25 0.16 0.00 -0.52 0.00 0.00 37.83 35.07 3bga s LYS 288 CO 0.09 0.51 1.19 0.16 -0.92 0.00 0.00 175.35 176.37 3bga s ASP 289 N -2.09 3.69 0.45 2.83 1.47 0.06 0.26 116.67 123.35 3bga s ASP 289 Ca 0.20 0.10 0.18 0.00 1.18 0.00 0.00 52.55 54.21 3bga s ASP 289 Cb -0.11 -0.31 1.13 0.00 -0.34 0.00 0.00 42.92 43.29 3bga s ASP 289 CO 0.12 -2.34 1.93 0.00 0.68 0.00 0.00 175.17 175.56 3bga h ALA 290 N -1.18 2.22 0.00 2.11 0.00 -1.90 0.58 119.26 121.08 3bga h ALA 290 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3bga h ALA 290 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bga h ALA 290 CO 0.41 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3bga n SER 291 N -4.45 0.22 0.00 0.00 3.41 -1.26 -4.89 113.62 106.64 3bga n SER 291 Ca 0.14 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3bga n SER 291 Cb 0.57 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3bga n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bga n GLY 292 N 1.13 0.40 3.75 5.00 0.00 0.20 -5.08 105.19 110.58 3bga n GLY 292 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3bga n GLY 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 293 N -0.84 4.66 0.17 1.61 2.20 -1.26 -4.69 119.74 121.59 3bga s LYS 293 Ca 0.00 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.01 3bga s LYS 293 Cb 0.00 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 3bga s LYS 293 CO 0.00 0.21 1.05 0.00 -0.36 0.00 0.00 175.35 176.25 3bga s ALA 294 N -0.74 3.34 -0.03 3.13 0.00 -1.26 -0.76 121.76 125.44 3bga s ALA 294 Ca 0.46 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.20 3bga s ALA 294 Cb -0.29 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3bga s ALA 294 CO 0.36 -0.13 0.04 1.33 0.00 0.00 0.00 175.76 177.37 3bga n VAL 295 N 2.38 0.19 -4.03 0.00 0.24 -0.58 -4.94 118.33 111.59 3bga n VAL 295 Ca 0.02 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 62.09 3bga n VAL 295 Cb 0.47 -0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 3bga n VAL 295 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bga s LEU 296 N -3.98 2.25 -0.25 1.34 1.43 -1.21 -5.03 118.68 113.23 3bga s LEU 296 Ca -0.02 -0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 52.00 3bga s LEU 296 Cb 0.02 0.31 0.16 0.00 0.03 0.00 0.00 46.19 46.71 3bga s LEU 296 CO 0.17 -0.54 1.20 -1.58 0.23 0.00 0.00 176.35 175.83 3bga s GLN 297 N -3.26 0.32 0.17 1.70 0.74 -1.26 -2.36 119.66 115.71 3bga s GLN 297 Ca 0.01 0.19 -0.24 0.00 0.05 0.00 0.00 55.36 55.36 3bga s GLN 297 Cb 0.03 0.15 0.06 0.00 1.10 0.00 0.00 33.01 34.35 3bga s GLN 297 CO -0.08 -0.08 0.92 0.34 -0.55 0.00 0.00 175.29 175.84 3bga s ASP 298 N -0.56 -0.19 -0.21 6.67 -1.08 -1.14 -5.03 116.67 115.13 3bga s ASP 298 Ca 0.04 -0.43 -0.22 0.00 -0.52 0.00 0.00 52.55 51.42 3bga s ASP 298 Cb -0.03 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 42.02 3bga s ASP 298 CO -0.06 -0.98 0.61 0.00 0.52 0.00 0.00 175.17 175.26 3bga s ALA 299 N -3.40 -1.53 0.00 3.66 0.00 -1.26 -2.37 121.76 116.87 3bga s ALA 299 Ca 0.12 1.66 0.05 0.00 0.00 0.00 0.00 51.96 53.79 3bga s ALA 299 Cb -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3bga s ALA 299 CO 0.03 -0.30 -0.17 0.42 0.00 0.00 0.00 175.76 175.74 3bga s ILE 300 N 0.14 1.33 0.32 0.00 -1.09 -0.09 -4.99 121.20 116.82 3bga s ILE 300 Ca -0.01 -0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 57.45 3bga s ILE 300 Cb -0.04 -1.13 -0.08 0.00 -1.58 0.00 0.00 42.46 39.63 3bga s ILE 300 CO 0.02 0.29 0.71 0.20 -1.23 0.00 0.00 174.94 174.92 3bga s ASN 301 N -0.63 6.70 -0.08 3.58 0.02 -1.26 -1.07 114.94 122.20 3bga s ASN 301 Ca 0.06 1.19 -0.19 0.00 -1.02 0.00 0.00 52.86 52.89 3bga s ASN 301 Cb -0.07 -2.34 0.04 0.00 0.02 0.00 0.00 41.25 38.91 3bga s ASN 301 CO 0.00 -0.22 0.45 0.27 0.02 0.00 0.00 177.10 177.62 3bga s ILE 302 N -2.03 0.02 -0.30 0.60 -4.36 0.86 -4.91 121.20 111.08 3bga s ILE 302 Ca 0.52 -0.20 -0.13 0.00 -0.26 0.00 0.00 60.65 60.58 3bga s ILE 302 Cb -0.10 -0.72 0.18 0.00 1.25 0.00 0.00 42.46 43.06 3bga s ILE 302 CO 0.21 -0.11 1.06 -0.75 0.24 0.00 0.00 174.94 175.59 3bga s LYS 303 N -0.75 0.18 0.07 0.37 2.20 -1.26 -1.55 119.74 118.99 3bga s LYS 303 Ca -0.08 0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 3bga s LYS 303 Cb -0.03 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 3bga s LYS 303 CO 0.04 -0.19 -0.02 0.45 -0.36 0.00 0.00 175.35 175.27 3bga s SER 304 N 2.92 0.52 0.00 1.43 0.15 -1.26 -5.00 113.70 112.46 3bga s SER 304 Ca -0.02 -1.03 0.27 0.00 0.70 0.00 0.00 55.95 55.87 3bga s SER 304 Cb -0.10 0.21 0.86 0.00 -1.71 0.00 0.00 66.02 65.28 3bga s SER 304 CO -0.11 -0.61 1.65 0.54 1.20 0.00 0.00 173.24 175.91 3bga n ARG 305 N 0.07 0.24 -3.08 5.44 5.12 -1.26 -4.77 116.66 118.42 3bga n ARG 305 Ca -0.13 -0.11 -0.39 0.00 -1.93 0.00 0.00 57.85 55.30 3bga n ARG 305 Cb 0.61 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 3bga n ARG 305 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3bga s GLY 306 N -2.83 2.73 0.00 -0.13 0.00 -1.26 -4.95 107.32 100.88 3bga s GLY 306 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3bga s GLY 306 CO 0.59 0.91 0.65 1.04 0.00 0.00 0.00 173.10 176.29 3bga n LEU 307 N 2.57 0.28 -3.69 0.66 4.77 -1.26 -4.62 117.00 115.70 3bga n LEU 307 Ca -0.05 -0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3bga n LEU 307 Cb 0.50 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3bga n LEU 307 CO 0.45 0.07 -0.06 -0.55 -1.33 0.00 0.00 177.39 175.97 3bga s SER 308 N -0.86 -0.11 -0.06 -1.43 0.15 -1.26 -1.39 113.70 108.75 3bga s SER 308 Ca 0.00 0.70 0.02 0.00 0.70 0.00 0.00 55.95 57.37 3bga s SER 308 Cb 0.00 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 65.07 3bga s SER 308 CO 0.00 -0.21 -0.09 0.20 1.20 0.00 0.00 173.24 174.34 3bga s ASN 309 N 1.90 1.43 -0.26 5.45 0.01 0.67 -4.99 114.94 119.15 3bga s ASN 309 Ca -0.05 -0.23 -0.08 0.00 -0.71 0.00 0.00 52.86 51.79 3bga s ASN 309 Cb -0.11 -0.67 -0.03 0.00 0.41 0.00 0.00 41.25 40.85 3bga s ASN 309 CO -0.10 -0.00 0.10 0.12 -1.51 0.00 0.00 177.10 175.70 3bga s PHE 310 N 0.78 3.11 -0.25 2.20 5.36 -1.26 -0.36 117.98 127.56 3bga s PHE 310 Ca -0.13 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 3bga s PHE 310 Cb -0.15 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.30 3bga s PHE 310 CO 0.02 -0.33 -0.09 0.42 -1.46 0.00 0.00 175.22 173.78 3bga s ILE 311 N 1.64 2.50 -0.28 3.12 1.09 0.92 -4.98 121.20 125.21 3bga s ILE 311 Ca 0.06 -1.30 -0.07 0.00 -1.10 0.00 0.00 60.65 58.25 3bga s ILE 311 Cb -0.15 -2.34 -0.00 0.00 -1.06 0.00 0.00 42.46 38.91 3bga s ILE 311 CO 0.05 0.12 0.07 0.00 -0.10 0.00 0.00 174.94 175.08 3bga s ALA 312 N 1.22 3.08 0.72 9.38 0.00 -1.26 0.05 121.76 134.95 3bga s ALA 312 Ca -0.03 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 3bga s ALA 312 Cb -0.18 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.86 3bga s ALA 312 CO -0.06 -0.77 1.08 -0.06 0.00 0.00 0.00 175.76 175.96 3bga s PHE 313 N 1.53 3.17 0.30 0.00 0.08 -0.36 -5.01 117.98 117.69 3bga s PHE 313 Ca 0.04 1.21 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 3bga s PHE 313 Cb -0.16 -2.98 -0.09 0.00 -0.57 0.00 0.00 43.02 39.21 3bga s PHE 313 CO 0.02 -1.30 1.09 -0.51 -0.10 0.00 0.00 175.22 174.43 3bga s ASP 314 N -4.05 7.17 0.19 1.36 1.01 -1.26 -4.62 116.67 116.46 3bga s ASP 314 Ca 0.58 2.24 -0.31 0.00 0.71 0.00 0.00 52.55 55.77 3bga s ASP 314 Cb -0.13 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.08 3bga s ASP 314 CO 0.54 -0.21 1.55 -0.70 0.21 0.00 0.00 175.17 176.56 3bga s GLU 315 N -1.63 4.21 0.23 8.23 2.12 -1.26 -4.87 118.70 125.75 3bga s GLU 315 Ca 0.47 2.37 0.10 0.00 0.36 0.00 0.00 54.97 58.28 3bga s GLU 315 Cb -0.30 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3bga s GLU 315 CO 0.39 -0.58 -0.13 0.15 -0.54 0.00 0.00 175.26 174.55 3bga s LYS 316 N 0.76 1.91 0.06 4.30 -0.14 -0.46 -4.98 119.74 121.18 3bga s LYS 316 Ca 0.68 -1.50 0.06 0.00 -1.36 0.00 0.00 55.97 53.85 3bga s LYS 316 Cb -0.44 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 3bga s LYS 316 CO 0.34 0.38 -0.17 0.15 -0.76 0.00 0.00 175.35 175.29 3bga s LYS 317 N -3.21 1.05 -0.16 1.68 1.02 -1.26 -0.45 119.74 118.41 3bga s LYS 317 Ca 0.27 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3bga s LYS 317 Cb -0.07 -1.14 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 3bga s LYS 317 CO 0.15 0.28 -0.12 0.42 -0.92 0.00 0.00 175.35 175.16 3bga s ILE 318 N -0.99 1.49 0.28 2.17 -1.09 -0.18 -4.97 121.20 117.91 3bga s ILE 318 Ca 0.03 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.49 3bga s ILE 318 Cb -0.09 -1.46 -0.10 0.00 -1.58 0.00 0.00 42.46 39.23 3bga s ILE 318 CO 0.02 0.36 1.11 0.00 -1.23 0.00 0.00 174.94 175.20 3bga s ALA 319 N 1.50 3.41 -1.18 9.38 0.00 -1.26 -0.58 121.76 133.03 3bga s ALA 319 Ca 0.03 0.91 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 3bga s ALA 319 Cb -0.14 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.73 3bga s ALA 319 CO -0.10 -0.18 0.41 0.39 0.00 0.00 0.00 175.76 176.29 3bga n GLU 320 N 1.16 -2.94 -1.67 0.00 -0.58 -1.23 -4.86 120.64 110.52 3bga n GLU 320 Ca -0.01 0.38 -0.42 0.00 -0.42 0.00 0.00 57.16 56.69 3bga n GLU 320 Cb 0.45 -5.04 0.01 0.00 -0.57 0.00 0.00 31.44 26.29 3bga n GLU 320 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3bga n VAL 321 N -3.74 2.37 -1.98 2.62 3.14 -1.17 -4.86 118.33 114.70 3bga n VAL 321 Ca -0.00 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.45 3bga n VAL 321 Cb 0.53 -1.41 -0.03 0.00 -1.06 0.00 0.00 33.84 31.87 3bga n VAL 321 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3bga s LYS 322 N -2.03 3.44 0.48 1.45 -0.14 -1.26 -4.89 119.74 116.78 3bga s LYS 322 Ca 0.60 1.56 -0.20 0.00 -1.36 0.00 0.00 55.97 56.57 3bga s LYS 322 Cb -0.55 -4.18 -0.09 0.00 -1.68 0.00 0.00 37.83 31.33 3bga s LYS 322 CO 0.59 -1.73 1.00 0.00 -0.76 0.00 0.00 175.35 174.44 3bga s ALA 323 N 6.58 2.95 -0.10 5.17 0.00 -1.26 -4.47 121.76 130.62 3bga s ALA 323 Ca 0.80 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 3bga s ALA 323 Cb -0.24 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3bga s ALA 323 CO 0.33 -0.18 0.02 -0.46 0.00 0.00 0.00 175.76 175.48 3bga s TRP 324 N -2.16 3.21 0.13 0.00 -0.00 0.90 -3.74 118.94 117.28 3bga s TRP 324 Ca 0.64 0.22 -0.25 0.00 -0.00 0.00 0.00 56.10 56.70 3bga s TRP 324 Cb -0.13 -1.82 0.07 0.00 -0.00 0.00 0.00 33.47 31.59 3bga s TRP 324 CO 0.20 0.48 0.92 0.54 -0.00 0.00 0.00 176.95 179.09 3bga s ASN 325 N -0.82 -0.23 0.36 5.86 2.20 -0.93 -4.61 114.94 116.77 3bga s ASN 325 Ca 0.13 -0.34 0.10 0.00 -0.94 0.00 0.00 52.86 51.81 3bga s ASN 325 Cb -0.12 0.49 0.87 0.00 -2.00 0.00 0.00 41.25 40.49 3bga s ASN 325 CO 0.02 -0.89 1.85 0.00 -2.94 0.00 0.00 177.10 175.15 3bga h ALA 326 N 2.00 1.89 0.05 3.54 0.00 -1.93 -1.54 119.26 123.28 3bga h ALA 326 Ca -0.24 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 3bga h ALA 326 Cb 1.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3bga h ALA 326 CO 0.27 -0.17 -1.07 0.93 0.00 0.00 0.00 179.25 179.21 3bga h GLU 327 N 0.64 0.41 -2.63 0.00 5.08 -1.91 -3.41 114.58 112.76 3bga h GLU 327 Ca 0.48 -0.51 -0.60 0.00 -1.00 0.00 0.00 59.36 57.73 3bga h GLU 327 Cb 0.86 0.16 -0.39 0.00 0.50 0.00 0.00 28.75 29.88 3bga h GLU 327 CO -0.23 1.18 -0.85 -1.01 -1.00 0.00 0.00 179.01 177.10 3bga s HIS 328 N -3.06 1.48 -1.38 4.33 3.76 -0.90 -5.04 115.29 114.48 3bga s HIS 328 Ca -0.06 -2.30 -0.13 0.00 -0.15 0.00 0.00 55.06 52.43 3bga s HIS 328 Cb 0.08 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 3bga s HIS 328 CO 0.88 -0.78 2.43 -0.35 -0.85 0.00 0.00 174.74 176.07 3bga n PRO 329 N 3.17 2.89 -1.97 8.40 -0.04 -0.63 -2.20 135.00 144.62 3bga n PRO 329 Ca 0.20 -2.25 -0.42 0.00 -0.04 0.00 0.00 63.50 60.98 3bga n PRO 329 Cb 0.41 -2.99 -0.03 0.00 -0.04 0.00 0.00 33.50 30.85 3bga n PRO 329 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3bga s ASN 330 N 3.10 6.64 -0.03 3.54 0.02 -1.25 -4.87 114.94 122.09 3bga s ASN 330 Ca 0.55 2.36 0.08 0.00 -1.02 0.00 0.00 52.86 54.83 3bga s ASN 330 Cb 0.15 -2.55 -0.02 0.00 0.02 0.00 0.00 41.25 38.85 3bga s ASN 330 CO -0.05 -0.90 -0.25 -0.76 0.02 0.00 0.00 177.10 175.16 3bga s LEU 331 N 3.32 2.05 0.36 0.60 1.43 -1.26 -4.21 118.68 120.97 3bga s LEU 331 Ca 0.74 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3bga s LEU 331 Cb -0.37 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3bga s LEU 331 CO 0.31 0.30 0.42 -0.31 0.23 0.00 0.00 176.35 177.31 3bga s TYR 332 N -0.53 2.93 -0.14 0.29 2.02 0.11 -4.05 117.35 117.97 3bga s TYR 332 Ca 0.08 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 3bga s TYR 332 Cb -0.10 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3bga s TYR 332 CO -0.00 -0.05 -0.18 0.99 -1.57 0.00 0.00 175.55 174.74 3bga s THR 333 N -2.29 1.77 -0.32 -0.71 2.01 0.14 -0.22 115.64 116.02 3bga s THR 333 Ca 0.46 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 3bga s THR 333 Cb -0.08 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3bga s THR 333 CO 0.30 0.49 0.54 -0.22 -0.69 0.00 0.00 174.62 175.04 3bga s LEU 334 N 1.15 4.22 -0.27 4.42 2.96 0.14 -0.24 118.68 131.05 3bga s LEU 334 Ca -0.01 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3bga s LEU 334 Cb -0.14 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 43.91 3bga s LEU 334 CO -0.06 -0.43 0.01 -0.69 -1.32 0.00 0.00 176.35 173.85 3bga s VAL 335 N 2.43 3.45 -0.15 1.68 1.01 -0.01 -2.12 120.40 126.69 3bga s VAL 335 Ca 0.21 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3bga s VAL 335 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3bga s VAL 335 CO 0.12 0.13 0.07 -0.76 0.00 0.00 0.00 175.10 174.66 3bga s LEU 336 N 1.41 3.94 -0.06 3.92 1.43 0.13 -0.88 118.68 128.56 3bga s LEU 336 Ca 0.01 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3bga s LEU 336 Cb -0.17 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3bga s LEU 336 CO -0.01 0.27 -0.07 -1.61 0.23 0.00 0.00 176.35 175.16 3bga s GLU 337 N -0.21 1.25 -0.17 1.70 2.02 -0.41 -1.86 118.70 121.01 3bga s GLU 337 Ca 0.08 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 54.73 3bga s GLU 337 Cb -0.12 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.89 3bga s GLU 337 CO 0.01 -0.09 0.22 -1.17 0.02 0.00 0.00 175.26 174.26 3bga s LEU 338 N 1.02 4.24 0.11 1.80 2.96 -0.33 -1.35 118.68 127.13 3bga s LEU 338 Ca -0.09 0.40 0.09 0.00 -0.22 0.00 0.00 54.13 54.31 3bga s LEU 338 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3bga s LEU 338 CO -0.00 0.15 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.41 3bga s LYS 339 N 0.33 1.21 0.98 1.98 1.02 0.35 0.55 119.74 126.15 3bga s LYS 339 Ca 0.13 -1.22 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 3bga s LYS 339 Cb -0.12 -1.54 0.24 0.00 -0.52 0.00 0.00 37.83 35.89 3bga s LYS 339 CO 0.02 0.36 0.97 -0.25 -0.92 0.00 0.00 175.35 175.52 3bga n ASP 340 N 1.04 -1.43 0.24 2.83 8.00 0.11 -1.64 116.55 125.70 3bga n ASP 340 Ca -0.19 -1.14 0.10 0.00 0.71 0.00 0.00 54.79 54.27 3bga n ASP 340 Cb 0.53 -0.84 0.61 0.00 -0.02 0.00 0.00 41.12 41.40 3bga n ASP 340 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bga h ALA 341 N -2.43 1.26 -0.25 2.24 0.00 -1.63 -0.82 119.26 117.64 3bga h ALA 341 Ca -0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3bga h ALA 341 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3bga h ALA 341 CO 0.23 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.75 3bga n GLN 342 N -3.69 1.78 -1.05 0.00 3.00 -1.26 -4.90 117.38 111.26 3bga n GLN 342 Ca -0.01 -1.19 -0.02 0.00 -0.01 0.00 0.00 57.00 55.77 3bga n GLN 342 Cb 0.30 -1.34 -0.01 0.00 0.00 0.00 0.00 30.24 29.19 3bga n GLN 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bga n GLY 343 N 1.11 0.53 3.69 1.08 0.00 -0.31 -5.00 105.19 106.29 3bga n GLY 343 Ca 0.14 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3bga n GLY 343 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 344 N -1.23 4.38 0.11 1.61 2.20 -1.26 -4.69 119.74 120.87 3bga s LYS 344 Ca 0.00 0.95 -0.31 0.00 -0.36 0.00 0.00 55.97 56.25 3bga s LYS 344 Cb 0.00 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 3bga s LYS 344 CO 0.00 -0.11 1.70 0.08 -0.36 0.00 0.00 175.35 176.65 3bga s VAL 345 N 1.40 2.75 -0.16 4.02 1.01 -1.26 0.08 120.40 128.24 3bga s VAL 345 Ca 0.38 0.32 0.15 0.00 0.00 0.00 0.00 61.98 62.84 3bga s VAL 345 Cb -0.17 -3.21 -0.21 0.00 0.00 0.00 0.00 36.38 32.79 3bga s VAL 345 CO 0.16 0.01 0.07 0.35 0.00 0.00 0.00 175.10 175.69 3bga n THR 346 N 4.56 1.13 -3.75 3.92 -2.24 0.19 -4.90 114.28 113.18 3bga n THR 346 Ca 0.16 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 3bga n THR 346 Cb 0.39 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 3bga n THR 346 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bga s GLU 347 N -2.45 0.39 -0.05 -0.78 2.12 -1.18 -4.71 118.70 112.04 3bga s GLU 347 Ca -0.08 0.49 0.05 0.00 0.36 0.00 0.00 54.97 55.78 3bga s GLU 347 Cb 0.05 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.60 3bga s GLU 347 CO 0.71 -0.06 -0.19 -1.17 -0.54 0.00 0.00 175.26 174.00 3bga s LEU 348 N 0.30 1.96 0.13 2.70 2.96 -1.26 -1.19 118.68 124.27 3bga s LEU 348 Ca -0.01 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 3bga s LEU 348 Cb -0.03 -1.10 0.08 0.00 0.50 0.00 0.00 46.19 45.64 3bga s LEU 348 CO -0.01 0.18 1.06 0.28 -1.32 0.00 0.00 176.35 176.54 3bga s THR 349 N 0.02 0.00 -3.11 3.68 -1.32 -0.78 0.49 115.64 114.62 3bga s THR 349 Ca -0.05 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 3bga s THR 349 Cb -0.13 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 3bga s THR 349 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 3bga n GLY 350 N -0.58 -0.80 3.82 6.08 0.00 -1.26 0.17 105.19 112.62 3bga n GLY 350 Ca -0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 3bga n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s GLU 352 N -3.07 4.54 -0.08 0.00 0.41 -1.26 -0.68 118.70 118.56 3bga s GLU 352 Ca 0.14 1.21 0.05 0.00 -0.41 0.00 0.00 54.97 55.95 3bga s GLU 352 Cb -0.04 -2.97 -0.00 0.00 -1.78 0.00 0.00 34.13 29.34 3bga s GLU 352 CO 0.06 0.40 -0.23 0.08 -0.49 0.00 0.00 175.26 175.08 3bga s VAL 353 N -1.44 1.93 -0.17 2.63 1.01 0.69 -4.78 120.40 120.27 3bga s VAL 353 Ca 0.44 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3bga s VAL 353 Cb -0.20 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.55 3bga s VAL 353 CO 0.25 0.53 -0.09 -0.83 0.00 0.00 0.00 175.10 174.96 3bga s GLY 354 N 0.18 1.12 -0.24 4.51 0.00 -1.26 0.05 107.32 111.68 3bga s GLY 354 Ca -0.13 -0.99 -0.29 0.00 0.00 0.00 0.00 44.72 43.32 3bga s GLY 354 CO 0.06 0.74 1.12 -1.36 0.00 0.00 0.00 173.10 173.66 3bga s PHE 355 N 1.51 3.14 -0.13 1.90 0.08 -1.26 -4.77 117.98 118.44 3bga s PHE 355 Ca 0.01 1.27 -0.34 0.00 0.12 0.00 0.00 56.93 57.99 3bga s PHE 355 Cb -0.15 -3.45 0.13 0.00 -0.57 0.00 0.00 43.02 38.98 3bga s PHE 355 CO -0.09 -0.91 1.22 -0.98 -0.10 0.00 0.00 175.22 174.37 3bga s ARG 356 N 3.43 0.36 0.12 0.44 3.03 -1.08 -0.07 118.95 125.18 3bga s ARG 356 Ca 0.48 -0.16 0.11 0.00 2.03 0.00 0.00 55.73 58.19 3bga s ARG 356 Cb -0.16 0.15 -0.04 0.00 -1.03 0.00 0.00 34.95 33.87 3bga s ARG 356 CO 0.11 -0.16 -0.26 0.95 -1.13 0.00 0.00 175.30 174.81 3bga s THR 357 N -2.45 2.30 -0.14 4.99 -4.23 -1.26 -4.42 115.64 110.43 3bga s THR 357 Ca 0.11 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 3bga s THR 357 Cb 0.01 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.88 3bga s THR 357 CO -0.04 0.11 0.03 -0.55 -0.54 0.00 0.00 174.62 173.63 3bga s SER 358 N -2.01 2.32 0.24 3.99 0.15 -1.26 -1.32 113.70 115.82 3bga s SER 358 Ca 0.14 -0.51 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 3bga s SER 358 Cb -0.10 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 3bga s SER 358 CO 0.06 -0.27 0.53 -1.83 1.20 0.00 0.00 173.24 172.93 3bga s GLU 359 N 1.94 1.56 -0.44 5.44 -1.05 -0.84 -3.97 118.70 121.34 3bga s GLU 359 Ca 0.02 -1.13 -0.10 0.00 -0.15 0.00 0.00 54.97 53.60 3bga s GLU 359 Cb -0.15 0.50 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 3bga s GLU 359 CO -0.07 -0.66 0.29 0.42 0.95 0.00 0.00 175.26 176.19 3bga s ILE 360 N -3.97 4.36 -0.17 1.83 -1.09 -1.26 -0.33 121.20 120.57 3bga s ILE 360 Ca 0.18 -1.42 -0.02 0.00 -2.23 0.00 0.00 60.65 57.15 3bga s ILE 360 Cb -0.02 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 3bga s ILE 360 CO 0.06 -0.56 -0.08 -0.75 -1.23 0.00 0.00 174.94 172.38 3bga s LYS 361 N 1.44 3.40 -1.46 2.79 2.20 0.86 -4.62 119.74 124.36 3bga s LYS 361 Ca 0.04 -0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 3bga s LYS 361 Cb -0.24 -2.83 0.05 0.00 -1.51 0.00 0.00 37.83 33.30 3bga s LYS 361 CO 0.02 0.02 0.78 -0.25 -0.36 0.00 0.00 175.35 175.56 3bga n ASP 362 N 4.13 -5.18 0.00 1.43 8.00 -1.26 -0.76 116.55 122.90 3bga n ASP 362 Ca -0.18 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3bga n ASP 362 Cb 0.52 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 3bga n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 363 N -1.56 0.49 3.17 0.44 0.00 -1.26 -5.03 105.19 101.45 3bga n GLY 363 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3bga n GLY 363 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 364 N -0.23 1.68 -0.05 1.61 0.52 0.06 -2.61 118.95 119.94 3bga s ARG 364 Ca 0.00 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 3bga s ARG 364 Cb 0.00 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 3bga s ARG 364 CO 0.00 0.34 1.38 0.12 0.02 0.00 0.00 175.30 177.15 3bga s PHE 365 N -0.23 2.77 -0.04 -0.53 5.36 -1.26 -0.10 117.98 123.96 3bga s PHE 365 Ca 0.02 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 3bga s PHE 365 Cb -0.09 -3.63 0.01 0.00 -0.34 0.00 0.00 43.02 38.97 3bga s PHE 365 CO 0.01 -2.32 -0.08 0.00 -1.46 0.00 0.00 175.22 171.37 3bga s ILE 367 N 0.55 4.80 -1.55 0.00 -1.09 0.08 -1.99 121.20 122.00 3bga s ILE 367 Ca -0.09 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.18 3bga s ILE 367 Cb -0.12 -3.22 0.09 0.00 -1.58 0.00 0.00 42.46 37.63 3bga s ILE 367 CO 0.01 0.37 0.92 0.59 -1.23 0.00 0.00 174.94 175.60 3bga n ASN 368 N 4.33 -4.21 0.00 3.58 5.03 -0.43 -1.00 115.26 122.56 3bga n ASN 368 Ca -0.16 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.47 3bga n ASN 368 Cb 0.52 -3.68 0.00 0.00 -1.02 0.00 0.00 39.78 35.59 3bga n ASN 368 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bga n GLY 369 N -1.65 2.14 3.66 7.41 0.00 -1.26 -4.92 105.19 110.57 3bga n GLY 369 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3bga n GLY 369 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bga s VAL 370 N -3.27 4.75 -0.07 1.61 1.01 -0.17 -5.01 120.40 119.24 3bga s VAL 370 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3bga s VAL 370 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3bga s VAL 370 CO 0.00 0.50 1.33 -2.84 0.00 0.00 0.00 175.10 174.10 3bga s PRO 371 N 0.02 4.27 0.05 2.72 0.02 -1.26 -0.74 135.00 140.08 3bga s PRO 371 Ca 0.05 1.82 0.07 0.00 0.02 0.00 0.00 61.00 62.96 3bga s PRO 371 Cb -0.12 -3.68 -0.03 0.00 0.02 0.00 0.00 34.50 30.68 3bga s PRO 371 CO 0.01 -0.62 -0.17 0.14 -0.33 0.00 0.00 177.00 176.04 3bga s VAL 372 N 2.90 2.90 -0.08 3.83 -7.23 -1.06 -4.95 120.40 116.72 3bga s VAL 372 Ca 0.60 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 3bga s VAL 372 Cb -0.27 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 3bga s VAL 372 CO 0.22 0.31 0.83 -0.76 -0.31 0.00 0.00 175.10 175.39 3bga s LEU 373 N -1.53 4.29 -0.47 1.32 1.43 -1.26 -4.89 118.68 117.57 3bga s LEU 373 Ca 0.15 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.36 3bga s LEU 373 Cb -0.11 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.86 3bga s LEU 373 CO 0.06 -0.25 0.77 -0.69 0.23 0.00 0.00 176.35 176.48 3bga s VAL 374 N 1.29 4.66 -0.87 -1.59 1.01 0.75 -4.95 120.40 120.70 3bga s VAL 374 Ca 0.42 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 3bga s VAL 374 Cb -0.18 -4.33 0.22 0.00 0.00 0.00 0.00 36.38 32.09 3bga s VAL 374 CO 0.19 -0.76 0.78 0.29 0.00 0.00 0.00 175.10 175.61 3bga n LYS 375 N 6.71 2.63 -3.15 2.72 5.02 -1.26 -1.57 118.16 129.26 3bga n LYS 375 Ca 0.01 -4.50 -0.17 0.00 -2.02 0.00 0.00 58.31 51.63 3bga n LYS 375 Cb 0.48 -2.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.08 3bga n LYS 375 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bga n GLY 376 N 2.11 3.22 3.21 0.72 0.00 -0.35 -0.59 105.19 113.51 3bga n GLY 376 Ca 0.22 -2.27 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 3bga n GLY 376 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bga s THR 377 N -1.80 0.07 0.29 2.61 -1.32 -1.26 -1.67 115.64 112.56 3bga s THR 377 Ca 0.12 -0.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.88 3bga s THR 377 Cb -0.01 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 70.23 3bga s THR 377 CO 0.07 -0.34 0.62 0.20 -2.21 0.00 0.00 174.62 172.96 3bga s ASN 378 N -1.59 6.59 -0.13 8.08 0.01 0.08 -1.07 114.94 126.92 3bga s ASN 378 Ca -0.11 0.97 -0.05 0.00 -0.71 0.00 0.00 52.86 52.96 3bga s ASN 378 Cb -0.04 -2.25 0.06 0.00 0.41 0.00 0.00 41.25 39.43 3bga s ASN 378 CO 0.01 -0.17 0.27 -0.60 -1.51 0.00 0.00 177.10 175.10 3bga s ARG 379 N -3.17 0.17 0.32 -0.60 3.52 -0.40 -0.77 118.95 118.02 3bga s ARG 379 Ca 0.48 0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 56.81 3bga s ARG 379 Cb -0.11 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 3bga s ARG 379 CO 0.24 -0.27 0.55 -1.01 -0.81 0.00 0.00 175.30 174.00 3bga s HIS 380 N 2.30 3.49 -0.30 5.12 3.76 -1.26 -2.50 115.29 125.91 3bga s HIS 380 Ca -0.00 0.49 -0.21 0.00 -0.15 0.00 0.00 55.06 55.19 3bga s HIS 380 Cb -0.12 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 3bga s HIS 380 CO -0.09 0.14 0.67 -1.21 -0.85 0.00 0.00 174.74 173.40 3bga s GLU 381 N -3.96 3.94 -0.11 1.40 2.02 -1.26 -4.87 118.70 115.85 3bga s GLU 381 Ca 0.42 0.40 -0.15 0.00 0.02 0.00 0.00 54.97 55.66 3bga s GLU 381 Cb -0.10 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.45 3bga s GLU 381 CO 0.34 -0.58 0.40 -1.58 0.02 0.00 0.00 175.26 173.86 3bga s HIS 382 N 2.69 -0.39 0.38 1.61 2.46 -1.26 -4.46 115.29 116.31 3bga s HIS 382 Ca 0.27 0.89 -0.16 0.00 0.47 0.00 0.00 55.06 56.53 3bga s HIS 382 Cb -0.15 0.15 0.05 0.00 -0.13 0.00 0.00 32.58 32.51 3bga s HIS 382 CO 0.12 -0.29 0.79 -1.54 -2.47 0.00 0.00 174.74 171.34 3bga s SER 383 N -0.28 0.01 0.12 9.88 1.04 -0.52 -4.91 113.70 119.05 3bga s SER 383 Ca -0.04 -1.15 0.16 0.00 0.48 0.00 0.00 55.95 55.40 3bga s SER 383 Cb -0.03 0.85 0.69 0.00 0.10 0.00 0.00 66.02 67.63 3bga s SER 383 CO 0.02 -1.69 1.48 0.00 0.98 0.00 0.00 173.24 174.04 3bga n GLN 384 N -0.53 0.08 0.00 4.02 1.13 -1.26 -1.37 117.38 119.45 3bga n GLN 384 Ca -0.08 0.40 0.13 0.00 -1.94 0.00 0.00 57.00 55.51 3bga n GLN 384 Cb 0.60 -1.68 0.24 0.00 0.11 0.00 0.00 30.24 29.52 3bga n GLN 384 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3bga n LEU 385 N -1.83 2.02 0.00 1.08 4.77 -1.26 -4.92 117.00 116.86 3bga n LEU 385 Ca 0.02 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3bga n LEU 385 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3bga n LEU 385 CO 0.12 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3bga n GLY 386 N 1.32 0.48 0.23 -0.72 0.00 -0.47 -3.07 105.19 102.96 3bga n GLY 386 Ca 0.14 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.73 3bga n GLY 386 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bga h ARG 387 N 0.00 0.00 -6.56 1.61 9.65 -1.85 -1.37 114.38 115.86 3bga h ARG 387 Ca 0.00 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 3bga h ARG 387 Cb 0.00 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3bga h ARG 387 CO 0.00 0.18 0.84 0.99 2.80 0.00 0.00 179.97 184.78 3bga s THR 388 N -3.68 2.95 -0.07 0.20 2.01 -1.26 -4.42 115.64 111.37 3bga s THR 388 Ca 0.00 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.67 3bga s THR 388 Cb 0.10 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 69.21 3bga s THR 388 CO 0.62 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.76 3bga s VAL 389 N 1.37 1.30 0.66 3.82 1.01 -1.26 -4.16 120.40 123.14 3bga s VAL 389 Ca 0.68 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3bga s VAL 389 Cb -0.40 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3bga s VAL 389 CO 0.31 0.39 1.05 -0.94 0.00 0.00 0.00 175.10 175.91 3bga s SER 390 N 0.63 5.81 0.33 3.32 1.04 -1.26 -4.96 113.70 118.60 3bga s SER 390 Ca -0.15 1.44 0.02 0.00 0.48 0.00 0.00 55.95 57.74 3bga s SER 390 Cb -0.16 -2.40 0.56 0.00 0.10 0.00 0.00 66.02 64.12 3bga s SER 390 CO 0.04 -1.15 1.93 0.11 0.98 0.00 0.00 173.24 175.16 3bga h LYS 391 N -0.51 0.78 -0.71 4.02 1.57 -2.03 -2.31 116.57 117.38 3bga h LYS 391 Ca -0.44 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3bga h LYS 391 Cb 1.21 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 3bga h LYS 391 CO 0.61 0.61 0.47 0.93 -0.57 0.00 0.00 179.45 181.49 3bga h GLU 392 N 0.78 0.94 -1.42 3.15 3.07 -2.05 0.57 114.58 119.62 3bga h GLU 392 Ca 0.19 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3bga h GLU 392 Cb 0.09 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3bga h GLU 392 CO -0.03 0.63 0.00 1.28 -1.40 0.00 0.00 179.01 179.50 3bga n LEU 393 N -4.58 1.92 0.00 1.33 4.77 -0.87 -1.72 117.00 117.85 3bga n LEU 393 Ca 0.06 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3bga n LEU 393 Cb 0.02 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3bga n LEU 393 CO 0.36 0.32 0.00 -0.62 -1.33 0.00 0.00 177.39 176.12 3bga n GLU 395 N 0.75 0.00 -0.07 3.23 1.02 0.19 -0.28 120.64 125.48 3bga n GLU 395 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3bga n GLU 395 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.67 3bga n GLU 395 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3bga h GLN 396 N 0.00 0.46 0.00 3.49 4.15 -1.58 -1.08 115.11 120.55 3bga h GLN 396 Ca 0.00 -0.20 0.03 0.00 0.77 0.00 0.00 58.65 59.25 3bga h GLN 396 Cb 0.00 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3bga h GLN 396 CO 0.00 0.74 -0.28 -0.44 -1.93 0.00 0.00 178.83 176.92 3bga h ASP 397 N 0.16 -0.84 -0.66 -0.69 3.32 -0.92 0.34 116.42 117.13 3bga h ASP 397 Ca 0.05 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3bga h ASP 397 Cb 0.61 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 3bga h ASP 397 CO 0.03 -0.35 0.27 -0.29 -1.72 0.00 0.00 179.24 177.18 3bga h ILE 398 N -0.43 1.23 0.08 0.35 -0.00 -1.82 -2.94 117.51 113.98 3bga h ILE 398 Ca 0.06 -0.74 -0.00 0.00 -0.00 0.00 0.00 64.86 64.18 3bga h ILE 398 Cb 0.51 0.42 0.00 0.00 -0.00 0.00 0.00 36.82 37.76 3bga h ILE 398 CO -0.24 0.30 -0.04 -0.09 -0.00 0.00 0.00 178.15 178.08 3bga h ARG 399 N 0.98 -0.10 -1.67 2.19 2.43 -0.54 -1.22 114.38 116.45 3bga h ARG 399 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3bga h ARG 399 Cb 0.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3bga h ARG 399 CO -0.02 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.78 3bga n LEU 400 N -5.07 0.22 0.00 3.80 4.77 0.05 -1.15 117.00 119.61 3bga n LEU 400 Ca -0.08 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3bga n LEU 400 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3bga n LEU 400 CO 0.33 0.04 0.00 0.29 -1.33 0.00 0.00 177.39 176.72 3bga n LYS 402 N 0.89 0.00 0.21 3.23 4.76 -0.46 -1.68 118.16 125.10 3bga n LYS 402 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 3bga n LYS 402 Cb 0.04 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 33.67 3bga n LYS 402 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3bga h GLN 403 N 0.00 0.00 -0.72 1.97 4.20 -1.39 -2.89 115.11 116.29 3bga h GLN 403 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3bga h GLN 403 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 3bga h GLN 403 CO 0.00 0.28 0.23 0.72 -0.67 0.00 0.00 178.83 179.40 3bga n HIS 404 N -4.14 2.41 -2.54 2.96 8.25 -0.68 -4.93 115.22 116.56 3bga n HIS 404 Ca -0.02 -1.15 -0.18 0.00 -0.26 0.00 0.00 57.72 56.12 3bga n HIS 404 Cb 0.33 -0.67 0.01 0.00 1.12 0.00 0.00 29.99 30.78 3bga n HIS 404 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3bga n ASN 405 N -0.06 -5.17 -4.78 0.41 3.02 -1.09 -3.93 115.26 103.66 3bga n ASN 405 Ca 0.39 -0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.46 3bga n ASN 405 Cb 1.37 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 3bga n ASN 405 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bga s ILE 406 N -2.94 5.02 -0.25 2.41 1.01 -1.26 -4.73 121.20 120.47 3bga s ILE 406 Ca 0.09 0.98 0.09 0.00 0.00 0.00 0.00 60.65 61.82 3bga s ILE 406 Cb -0.04 -3.80 0.44 0.00 0.01 0.00 0.00 42.46 39.06 3bga s ILE 406 CO 0.12 0.47 1.23 -0.46 0.00 0.00 0.00 174.94 176.29 3bga n ASN 407 N 2.56 2.99 -3.65 3.58 6.94 0.24 -4.43 115.26 123.50 3bga n ASN 407 Ca -0.10 -3.85 -0.01 0.00 -0.02 0.00 0.00 54.58 50.61 3bga n ASN 407 Cb 0.52 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 3bga n ASN 407 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3bga s VAL 409 N -3.76 0.00 -0.23 3.53 0.11 -0.30 -0.97 120.40 118.77 3bga s VAL 409 Ca 0.43 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.41 3bga s VAL 409 Cb 0.39 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3bga s VAL 409 CO -0.03 0.00 0.07 -0.60 -3.33 0.00 0.00 175.10 171.21 3bga s ARG 410 N 0.94 3.73 -1.14 1.54 3.52 -0.23 -1.36 118.95 125.96 3bga s ARG 410 Ca -0.05 -0.45 -0.21 0.00 -0.13 0.00 0.00 55.73 54.89 3bga s ARG 410 Cb -0.03 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 3bga s ARG 410 CO -0.12 -0.08 1.91 0.09 -0.81 0.00 0.00 175.30 176.29 3bga n ASN 411 N 4.60 3.37 -1.46 -2.12 3.02 -0.65 -1.27 115.26 120.74 3bga n ASN 411 Ca -0.16 -2.75 -0.03 0.00 -0.03 0.00 0.00 54.58 51.61 3bga n ASN 411 Cb 0.52 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 3bga n ASN 411 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bga n SER 412 N 11.34 -0.62 -2.64 6.41 7.64 -1.04 -2.25 113.62 132.45 3bga n SER 412 Ca 0.47 -0.37 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 3bga n SER 412 Cb 0.45 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 3bga n SER 412 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bga n HIS 413 N 1.70 -1.56 0.00 1.43 8.25 -1.26 -4.81 115.22 118.97 3bga n HIS 413 Ca 0.10 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 3bga n HIS 413 Cb 0.12 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.09 3bga n HIS 413 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 3bga n TYR 414 N -4.31 0.00 -2.04 4.41 0.18 -0.96 -4.12 117.16 110.33 3bga n TYR 414 Ca -0.15 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.27 3bga n TYR 414 Cb 0.63 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.62 3bga n TYR 414 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 3bga s PRO 415 N -1.99 3.20 0.57 -3.48 0.02 -0.77 -4.56 135.00 127.99 3bga s PRO 415 Ca 0.00 1.89 0.05 0.00 0.02 0.00 0.00 61.00 62.95 3bga s PRO 415 Cb 0.00 -2.10 0.10 0.00 0.02 0.00 0.00 34.50 32.52 3bga s PRO 415 CO 0.00 -1.04 0.79 0.25 -0.33 0.00 0.00 177.00 176.67 3bga n THR 416 N -1.21 0.00 -2.06 0.99 -2.24 -1.26 -4.82 114.28 103.68 3bga n THR 416 Ca 0.11 -1.56 -0.41 0.00 -2.27 0.00 0.00 64.05 59.92 3bga n THR 416 Cb 0.48 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 3bga n THR 416 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bga s HIS 417 N -2.41 2.97 0.38 4.78 2.46 -1.26 -4.89 115.29 117.32 3bga s HIS 417 Ca 0.56 1.35 0.21 0.00 0.47 0.00 0.00 55.06 57.65 3bga s HIS 417 Cb -0.04 -3.74 1.24 0.00 -0.13 0.00 0.00 32.58 29.90 3bga s HIS 417 CO 0.36 -2.09 1.64 -1.35 -2.47 0.00 0.00 174.74 170.84 3bga h PRO 418 N 3.41 0.20 -0.64 2.88 0.11 -1.98 -0.94 132.00 135.04 3bga h PRO 418 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3bga h PRO 418 Cb 1.23 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3bga h PRO 418 CO 0.66 0.13 0.43 -0.92 -0.21 0.00 0.00 178.00 178.08 3bga h TYR 419 N 0.20 0.66 -0.97 0.65 3.20 -2.00 -2.46 116.97 116.24 3bga h TYR 419 Ca 0.77 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.66 3bga h TYR 419 Cb 2.03 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 40.04 3bga h TYR 419 CO -0.01 0.36 0.63 2.35 -1.64 0.00 0.00 178.16 179.85 3bga h TRP 420 N 0.66 1.24 -0.42 -3.82 -0.00 -1.53 -1.60 115.95 110.48 3bga h TRP 420 Ca 0.27 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 59.05 3bga h TRP 420 Cb 0.25 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.16 28.98 3bga h TRP 420 CO -0.00 0.79 -0.27 1.88 -0.00 0.00 0.00 178.44 180.84 3bga h TYR 421 N 1.33 1.03 -0.50 2.65 0.05 -1.58 -2.23 116.97 117.71 3bga h TYR 421 Ca 0.36 -0.26 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 3bga h TYR 421 Cb -0.13 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 3bga h TYR 421 CO 0.00 1.05 0.11 1.96 -1.05 0.00 0.00 178.16 180.23 3bga h GLN 422 N 0.76 0.77 -0.26 4.88 4.20 -1.25 -0.67 115.11 123.54 3bga h GLN 422 Ca 0.09 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3bga h GLN 422 Cb 0.83 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3bga h GLN 422 CO 0.07 0.71 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.82 3bga h LEU 423 N 0.74 0.48 -1.14 1.46 3.38 -1.15 -2.11 115.31 116.98 3bga h LEU 423 Ca 0.16 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3bga h LEU 423 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3bga h LEU 423 CO 0.00 0.73 -0.08 0.00 0.09 0.00 0.00 178.44 179.18 3bga h ASP 425 N 0.48 0.70 -0.10 0.00 3.32 -1.01 -1.33 116.42 118.47 3bga h ASP 425 Ca 0.09 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.65 3bga h ASP 425 Cb 0.43 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.80 3bga h ASP 425 CO 0.02 0.85 -0.63 -0.09 -1.72 0.00 0.00 179.24 177.67 3bga h ARG 426 N 0.54 0.61 -0.02 3.56 2.43 -0.97 -3.33 114.38 117.20 3bga h ARG 426 Ca 0.11 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3bga h ARG 426 Cb 0.49 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3bga h ARG 426 CO 0.02 1.14 -0.15 0.66 -1.51 0.00 0.00 179.97 180.13 3bga n TYR 427 N -4.11 0.00 -1.77 2.20 4.01 0.31 -4.80 117.16 112.99 3bga n TYR 427 Ca -0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3bga n TYR 427 Cb 0.67 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 3bga n TYR 427 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bga n GLY 428 N 1.33 -2.72 3.17 2.72 0.00 -0.54 -4.85 105.19 104.29 3bga n GLY 428 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3bga n GLY 428 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bga s LEU 429 N -0.55 -0.38 0.00 0.99 2.96 -0.94 -4.61 118.68 116.15 3bga s LEU 429 Ca 0.01 0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 54.69 3bga s LEU 429 Cb -0.00 1.10 0.07 0.00 0.50 0.00 0.00 46.19 47.86 3bga s LEU 429 CO 0.17 -0.22 0.25 -1.22 -1.32 0.00 0.00 176.35 174.01 3bga n TYR 430 N 5.13 -3.14 -3.23 5.38 4.01 -0.15 -4.73 117.16 120.43 3bga n TYR 430 Ca -0.11 -0.23 -0.02 0.00 -0.16 0.00 0.00 57.90 57.38 3bga n TYR 430 Cb 0.51 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 3bga n TYR 430 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3bga s ILE 432 N -1.45 -0.82 0.31 -0.72 1.01 -0.46 -1.15 121.20 117.90 3bga s ILE 432 Ca 0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 3bga s ILE 432 Cb -0.02 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 3bga s ILE 432 CO 0.13 -0.10 0.81 -0.62 0.00 0.00 0.00 174.94 175.16 3bga s ASP 433 N 2.71 7.01 -0.02 3.58 2.15 -0.72 -1.64 116.67 129.74 3bga s ASP 433 Ca 0.14 1.51 0.02 0.00 0.43 0.00 0.00 52.55 54.65 3bga s ASP 433 Cb -0.13 -2.46 -0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3bga s ASP 433 CO -0.23 -0.13 -0.09 -0.70 -0.17 0.00 0.00 175.17 173.85 3bga s GLU 434 N -2.50 0.82 0.46 4.34 2.12 -1.26 -0.47 118.70 122.20 3bga s GLU 434 Ca 0.51 -0.30 -0.24 0.00 0.36 0.00 0.00 54.97 55.31 3bga s GLU 434 Cb -0.14 -0.78 -0.07 0.00 0.26 0.00 0.00 34.13 33.40 3bga s GLU 434 CO 0.19 0.14 1.23 0.00 -0.54 0.00 0.00 175.26 176.28 3bga s ALA 435 N 0.02 3.03 -1.06 6.30 0.00 -0.76 -1.84 121.76 127.45 3bga s ALA 435 Ca -0.00 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.84 3bga s ALA 435 Cb -0.06 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3bga s ALA 435 CO 0.00 -0.81 2.00 -1.71 0.00 0.00 0.00 175.76 175.25 3bga n ASN 436 N -0.38 3.17 -3.62 0.00 5.15 -1.26 -3.88 115.26 114.45 3bga n ASN 436 Ca 0.07 -2.75 -0.24 0.00 -0.60 0.00 0.00 54.58 51.06 3bga n ASN 436 Cb 0.46 -1.40 -0.17 0.00 -0.53 0.00 0.00 39.78 38.15 3bga n ASN 436 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3bga s ILE 437 N 5.08 -0.11 -0.25 -1.44 1.01 -1.25 -4.80 121.20 119.43 3bga s ILE 437 Ca 0.55 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 3bga s ILE 437 Cb 0.12 -0.48 0.12 0.00 0.01 0.00 0.00 42.46 42.22 3bga s ILE 437 CO 0.06 -0.17 0.53 -0.70 0.00 0.00 0.00 174.94 174.65 3bga s GLU 438 N 2.16 0.45 -0.31 2.79 2.12 0.29 -1.06 118.70 125.14 3bga s GLU 438 Ca 0.03 1.20 0.10 0.00 0.36 0.00 0.00 54.97 56.65 3bga s GLU 438 Cb -0.15 0.55 0.46 0.00 0.26 0.00 0.00 34.13 35.25 3bga s GLU 438 CO -0.08 -0.27 1.15 -1.13 -0.54 0.00 0.00 175.26 174.39 3bga n SER 439 N 5.42 4.12 -0.34 -1.70 3.41 -1.21 -0.53 113.62 122.79 3bga n SER 439 Ca -0.09 -3.39 0.17 0.00 -0.26 0.00 0.00 58.87 55.30 3bga n SER 439 Cb 0.49 -0.40 0.39 0.00 -0.26 0.00 0.00 64.21 64.44 3bga n SER 439 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3bga h HIS 440 N 2.37 0.98 0.00 7.33 6.17 -1.65 -3.24 115.15 127.10 3bga h HIS 440 Ca 0.24 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.36 3bga h HIS 440 Cb 1.37 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 31.01 3bga h HIS 440 CO 0.77 0.10 0.00 0.41 0.71 0.00 0.00 177.93 179.91 3bga n GLY 441 N -1.34 0.22 3.20 5.26 0.00 -1.11 -4.80 105.19 106.63 3bga n GLY 441 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 3bga n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 443 N 1.41 1.06 0.70 -0.02 0.00 -1.23 -4.90 105.19 102.21 3bga n GLY 443 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 44.88 3bga n GLY 443 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bga n TYR 444 N -0.48 0.38 -0.35 1.61 4.01 -1.26 -4.22 117.16 116.85 3bga n TYR 444 Ca -0.07 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 3bga n TYR 444 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3bga n TYR 444 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bga n GLY 445 N 0.73 -0.47 0.41 2.72 0.00 -1.26 -4.75 105.19 102.57 3bga n GLY 445 Ca 0.12 -1.68 0.21 0.00 0.00 0.00 0.00 46.02 44.67 3bga n GLY 445 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bga h PRO 446 N 0.00 0.28 -0.00 1.61 0.11 -2.00 -0.37 132.00 131.63 3bga h PRO 446 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3bga h PRO 446 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3bga h PRO 446 CO 0.00 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 177.97 3bga n ALA 447 N -2.57 2.66 -1.68 -0.75 0.00 -1.26 -4.84 120.51 112.06 3bga n ALA 447 Ca 0.18 -0.23 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 3bga n ALA 447 Cb 0.74 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3bga n ALA 447 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bga n SER 448 N -0.88 3.07 0.00 0.00 2.88 -0.15 -4.84 113.62 113.70 3bga n SER 448 Ca 0.22 1.13 0.06 0.00 -1.33 0.00 0.00 58.87 58.94 3bga n SER 448 Cb 0.17 -1.46 0.27 0.00 -0.75 0.00 0.00 64.21 62.44 3bga n SER 448 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bga n LEU 449 N 2.54 0.00 0.14 2.46 4.77 -1.26 -1.27 117.00 124.38 3bga n LEU 449 Ca 0.13 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 3bga n LEU 449 Cb 0.32 -0.43 0.42 0.00 -2.33 0.00 0.00 43.42 41.40 3bga n LEU 449 CO 0.63 -0.25 0.88 0.00 -1.33 0.00 0.00 177.39 177.31 3bga h ALA 450 N 2.47 1.00 0.00 -1.18 0.00 -1.89 -3.15 119.26 116.51 3bga h ALA 450 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bga h ALA 450 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3bga h ALA 450 CO 0.00 0.00 -1.39 1.63 0.00 0.00 0.00 179.25 179.49 3bga n LYS 451 N -2.44 0.92 -2.71 0.00 5.02 -0.39 -1.95 118.16 116.61 3bga n LYS 451 Ca 0.04 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 3bga n LYS 451 Cb 0.38 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3bga n LYS 451 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bga s ASP 452 N -3.41 6.31 0.61 4.39 -1.08 -1.16 -4.79 116.67 117.52 3bga s ASP 452 Ca -0.01 -0.34 0.29 0.00 -0.52 0.00 0.00 52.55 51.97 3bga s ASP 452 Cb 0.11 -2.49 1.60 0.00 -1.46 0.00 0.00 42.92 40.68 3bga s ASP 452 CO 0.69 -1.45 1.99 -1.28 0.52 0.00 0.00 175.17 175.64 3bga h SER 453 N 9.56 0.00 0.45 -0.34 0.87 -1.89 -0.90 113.55 121.29 3bga h SER 453 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3bga h SER 453 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 3bga h SER 453 CO 1.17 0.00 0.00 0.35 -0.53 0.00 0.00 176.83 177.82 3bga n THR 454 N -3.58 0.89 -0.39 2.23 -2.24 -1.26 -1.90 114.28 108.04 3bga n THR 454 Ca 0.04 0.22 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 3bga n THR 454 Cb 0.47 -0.97 0.29 0.00 -2.10 0.00 0.00 70.33 68.02 3bga n THR 454 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3bga n TRP 455 N -1.45 0.95 -0.00 4.78 7.02 -0.34 -4.55 117.44 123.84 3bga n TRP 455 Ca 0.04 -0.53 -0.11 0.00 -1.02 0.00 0.00 57.50 55.88 3bga n TRP 455 Cb 0.16 -0.06 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 3bga n TRP 455 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3bga h LEU 456 N 3.65 0.11 -0.77 -0.99 5.85 -1.53 -1.56 115.31 120.08 3bga h LEU 456 Ca 0.00 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3bga h LEU 456 Cb 1.02 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 3bga h LEU 456 CO 0.05 0.10 0.40 0.74 -0.34 0.00 0.00 178.44 179.38 3bga h THR 457 N 0.12 0.85 -0.04 1.05 2.02 -1.83 -2.07 112.91 113.02 3bga h THR 457 Ca 0.04 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3bga h THR 457 Cb 0.00 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3bga h THR 457 CO -0.01 0.12 0.02 0.00 0.37 0.00 0.00 175.52 176.02 3bga h ALA 458 N 1.46 0.05 0.00 6.16 0.00 -1.70 0.12 119.26 125.34 3bga h ALA 458 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3bga h ALA 458 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3bga h ALA 458 CO -0.28 -0.43 0.00 0.72 0.00 0.00 0.00 179.25 179.27 3bga n HIS 459 N -5.03 0.00 0.00 0.00 -0.00 -0.62 -2.48 115.22 107.09 3bga n HIS 459 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 3bga n HIS 459 Cb 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 3bga n HIS 459 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3bga n ASP 461 N 0.46 0.00 0.07 0.41 2.03 0.41 -1.68 116.55 118.24 3bga n ASP 461 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3bga n ASP 461 Cb 0.05 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.62 3bga n ASP 461 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3bga h ARG 462 N 0.00 0.32 -0.19 -0.67 3.08 -1.72 -2.11 114.38 113.09 3bga h ARG 462 Ca 0.00 -0.17 -0.20 0.00 0.07 0.00 0.00 59.98 59.68 3bga h ARG 462 Cb 0.00 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3bga h ARG 462 CO 0.00 0.72 -0.65 1.15 -1.07 0.00 0.00 179.97 180.12 3bga h THR 463 N 0.26 1.29 -0.13 2.04 2.02 -1.60 -3.23 112.91 113.56 3bga h THR 463 Ca 0.02 -1.85 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 3bga h THR 463 Cb 0.91 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3bga h THR 463 CO 0.07 0.59 0.08 0.45 0.37 0.00 0.00 175.52 177.09 3bga h HIS 464 N 0.52 0.17 0.00 3.16 3.86 -1.80 -2.31 115.15 118.76 3bga h HIS 464 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3bga h HIS 464 Cb 1.27 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3bga h HIS 464 CO 0.09 0.14 0.00 0.54 0.86 0.00 0.00 177.93 179.56 3bga n ARG 465 N -4.98 0.07 0.00 2.45 1.74 -0.80 -1.06 116.66 114.08 3bga n ARG 465 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3bga n ARG 465 Cb 0.04 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3bga n ARG 465 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3bga n TYR 467 N 0.82 0.00 -0.24 -1.55 9.36 -0.87 -2.93 117.16 121.75 3bga n TYR 467 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3bga n TYR 467 Cb 0.03 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.85 3bga n TYR 467 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3bga h GLU 468 N 0.00 0.67 0.00 2.98 4.39 -1.36 0.55 114.58 121.81 3bga h GLU 468 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3bga h GLU 468 Cb 0.00 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3bga h GLU 468 CO 0.00 0.44 -0.21 0.07 -1.16 0.00 0.00 179.01 178.15 3bga h ARG 469 N 0.69 0.00 0.00 2.33 0.11 -1.60 -2.78 114.38 113.13 3bga h ARG 469 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3bga h ARG 469 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3bga h ARG 469 CO -0.19 0.21 0.00 0.43 0.10 0.00 0.00 179.97 180.52 3bga n SER 470 N -3.78 1.05 0.28 0.08 7.64 -1.07 -4.21 113.62 113.61 3bga n SER 470 Ca -0.02 -1.46 0.13 0.00 1.01 0.00 0.00 58.87 58.54 3bga n SER 470 Cb 0.32 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.13 3bga n SER 470 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3bga h LYS 471 N 0.00 0.00 -0.02 1.43 2.10 -0.99 -1.93 116.57 117.15 3bga h LYS 471 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3bga h LYS 471 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3bga h LYS 471 CO 0.00 0.00 -0.06 0.09 -2.00 0.00 0.00 179.45 177.48 3bga n ASN 472 N -2.93 2.41 -4.66 7.07 3.02 -1.26 -4.86 115.26 114.05 3bga n ASN 472 Ca 0.01 -1.77 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 3bga n ASN 472 Cb 0.60 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 3bga n ASN 472 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3bga s HIS 473 N -2.08 3.03 0.34 3.10 3.76 -0.73 -4.84 115.29 117.87 3bga s HIS 473 Ca 0.29 1.17 0.26 0.00 -0.15 0.00 0.00 55.06 56.64 3bga s HIS 473 Cb 0.20 -3.42 1.29 0.00 1.11 0.00 0.00 32.58 31.76 3bga s HIS 473 CO 0.35 -1.27 2.00 -1.00 -0.85 0.00 0.00 174.74 173.97 3bga h PRO 474 N 7.92 0.00 0.00 8.40 0.13 -1.86 -2.74 132.00 143.84 3bga h PRO 474 Ca -0.24 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 3bga h PRO 474 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3bga h PRO 474 CO 0.97 0.16 -0.31 0.00 -0.23 0.00 0.00 178.00 178.58 3bga h ALA 475 N 1.84 1.23 -1.90 -0.56 0.00 -1.87 -3.40 119.26 114.61 3bga h ALA 475 Ca -0.00 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 54.06 3bga h ALA 475 Cb 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3bga h ALA 475 CO 0.02 0.39 0.93 0.42 0.00 0.00 0.00 179.25 181.02 3bga s ILE 476 N -4.00 4.24 -0.30 0.00 1.01 -1.04 -4.38 121.20 116.73 3bga s ILE 476 Ca -0.02 1.38 0.10 0.00 0.00 0.00 0.00 60.65 62.12 3bga s ILE 476 Cb 0.13 -4.32 -0.13 0.00 0.01 0.00 0.00 42.46 38.14 3bga s ILE 476 CO 0.68 -0.60 0.36 1.33 0.00 0.00 0.00 174.94 176.71 3bga n VAL 477 N 6.30 0.00 -3.80 2.92 0.24 -1.26 -4.95 118.33 117.78 3bga n VAL 477 Ca 0.14 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3bga n VAL 477 Cb 0.47 0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 33.42 3bga n VAL 477 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bga s ILE 478 N -2.28 -0.02 -0.18 1.34 1.01 -1.26 -3.77 121.20 116.04 3bga s ILE 478 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3bga s ILE 478 Cb 0.07 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 3bga s ILE 478 CO 0.43 0.02 0.12 0.26 0.00 0.00 0.00 174.94 175.77 3bga s TRP 479 N 0.43 3.41 -0.11 3.97 0.23 -0.62 -1.75 118.94 124.50 3bga s TRP 479 Ca -0.03 0.31 0.01 0.00 -2.03 0.00 0.00 56.10 54.37 3bga s TRP 479 Cb -0.04 -2.11 -0.02 0.00 0.03 0.00 0.00 33.47 31.33 3bga s TRP 479 CO -0.02 0.33 -0.14 0.45 0.96 0.00 0.00 176.95 178.53 3bga s SER 480 N 0.15 3.96 0.11 2.95 0.15 0.38 -0.30 113.70 121.10 3bga s SER 480 Ca 0.08 -0.30 0.24 0.00 0.70 0.00 0.00 55.95 56.67 3bga s SER 480 Cb -0.11 -1.38 0.94 0.00 -1.71 0.00 0.00 66.02 63.76 3bga s SER 480 CO -0.01 0.22 1.75 0.00 1.20 0.00 0.00 173.24 176.40 3bga n GLN 481 N 3.18 0.11 -1.40 5.44 6.02 -0.59 -1.83 117.38 128.31 3bga n GLN 481 Ca -0.18 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3bga n GLN 481 Cb 0.53 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3bga n GLN 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 482 N 0.85 0.14 3.51 1.08 0.00 -1.26 -4.41 105.19 105.10 3bga n GLY 482 Ca 0.05 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 3bga n GLY 482 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 483 N -4.00 -0.67 -1.01 1.61 2.47 -0.22 -4.75 114.94 108.38 3bga s ASN 483 Ca 0.00 1.23 -0.29 0.00 0.42 0.00 0.00 52.86 54.22 3bga s ASN 483 Cb 0.00 1.22 0.04 0.00 -1.45 0.00 0.00 41.25 41.06 3bga s ASN 483 CO 0.00 -0.21 0.56 -0.62 -3.72 0.00 0.00 177.10 173.11 3bga n GLU 484 N 3.10 -0.35 -0.19 0.43 1.02 -1.26 -4.16 120.64 119.23 3bga n GLU 484 Ca -0.15 -0.04 0.04 0.00 -0.02 0.00 0.00 57.16 56.99 3bga n GLU 484 Cb 0.56 -1.85 0.06 0.00 -0.02 0.00 0.00 31.44 30.19 3bga n GLU 484 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bga n ALA 485 N -4.37 2.02 -0.34 0.62 0.00 -1.26 -2.07 120.51 115.10 3bga n ALA 485 Ca -0.09 -1.68 0.05 0.00 0.00 0.00 0.00 53.44 51.71 3bga n ALA 485 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 3bga n ALA 485 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 486 N -0.71 -2.18 3.14 0.00 0.00 -1.26 -3.78 105.19 100.39 3bga n GLY 486 Ca 0.07 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 3bga n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 487 N -3.22 1.51 0.00 1.61 2.47 -1.26 -4.80 114.94 111.24 3bga s ASN 487 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.73 3bga s ASN 487 Cb 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 3bga s ASN 487 CO 0.00 -0.06 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 3bga n GLY 488 N 1.53 -0.69 0.26 1.21 0.00 -1.26 -4.54 105.19 101.69 3bga n GLY 488 Ca -0.20 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 44.86 3bga n GLY 488 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bga h ILE 489 N 0.00 0.77 -0.58 -0.61 6.09 -1.85 -2.02 117.51 119.32 3bga h ILE 489 Ca 0.00 -0.17 0.02 0.00 -1.37 0.00 0.00 64.86 63.34 3bga h ILE 489 Cb 0.00 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 37.48 3bga h ILE 489 CO 0.00 0.09 0.36 0.78 -3.07 0.00 0.00 178.15 176.31 3bga h ASN 490 N 0.50 0.60 1.19 2.19 -0.26 -1.73 -0.96 115.58 117.11 3bga h ASN 490 Ca 0.35 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 56.00 3bga h ASN 490 Cb 0.44 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 3bga h ASN 490 CO -0.31 0.42 -0.43 -0.26 -1.06 0.00 0.00 177.43 175.79 3bga h PHE 491 N 0.72 0.00 -0.21 1.19 0.04 -1.68 -2.08 116.94 114.92 3bga h PHE 491 Ca 0.23 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.81 3bga h PHE 491 Cb -0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3bga h PHE 491 CO -0.05 0.43 -0.61 0.93 -0.60 0.00 0.00 178.31 178.42 3bga h GLU 492 N 0.00 0.70 -0.02 1.51 5.08 -0.99 -1.62 114.58 119.25 3bga h GLU 492 Ca -0.00 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3bga h GLU 492 Cb 1.15 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3bga h GLU 492 CO 0.06 1.10 0.00 0.00 -1.00 0.00 0.00 179.01 179.17 3bga h ARG 493 N 0.52 0.03 -0.16 2.33 2.47 -1.08 -0.68 114.38 117.81 3bga h ARG 493 Ca -0.00 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 3bga h ARG 493 Cb 1.19 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 3bga h ARG 493 CO 0.12 0.30 -0.18 1.79 0.56 0.00 0.00 179.97 182.56 3bga h THR 494 N -0.24 1.21 -0.08 2.04 1.35 -1.41 -0.00 112.91 115.78 3bga h THR 494 Ca 0.01 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 3bga h THR 494 Cb 0.28 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3bga h THR 494 CO 0.00 0.29 0.02 0.22 -0.25 0.00 0.00 175.52 175.80 3bga h TYR 495 N 0.25 0.12 -0.59 4.73 3.20 -1.14 -1.51 116.97 122.04 3bga h TYR 495 Ca 0.05 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3bga h TYR 495 Cb 0.47 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3bga h TYR 495 CO 0.01 0.29 0.35 -0.44 -1.64 0.00 0.00 178.16 176.73 3bga h ASP 496 N -0.08 0.70 -0.08 -2.11 3.32 -0.64 -1.60 116.42 115.93 3bga h ASP 496 Ca 0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3bga h ASP 496 Cb 0.23 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3bga h ASP 496 CO -0.00 0.54 0.01 -0.25 -1.72 0.00 0.00 179.24 177.82 3bga h TRP 497 N 0.81 0.14 -0.69 4.55 7.01 -0.72 -1.59 115.95 125.46 3bga h TRP 497 Ca 0.21 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.26 3bga h TRP 497 Cb -0.03 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 3bga h TRP 497 CO 0.00 0.36 0.45 -0.07 -2.79 0.00 0.00 178.44 176.40 3bga h LEU 498 N -0.12 0.61 -0.70 0.65 3.38 -0.93 -1.07 115.31 117.14 3bga h LEU 498 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3bga h LEU 498 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3bga h LEU 498 CO 0.00 0.40 -0.04 0.11 0.09 0.00 0.00 178.44 179.00 3bga h LYS 499 N 0.70 0.96 0.00 1.13 6.56 -1.03 0.26 116.57 125.15 3bga h LYS 499 Ca 0.30 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 3bga h LYS 499 Cb 0.27 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 3bga h LYS 499 CO -0.10 0.97 -0.18 0.66 -2.06 0.00 0.00 179.45 178.75 3bga h SER 500 N 0.88 0.00 0.00 0.86 4.64 -0.20 -3.25 113.55 116.47 3bga h SER 500 Ca 0.15 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3bga h SER 500 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3bga h SER 500 CO 0.03 0.18 -1.78 1.33 -0.87 0.00 0.00 176.83 175.72 3bga n VAL 501 N -3.50 0.23 -3.90 0.95 0.24 -0.95 -4.95 118.33 106.45 3bga n VAL 501 Ca -0.01 -0.42 -0.35 0.00 -2.04 0.00 0.00 64.34 61.52 3bga n VAL 501 Cb 0.34 -0.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 3bga n VAL 501 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3bga s GLU 502 N -2.92 3.14 0.00 7.34 2.56 0.88 -4.95 118.70 124.76 3bga s GLU 502 Ca -0.06 -0.79 0.09 0.00 0.00 0.00 0.00 54.97 54.21 3bga s GLU 502 Cb 0.09 -3.07 0.09 0.00 2.00 0.00 0.00 34.13 33.23 3bga s GLU 502 CO 0.64 -0.31 0.82 1.63 -0.56 0.00 0.00 175.26 177.48 3bga n LYS 503 N 4.77 0.47 -0.12 4.30 4.76 -1.26 -4.64 118.16 126.43 3bga n LYS 503 Ca -0.17 -1.11 0.07 0.00 -2.87 0.00 0.00 58.31 54.22 3bga n LYS 503 Cb 0.49 -1.18 0.09 0.00 -1.84 0.00 0.00 35.03 32.59 3bga n LYS 503 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bga n GLY 504 N 0.49 3.62 3.27 0.72 0.00 -1.26 -5.04 105.19 106.99 3bga n GLY 504 Ca 0.06 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3bga n GLY 504 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 505 N -2.03 0.44 0.49 1.61 0.52 -1.25 -4.01 118.95 114.70 3bga s ARG 505 Ca 0.21 0.57 -0.21 0.00 -0.52 0.00 0.00 55.73 55.78 3bga s ARG 505 Cb 0.18 0.18 -0.08 0.00 0.52 0.00 0.00 34.95 35.75 3bga s ARG 505 CO 0.02 -0.07 1.07 -2.14 0.02 0.00 0.00 175.30 174.20 3bga s PRO 506 N 0.38 3.72 -0.16 3.54 0.02 -1.25 -4.84 135.00 136.42 3bga s PRO 506 Ca -0.01 1.47 -0.00 0.00 0.02 0.00 0.00 61.00 62.47 3bga s PRO 506 Cb -0.04 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3bga s PRO 506 CO -0.01 -0.52 -0.13 0.08 -0.33 0.00 0.00 177.00 176.09 3bga s VAL 507 N -1.86 2.85 0.13 3.83 1.01 -1.26 -1.58 120.40 123.51 3bga s VAL 507 Ca 0.67 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.01 3bga s VAL 507 Cb -0.20 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3bga s VAL 507 CO 0.23 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.69 3bga s GLN 508 N 0.77 1.09 -0.24 2.72 -2.07 0.59 -0.57 119.66 121.95 3bga s GLN 508 Ca -0.05 -1.29 -0.07 0.00 -1.82 0.00 0.00 55.36 52.13 3bga s GLN 508 Cb -0.15 -1.02 0.12 0.00 -1.09 0.00 0.00 33.01 30.86 3bga s GLN 508 CO 0.01 0.20 0.49 -0.47 -1.32 0.00 0.00 175.29 174.20 3bga s TYR 509 N -2.12 -1.02 0.23 9.60 5.04 -1.26 -1.54 117.35 126.28 3bga s TYR 509 Ca 0.11 1.67 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 3bga s TYR 509 Cb -0.05 0.43 0.21 0.00 0.35 0.00 0.00 41.96 42.90 3bga s TYR 509 CO 0.04 -0.60 1.85 1.49 -1.34 0.00 0.00 175.55 176.99 3bga h GLU 510 N 8.11 1.25 0.00 4.97 4.22 -1.89 -2.70 114.58 128.54 3bga h GLU 510 Ca -0.17 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.11 3bga h GLU 510 Cb 1.12 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3bga h GLU 510 CO 0.15 0.93 0.00 0.54 -2.18 0.00 0.00 179.01 178.44 3bga n ARG 511 N -4.32 0.03 0.00 1.92 5.12 -1.26 -1.88 116.66 116.27 3bga n ARG 511 Ca 0.09 0.22 0.14 0.00 -1.93 0.00 0.00 57.85 56.38 3bga n ARG 511 Cb 0.11 -1.55 0.66 0.00 -1.16 0.00 0.00 32.46 30.52 3bga n ARG 511 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bga n ALA 512 N -1.54 2.52 -0.18 7.54 0.00 -1.02 -4.56 120.51 123.27 3bga n ALA 512 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3bga n ALA 512 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3bga n ALA 512 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bga n GLU 513 N -1.34 0.00 -0.05 0.00 1.02 -0.79 -0.55 120.64 118.94 3bga n GLU 513 Ca 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 3bga n GLU 513 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.73 3bga n GLU 513 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bga n LEU 514 N 0.00 1.48 -4.66 -4.62 4.77 -1.26 -4.70 117.00 108.01 3bga n LEU 514 Ca 0.00 -1.67 -0.30 0.00 -0.03 0.00 0.00 56.01 54.01 3bga n LEU 514 Cb 0.00 -0.07 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 3bga n LEU 514 CO 0.00 0.41 0.66 0.20 -1.33 0.00 0.00 177.39 177.33 3bga s ASN 515 N -1.10 1.75 0.23 -1.43 -0.87 0.29 -4.95 114.94 108.86 3bga s ASN 515 Ca 0.05 0.76 -0.07 0.00 -1.57 0.00 0.00 52.86 52.03 3bga s ASN 515 Cb 0.05 -1.12 0.22 0.00 -0.02 0.00 0.00 41.25 40.38 3bga s ASN 515 CO 0.01 -3.62 1.87 0.10 -2.57 0.00 0.00 177.10 172.88 3bga h TYR 516 N -2.24 1.24 0.00 2.20 -0.00 -1.97 -3.37 116.97 112.84 3bga h TYR 516 Ca -0.48 -0.02 -0.48 0.00 0.00 0.00 0.00 58.73 57.75 3bga h TYR 516 Cb 1.30 -0.40 0.03 0.00 0.00 0.00 0.00 36.73 37.66 3bga h TYR 516 CO -1.22 0.84 2.52 0.27 -0.00 0.00 0.00 178.16 180.57 3bga n ASN 517 N -4.35 4.07 0.00 0.10 6.94 -1.26 -4.62 115.26 116.14 3bga n ASN 517 Ca 0.10 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.20 3bga n ASN 517 Cb 0.08 -1.12 0.00 0.00 -2.36 0.00 0.00 39.78 36.38 3bga n ASN 517 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 3bga n THR 518 N 4.85 0.00 1.17 5.53 5.66 -1.26 -4.48 114.28 125.75 3bga n THR 518 Ca 0.46 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.59 3bga n THR 518 Cb 0.23 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.24 3bga n THR 518 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3bga n ASP 519 N 0.00 2.04 -3.82 1.09 8.00 0.27 -4.88 116.55 119.25 3bga n ASP 519 Ca 0.00 -1.56 -0.13 0.00 0.71 0.00 0.00 54.79 53.81 3bga n ASP 519 Cb 0.00 0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 3bga n ASP 519 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bga s ILE 520 N -2.21 -0.01 -0.41 0.53 1.01 -1.26 -4.58 121.20 114.27 3bga s ILE 520 Ca 0.27 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 3bga s ILE 520 Cb 0.20 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.55 3bga s ILE 520 CO 0.42 0.02 0.80 -0.47 0.00 0.00 0.00 174.94 175.71 3bga s TYR 521 N 0.32 3.03 -0.16 3.97 5.04 -0.65 -4.66 117.35 124.24 3bga s TYR 521 Ca -0.02 0.37 0.14 0.00 -2.44 0.00 0.00 57.07 55.11 3bga s TYR 521 Cb -0.04 -3.59 0.37 0.00 0.35 0.00 0.00 41.96 39.05 3bga s TYR 521 CO -0.01 -0.89 1.19 0.00 -1.34 0.00 0.00 175.55 174.49 3bga n ARG 523 N -1.02 -0.67 -0.06 0.00 3.00 -1.26 -1.46 116.66 115.20 3bga n ARG 523 Ca 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3bga n ARG 523 Cb 0.72 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 32.05 3bga n ARG 523 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3bga n TYR 525 N -3.43 0.00 -2.11 -0.14 4.01 0.09 -4.55 117.16 111.03 3bga n TYR 525 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 3bga n TYR 525 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3bga n TYR 525 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bga s ARG 526 N 0.00 3.47 0.93 -0.72 1.81 -1.26 -4.51 118.95 118.68 3bga s ARG 526 Ca 0.00 1.89 -0.15 0.00 -1.72 0.00 0.00 55.73 55.75 3bga s ARG 526 Cb 0.00 -2.28 0.17 0.00 -0.45 0.00 0.00 34.95 32.38 3bga s ARG 526 CO 0.00 -0.82 1.24 -1.54 -0.68 0.00 0.00 175.30 173.50 3bga s SER 527 N -1.31 3.35 0.20 0.23 1.04 -1.26 -4.86 113.70 111.10 3bga s SER 527 Ca 0.68 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 3bga s SER 527 Cb -0.31 -0.81 0.16 0.00 0.10 0.00 0.00 66.02 65.16 3bga s SER 527 CO 0.37 -2.61 1.86 0.58 0.98 0.00 0.00 173.24 174.43 3bga h VAL 528 N -1.55 1.15 -0.50 5.02 2.07 -1.95 -1.99 116.25 118.50 3bga h VAL 528 Ca -0.46 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3bga h VAL 528 Cb 1.28 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3bga h VAL 528 CO 0.49 0.17 0.24 0.44 0.02 0.00 0.00 177.57 178.93 3bga h ASP 529 N 0.92 0.65 -0.26 0.57 3.32 -1.99 -1.83 116.42 117.80 3bga h ASP 529 Ca 0.27 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3bga h ASP 529 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3bga h ASP 529 CO -0.08 0.60 0.15 -0.33 -1.72 0.00 0.00 179.24 177.85 3bga h GLU 530 N 0.66 0.40 -0.04 3.56 5.08 -1.84 0.16 114.58 122.57 3bga h GLU 530 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3bga h GLU 530 Cb 0.11 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bga h GLU 530 CO -0.02 0.31 -0.01 0.82 -1.00 0.00 0.00 179.01 179.12 3bga h ILE 531 N 0.41 1.28 -0.92 3.13 1.08 -0.78 -2.34 117.51 119.37 3bga h ILE 531 Ca 0.11 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3bga h ILE 531 Cb 0.04 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 3bga h ILE 531 CO -0.02 0.23 0.59 0.11 -0.69 0.00 0.00 178.15 178.37 3bga h LYS 532 N -0.26 1.22 -0.88 2.37 1.57 -0.72 -2.14 116.57 117.74 3bga h LYS 532 Ca 0.01 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3bga h LYS 532 Cb 0.37 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3bga h LYS 532 CO 0.00 0.83 0.46 0.00 -0.57 0.00 0.00 179.45 180.17 3bga h ALA 533 N 1.40 1.16 0.24 3.86 0.00 -0.58 -1.59 119.26 123.74 3bga h ALA 533 Ca 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3bga h ALA 533 Cb -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3bga h ALA 533 CO -0.07 0.66 -0.12 -0.92 0.00 0.00 0.00 179.25 178.81 3bga h TYR 534 N 1.24 -0.30 -0.54 0.00 3.20 -0.92 -2.91 116.97 116.74 3bga h TYR 534 Ca 0.31 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.27 3bga h TYR 534 Cb 0.06 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3bga h TYR 534 CO 0.01 0.05 0.37 -0.24 -1.64 0.00 0.00 178.16 176.71 3bga h VAL 535 N -0.72 0.87 -0.16 1.81 3.04 -1.37 0.14 116.25 119.87 3bga h VAL 535 Ca -0.03 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3bga h VAL 535 Cb 0.49 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 3bga h VAL 535 CO 0.05 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.28 3bga n GLY 536 N -1.54 -0.11 3.82 3.17 0.00 -0.60 -4.90 105.19 105.02 3bga n GLY 536 Ca 0.09 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3bga n GLY 536 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 537 N -1.80 4.22 0.26 1.61 2.20 0.49 -5.04 119.74 121.69 3bga s LYS 537 Ca 0.23 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 3bga s LYS 537 Cb 0.12 -2.43 -0.09 0.00 -1.51 0.00 0.00 37.83 33.91 3bga s LYS 537 CO 0.18 0.12 1.16 0.15 -0.36 0.00 0.00 175.35 176.60 3bga s LYS 538 N -2.80 4.55 -0.84 4.03 1.02 -1.26 -3.85 119.74 120.59 3bga s LYS 538 Ca 0.56 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.44 3bga s LYS 538 Cb -0.12 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3bga s LYS 538 CO 0.17 0.06 0.00 -0.25 -0.92 0.00 0.00 175.35 174.41 3bga n ASP 539 N 1.49 -5.17 -4.76 2.83 8.00 -1.26 -4.99 116.55 112.68 3bga n ASP 539 Ca 0.01 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 3bga n ASP 539 Cb 0.44 -3.36 0.01 0.00 -0.02 0.00 0.00 41.12 38.19 3bga n ASP 539 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3bga s ILE 540 N -1.89 2.85 0.00 0.53 -4.36 -1.25 -4.93 121.20 112.16 3bga s ILE 540 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.98 3bga s ILE 540 Cb 0.00 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.44 3bga s ILE 540 CO 0.00 -0.06 0.40 0.00 0.24 0.00 0.00 174.94 175.53 3bga n TYR 541 N -0.99 0.00 -4.87 1.37 0.18 -1.26 -5.01 117.16 106.59 3bga n TYR 541 Ca 0.10 -0.05 -0.25 0.00 1.88 0.00 0.00 57.90 59.58 3bga n TYR 541 Cb 0.49 -0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.29 3bga n TYR 541 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3bga s ARG 542 N -0.09 1.48 0.65 -3.48 0.52 -1.26 -4.04 118.95 112.73 3bga s ARG 542 Ca 0.00 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 3bga s ARG 542 Cb 0.00 -1.45 -0.01 0.00 0.52 0.00 0.00 34.95 34.02 3bga s ARG 542 CO 0.00 0.39 1.08 -1.25 0.02 0.00 0.00 175.30 175.54 3bga s PRO 543 N -0.50 2.99 -0.38 3.54 0.04 -1.07 -4.67 135.00 134.96 3bga s PRO 543 Ca 0.07 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 3bga s PRO 543 Cb -0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3bga s PRO 543 CO -0.01 -1.08 0.28 0.12 0.04 0.00 0.00 177.00 176.36 3bga s PHE 544 N -2.57 3.23 -0.23 0.56 5.99 -1.26 -1.64 117.98 122.07 3bga s PHE 544 Ca 0.63 -0.41 -0.03 0.00 0.00 0.00 0.00 56.93 57.12 3bga s PHE 544 Cb -0.17 -2.55 0.07 0.00 0.00 0.00 0.00 43.02 40.37 3bga s PHE 544 CO 0.43 -0.49 0.07 0.42 -0.00 0.00 0.00 175.22 175.65 3bga s ILE 545 N 1.72 0.38 -0.14 3.12 1.01 -0.54 -1.66 121.20 125.08 3bga s ILE 545 Ca 0.06 -0.68 -0.33 0.00 0.00 0.00 0.00 60.65 59.70 3bga s ILE 545 Cb -0.18 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 3bga s ILE 545 CO 0.10 -0.40 2.01 0.18 0.00 0.00 0.00 174.94 176.83 3bga n LEU 546 N 5.09 3.28 -0.07 2.97 7.99 -0.25 -4.12 117.00 131.89 3bga n LEU 546 Ca -0.07 0.73 0.06 0.00 -0.01 0.00 0.00 56.01 56.73 3bga n LEU 546 Cb 0.46 -1.40 0.42 0.00 -0.11 0.00 0.00 43.42 42.78 3bga n LEU 546 CO 0.11 -0.25 1.19 0.00 -1.51 0.00 0.00 177.39 176.92 3bga s GLU 548 N -5.53 0.48 0.19 0.00 2.02 -1.25 -4.35 118.70 110.25 3bga s GLU 548 Ca -0.09 0.46 -0.24 0.00 0.02 0.00 0.00 54.97 55.13 3bga s GLU 548 Cb 0.18 0.23 0.06 0.00 0.10 0.00 0.00 34.13 34.70 3bga s GLU 548 CO 0.75 -0.07 0.94 1.52 0.02 0.00 0.00 175.26 178.42 3bga s TYR 549 N 0.04 -0.09 -1.18 1.61 -0.85 -1.03 -0.73 117.35 115.13 3bga s TYR 549 Ca -0.01 -0.28 -0.23 0.00 -0.52 0.00 0.00 57.07 56.03 3bga s TYR 549 Cb -0.03 0.67 0.01 0.00 0.38 0.00 0.00 41.96 42.99 3bga s TYR 549 CO 0.01 -0.94 0.73 -0.11 -1.52 0.00 0.00 175.55 173.72 3bga n LEU 550 N -0.51 -2.10 -4.50 -3.49 7.94 -1.26 -0.99 117.00 112.09 3bga n LEU 550 Ca -0.05 -1.09 -0.53 0.00 -1.11 0.00 0.00 56.01 53.22 3bga n LEU 550 Cb 0.60 -2.17 -0.07 0.00 0.53 0.00 0.00 43.42 42.31 3bga n LEU 550 CO 0.16 0.56 1.66 1.57 -1.11 0.00 0.00 177.39 180.23 3bga n HIS 551 N -4.44 1.71 -3.18 1.96 -0.00 -1.26 -4.14 115.22 105.87 3bga n HIS 551 Ca -0.12 0.38 -0.40 0.00 -0.00 0.00 0.00 57.72 57.58 3bga n HIS 551 Cb 0.59 -2.50 -0.07 0.00 -0.00 0.00 0.00 29.99 28.01 3bga n HIS 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3bga s ALA 552 N 6.06 3.60 0.00 1.57 0.00 -1.22 -4.11 121.76 127.66 3bga s ALA 552 Ca 1.07 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3bga s ALA 552 Cb -0.97 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3bga s ALA 552 CO 0.55 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3bga n GLY 554 N 4.29 0.00 3.56 0.00 0.00 -1.26 -3.72 105.19 108.06 3bga n GLY 554 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3bga n GLY 554 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 555 N 0.00 6.35 0.00 1.61 3.84 -1.26 -4.90 114.94 120.58 3bga s ASN 555 Ca 0.00 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 51.96 3bga s ASN 555 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 3bga s ASN 555 CO 0.00 -1.65 0.00 -0.24 -2.79 0.00 0.00 177.10 172.42 3bga n SER 556 N 9.23 0.39 -0.98 -4.21 2.88 -1.26 -4.70 113.62 114.96 3bga n SER 556 Ca 0.24 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 3bga n SER 556 Cb 0.50 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3bga n SER 556 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bga s GLY 558 N -2.63 1.85 -0.03 0.00 0.00 -0.61 -4.81 107.32 101.08 3bga s GLY 558 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 3bga s GLY 558 CO 0.01 0.23 0.05 0.61 0.00 0.00 0.00 173.10 173.99 3bga n GLY 559 N -2.03 -0.71 3.41 0.20 0.00 0.05 -4.38 105.19 101.73 3bga n GLY 559 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3bga n GLY 559 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bga n LYS 561 N -0.53 0.00 -0.03 1.61 4.81 -1.26 -2.93 118.16 119.83 3bga n LYS 561 Ca 0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3bga n LYS 561 Cb 0.07 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.44 3bga n LYS 561 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3bga h GLU 562 N 0.00 0.59 -0.06 1.64 3.07 -1.97 -0.89 114.58 116.95 3bga h GLU 562 Ca 0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3bga h GLU 562 Cb 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3bga h GLU 562 CO 0.00 0.54 0.01 1.88 -1.40 0.00 0.00 179.01 180.04 3bga h TYR 563 N 0.58 0.11 0.00 4.33 -1.99 -1.96 -3.14 116.97 114.90 3bga h TYR 563 Ca 0.13 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.85 3bga h TYR 563 Cb 0.21 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.91 3bga h TYR 563 CO 0.01 0.30 0.00 0.91 -0.00 0.00 0.00 178.16 179.38 3bga n TRP 564 N -4.91 0.69 0.04 4.88 7.02 -0.96 -1.96 117.44 122.23 3bga n TRP 564 Ca -0.07 0.24 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 3bga n TRP 564 Cb 0.15 -0.88 0.12 0.00 -2.42 0.00 0.00 31.31 28.27 3bga n TRP 564 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3bga h GLU 565 N 0.00 0.43 0.01 -0.99 5.08 -1.12 -1.96 114.58 116.02 3bga h GLU 565 Ca 0.00 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 3bga h GLU 565 Cb 0.50 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.78 3bga h GLU 565 CO 0.00 0.82 -0.44 0.28 -1.00 0.00 0.00 179.01 178.68 3bga h VAL 566 N 0.34 1.50 -0.91 3.13 2.07 -1.45 -2.98 116.25 117.95 3bga h VAL 566 Ca 0.02 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3bga h VAL 566 Cb 0.98 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 33.44 3bga h VAL 566 CO 0.09 0.58 0.59 -0.26 0.02 0.00 0.00 177.57 178.58 3bga h PHE 567 N -0.33 1.16 0.00 1.57 0.05 -1.39 0.43 116.94 118.43 3bga h PHE 567 Ca -0.06 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 3bga h PHE 567 Cb 1.19 -0.39 -0.00 0.00 2.00 0.00 0.00 35.95 38.74 3bga h PHE 567 CO 0.17 0.74 -0.14 0.93 -0.18 0.00 0.00 178.31 179.83 3bga h GLU 568 N 1.24 0.00 -0.01 1.51 5.08 -1.44 -3.29 114.58 117.68 3bga h GLU 568 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3bga h GLU 568 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3bga h GLU 568 CO -0.07 0.14 -0.21 0.09 -1.00 0.00 0.00 179.01 177.95 3bga n ASN 569 N -3.19 1.53 -4.15 1.42 4.13 -0.93 -4.90 115.26 109.17 3bga n ASN 569 Ca 0.02 -1.26 -0.35 0.00 1.68 0.00 0.00 54.58 54.66 3bga n ASN 569 Cb 0.47 0.38 -0.13 0.00 -1.54 0.00 0.00 39.78 38.96 3bga n ASN 569 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3bga s GLU 570 N -1.50 2.27 0.00 3.52 0.41 0.10 -5.07 118.70 118.43 3bga s GLU 570 Ca 0.11 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 3bga s GLU 570 Cb 0.10 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3bga s GLU 570 CO 0.29 -0.74 0.00 -2.30 -0.49 0.00 0.00 175.26 172.02 3bga n PRO 571 N 4.59 0.00 -1.08 0.39 -0.02 -1.26 -4.37 135.00 133.25 3bga n PRO 571 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3bga n PRO 571 Cb 0.43 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3bga n PRO 571 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bga n ALA 573 N 0.10 -1.20 -1.12 3.55 0.00 -1.26 -4.89 120.51 115.68 3bga n ALA 573 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3bga n ALA 573 Cb 0.00 -0.12 0.26 0.00 0.00 0.00 0.00 19.45 19.59 3bga n ALA 573 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bga n GLN 574 N 0.77 3.16 0.00 0.00 6.02 -0.66 -4.30 117.38 122.37 3bga n GLN 574 Ca 0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 3bga n GLN 574 Cb 0.10 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.15 3bga n GLN 574 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bga n GLY 575 N -0.55 0.54 0.00 1.08 0.00 -1.26 -0.17 105.19 104.83 3bga n GLY 575 Ca 0.49 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3bga n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 576 N 0.00 -1.10 3.20 -0.02 0.00 -0.61 -1.09 105.19 105.57 3bga n GLY 576 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 3bga n GLY 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga n ILE 578 N 4.69 2.94 -2.80 0.00 5.41 -0.67 -2.45 119.36 126.48 3bga n ILE 578 Ca -0.19 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.63 3bga n ILE 578 Cb 0.50 -1.55 -0.04 0.00 -0.71 0.00 0.00 39.64 37.84 3bga n ILE 578 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 3bga s TRP 579 N -1.25 3.07 0.03 1.39 -0.11 -0.16 -0.74 118.94 121.17 3bga s TRP 579 Ca 0.65 0.77 0.00 0.00 1.22 0.00 0.00 56.10 58.74 3bga s TRP 579 Cb -0.48 -3.68 0.00 0.00 -1.50 0.00 0.00 33.47 27.81 3bga s TRP 579 CO 0.55 -0.84 0.00 -3.47 -4.62 0.00 0.00 176.95 168.57 3bga n ASP 580 N 6.82 -3.53 0.04 5.86 2.03 -1.25 -3.40 116.55 123.11 3bga n ASP 580 Ca 0.07 0.34 -0.12 0.00 0.52 0.00 0.00 54.79 55.60 3bga n ASP 580 Cb 0.48 -1.88 -0.09 0.00 -0.72 0.00 0.00 41.12 38.92 3bga n ASP 580 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 3bga h TRP 581 N 0.91 -0.14 -3.91 -0.67 2.91 -1.23 -0.75 115.95 113.07 3bga h TRP 581 Ca 0.00 -0.00 -0.55 0.00 1.13 0.00 0.00 58.89 59.46 3bga h TRP 581 Cb 0.00 0.05 -0.31 0.00 -0.51 0.00 0.00 29.16 28.39 3bga h TRP 581 CO 0.00 0.33 -0.83 0.54 -1.03 0.00 0.00 178.44 177.45 3bga s VAL 582 N -3.77 1.39 0.28 2.65 0.11 -1.26 -0.07 120.40 119.73 3bga s VAL 582 Ca -0.14 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 3bga s VAL 582 Cb 0.01 -1.20 -0.12 0.00 -1.53 0.00 0.00 36.38 33.54 3bga s VAL 582 CO 0.56 0.40 1.51 0.47 -3.33 0.00 0.00 175.10 174.71 3bga n ASP 583 N 3.14 3.42 -3.73 3.54 8.00 -0.62 -4.42 116.55 125.89 3bga n ASP 583 Ca -0.18 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.06 3bga n ASP 583 Cb 0.53 -1.53 0.01 0.00 -0.02 0.00 0.00 41.12 40.11 3bga n ASP 583 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bga n GLN 584 N 1.91 4.66 -4.38 -1.24 6.02 -0.84 -3.88 117.38 119.64 3bga n GLN 584 Ca 0.09 -4.11 -0.25 0.00 -0.01 0.00 0.00 57.00 52.72 3bga n GLN 584 Cb 0.35 -2.61 -0.09 0.00 1.02 0.00 0.00 30.24 28.91 3bga n GLN 584 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bga s ASN 585 N -0.60 3.98 0.11 1.08 0.01 -1.26 -4.61 114.94 113.66 3bga s ASN 585 Ca 0.41 -0.81 0.08 0.00 -0.71 0.00 0.00 52.86 51.84 3bga s ASN 585 Cb 0.14 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 3bga s ASN 585 CO -0.04 0.05 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.08 3bga s PHE 586 N -2.19 2.57 -0.21 2.20 0.08 -1.24 -4.77 117.98 114.41 3bga s PHE 586 Ca 0.28 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 3bga s PHE 586 Cb -0.07 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.97 3bga s PHE 586 CO 0.16 0.38 0.18 0.50 -0.10 0.00 0.00 175.22 176.34 3bga s ARG 587 N -2.10 4.14 0.26 0.44 3.52 -1.26 -1.09 118.95 122.86 3bga s ARG 587 Ca 0.18 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.65 3bga s ARG 587 Cb -0.11 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 3bga s ARG 587 CO 0.10 0.16 -0.04 -1.21 -0.81 0.00 0.00 175.30 173.50 3bga s GLU 588 N 0.75 1.46 -0.10 5.12 0.41 -0.79 -4.98 118.70 120.57 3bga s GLU 588 Ca 0.09 -1.74 0.02 0.00 -0.41 0.00 0.00 54.97 52.93 3bga s GLU 588 Cb -0.13 -0.97 0.01 0.00 -1.78 0.00 0.00 34.13 31.27 3bga s GLU 588 CO 0.02 0.00 -0.15 0.42 -0.49 0.00 0.00 175.26 175.06 3bga s ILE 589 N -3.15 1.43 0.85 -1.63 1.01 -1.26 -1.43 121.20 117.03 3bga s ILE 589 Ca 0.29 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3bga s ILE 589 Cb 0.04 -1.31 0.16 0.00 0.01 0.00 0.00 42.46 41.36 3bga s ILE 589 CO 0.10 0.43 1.18 1.51 0.00 0.00 0.00 174.94 178.16 3bga s ASP 590 N 0.94 3.71 0.60 3.58 1.47 -0.48 -4.90 116.67 121.58 3bga s ASP 590 Ca -0.08 0.06 0.29 0.00 1.18 0.00 0.00 52.55 53.99 3bga s ASP 590 Cb -0.15 -0.27 1.52 0.00 -0.34 0.00 0.00 42.92 43.68 3bga s ASP 590 CO -0.00 -2.32 1.92 0.11 0.68 0.00 0.00 175.17 175.56 3bga h LYS 591 N -1.15 0.00 -0.69 2.11 1.57 -2.01 0.28 116.57 116.68 3bga h LYS 591 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3bga h LYS 591 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3bga h LYS 591 CO 0.41 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.04 3bga n ASP 592 N -3.61 4.29 -0.07 0.86 8.00 -1.26 -4.93 116.55 119.83 3bga n ASP 592 Ca 0.06 -2.23 -0.01 0.00 0.71 0.00 0.00 54.79 53.32 3bga n ASP 592 Cb 0.58 -0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3bga n ASP 592 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 593 N 1.38 0.48 3.67 0.44 0.00 0.09 -5.01 105.19 106.23 3bga n GLY 593 Ca 0.25 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3bga n GLY 593 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s LYS 594 N -0.85 4.15 0.52 1.61 1.02 -1.26 -4.83 119.74 120.11 3bga s LYS 594 Ca 0.00 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 56.03 3bga s LYS 594 Cb 0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 3bga s LYS 594 CO 0.00 -0.03 0.88 1.67 -0.92 0.00 0.00 175.35 176.95 3bga s TRP 595 N 1.30 3.57 0.07 3.18 1.48 -1.26 -1.39 118.94 125.89 3bga s TRP 595 Ca 0.17 1.04 -0.26 0.00 -1.06 0.00 0.00 56.10 55.99 3bga s TRP 595 Cb -0.15 -2.49 0.07 0.00 -1.16 0.00 0.00 33.47 29.75 3bga s TRP 595 CO 0.07 -0.41 0.65 1.52 -4.06 0.00 0.00 176.95 174.72 3bga s TYR 596 N -2.85 -0.57 0.07 1.66 -0.85 -0.51 -3.77 117.35 110.52 3bga s TYR 596 Ca 0.51 0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 57.47 3bga s TYR 596 Cb -0.11 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 42.67 3bga s TYR 596 CO 0.46 -0.74 0.61 -1.58 -1.52 0.00 0.00 175.55 172.78 3bga s TRP 597 N -2.75 3.80 0.31 -3.49 0.23 -1.26 -1.88 118.94 113.89 3bga s TRP 597 Ca -0.03 1.31 0.07 0.00 -2.03 0.00 0.00 56.10 55.42 3bga s TRP 597 Cb -0.01 -2.56 -0.03 0.00 0.03 0.00 0.00 33.47 30.90 3bga s TRP 597 CO -0.04 0.53 0.29 0.95 0.96 0.00 0.00 176.95 179.64 3bga s THR 598 N -0.91 3.92 0.00 2.01 -4.23 -0.25 -4.79 115.64 111.39 3bga s THR 598 Ca 0.30 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3bga s THR 598 Cb -0.20 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.34 3bga s THR 598 CO 0.20 -0.23 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 3bga n TYR 599 N -1.36 -0.52 -1.56 3.99 0.18 -1.26 -3.72 117.16 112.91 3bga n TYR 599 Ca -0.04 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.22 3bga n TYR 599 Cb 0.59 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.49 3bga n TYR 599 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3bga n GLY 600 N 0.00 0.11 2.12 -7.48 0.00 0.10 -1.69 105.19 98.34 3bga n GLY 600 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3bga n GLY 600 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bga n GLY 601 N 2.14 1.03 0.10 -0.02 0.00 -1.26 -4.01 105.19 103.17 3bga n GLY 601 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3bga n GLY 601 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bga n ASP 602 N 0.00 0.47 -4.17 1.61 8.00 -0.68 -4.83 116.55 116.95 3bga n ASP 602 Ca 0.00 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 54.83 3bga n ASP 602 Cb 0.00 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 3bga n ASP 602 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bga s TYR 603 N -2.60 1.47 0.00 1.24 1.51 -1.26 -5.02 117.35 112.69 3bga s TYR 603 Ca 0.24 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 3bga s TYR 603 Cb 0.20 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 41.14 3bga s TYR 603 CO 0.51 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.39 3bga n GLY 604 N 2.17 -3.82 3.84 0.71 0.00 -1.26 -4.86 105.19 101.97 3bga n GLY 604 Ca -0.16 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3bga n GLY 604 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bga s PRO 605 N -0.97 2.96 0.23 1.61 0.04 -1.26 -4.94 135.00 132.66 3bga s PRO 605 Ca 0.00 0.75 -0.32 0.00 0.04 0.00 0.00 61.00 61.48 3bga s PRO 605 Cb 0.00 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3bga s PRO 605 CO 0.00 -1.03 1.54 -1.91 0.04 0.00 0.00 177.00 175.64 3bga n GLU 606 N -3.05 2.33 -0.02 4.56 0.00 -1.26 -1.84 120.64 121.36 3bga n GLU 606 Ca 0.07 0.84 0.00 0.00 0.00 0.00 0.00 57.16 58.06 3bga n GLU 606 Cb 0.55 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.41 3bga n GLU 606 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3bga n GLY 607 N 2.72 0.38 3.77 8.31 0.00 -1.26 -5.06 105.19 114.04 3bga n GLY 607 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3bga n GLY 607 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3bga s ILE 608 N -2.05 2.23 0.34 -0.61 2.07 -0.77 -4.90 121.20 117.52 3bga s ILE 608 Ca 0.00 0.21 -0.28 0.00 -1.41 0.00 0.00 60.65 59.17 3bga s ILE 608 Cb 0.00 -3.12 -0.12 0.00 0.13 0.00 0.00 42.46 39.35 3bga s ILE 608 CO 0.00 0.03 1.23 -2.65 -1.91 0.00 0.00 174.94 171.64 3bga n PRO 609 N -0.18 1.96 -3.61 3.50 -0.02 -1.26 -4.85 135.00 130.55 3bga n PRO 609 Ca 0.05 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3bga n PRO 609 Cb 0.43 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3bga n PRO 609 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bga s SER 610 N -0.37 -0.57 -0.19 2.55 0.15 -1.25 -4.37 113.70 109.65 3bga s SER 610 Ca 0.56 0.96 0.13 0.00 0.70 0.00 0.00 55.95 58.30 3bga s SER 610 Cb -0.59 0.92 0.43 0.00 -1.71 0.00 0.00 66.02 65.07 3bga s SER 610 CO 0.62 -0.29 1.20 0.33 1.20 0.00 0.00 173.24 176.30 3bga n PHE 611 N 1.92 0.37 -2.24 3.44 7.35 -0.55 -4.91 117.46 122.84 3bga n PHE 611 Ca -0.14 -1.43 0.00 0.00 -0.76 0.00 0.00 57.45 55.12 3bga n PHE 611 Cb 0.56 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.15 3bga n PHE 611 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bga n GLY 612 N -0.78 2.62 0.00 7.13 0.00 -1.26 -3.31 105.19 109.60 3bga n GLY 612 Ca 0.19 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.05 3bga n GLY 612 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bga n ASN 613 N 0.97 0.00 0.00 1.61 0.23 -1.26 -0.72 115.26 116.09 3bga n ASN 613 Ca 0.00 -1.20 0.06 0.00 -0.53 0.00 0.00 54.58 52.91 3bga n ASN 613 Cb 0.00 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 3bga n ASN 613 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3bga n PHE 614 N -0.82 0.00 0.74 -2.53 3.72 -1.21 -2.47 117.46 114.89 3bga n PHE 614 Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3bga n PHE 614 Cb 0.06 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.81 3bga n PHE 614 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bga s GLY 616 N -3.40 2.39 -0.07 0.00 0.00 -1.03 -1.98 107.32 103.24 3bga s GLY 616 Ca 0.08 -3.00 0.10 0.00 0.00 0.00 0.00 44.72 41.90 3bga s GLY 616 CO 0.71 1.18 1.05 0.70 0.00 0.00 0.00 173.10 176.74 3bga n ASN 617 N 4.29 1.52 -4.88 1.64 3.02 -1.26 -4.06 115.26 115.53 3bga n ASN 617 Ca 0.03 -2.54 -0.29 0.00 -0.03 0.00 0.00 54.58 51.75 3bga n ASN 617 Cb 0.42 -0.29 0.09 0.00 -0.61 0.00 0.00 39.78 39.39 3bga n ASN 617 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3bga s GLY 618 N -1.97 1.60 0.25 7.41 0.00 -1.24 -3.64 107.32 109.72 3bga s GLY 618 Ca 0.18 -0.54 0.24 0.00 0.00 0.00 0.00 44.72 44.60 3bga s GLY 618 CO 0.02 -0.07 1.51 1.41 0.00 0.00 0.00 173.10 175.96 3bga h LEU 619 N -1.02 0.00 -8.26 0.66 3.38 0.11 -3.45 115.31 106.73 3bga h LEU 619 Ca -0.46 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.25 3bga h LEU 619 Cb 1.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.88 3bga h LEU 619 CO 0.65 0.03 -0.70 0.68 0.09 0.00 0.00 178.44 179.18 3bga s VAL 620 N -3.19 0.47 1.01 1.22 -7.23 -0.39 -1.55 120.40 110.74 3bga s VAL 620 Ca 0.07 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 3bga s VAL 620 Cb 0.10 -1.15 0.20 0.00 0.56 0.00 0.00 36.38 36.10 3bga s VAL 620 CO 0.68 -0.71 1.21 0.54 -0.31 0.00 0.00 175.10 176.51 3bga s ASN 621 N -2.38 2.64 0.53 4.85 2.20 0.06 -1.58 114.94 121.25 3bga s ASN 621 Ca 0.01 0.56 0.30 0.00 -0.94 0.00 0.00 52.86 52.78 3bga s ASN 621 Cb -0.01 -0.80 1.45 0.00 -2.00 0.00 0.00 41.25 39.90 3bga s ASN 621 CO -0.04 -3.05 1.92 0.00 -2.94 0.00 0.00 177.10 172.99 3bga h ALA 622 N -1.85 2.74 -0.72 3.54 0.00 -1.86 0.12 119.26 121.21 3bga h ALA 622 Ca -0.46 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 3bga h ALA 622 Cb 1.28 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.01 3bga h ALA 622 CO 0.44 -0.96 0.26 1.33 0.00 0.00 0.00 179.25 180.32 3bga n VAL 623 N -4.30 2.87 -2.15 0.00 0.24 -1.26 -4.86 118.33 108.88 3bga n VAL 623 Ca 0.16 -1.56 -0.17 0.00 -2.04 0.00 0.00 64.34 60.72 3bga n VAL 623 Cb 0.85 -0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 3bga n VAL 623 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bga n ARG 624 N -0.07 -1.35 -3.22 7.34 3.00 0.40 -5.01 116.66 117.75 3bga n ARG 624 Ca 0.39 0.90 -0.38 0.00 -0.01 0.00 0.00 57.85 58.75 3bga n ARG 624 Cb 1.36 -5.32 -0.06 0.00 0.00 0.00 0.00 32.46 28.45 3bga n ARG 624 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3bga s GLU 625 N -4.56 4.37 0.38 5.56 2.02 -1.26 -4.80 118.70 120.42 3bga s GLU 625 Ca 0.00 0.59 -0.28 0.00 0.02 0.00 0.00 54.97 55.31 3bga s GLU 625 Cb 0.00 -3.44 -0.11 0.00 0.10 0.00 0.00 34.13 30.69 3bga s GLU 625 CO 0.00 0.13 1.45 -2.14 0.02 0.00 0.00 175.26 174.73 3bga s PRO 626 N 0.66 4.10 0.42 0.39 0.02 -1.26 -0.76 135.00 138.57 3bga s PRO 626 Ca 0.30 2.50 -0.07 0.00 0.02 0.00 0.00 61.00 63.75 3bga s PRO 626 Cb -0.16 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3bga s PRO 626 CO 0.13 -0.51 0.73 -1.01 -0.33 0.00 0.00 177.00 176.01 3bga s HIS 627 N -1.13 3.51 0.50 6.54 3.76 -0.59 -4.85 115.29 123.03 3bga s HIS 627 Ca 0.53 0.85 0.24 0.00 -0.15 0.00 0.00 55.06 56.54 3bga s HIS 627 Cb -0.45 -2.31 1.31 0.00 1.11 0.00 0.00 32.58 32.25 3bga s HIS 627 CO 0.61 -0.13 1.93 -1.35 -0.85 0.00 0.00 174.74 174.95 3bga h PRO 628 N 0.86 0.13 0.00 8.40 0.11 -1.91 -1.63 132.00 137.96 3bga h PRO 628 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bga h PRO 628 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bga h PRO 628 CO 0.63 0.09 0.00 1.12 -0.21 0.00 0.00 178.00 179.63 3bga h HIS 629 N 0.13 0.00 -0.06 0.65 2.07 -1.87 -2.73 115.15 113.35 3bga h HIS 629 Ca 0.36 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.82 3bga h HIS 629 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 3bga h HIS 629 CO -0.00 0.00 -0.25 1.25 -3.07 0.00 0.00 177.93 175.86 3bga h LEU 630 N 0.00 0.09 -1.24 6.12 5.85 -1.49 -1.50 115.31 123.15 3bga h LEU 630 Ca 0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3bga h LEU 630 Cb 0.53 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3bga h LEU 630 CO 0.00 0.35 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.07 3bga h LEU 631 N 0.09 0.12 -0.32 2.25 3.38 -1.62 0.17 115.31 119.39 3bga h LEU 631 Ca 0.01 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3bga h LEU 631 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3bga h LEU 631 CO 0.03 0.43 -0.60 -0.08 0.09 0.00 0.00 178.44 178.31 3bga h GLU 632 N 0.11 0.78 -0.43 1.13 4.57 -1.40 -2.57 114.58 116.77 3bga h GLU 632 Ca 0.02 -0.53 0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3bga h GLU 632 Cb 0.60 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 3bga h GLU 632 CO 0.04 1.15 0.23 0.28 -1.18 0.00 0.00 179.01 179.53 3bga h VAL 633 N 0.58 1.00 -0.44 0.32 2.07 -0.63 -0.92 116.25 118.23 3bga h VAL 633 Ca -0.00 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3bga h VAL 633 Cb 1.20 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3bga h VAL 633 CO 0.13 0.08 0.22 0.50 0.02 0.00 0.00 177.57 178.52 3bga h LYS 634 N 0.46 0.43 -0.54 1.57 3.64 -0.89 0.97 116.57 122.21 3bga h LYS 634 Ca 0.18 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3bga h LYS 634 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3bga h LYS 634 CO -0.11 0.29 0.19 -0.22 -2.27 0.00 0.00 179.45 177.32 3bga h LYS 635 N 0.45 0.83 -0.06 1.90 1.63 -1.01 -1.83 116.57 118.48 3bga h LYS 635 Ca 0.19 -0.17 -0.19 0.00 -0.85 0.00 0.00 60.65 59.63 3bga h LYS 635 Cb 0.09 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3bga h LYS 635 CO -0.13 0.75 -0.77 0.82 -3.45 0.00 0.00 179.45 176.67 3bga h ILE 636 N 0.75 1.40 -0.00 2.00 1.08 -0.94 -3.09 117.51 118.70 3bga h ILE 636 Ca 0.18 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 3bga h ILE 636 Cb 0.25 2.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3bga h ILE 636 CO -0.01 0.67 -0.04 -1.22 -0.69 0.00 0.00 178.15 176.86 3bga n TYR 637 N -3.80 0.00 -1.68 1.37 4.01 0.31 -4.91 117.16 112.46 3bga n TYR 637 Ca -0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 3bga n TYR 637 Cb 0.73 -0.40 0.05 0.00 -0.31 0.00 0.00 39.34 39.41 3bga n TYR 637 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bga n GLN 638 N -1.40 1.32 -0.85 -0.72 10.64 -0.69 -4.87 117.38 120.79 3bga n GLN 638 Ca 0.10 0.49 0.07 0.00 -1.83 0.00 0.00 57.00 55.83 3bga n GLN 638 Cb 0.31 -2.38 0.39 0.00 -0.86 0.00 0.00 30.24 27.70 3bga n GLN 638 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3bga n ASN 639 N -0.88 5.55 -3.57 2.61 4.13 -1.26 -4.76 115.26 117.08 3bga n ASN 639 Ca 0.12 -2.86 -0.24 0.00 1.68 0.00 0.00 54.58 53.28 3bga n ASN 639 Cb 0.45 -0.67 -0.16 0.00 -1.54 0.00 0.00 39.78 37.86 3bga n ASN 639 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3bga s ILE 640 N -2.64 -0.17 -0.05 2.41 1.01 -1.26 -0.13 121.20 120.38 3bga s ILE 640 Ca 0.53 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.03 3bga s ILE 640 Cb 0.40 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3bga s ILE 640 CO 0.16 -0.29 -0.16 -0.54 0.00 0.00 0.00 174.94 174.12 3bga s LYS 641 N 2.20 1.83 0.26 2.79 1.02 -0.98 -4.59 119.74 122.26 3bga s LYS 641 Ca 0.04 -0.56 0.12 0.00 0.02 0.00 0.00 55.97 55.59 3bga s LYS 641 Cb -0.16 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 3bga s LYS 641 CO -0.12 0.17 -0.20 0.00 -0.92 0.00 0.00 175.35 174.27 3bga s ALA 642 N 0.25 2.69 0.00 5.17 0.00 -1.26 -0.59 121.76 128.03 3bga s ALA 642 Ca -0.08 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.06 3bga s ALA 642 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3bga s ALA 642 CO 0.03 0.30 -0.06 0.95 0.00 0.00 0.00 175.76 176.97 3bga s THR 643 N -2.39 0.50 -0.67 0.00 -4.23 -0.05 -4.94 115.64 103.86 3bga s THR 643 Ca 0.28 -0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 60.18 3bga s THR 643 Cb -0.05 -0.44 0.04 0.00 1.34 0.00 0.00 72.50 73.38 3bga s THR 643 CO 0.14 0.09 1.17 -0.22 -0.54 0.00 0.00 174.62 175.26 3bga s LEU 644 N -0.29 3.52 0.01 4.79 2.96 -1.26 0.12 118.68 128.54 3bga s LEU 644 Ca 0.01 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.33 3bga s LEU 644 Cb -0.03 -2.69 -0.26 0.00 0.50 0.00 0.00 46.19 43.71 3bga s LEU 644 CO -0.00 -1.63 1.08 -1.28 -1.32 0.00 0.00 176.35 173.19 3bga h SER 645 N 9.77 0.63 -3.46 3.68 0.87 -1.51 -3.43 113.55 120.09 3bga h SER 645 Ca -0.27 -0.80 -0.57 0.00 -1.23 0.00 0.00 61.79 58.92 3bga h SER 645 Cb 1.06 -0.19 -0.39 0.00 -0.44 0.00 0.00 62.40 62.43 3bga h SER 645 CO 1.22 1.35 -0.77 -0.62 -0.53 0.00 0.00 176.83 177.48 3bga s ASP 646 N -6.96 3.45 0.00 6.23 3.68 -0.65 -4.98 116.67 117.43 3bga s ASP 646 Ca -0.12 -1.04 0.26 0.00 2.13 0.00 0.00 52.55 53.77 3bga s ASP 646 Cb 0.04 -0.92 1.40 0.00 -1.45 0.00 0.00 42.92 41.99 3bga s ASP 646 CO 0.85 -0.27 1.92 -2.11 0.13 0.00 0.00 175.17 175.69 3bga n ARG 647 N 4.84 1.18 -0.08 4.34 1.85 -1.26 -0.82 116.66 126.71 3bga n ARG 647 Ca -0.10 -0.26 -0.10 0.00 -1.00 0.00 0.00 57.85 56.38 3bga n ARG 647 Cb 0.45 -1.42 -0.05 0.00 -1.05 0.00 0.00 32.46 30.39 3bga n ARG 647 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 3bga h LYS 648 N 0.59 0.00 -0.48 2.89 3.64 -1.96 -3.38 116.57 117.87 3bga h LYS 648 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bga h LYS 648 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3bga h LYS 648 CO 0.00 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.65 3bga n ASN 649 N -4.57 2.97 -3.66 4.20 3.02 -1.25 -3.97 115.26 112.01 3bga n ASN 649 Ca -0.15 -1.96 -0.21 0.00 -0.03 0.00 0.00 54.58 52.22 3bga n ASN 649 Cb 0.39 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 3bga n ASN 649 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3bga n LEU 650 N 1.13 -3.29 -4.69 3.41 4.77 -0.42 -0.47 117.00 117.44 3bga n LEU 650 Ca 0.19 -0.82 -0.39 0.00 -0.03 0.00 0.00 56.01 54.96 3bga n LEU 650 Cb 0.49 -2.70 -0.06 0.00 -2.33 0.00 0.00 43.42 38.82 3bga n LEU 650 CO 0.14 0.39 0.26 -0.75 -1.33 0.00 0.00 177.39 176.10 3bga s LYS 651 N -5.84 4.28 0.16 3.23 2.20 0.00 -1.83 119.74 121.95 3bga s LYS 651 Ca 0.07 0.53 0.11 0.00 -0.36 0.00 0.00 55.97 56.32 3bga s LYS 651 Cb -0.02 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3bga s LYS 651 CO 0.81 -0.03 -0.23 0.14 -0.36 0.00 0.00 175.35 175.68 3bga s VAL 652 N 1.21 2.44 -0.27 4.02 -7.23 0.30 -1.27 120.40 119.60 3bga s VAL 652 Ca 0.27 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 3bga s VAL 652 Cb -0.16 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 3bga s VAL 652 CO 0.11 -0.02 0.09 0.00 -0.31 0.00 0.00 175.10 174.97 3bga s ILE 654 N 1.59 3.94 -0.21 0.00 1.01 0.25 -0.87 121.20 126.91 3bga s ILE 654 Ca 0.05 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 3bga s ILE 654 Cb -0.16 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3bga s ILE 654 CO 0.04 0.42 0.09 -0.75 0.00 0.00 0.00 174.94 174.74 3bga s LYS 655 N 1.13 3.96 -0.47 2.79 2.47 0.24 -0.37 119.74 129.49 3bga s LYS 655 Ca 0.03 -0.34 -0.21 0.00 -1.56 0.00 0.00 55.97 53.88 3bga s LYS 655 Cb -0.14 -3.34 0.03 0.00 -1.46 0.00 0.00 37.83 32.92 3bga s LYS 655 CO 0.01 0.13 0.71 1.21 0.16 0.00 0.00 175.35 177.57 3bga s ASN 656 N 0.79 6.32 0.00 1.43 2.47 -0.34 -2.33 114.94 123.29 3bga s ASN 656 Ca 0.05 -0.41 0.27 0.00 0.42 0.00 0.00 52.86 53.19 3bga s ASN 656 Cb -0.13 -2.34 0.95 0.00 -1.45 0.00 0.00 41.25 38.28 3bga s ASN 656 CO 0.02 -0.89 1.68 0.79 -3.72 0.00 0.00 177.10 174.99 3bga n TRP 657 N 6.50 0.00 -0.95 0.43 7.02 0.82 -0.07 117.44 131.18 3bga n TRP 657 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 3bga n TRP 657 Cb 0.47 -0.09 0.14 0.00 -2.42 0.00 0.00 31.31 29.41 3bga n TRP 657 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3bga s TYR 658 N -2.33 1.85 -0.05 -5.99 2.02 -1.23 -4.77 117.35 106.85 3bga s TYR 658 Ca 0.30 1.72 0.18 0.00 -0.37 0.00 0.00 57.07 58.90 3bga s TYR 658 Cb 0.20 -3.34 -0.28 0.00 -0.40 0.00 0.00 41.96 38.15 3bga s TYR 658 CO 0.45 -2.63 0.34 -0.25 -1.57 0.00 0.00 175.55 171.89 3bga n ASP 659 N -3.77 0.72 -0.44 2.29 8.00 -1.26 -3.44 116.55 118.65 3bga n ASP 659 Ca 0.12 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.63 3bga n ASP 659 Cb 0.52 1.67 0.01 0.00 -0.02 0.00 0.00 41.12 43.30 3bga n ASP 659 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bga n PHE 660 N -2.25 0.00 -4.26 1.24 3.72 -1.26 -4.84 117.46 109.81 3bga n PHE 660 Ca -0.08 -0.08 -0.19 0.00 -0.05 0.00 0.00 57.45 57.05 3bga n PHE 660 Cb 0.60 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.93 3bga n PHE 660 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bga s SER 661 N -1.09 0.95 0.32 4.37 0.01 -1.26 -4.96 113.70 112.05 3bga s SER 661 Ca 0.02 -0.14 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 3bga s SER 661 Cb 0.02 -0.26 -0.09 0.00 0.21 0.00 0.00 66.02 65.89 3bga s SER 661 CO 0.00 0.04 0.83 0.21 0.41 0.00 0.00 173.24 174.73 3bga s ASN 662 N 0.27 7.01 0.22 2.44 3.84 -1.26 -4.01 114.94 123.44 3bga s ASN 662 Ca -0.03 1.54 0.17 0.00 0.21 0.00 0.00 52.86 54.75 3bga s ASN 662 Cb -0.08 -2.47 0.87 0.00 -0.55 0.00 0.00 41.25 39.01 3bga s ASN 662 CO 0.00 -0.15 1.53 0.18 -2.79 0.00 0.00 177.10 175.87 3bga n LEU 663 N 0.04 0.44 0.00 3.21 4.77 -0.48 -2.07 117.00 122.91 3bga n LEU 663 Ca 0.03 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 3bga n LEU 663 Cb 0.52 -0.68 0.49 0.00 -2.33 0.00 0.00 43.42 41.42 3bga n LEU 663 CO 0.41 -0.72 0.71 -0.46 -1.33 0.00 0.00 177.39 176.01 3bga n ASN 664 N -2.05 0.00 -0.59 -1.43 0.23 -0.65 -1.22 115.26 109.55 3bga n ASN 664 Ca 0.00 -0.82 0.12 0.00 -0.53 0.00 0.00 54.58 53.36 3bga n ASN 664 Cb 0.09 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.19 3bga n ASN 664 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3bga n GLU 665 N -0.89 1.80 -4.38 -3.83 1.02 -0.88 -4.91 120.64 108.57 3bga n GLU 665 Ca 0.12 -1.18 -0.19 0.00 -0.02 0.00 0.00 57.16 55.89 3bga n GLU 665 Cb 0.06 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 3bga n GLU 665 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3bga s TYR 666 N -1.86 1.74 -0.05 -0.32 2.02 -0.36 -1.57 117.35 116.95 3bga s TYR 666 Ca 0.35 -0.87 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 3bga s TYR 666 Cb 0.19 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.72 3bga s TYR 666 CO 0.30 0.05 -0.24 0.42 -1.57 0.00 0.00 175.55 174.51 3bga s ILE 667 N -3.29 1.98 -0.32 2.71 -1.09 0.95 -4.64 121.20 117.51 3bga s ILE 667 Ca 0.30 -1.04 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 3bga s ILE 667 Cb 0.06 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.28 3bga s ILE 667 CO 0.11 0.55 0.12 -0.22 -1.23 0.00 0.00 174.94 174.27 3bga s LEU 668 N -0.23 4.18 -0.28 2.97 2.96 -0.62 -2.19 118.68 125.48 3bga s LEU 668 Ca -0.01 -0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 52.96 3bga s LEU 668 Cb -0.13 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3bga s LEU 668 CO 0.03 -0.27 0.12 -0.13 -1.32 0.00 0.00 176.35 174.78 3bga s ARG 669 N 1.50 3.56 0.28 1.98 0.52 0.25 -1.11 118.95 125.93 3bga s ARG 669 Ca 0.02 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 3bga s ARG 669 Cb -0.18 -3.47 -0.06 0.00 0.52 0.00 0.00 34.95 31.76 3bga s ARG 669 CO 0.04 -0.28 -0.08 1.67 0.02 0.00 0.00 175.30 176.66 3bga s TRP 670 N 1.63 2.01 0.06 -0.53 1.48 -0.42 -1.54 118.94 121.63 3bga s TRP 670 Ca 0.06 -0.63 -0.27 0.00 -1.06 0.00 0.00 56.10 54.20 3bga s TRP 670 Cb -0.16 -1.10 0.09 0.00 -1.16 0.00 0.00 33.47 31.14 3bga s TRP 670 CO 0.06 0.36 0.94 0.54 -4.06 0.00 0.00 176.95 174.79 3bga s ASN 671 N -3.45 -0.27 -0.11 -2.66 2.20 -0.87 -0.86 114.94 108.92 3bga s ASN 671 Ca 0.29 -0.18 0.02 0.00 -0.94 0.00 0.00 52.86 52.05 3bga s ASN 671 Cb 0.02 0.42 0.01 0.00 -2.00 0.00 0.00 41.25 39.70 3bga s ASN 671 CO 0.12 -0.73 -0.17 -0.69 -2.94 0.00 0.00 177.10 172.70 3bga s VAL 672 N -3.16 1.61 -0.00 3.54 1.01 0.45 -0.78 120.40 123.07 3bga s VAL 672 Ca 0.09 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3bga s VAL 672 Cb -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3bga s VAL 672 CO -0.04 0.46 -0.19 -0.54 0.00 0.00 0.00 175.10 174.80 3bga s LYS 673 N 0.92 1.46 0.81 2.72 1.02 -0.74 0.18 119.74 126.10 3bga s LYS 673 Ca -0.07 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 3bga s LYS 673 Cb -0.15 -1.43 0.09 0.00 -0.52 0.00 0.00 37.83 35.82 3bga s LYS 673 CO -0.01 0.39 1.16 0.20 -0.92 0.00 0.00 175.35 176.17 3bga s GLY 674 N -0.55 1.63 0.59 -3.33 0.00 -0.84 -0.26 107.32 104.55 3bga s GLY 674 Ca 0.07 -0.76 0.39 0.00 0.00 0.00 0.00 44.72 44.42 3bga s GLY 674 CO -0.00 -0.26 2.19 1.05 0.00 0.00 0.00 173.10 176.08 3bga h GLU 675 N -1.03 0.00 -0.06 2.90 4.11 -1.75 0.96 114.58 119.71 3bga h GLU 675 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3bga h GLU 675 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3bga h GLU 675 CO 0.62 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.30 3bga n ASP 676 N -2.98 1.02 0.00 3.06 3.85 -1.26 -4.83 116.55 115.41 3bga n ASP 676 Ca -0.02 -1.48 0.00 0.00 -0.71 0.00 0.00 54.79 52.58 3bga n ASP 676 Cb 0.14 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3bga n ASP 676 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bga n GLY 677 N 1.05 1.29 3.70 6.12 0.00 0.33 -5.03 105.19 112.66 3bga n GLY 677 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3bga n GLY 677 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bga s THR 678 N -3.32 4.86 -0.07 2.61 -4.23 -1.26 -4.75 115.64 109.48 3bga s THR 678 Ca 0.00 2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 62.23 3bga s THR 678 Cb 0.00 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 3bga s THR 678 CO 0.00 0.13 1.55 -0.69 -0.54 0.00 0.00 174.62 175.06 3bga s VAL 679 N 1.26 3.72 -0.09 2.29 1.01 -1.26 -1.99 120.40 125.34 3bga s VAL 679 Ca 0.50 0.91 0.15 0.00 0.00 0.00 0.00 61.98 63.53 3bga s VAL 679 Cb -0.20 -3.59 -0.22 0.00 0.00 0.00 0.00 36.38 32.37 3bga s VAL 679 CO 0.25 -0.07 0.58 0.18 0.00 0.00 0.00 175.10 176.03 3bga n LEU 680 N 6.81 0.69 -3.48 3.92 4.77 0.13 -4.98 117.00 124.86 3bga n LEU 680 Ca 0.16 0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 3bga n LEU 680 Cb 0.43 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3bga n LEU 680 CO 0.61 0.36 0.43 0.00 -1.33 0.00 0.00 177.39 177.46 3bga s ALA 681 N -2.65 -1.71 0.06 -1.18 0.00 -1.17 -4.98 121.76 110.14 3bga s ALA 681 Ca -0.05 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 3bga s ALA 681 Cb 0.08 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.62 3bga s ALA 681 CO 0.83 -0.53 0.70 -1.83 0.00 0.00 0.00 175.76 174.93 3bga s GLU 682 N -2.23 1.09 0.10 0.00 -1.05 -1.26 -0.41 118.70 114.93 3bga s GLU 682 Ca -0.06 -0.25 -0.21 0.00 -0.15 0.00 0.00 54.97 54.30 3bga s GLU 682 Cb -0.00 0.51 0.07 0.00 -0.44 0.00 0.00 34.13 34.26 3bga s GLU 682 CO 0.00 -0.45 0.99 0.41 0.95 0.00 0.00 175.26 177.17 3bga n GLY 683 N -0.03 0.53 2.83 -3.83 0.00 -0.04 -4.95 105.19 99.69 3bga n GLY 683 Ca -0.15 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 3bga n GLY 683 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bga s THR 684 N -2.09 -0.03 0.01 2.61 2.01 -1.26 -1.30 115.64 115.59 3bga s THR 684 Ca 0.23 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 3bga s THR 684 Cb -0.02 -0.06 -0.00 0.00 0.01 0.00 0.00 72.50 72.43 3bga s THR 684 CO 0.03 0.05 0.09 -0.75 -0.69 0.00 0.00 174.62 173.35 3bga s LYS 685 N 0.56 0.44 -0.10 4.92 2.20 -0.26 -5.00 119.74 122.49 3bga s LYS 685 Ca -0.05 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3bga s LYS 685 Cb -0.07 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3bga s LYS 685 CO -0.02 -0.10 -0.13 -1.21 -0.36 0.00 0.00 175.35 173.53 3bga s GLU 686 N -1.41 3.10 0.03 4.03 2.02 -1.26 -1.59 118.70 123.62 3bga s GLU 686 Ca -0.15 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.23 3bga s GLU 686 Cb -0.08 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 3bga s GLU 686 CO 0.01 0.35 -0.21 0.08 0.02 0.00 0.00 175.26 175.51 3bga s VAL 687 N -0.01 1.68 -0.15 2.63 1.01 -1.26 -5.06 120.40 119.23 3bga s VAL 687 Ca -0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 3bga s VAL 687 Cb -0.14 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3bga s VAL 687 CO 0.04 0.28 0.27 -1.81 0.00 0.00 0.00 175.10 173.88 3bga s ASP 688 N -0.99 6.43 -0.30 3.32 1.01 -1.26 -1.63 116.67 123.24 3bga s ASP 688 Ca 0.08 0.50 -0.13 0.00 0.71 0.00 0.00 52.55 53.70 3bga s ASP 688 Cb -0.09 -2.17 0.17 0.00 1.01 0.00 0.00 42.92 41.85 3bga s ASP 688 CO 0.01 0.14 0.97 0.00 0.21 0.00 0.00 175.17 176.50 3bga s GLU 690 N 2.60 1.68 0.55 0.00 0.41 -1.26 -1.39 118.70 121.30 3bga s GLU 690 Ca -0.00 1.24 -0.21 0.00 -0.41 0.00 0.00 54.97 55.59 3bga s GLU 690 Cb -0.08 -1.83 -0.06 0.00 -1.78 0.00 0.00 34.13 30.39 3bga s GLU 690 CO -0.16 -2.07 1.13 -2.30 -0.49 0.00 0.00 175.26 171.37 3bga n PRO 691 N -3.82 1.29 -0.39 0.39 -0.02 -1.26 -2.02 135.00 129.17 3bga n PRO 691 Ca 0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3bga n PRO 691 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3bga n PRO 691 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3bga n HIS 692 N -1.24 0.00 -2.77 6.00 8.25 0.90 -4.95 115.22 121.41 3bga n HIS 692 Ca 0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.37 3bga n HIS 692 Cb 0.45 -1.06 0.03 0.00 1.12 0.00 0.00 29.99 30.53 3bga n HIS 692 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bga s ALA 693 N -1.53 3.97 0.16 -1.41 0.00 -0.86 -4.82 121.76 117.28 3bga s ALA 693 Ca 0.00 -1.34 0.09 0.00 0.00 0.00 0.00 51.96 50.71 3bga s ALA 693 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3bga s ALA 693 CO 0.00 -0.60 -0.19 0.95 0.00 0.00 0.00 175.76 175.92 3bga s THR 694 N -2.65 1.86 -0.05 0.00 -4.23 -1.26 -1.19 115.64 108.11 3bga s THR 694 Ca 0.55 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 59.12 3bga s THR 694 Cb -0.10 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3bga s THR 694 CO 0.37 -0.27 0.14 0.54 -0.54 0.00 0.00 174.62 174.86 3bga s VAL 695 N -1.92 -0.01 0.01 2.29 0.11 0.51 -4.97 120.40 116.42 3bga s VAL 695 Ca 0.15 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.10 3bga s VAL 695 Cb -0.06 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.52 3bga s VAL 695 CO 0.07 0.01 0.38 -1.81 -3.33 0.00 0.00 175.10 170.42 3bga s ASP 696 N 0.23 6.73 -0.05 3.54 1.01 -1.26 -0.59 116.67 126.28 3bga s ASP 696 Ca -0.01 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.12 3bga s ASP 696 Cb -0.02 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 41.71 3bga s ASP 696 CO -0.01 0.29 -0.03 -0.69 0.21 0.00 0.00 175.17 174.95 3bga s VAL 697 N -1.17 0.45 -0.24 -1.27 1.01 -0.12 -4.98 120.40 114.09 3bga s VAL 697 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 3bga s VAL 697 Cb -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3bga s VAL 697 CO 0.14 0.23 0.29 -0.89 0.00 0.00 0.00 175.10 174.86 3bga s THR 698 N 1.24 5.26 -1.12 3.92 2.01 -1.26 -0.54 115.64 125.15 3bga s THR 698 Ca -0.06 0.44 0.21 0.00 0.31 0.00 0.00 61.69 62.58 3bga s THR 698 Cb -0.14 -3.62 -0.20 0.00 0.01 0.00 0.00 72.50 68.56 3bga s THR 698 CO -0.02 0.26 0.91 0.18 -0.69 0.00 0.00 174.62 175.26 3bga n LEU 699 N 4.68 1.12 0.00 4.42 4.77 -0.76 -4.98 117.00 126.25 3bga n LEU 699 Ca -0.11 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3bga n LEU 699 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3bga n LEU 699 CO 0.37 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3bga n GLY 700 N 1.48 -0.96 3.74 -0.72 0.00 0.38 -4.97 105.19 104.14 3bga n GLY 700 Ca 0.05 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3bga n GLY 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 701 N -2.92 2.46 -0.05 4.61 0.00 -1.24 -4.29 121.76 120.33 3bga s ALA 701 Ca 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 3bga s ALA 701 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3bga s ALA 701 CO 0.00 -1.40 0.01 0.08 0.00 0.00 0.00 175.76 174.46 3bga s VAL 702 N -1.48 0.21 0.20 0.00 1.01 -1.26 -5.03 120.40 114.05 3bga s VAL 702 Ca 0.80 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 3bga s VAL 702 Cb -0.34 -0.37 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 3bga s VAL 702 CO 0.37 0.21 1.17 -0.54 0.00 0.00 0.00 175.10 176.31 3bga s LYS 703 N 1.73 4.52 -0.17 2.72 1.02 -1.26 -5.03 119.74 123.27 3bga s LYS 703 Ca 0.00 1.85 -0.03 0.00 0.02 0.00 0.00 55.97 57.81 3bga s LYS 703 Cb -0.13 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 3bga s LYS 703 CO -0.03 -0.02 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.82 3bga s LEU 704 N -0.47 3.14 0.76 3.17 1.43 -1.26 -5.02 118.68 120.43 3bga s LEU 704 Ca 0.51 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 3bga s LEU 704 Cb -0.32 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.17 3bga s LEU 704 CO 0.37 0.12 1.07 -2.65 0.23 0.00 0.00 176.35 175.49 3bga n PRO 705 N 3.83 0.40 -0.02 1.29 -0.02 -1.26 -4.84 135.00 134.37 3bga n PRO 705 Ca -0.17 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 3bga n PRO 705 Cb 0.52 -2.32 0.30 0.00 -0.02 0.00 0.00 33.50 31.98 3bga n PRO 705 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bga n ASN 706 N -2.31 0.35 -0.38 2.55 6.94 -1.26 -2.98 115.26 118.17 3bga n ASN 706 Ca 0.13 -1.71 0.13 0.00 -0.02 0.00 0.00 54.58 53.11 3bga n ASN 706 Cb 0.50 -0.03 0.29 0.00 -2.36 0.00 0.00 39.78 38.18 3bga n ASN 706 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3bga n THR 707 N -0.45 0.00 -5.29 5.53 -2.24 -1.26 -4.68 114.28 105.89 3bga n THR 707 Ca 0.09 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 3bga n THR 707 Cb 0.09 0.68 -0.16 0.00 -2.10 0.00 0.00 70.33 68.84 3bga n THR 707 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3bga s VAL 708 N -2.39 2.04 -0.60 2.28 -7.23 -1.16 -4.54 120.40 108.79 3bga s VAL 708 Ca 0.25 -1.09 0.26 0.00 -1.81 0.00 0.00 61.98 59.58 3bga s VAL 708 Cb 0.19 -1.69 0.29 0.00 0.56 0.00 0.00 36.38 35.73 3bga s VAL 708 CO 0.49 0.57 1.75 0.03 -0.31 0.00 0.00 175.10 177.64 3bga h ARG 709 N 5.60 0.00 -1.85 4.82 3.08 -1.89 -0.72 114.38 123.42 3bga h ARG 709 Ca -0.41 0.00 0.26 0.00 0.07 0.00 0.00 59.98 59.90 3bga h ARG 709 Cb 1.13 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.08 3bga h ARG 709 CO 0.47 0.00 0.69 -1.83 -1.07 0.00 0.00 179.97 178.23 3bga s GLU 710 N -3.18 0.74 0.15 0.04 -1.05 -1.26 -1.48 118.70 112.66 3bga s GLU 710 Ca 0.09 -0.42 -0.06 0.00 -0.15 0.00 0.00 54.97 54.43 3bga s GLU 710 Cb 0.10 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3bga s GLU 710 CO 0.57 -0.34 0.20 0.00 0.95 0.00 0.00 175.26 176.63 3bga s ALA 711 N -2.75 0.32 -0.04 -0.84 0.00 -0.45 -1.96 121.76 116.05 3bga s ALA 711 Ca 0.14 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3bga s ALA 711 Cb 0.02 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3bga s ALA 711 CO -0.01 -0.58 -0.13 0.71 0.00 0.00 0.00 175.76 175.74 3bga s TYR 712 N -4.00 1.39 -0.52 0.00 2.02 0.64 0.08 117.35 116.97 3bga s TYR 712 Ca 0.19 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.30 3bga s TYR 712 Cb 0.05 -0.96 0.06 0.00 -0.40 0.00 0.00 41.96 40.70 3bga s TYR 712 CO 0.00 -0.15 0.69 -1.17 -1.57 0.00 0.00 175.55 173.35 3bga s LEU 713 N 0.17 4.81 -0.11 -1.29 2.96 0.64 -1.80 118.68 124.06 3bga s LEU 713 Ca -0.05 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 52.91 3bga s LEU 713 Cb -0.11 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3bga s LEU 713 CO 0.02 -0.97 0.30 0.20 -1.32 0.00 0.00 176.35 174.58 3bga s ASN 714 N 2.76 6.53 -0.06 3.68 -0.87 0.04 -1.73 114.94 125.29 3bga s ASN 714 Ca 0.18 0.62 0.04 0.00 -1.57 0.00 0.00 52.86 52.13 3bga s ASN 714 Cb -0.18 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3bga s ASN 714 CO 0.13 0.20 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.91 3bga s LEU 715 N -0.13 1.91 -0.06 0.60 1.43 -0.05 -2.06 118.68 120.33 3bga s LEU 715 Ca 0.18 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3bga s LEU 715 Cb -0.14 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.04 3bga s LEU 715 CO 0.06 0.14 0.13 -0.55 0.23 0.00 0.00 176.35 176.36 3bga s SER 716 N 0.22 -0.09 0.11 2.29 0.15 -0.59 -1.57 113.70 114.22 3bga s SER 716 Ca -0.09 0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.92 3bga s SER 716 Cb -0.14 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 3bga s SER 716 CO 0.04 -0.14 -0.22 0.26 1.20 0.00 0.00 173.24 174.38 3bga s TRP 717 N 1.07 2.44 0.05 3.44 0.52 0.05 -0.58 118.94 125.92 3bga s TRP 717 Ca -0.08 -0.32 -0.11 0.00 0.02 0.00 0.00 56.10 55.61 3bga s TRP 717 Cb -0.11 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.90 3bga s TRP 717 CO -0.05 0.34 0.24 -1.54 0.02 0.00 0.00 176.95 175.96 3bga s SER 718 N -2.01 -0.02 0.46 2.95 1.04 -0.93 -0.49 113.70 114.70 3bga s SER 718 Ca 0.16 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.10 3bga s SER 718 Cb -0.10 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 3bga s SER 718 CO 0.08 -0.59 0.93 0.00 0.98 0.00 0.00 173.24 174.64 3bga s ARG 719 N -2.66 4.02 0.10 4.02 1.70 -1.26 -0.03 118.95 124.83 3bga s ARG 719 Ca -0.04 0.93 -0.14 0.00 -0.47 0.00 0.00 55.73 56.01 3bga s ARG 719 Cb -0.01 -2.20 -0.11 0.00 -0.57 0.00 0.00 34.95 32.07 3bga s ARG 719 CO -0.04 -0.14 1.37 0.87 -1.08 0.00 0.00 175.30 176.27 3bga h LYS 720 N 1.34 0.72 -5.80 3.89 1.57 -1.60 -3.43 116.57 113.26 3bga h LYS 720 Ca -0.48 -0.45 -0.67 0.00 -1.87 0.00 0.00 60.65 57.19 3bga h LYS 720 Cb 1.18 0.05 -0.19 0.00 0.08 0.00 0.00 32.23 33.35 3bga h LYS 720 CO 0.62 1.08 -0.67 -1.21 -0.57 0.00 0.00 179.45 178.70 3bga s GLU 721 N -4.12 3.14 0.91 3.15 2.02 -1.26 -4.93 118.70 117.61 3bga s GLU 721 Ca -0.12 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.25 3bga s GLU 721 Cb 0.08 -2.75 0.14 0.00 0.10 0.00 0.00 34.13 31.70 3bga s GLU 721 CO 0.85 0.52 1.11 0.00 0.02 0.00 0.00 175.26 177.76 3bga s ALA 722 N -0.41 1.61 0.18 5.21 0.00 -1.26 -4.85 121.76 122.23 3bga s ALA 722 Ca 0.07 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3bga s ALA 722 Cb -0.12 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3bga s ALA 722 CO 0.02 -2.34 -0.09 0.99 0.00 0.00 0.00 175.76 174.33 3bga s THR 723 N -3.13 1.28 0.59 0.00 2.01 0.01 -4.99 115.64 111.40 3bga s THR 723 Ca 0.64 -2.09 0.37 0.00 0.31 0.00 0.00 61.69 60.92 3bga s THR 723 Cb -0.16 -1.98 0.40 0.00 0.01 0.00 0.00 72.50 70.77 3bga s THR 723 CO 0.55 -0.64 2.29 -0.65 -0.69 0.00 0.00 174.62 175.48 3bga h PRO 724 N 2.67 0.00 0.00 4.92 0.11 -2.01 -2.95 132.00 134.75 3bga h PRO 724 Ca -0.37 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.55 3bga h PRO 724 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3bga h PRO 724 CO 0.63 0.01 -2.15 1.28 -0.21 0.00 0.00 178.00 177.57 3bga n LEU 725 N -3.40 0.00 -3.89 2.35 4.77 -1.26 -4.89 117.00 110.68 3bga n LEU 725 Ca -0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 3bga n LEU 725 Cb 0.10 0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 3bga n LEU 725 CO 0.24 0.26 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.46 3bga s VAL 726 N -2.91 1.27 1.05 4.08 1.01 -1.11 -4.92 120.40 118.87 3bga s VAL 726 Ca -0.09 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 3bga s VAL 726 Cb 0.09 -1.59 0.24 0.00 0.00 0.00 0.00 36.38 35.12 3bga s VAL 726 CO 0.82 -0.11 1.29 1.51 0.00 0.00 0.00 175.10 178.60 3bga s ASP 727 N 1.52 2.31 0.00 3.32 1.47 -1.26 -0.81 116.67 123.21 3bga s ASP 727 Ca -0.04 0.27 0.25 0.00 1.18 0.00 0.00 52.55 54.21 3bga s ASP 727 Cb -0.18 -0.29 1.23 0.00 -0.34 0.00 0.00 42.92 43.34 3bga s ASP 727 CO -0.07 -3.23 1.85 0.35 0.68 0.00 0.00 175.17 174.74 3bga n THR 728 N -4.10 0.21 0.68 2.11 -2.24 -1.26 -3.02 114.28 106.65 3bga n THR 728 Ca 0.16 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 3bga n THR 728 Cb 0.59 -0.63 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 3bga n THR 728 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bga n ASP 729 N -1.34 0.63 -4.72 3.42 8.00 -1.26 -4.56 116.55 116.72 3bga n ASP 729 Ca 0.11 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 3bga n ASP 729 Cb 0.23 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 3bga n ASP 729 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3bga s TRP 730 N -3.14 3.28 -0.41 1.24 -0.11 -1.17 -4.97 118.94 113.66 3bga s TRP 730 Ca 0.06 1.04 -0.29 0.00 1.22 0.00 0.00 56.10 58.12 3bga s TRP 730 Cb 0.15 -3.63 0.02 0.00 -1.50 0.00 0.00 33.47 28.51 3bga s TRP 730 CO 0.77 -2.16 1.17 -2.00 -4.62 0.00 0.00 176.95 170.12 3bga s GLU 731 N 0.95 3.82 0.08 5.86 2.12 -1.26 -4.40 118.70 125.86 3bga s GLU 731 Ca 0.63 0.83 0.24 0.00 0.36 0.00 0.00 54.97 57.02 3bga s GLU 731 Cb -0.36 -3.87 0.26 0.00 0.26 0.00 0.00 34.13 30.42 3bga s GLU 731 CO 0.31 -1.25 1.23 1.33 -0.54 0.00 0.00 175.26 176.34 3bga n VAL 732 N 6.54 0.24 -3.59 3.70 0.24 0.36 -4.97 118.33 120.85 3bga n VAL 732 Ca 0.13 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.34 62.13 3bga n VAL 732 Cb 0.48 0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.86 3bga n VAL 732 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bga s ALA 733 N -3.15 -1.99 0.15 2.33 0.00 -1.24 -4.58 121.76 113.28 3bga s ALA 733 Ca 0.06 1.58 -0.24 0.00 0.00 0.00 0.00 51.96 53.36 3bga s ALA 733 Cb 0.14 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3bga s ALA 733 CO 0.75 -0.41 0.70 1.52 0.00 0.00 0.00 175.76 178.32 3bga s TYR 734 N -1.65 -0.41 0.10 0.00 -0.85 -1.26 -0.77 117.35 112.51 3bga s TYR 734 Ca 0.04 0.17 -0.17 0.00 -0.52 0.00 0.00 57.07 56.58 3bga s TYR 734 Cb -0.01 0.59 0.04 0.00 0.38 0.00 0.00 41.96 42.96 3bga s TYR 734 CO -0.03 -0.86 0.42 -0.51 -1.52 0.00 0.00 175.55 173.05 3bga s ASP 735 N -2.74 -0.28 -0.03 -0.18 1.01 -0.61 -4.95 116.67 108.89 3bga s ASP 735 Ca 0.04 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.06 3bga s ASP 735 Cb -0.02 0.47 0.01 0.00 1.01 0.00 0.00 42.92 44.39 3bga s ASP 735 CO -0.08 -0.81 0.11 -1.58 0.21 0.00 0.00 175.17 173.03 3bga s GLN 736 N -3.40 0.21 -0.05 8.23 0.74 -1.26 -0.87 119.66 123.26 3bga s GLN 736 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.45 3bga s GLN 736 Cb 0.01 0.09 0.02 0.00 1.10 0.00 0.00 33.01 34.23 3bga s GLN 736 CO -0.09 -0.03 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.48 3bga s PHE 737 N -0.27 0.97 0.03 1.67 0.08 -0.71 -4.96 117.98 114.79 3bga s PHE 737 Ca -0.03 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.46 3bga s PHE 737 Cb -0.03 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 3bga s PHE 737 CO 0.00 -0.20 0.78 0.08 -0.10 0.00 0.00 175.22 175.78 3bga s VAL 738 N 0.73 4.78 -0.13 -0.44 1.01 -1.26 -0.26 120.40 124.83 3bga s VAL 738 Ca -0.12 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3bga s VAL 738 Cb -0.14 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3bga s VAL 738 CO 0.01 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 3bga s LEU 739 N 0.16 2.66 0.35 3.92 1.43 0.11 -4.95 118.68 122.36 3bga s LEU 739 Ca 0.40 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.86 3bga s LEU 739 Cb -0.20 -1.59 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 3bga s LEU 739 CO 0.23 0.16 1.45 0.00 0.23 0.00 0.00 176.35 178.42 3bga s ALA 740 N 0.36 3.57 0.00 4.21 0.00 -1.26 -1.34 121.76 127.30 3bga s ALA 740 Ca -0.11 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3bga s ALA 740 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3bga s ALA 740 CO 0.06 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3bga n GLY 741 N 0.72 5.74 3.56 0.00 0.00 -0.55 -4.76 105.19 109.90 3bga n GLY 741 Ca 0.01 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3bga n GLY 741 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bga s ASN 742 N 1.00 6.28 0.59 1.61 2.47 -0.28 -4.79 114.94 121.83 3bga s ASN 742 Ca 0.00 -0.22 0.29 0.00 0.42 0.00 0.00 52.86 53.35 3bga s ASN 742 Cb 0.00 -2.56 1.71 0.00 -1.45 0.00 0.00 41.25 38.95 3bga s ASN 742 CO 0.00 -1.69 2.15 0.07 -3.72 0.00 0.00 177.10 173.91 3bga h LYS 743 N 9.83 0.00 0.00 0.43 2.10 -1.85 -2.99 116.57 124.09 3bga h LYS 743 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3bga h LYS 743 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3bga h LYS 743 CO 1.24 0.00 -0.64 0.09 -2.00 0.00 0.00 179.45 178.14 3bga n ASN 744 N -3.83 0.67 -4.76 7.07 5.03 -1.26 -4.96 115.26 113.22 3bga n ASN 744 Ca -0.00 0.07 -0.36 0.00 0.87 0.00 0.00 54.58 55.16 3bga n ASN 744 Cb 0.24 0.21 0.02 0.00 -1.02 0.00 0.00 39.78 39.23 3bga n ASN 744 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3bga s THR 745 N -3.15 2.77 -0.08 3.41 -1.32 -1.13 -4.95 115.64 111.18 3bga s THR 745 Ca 0.06 0.51 0.15 0.00 -1.21 0.00 0.00 61.69 61.21 3bga s THR 745 Cb 0.14 -3.23 0.31 0.00 -1.51 0.00 0.00 72.50 68.22 3bga s THR 745 CO 0.72 -0.07 1.15 0.35 -2.21 0.00 0.00 174.62 174.56 3bga n THR 746 N -1.21 0.98 0.01 5.08 -2.24 -1.26 -4.85 114.28 110.80 3bga n THR 746 Ca 0.11 -1.68 0.08 0.00 -2.27 0.00 0.00 64.05 60.30 3bga n THR 746 Cb 0.49 0.32 0.49 0.00 -2.10 0.00 0.00 70.33 69.53 3bga n THR 746 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga h ALA 747 N 0.61 1.88 0.00 6.98 0.00 -1.93 -2.56 119.26 124.26 3bga h ALA 747 Ca -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3bga h ALA 747 Cb 1.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3bga h ALA 747 CO 0.03 0.06 -0.22 0.10 0.00 0.00 0.00 179.25 179.22 3bga h TYR 748 N 0.40 0.00 -3.90 0.00 -0.00 -1.89 -3.46 116.97 108.12 3bga h TYR 748 Ca 0.17 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.36 3bga h TYR 748 Cb 0.19 0.00 0.10 0.00 0.00 0.00 0.00 36.73 37.02 3bga h TYR 748 CO -0.00 0.22 0.78 1.03 -0.00 0.00 0.00 178.16 180.19 3bga s ARG 749 N -3.97 4.12 0.67 0.10 0.52 -0.97 -5.00 118.95 114.42 3bga s ARG 749 Ca -0.02 2.56 -0.14 0.00 -0.52 0.00 0.00 55.73 57.62 3bga s ARG 749 Cb 0.12 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.62 3bga s ARG 749 CO 0.63 -0.53 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 3bga s PRO 750 N -1.98 2.80 0.39 3.54 0.04 -1.26 -5.03 135.00 133.49 3bga s PRO 750 Ca 0.53 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 3bga s PRO 750 Cb -0.46 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3bga s PRO 750 CO 0.62 -1.23 0.68 1.14 0.04 0.00 0.00 177.00 178.25 3bga s GLN 751 N -4.36 3.61 -0.08 4.56 -2.07 -1.26 -4.99 119.66 115.06 3bga s GLN 751 Ca 0.64 0.11 -0.34 0.00 -1.82 0.00 0.00 55.36 53.95 3bga s GLN 751 Cb -0.18 -2.50 -0.12 0.00 -1.09 0.00 0.00 33.01 29.12 3bga s GLN 751 CO 0.45 0.00 1.88 1.17 -1.32 0.00 0.00 175.29 177.47 3bga n LYS 752 N -1.62 2.19 0.00 9.60 4.81 -1.26 -4.86 118.16 127.02 3bga n LYS 752 Ca -0.01 0.80 0.10 0.00 -0.87 0.00 0.00 58.31 58.34 3bga n LYS 752 Cb 0.55 -2.65 -0.05 0.00 0.02 0.00 0.00 35.03 32.90 3bga n LYS 752 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bga n ALA 753 N 6.57 4.48 0.00 3.14 0.00 -1.26 -5.06 120.51 128.38 3bga n ALA 753 Ca 0.22 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3bga n ALA 753 Cb 0.30 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3bga n ALA 753 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 754 N 1.49 -0.55 3.58 0.00 0.00 -1.26 -4.87 105.19 103.57 3bga n GLY 754 Ca 0.05 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 3bga n GLY 754 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bga s GLU 755 N -1.26 3.85 0.08 1.61 2.56 -1.26 -4.81 118.70 119.46 3bga s GLU 755 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.97 54.63 3bga s GLU 755 Cb 0.00 -3.71 -0.06 0.00 2.00 0.00 0.00 34.13 32.36 3bga s GLU 755 CO 0.00 -0.33 0.45 0.99 -0.56 0.00 0.00 175.26 175.81 3bga s THR 756 N 1.95 5.00 0.04 -1.70 2.01 -1.26 -0.79 115.64 120.89 3bga s THR 756 Ca 0.11 0.67 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 3bga s THR 756 Cb -0.16 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 3bga s THR 756 CO 0.11 0.34 0.14 0.00 -0.69 0.00 0.00 174.62 174.52 3bga s ALA 757 N -1.34 -0.22 0.06 7.40 0.00 -0.59 -4.99 121.76 122.08 3bga s ALA 757 Ca 0.32 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 3bga s ALA 757 Cb -0.15 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3bga s ALA 757 CO 0.17 -0.33 0.09 -0.59 0.00 0.00 0.00 175.76 175.11 3bga s PHE 758 N -2.50 0.29 -0.05 0.00 -0.12 -1.26 -0.45 117.98 113.89 3bga s PHE 758 Ca -0.06 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 3bga s PHE 758 Cb -0.02 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.19 3bga s PHE 758 CO -0.04 -0.44 -0.10 0.08 -0.05 0.00 0.00 175.22 174.67 3bga s VAL 759 N -3.56 0.94 -0.21 -2.49 1.01 -0.51 -4.97 120.40 110.62 3bga s VAL 759 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3bga s VAL 759 Cb 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3bga s VAL 759 CO -0.09 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 174.71 3bga s VAL 760 N 0.51 4.83 0.10 2.92 1.01 -1.26 -1.55 120.40 126.96 3bga s VAL 760 Ca -0.10 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 3bga s VAL 760 Cb -0.13 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 3bga s VAL 760 CO 0.02 0.41 1.60 -0.62 0.00 0.00 0.00 175.10 176.51 3bga s ASP 761 N 0.73 6.62 0.51 3.32 2.15 0.42 -4.90 116.67 125.51 3bga s ASP 761 Ca 0.04 2.51 0.22 0.00 0.43 0.00 0.00 52.55 55.75 3bga s ASP 761 Cb -0.13 -2.57 1.35 0.00 -0.30 0.00 0.00 42.92 41.27 3bga s ASP 761 CO 0.02 -0.84 2.10 0.11 -0.17 0.00 0.00 175.17 176.38 3bga h LYS 762 N 7.68 0.00 0.01 4.34 1.57 -1.97 0.80 116.57 129.01 3bga h LYS 762 Ca -0.42 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.02 3bga h LYS 762 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 3bga h LYS 762 CO 0.92 0.10 -1.82 0.09 -0.57 0.00 0.00 179.45 178.16 3bga n ASN 763 N -4.06 1.92 0.07 0.86 4.13 -1.26 -4.57 115.26 112.35 3bga n ASN 763 Ca -0.02 0.34 0.02 0.00 1.68 0.00 0.00 54.58 56.60 3bga n ASN 763 Cb 0.18 -0.88 -0.05 0.00 -1.54 0.00 0.00 39.78 37.50 3bga n ASN 763 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3bga h THR 764 N -0.84 0.55 -0.10 3.41 1.35 -1.70 0.15 112.91 115.73 3bga h THR 764 Ca -0.49 -1.96 -0.04 0.00 -0.55 0.00 0.00 66.41 63.36 3bga h THR 764 Cb 1.51 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 70.00 3bga h THR 764 CO -0.25 0.31 -0.04 0.61 -0.25 0.00 0.00 175.52 175.90 3bga n GLY 765 N 1.33 0.55 3.90 5.82 0.00 0.28 -4.34 105.19 112.72 3bga n GLY 765 Ca -0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3bga n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 766 N -1.95 3.34 -0.80 4.61 0.00 -1.26 -4.71 121.76 120.99 3bga s ALA 766 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 3bga s ALA 766 Cb 0.00 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.49 3bga s ALA 766 CO 0.00 -0.41 1.21 -1.17 0.00 0.00 0.00 175.76 175.38 3bga s LEU 767 N -4.82 3.81 0.00 0.00 1.98 -1.17 -0.44 118.68 118.05 3bga s LEU 767 Ca 0.49 -1.01 0.27 0.00 -2.89 0.00 0.00 54.13 50.99 3bga s LEU 767 Cb -0.10 -2.50 0.87 0.00 0.66 0.00 0.00 46.19 45.12 3bga s LEU 767 CO 0.47 -1.56 1.64 -1.54 -1.89 0.00 0.00 176.35 173.46 3bga n SER 768 N 8.46 1.03 -3.66 3.68 3.41 -0.59 -0.67 113.62 125.27 3bga n SER 768 Ca 0.10 -0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 57.67 3bga n SER 768 Cb 0.48 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 3bga n SER 768 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bga s SER 769 N -2.41 -0.80 -0.11 4.04 0.15 -1.15 -4.72 113.70 108.70 3bga s SER 769 Ca 0.27 1.34 -0.02 0.00 0.70 0.00 0.00 55.95 58.24 3bga s SER 769 Cb 0.20 1.23 0.04 0.00 -1.71 0.00 0.00 66.02 65.78 3bga s SER 769 CO 0.48 -0.23 0.03 -0.22 1.20 0.00 0.00 173.24 174.51 3bga s LEU 770 N 1.36 0.61 0.15 3.45 0.20 -1.26 -1.42 118.68 121.77 3bga s LEU 770 Ca -0.08 -0.31 0.10 0.00 0.69 0.00 0.00 54.13 54.52 3bga s LEU 770 Cb -0.06 -0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.27 3bga s LEU 770 CO -0.15 -0.26 -0.23 0.42 -0.29 0.00 0.00 176.35 175.85 3bga s THR 771 N 2.01 2.06 -0.23 3.68 -4.23 0.41 -1.17 115.64 118.17 3bga s THR 771 Ca 0.03 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3bga s THR 771 Cb -0.14 -1.90 0.06 0.00 1.34 0.00 0.00 72.50 71.85 3bga s THR 771 CO -0.06 -0.10 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.64 3bga s LEU 772 N -2.36 2.53 -1.47 4.79 2.96 -0.75 -1.54 118.68 122.83 3bga s LEU 772 Ca 0.15 -1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 52.80 3bga s LEU 772 Cb -0.08 -1.18 0.06 0.00 0.50 0.00 0.00 46.19 45.49 3bga s LEU 772 CO 0.07 -0.23 0.92 0.47 -1.32 0.00 0.00 176.35 176.27 3bga n ASP 773 N 4.68 -5.26 0.00 3.68 8.00 0.03 -1.48 116.55 126.19 3bga n ASP 773 Ca -0.12 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.77 3bga n ASP 773 Cb 0.44 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 3bga n ASP 773 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bga n GLY 774 N -1.69 1.50 3.65 0.44 0.00 -1.26 -5.03 105.19 102.80 3bga n GLY 774 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3bga n GLY 774 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bga s LYS 775 N -0.30 4.13 0.15 1.61 2.20 -0.55 -5.01 119.74 121.98 3bga s LYS 775 Ca 0.00 0.20 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 3bga s LYS 775 Cb 0.00 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 3bga s LYS 775 CO 0.00 -0.14 1.41 -2.00 -0.36 0.00 0.00 175.35 174.26 3bga s GLU 776 N 1.63 4.31 -0.09 4.03 2.56 -1.26 -1.81 118.70 128.07 3bga s GLU 776 Ca 0.19 2.14 0.15 0.00 0.00 0.00 0.00 54.97 57.45 3bga s GLU 776 Cb -0.15 -3.21 -0.23 0.00 2.00 0.00 0.00 34.13 32.54 3bga s GLU 776 CO 0.09 -0.42 0.22 1.28 -0.56 0.00 0.00 175.26 175.86 3bga n LEU 777 N 3.50 0.00 -4.85 2.70 4.77 -0.32 -4.99 117.00 117.82 3bga n LEU 777 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 3bga n LEU 777 Cb 0.42 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3bga n LEU 777 CO 0.59 0.19 0.15 -0.76 -1.33 0.00 0.00 177.39 176.23 3bga s LEU 778 N -4.65 4.38 -0.01 2.23 1.43 -1.26 -4.56 118.68 116.23 3bga s LEU 778 Ca -0.07 0.96 0.13 0.00 -1.03 0.00 0.00 54.13 54.12 3bga s LEU 778 Cb 0.08 -3.02 -0.17 0.00 0.03 0.00 0.00 46.19 43.11 3bga s LEU 778 CO 0.67 0.18 0.42 0.00 0.23 0.00 0.00 176.35 177.85 3bga n ALA 779 N 1.07 3.12 -3.27 4.21 0.00 0.14 -4.94 120.51 120.83 3bga n ALA 779 Ca -0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 3bga n ALA 779 Cb 0.52 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 3bga n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bga s ALA 780 N -2.54 -0.92 0.97 0.00 0.00 -1.06 -4.89 121.76 113.32 3bga s ALA 780 Ca 0.00 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 3bga s ALA 780 Cb 0.09 -0.24 0.18 0.00 0.00 0.00 0.00 23.12 23.15 3bga s ALA 780 CO 0.54 -0.23 1.10 -1.25 0.00 0.00 0.00 175.76 175.91 3bga s PRO 781 N -0.65 0.60 -0.28 0.00 0.04 -1.26 -3.65 135.00 129.80 3bga s PRO 781 Ca -0.07 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 3bga s PRO 781 Cb -0.04 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 3bga s PRO 781 CO 0.03 -2.81 0.59 0.42 0.04 0.00 0.00 177.00 175.27 3bga s ILE 782 N -2.66 4.99 0.32 0.56 1.01 0.15 -4.34 121.20 121.23 3bga s ILE 782 Ca 0.66 0.90 0.04 0.00 0.00 0.00 0.00 60.65 62.26 3bga s ILE 782 Cb -0.22 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3bga s ILE 782 CO 0.60 -0.04 0.04 0.42 0.00 0.00 0.00 174.94 175.95 3bga s THR 783 N 2.49 1.32 0.10 2.92 -4.23 -0.25 -3.02 115.64 114.96 3bga s THR 783 Ca 0.24 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 3bga s THR 783 Cb -0.15 -2.75 -0.06 0.00 1.34 0.00 0.00 72.50 70.88 3bga s THR 783 CO 0.10 -0.05 1.06 -0.22 -0.54 0.00 0.00 174.62 174.97 3bga s LEU 784 N -3.50 4.44 -0.09 4.79 2.96 -1.26 -1.28 118.68 124.74 3bga s LEU 784 Ca 0.35 1.91 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 3bga s LEU 784 Cb 0.08 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3bga s LEU 784 CO 0.15 -0.25 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.18 3bga s SER 785 N 0.42 2.75 0.00 3.68 0.15 -0.07 -4.88 113.70 115.75 3bga s SER 785 Ca 0.51 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3bga s SER 785 Cb -0.26 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 3bga s SER 785 CO 0.31 0.13 0.17 0.18 1.20 0.00 0.00 173.24 175.22 3bga n LEU 786 N 3.61 0.33 -4.65 3.45 4.77 -1.26 -2.48 117.00 120.77 3bga n LEU 786 Ca -0.20 -0.49 -0.24 0.00 -0.03 0.00 0.00 56.01 55.05 3bga n LEU 786 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3bga n LEU 786 CO 0.27 0.08 -0.29 0.12 -1.33 0.00 0.00 177.39 176.25 3bga s PHE 787 N -0.31 2.60 -0.11 -1.77 5.36 -1.26 -1.05 117.98 121.44 3bga s PHE 787 Ca 0.00 -0.38 -0.08 0.00 -0.96 0.00 0.00 56.93 55.51 3bga s PHE 787 Cb 0.00 -1.45 0.04 0.00 -0.34 0.00 0.00 43.02 41.26 3bga s PHE 787 CO 0.00 0.48 0.29 -0.98 -1.46 0.00 0.00 175.22 173.55 3bga s ARG 788 N -3.73 0.30 -0.22 10.12 1.70 -1.26 -4.77 118.95 121.09 3bga s ARG 788 Ca 0.35 0.49 -0.38 0.00 -0.47 0.00 0.00 55.73 55.71 3bga s ARG 788 Cb -0.02 0.05 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 3bga s ARG 788 CO 0.20 -0.09 1.80 -2.30 -1.08 0.00 0.00 175.30 173.83 3bga n PRO 789 N 3.50 1.48 -1.65 3.89 -0.02 -1.26 -4.77 135.00 136.17 3bga n PRO 789 Ca -0.18 0.54 -0.47 0.00 -2.02 0.00 0.00 63.50 61.38 3bga n PRO 789 Cb 0.56 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3bga n PRO 789 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bga n ALA 790 N 5.86 0.81 -1.96 3.55 0.00 -1.26 -2.21 120.51 125.29 3bga n ALA 790 Ca 0.25 0.45 -0.28 0.00 0.00 0.00 0.00 53.44 53.86 3bga n ALA 790 Cb 0.18 -2.26 0.05 0.00 0.00 0.00 0.00 19.45 17.41 3bga n ALA 790 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bga s THR 791 N 0.45 3.36 0.31 0.00 -4.23 -1.26 -4.36 115.64 109.89 3bga s THR 791 Ca 0.76 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3bga s THR 791 Cb -0.72 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.00 3bga s THR 791 CO 0.44 -0.48 1.91 0.44 -0.54 0.00 0.00 174.62 176.39 3bga h ASP 792 N -0.50 0.88 -0.42 3.99 3.32 -1.92 -1.63 116.42 120.14 3bga h ASP 792 Ca -0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3bga h ASP 792 Cb 1.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3bga h ASP 792 CO 0.63 0.56 0.15 0.78 -1.72 0.00 0.00 179.24 179.63 3bga h ASN 793 N 1.00 0.60 -0.76 6.45 2.35 -1.88 -2.53 115.58 120.81 3bga h ASN 793 Ca 0.40 -0.19 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 3bga h ASN 793 Cb 0.25 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 3bga h ASN 793 CO -0.16 0.63 0.51 0.44 -1.65 0.00 0.00 177.43 177.20 3bga h ASP 794 N 0.54 0.40 0.40 5.81 3.32 -1.60 0.93 116.42 126.22 3bga h ASP 794 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3bga h ASP 794 Cb 0.23 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3bga h ASP 794 CO -0.01 0.21 0.00 0.59 -1.72 0.00 0.00 179.24 178.31 3bga n ASN 795 N -4.48 0.00 0.00 6.45 5.03 -0.95 -0.94 115.26 120.37 3bga n ASN 795 Ca 0.15 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.88 3bga n ASN 795 Cb 0.53 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 3bga n ASN 795 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3bga n ARG 796 N -1.39 3.27 -1.83 3.52 1.74 -0.21 -4.84 116.66 116.93 3bga n ARG 796 Ca 0.05 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 3bga n ARG 796 Cb 0.15 -0.29 -0.02 0.00 -1.02 0.00 0.00 32.46 31.28 3bga n ARG 796 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bga s ASP 797 N -0.52 6.44 0.44 0.55 -1.08 0.15 -4.87 116.67 117.79 3bga s ASP 797 Ca 0.00 2.86 0.19 0.00 -0.52 0.00 0.00 52.55 55.08 3bga s ASP 797 Cb 0.00 -2.62 1.14 0.00 -1.46 0.00 0.00 42.92 39.97 3bga s ASP 797 CO 0.00 -0.88 1.90 -0.09 0.52 0.00 0.00 175.17 176.62 3bga h ARG 798 N 5.35 0.32 -0.64 4.34 2.43 -1.91 0.18 114.38 124.45 3bga h ARG 798 Ca -0.46 -0.02 -0.43 0.00 -0.81 0.00 0.00 59.98 58.27 3bga h ARG 798 Cb 1.22 -0.07 -0.27 0.00 -0.42 0.00 0.00 29.97 30.43 3bga h ARG 798 CO 0.83 0.21 -0.16 0.09 -1.51 0.00 0.00 179.97 179.43 3bga n ASN 799 N -4.46 4.47 -0.09 -3.80 4.13 -1.26 -4.90 115.26 109.35 3bga n ASN 799 Ca 0.16 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.64 3bga n ASN 799 Cb 0.64 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3bga n ASN 799 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bga n GLY 800 N -0.93 1.87 0.13 7.41 0.00 0.61 -4.95 105.19 109.34 3bga n GLY 800 Ca 0.44 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.63 3bga n GLY 800 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga n ALA 801 N -3.00 1.15 -0.18 4.61 0.00 -0.11 -1.97 120.51 121.01 3bga n ALA 801 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 3bga n ALA 801 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.17 3bga n ALA 801 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3bga h ARG 802 N 0.00 1.01 -0.01 0.00 2.43 -1.86 0.15 114.38 116.10 3bga h ARG 802 Ca 0.00 -0.38 -0.25 0.00 -0.81 0.00 0.00 59.98 58.54 3bga h ARG 802 Cb 0.06 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3bga h ARG 802 CO 0.00 1.06 -0.99 -0.07 -1.51 0.00 0.00 179.97 178.46 3bga h LEU 803 N 0.88 0.79 -0.42 3.80 4.07 -1.74 -1.62 115.31 121.06 3bga h LEU 803 Ca 0.13 -0.62 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 3bga h LEU 803 Cb 0.69 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 3bga h LEU 803 CO 0.05 1.42 0.23 -0.50 -1.08 0.00 0.00 178.44 178.57 3bga h TRP 804 N 0.35 0.56 -0.02 1.13 6.55 -1.32 -0.65 115.95 122.55 3bga h TRP 804 Ca -0.11 -0.01 -0.15 0.00 0.95 0.00 0.00 58.89 59.57 3bga h TRP 804 Cb 1.64 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 29.74 3bga h TRP 804 CO 0.09 0.42 -0.69 0.00 -1.05 0.00 0.00 178.44 177.21 3bga h ARG 805 N 0.54 0.09 -0.21 0.49 3.08 -1.02 -0.84 114.38 116.51 3bga h ARG 805 Ca 0.15 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3bga h ARG 805 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3bga h ARG 805 CO -0.02 0.74 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.17 3bga h LYS 806 N 0.06 0.38 -0.01 0.04 3.64 -0.93 -1.26 116.57 118.50 3bga h LYS 806 Ca -0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3bga h LYS 806 Cb 1.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3bga h LYS 806 CO 0.10 0.59 -0.14 0.00 -2.27 0.00 0.00 179.45 177.73 3bga n ALA 807 N -2.48 2.83 -1.74 5.00 0.00 -0.28 -4.93 120.51 118.90 3bga n ALA 807 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 3bga n ALA 807 Cb 0.37 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3bga n ALA 807 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 808 N 1.28 0.68 0.13 0.00 0.00 -0.48 -4.74 105.19 102.06 3bga n GLY 808 Ca 0.14 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.84 3bga n GLY 808 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bga n LEU 809 N -1.55 0.49 -1.05 0.99 4.77 -0.38 -0.80 117.00 119.46 3bga n LEU 809 Ca -0.13 0.71 0.10 0.00 -0.03 0.00 0.00 56.01 56.66 3bga n LEU 809 Cb 0.49 -0.74 0.27 0.00 -2.33 0.00 0.00 43.42 41.11 3bga n LEU 809 CO 0.18 -0.81 0.73 -0.46 -1.33 0.00 0.00 177.39 175.69 3bga n ASN 810 N -2.13 3.09 -3.06 -1.43 6.94 -1.26 -4.16 115.26 113.25 3bga n ASN 810 Ca -0.01 -1.96 -0.16 0.00 -0.02 0.00 0.00 54.58 52.43 3bga n ASN 810 Cb 0.06 -0.33 -0.01 0.00 -2.36 0.00 0.00 39.78 37.14 3bga n ASN 810 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3bga n ASN 811 N 1.21 0.79 -4.87 0.53 3.02 0.02 -5.06 115.26 110.90 3bga n ASN 811 Ca 0.19 -2.97 -0.33 0.00 -0.03 0.00 0.00 54.58 51.44 3bga n ASN 811 Cb 0.51 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 3bga n ASN 811 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bga s LEU 812 N -2.57 4.25 -0.01 3.41 1.43 -1.25 -2.43 118.68 121.52 3bga s LEU 812 Ca 0.36 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 3bga s LEU 812 Cb 0.37 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3bga s LEU 812 CO -0.05 0.02 0.02 0.42 0.23 0.00 0.00 176.35 176.99 3bga s THR 813 N -1.64 0.00 -0.06 5.49 -4.23 -0.65 -5.00 115.64 109.55 3bga s THR 813 Ca 0.42 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 3bga s THR 813 Cb -0.13 -0.05 -0.04 0.00 1.34 0.00 0.00 72.50 73.62 3bga s THR 813 CO 0.20 -0.02 0.04 -1.10 -0.54 0.00 0.00 174.62 173.20 3bga s GLN 814 N -0.06 3.05 -0.09 3.99 -0.21 -1.26 -1.49 119.66 123.60 3bga s GLN 814 Ca -0.01 -0.40 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 3bga s GLN 814 Cb -0.01 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.17 3bga s GLN 814 CO 0.00 0.70 -0.03 0.21 -2.12 0.00 0.00 175.29 174.05 3bga s LYS 815 N -1.17 0.99 0.25 2.91 2.20 -0.68 -4.03 119.74 120.21 3bga s LYS 815 Ca 0.16 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 3bga s LYS 815 Cb -0.12 -1.24 -0.10 0.00 -1.51 0.00 0.00 37.83 34.87 3bga s LYS 815 CO 0.06 -0.29 1.39 0.14 -0.36 0.00 0.00 175.35 176.29 3bga s VAL 816 N 1.86 2.80 0.00 4.02 -7.23 0.53 -0.87 120.40 121.51 3bga s VAL 816 Ca 0.05 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 3bga s VAL 816 Cb -0.12 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3bga s VAL 816 CO -0.06 0.11 0.00 0.55 -0.31 0.00 0.00 175.10 175.39 3bga n VAL 817 N 2.22 0.00 -3.64 1.32 3.14 -0.38 -4.91 118.33 116.08 3bga n VAL 817 Ca 0.06 -0.44 -0.10 0.00 -2.96 0.00 0.00 64.34 60.90 3bga n VAL 817 Cb 0.41 0.95 -0.07 0.00 -1.06 0.00 0.00 33.84 34.07 3bga n VAL 817 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3bga s SER 818 N -1.08 -0.85 -0.15 6.55 0.15 -1.05 -4.99 113.70 112.27 3bga s SER 818 Ca 0.00 1.47 -0.09 0.00 0.70 0.00 0.00 55.95 58.03 3bga s SER 818 Cb 0.00 1.41 0.05 0.00 -1.71 0.00 0.00 66.02 65.77 3bga s SER 818 CO 0.00 -0.24 0.37 -0.22 1.20 0.00 0.00 173.24 174.35 3bga s LEU 819 N 1.08 0.12 -0.05 3.45 2.96 -1.26 -1.60 118.68 123.39 3bga s LEU 819 Ca -0.06 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 3bga s LEU 819 Cb -0.05 1.20 0.03 0.00 0.50 0.00 0.00 46.19 47.87 3bga s LEU 819 CO -0.11 -0.18 0.08 -0.75 -1.32 0.00 0.00 176.35 174.08 3bga s LYS 820 N 1.19 -0.05 -0.07 1.98 2.20 -0.20 -5.02 119.74 119.78 3bga s LYS 820 Ca -0.08 0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 3bga s LYS 820 Cb -0.08 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 3bga s LYS 820 CO -0.10 -0.31 -0.20 -1.21 -0.36 0.00 0.00 175.35 173.17 3bga s GLU 821 N 2.08 2.71 0.53 4.03 2.02 -1.26 -0.53 118.70 128.28 3bga s GLU 821 Ca 0.03 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.26 3bga s GLU 821 Cb -0.12 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.83 3bga s GLU 821 CO -0.04 0.41 0.36 -1.21 0.02 0.00 0.00 175.26 174.80 3bga s GLU 822 N -0.20 2.26 0.16 1.61 0.41 0.18 -5.00 118.70 118.12 3bga s GLU 822 Ca -0.01 -2.03 -0.15 0.00 -0.41 0.00 0.00 54.97 52.37 3bga s GLU 822 Cb -0.13 -2.05 0.04 0.00 -1.78 0.00 0.00 34.13 30.20 3bga s GLU 822 CO 0.03 -0.56 1.80 -0.22 -0.49 0.00 0.00 175.26 175.83 3bga h LYS 823 N 0.84 0.63 -0.27 1.61 3.64 -2.02 -3.24 116.57 117.76 3bga h LYS 823 Ca -0.38 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3bga h LYS 823 Cb 1.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3bga h LYS 823 CO 0.59 0.45 0.00 0.25 -2.27 0.00 0.00 179.45 178.47 3bga n THR 824 N -4.73 0.87 -4.04 1.00 -2.24 -1.26 -5.03 114.28 98.85 3bga n THR 824 Ca 0.02 -0.93 -0.10 0.00 -2.27 0.00 0.00 64.05 60.76 3bga n THR 824 Cb 0.04 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3bga n THR 824 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bga s SER 825 N -0.98 0.10 -0.20 3.42 1.04 -1.22 -1.82 113.70 114.03 3bga s SER 825 Ca 0.20 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.48 3bga s SER 825 Cb 0.11 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.70 3bga s SER 825 CO 0.14 -0.88 0.51 0.00 0.98 0.00 0.00 173.24 173.99 3bga s ALA 826 N -4.02 -1.31 -0.12 5.32 0.00 0.11 -0.65 121.76 121.09 3bga s ALA 826 Ca 0.22 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.93 3bga s ALA 826 Cb 0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 3bga s ALA 826 CO 0.03 -0.29 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 3bga s THR 827 N 1.17 2.52 0.03 0.00 2.01 0.31 -0.71 115.64 120.97 3bga s THR 827 Ca -0.07 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3bga s THR 827 Cb -0.06 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3bga s THR 827 CO -0.11 0.54 -0.05 0.54 -0.69 0.00 0.00 174.62 174.85 3bga s VAL 828 N 0.48 0.29 -0.07 3.82 0.11 0.05 -1.04 120.40 124.04 3bga s VAL 828 Ca -0.12 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 57.87 3bga s VAL 828 Cb -0.17 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3bga s VAL 828 CO 0.05 -0.51 -0.12 -0.60 -3.33 0.00 0.00 175.10 170.59 3bga s ARG 829 N -1.77 1.73 0.05 1.54 3.52 -0.63 0.16 118.95 123.56 3bga s ARG 829 Ca -0.11 -0.41 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3bga s ARG 829 Cb -0.08 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.82 3bga s ARG 829 CO -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 175.30 174.44 3bga s ALA 830 N 0.75 0.47 0.21 6.12 0.00 0.17 -1.25 121.76 128.23 3bga s ALA 830 Ca -0.13 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 3bga s ALA 830 Cb -0.16 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 3bga s ALA 830 CO 0.03 -0.26 0.56 -1.21 0.00 0.00 0.00 175.76 174.87 3bga s GLU 831 N -3.02 3.86 -0.29 0.00 2.02 -0.05 -0.28 118.70 120.94 3bga s GLU 831 Ca -0.00 0.35 -0.04 0.00 0.02 0.00 0.00 54.97 55.30 3bga s GLU 831 Cb 0.01 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.56 3bga s GLU 831 CO -0.06 0.35 0.02 0.42 0.02 0.00 0.00 175.26 176.01 3bga s ILE 832 N -1.73 3.33 0.05 -1.63 -1.09 -0.73 -1.69 121.20 117.71 3bga s ILE 832 Ca 0.45 -1.05 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 3bga s ILE 832 Cb -0.12 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3bga s ILE 832 CO 0.20 0.03 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.08 3bga s LEU 833 N 1.36 3.00 0.00 2.97 2.01 -0.55 0.18 118.68 127.65 3bga s LEU 833 Ca -0.01 -0.30 -0.01 0.00 0.01 0.00 0.00 54.13 53.83 3bga s LEU 833 Cb -0.18 -1.76 0.02 0.00 0.01 0.00 0.00 46.19 44.28 3bga s LEU 833 CO -0.01 0.24 0.13 -0.46 1.01 0.00 0.00 176.35 177.26 3bga n ASN 834 N 1.24 0.10 0.09 2.29 0.23 -1.16 -1.64 115.26 116.42 3bga n ASN 834 Ca -0.15 -1.10 0.09 0.00 -0.53 0.00 0.00 54.58 52.89 3bga n ASN 834 Cb 0.52 -0.09 0.40 0.00 -2.08 0.00 0.00 39.78 38.53 3bga n ASN 834 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bga n GLY 835 N 4.06 -1.04 1.59 4.83 0.00 -1.02 -2.38 105.19 111.23 3bga n GLY 835 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3bga n GLY 835 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bga n LYS 836 N -1.95 2.64 -0.22 1.61 5.02 -1.26 -4.93 118.16 119.07 3bga n LYS 836 Ca 0.02 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3bga n LYS 836 Cb 0.15 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3bga n LYS 836 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bga n GLY 837 N -0.76 0.37 3.43 0.72 0.00 -1.00 -4.95 105.19 103.00 3bga n GLY 837 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 3bga n GLY 837 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bga s GLN 838 N -0.32 -1.49 -0.45 1.61 -0.21 -1.26 -4.74 119.66 112.80 3bga s GLN 838 Ca 0.00 0.74 -0.11 0.00 0.02 0.00 0.00 55.36 56.01 3bga s GLN 838 Cb 0.00 -1.49 0.09 0.00 1.00 0.00 0.00 33.01 32.61 3bga s GLN 838 CO 0.00 -4.08 0.32 0.21 -2.12 0.00 0.00 175.29 169.62 3bga s LYS 839 N -4.47 2.68 0.19 2.91 2.47 -1.26 -2.97 119.74 119.28 3bga s LYS 839 Ca 0.69 -1.52 -0.06 0.00 -1.56 0.00 0.00 55.97 53.52 3bga s LYS 839 Cb -0.24 -3.91 0.12 0.00 -1.46 0.00 0.00 37.83 32.33 3bga s LYS 839 CO 0.65 -1.04 1.57 0.28 0.16 0.00 0.00 175.35 176.97 3bga h VAL 840 N 6.01 1.28 0.00 4.02 2.07 -0.61 -3.42 116.25 125.60 3bga h VAL 840 Ca -0.24 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.82 3bga h VAL 840 Cb 1.09 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3bga h VAL 840 CO 0.82 0.48 0.00 0.61 0.02 0.00 0.00 177.57 179.50 3bga n GLY 841 N -0.07 -0.40 3.64 2.17 0.00 -1.18 -1.22 105.19 108.13 3bga n GLY 841 Ca -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 3bga n GLY 841 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 843 N -1.00 -2.11 -0.13 4.61 0.00 0.61 -1.77 121.76 121.98 3bga s ALA 843 Ca 0.00 1.76 0.02 0.00 0.00 0.00 0.00 51.96 53.73 3bga s ALA 843 Cb 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3bga s ALA 843 CO 0.00 -0.18 -0.17 -0.51 0.00 0.00 0.00 175.76 174.90 3bga s ASP 844 N -0.13 2.71 0.11 0.00 1.01 -0.20 0.46 116.67 120.65 3bga s ASP 844 Ca 0.05 -0.50 0.10 0.00 0.71 0.00 0.00 52.55 52.92 3bga s ASP 844 Cb -0.04 -1.23 -0.04 0.00 1.01 0.00 0.00 42.92 42.62 3bga s ASP 844 CO -0.10 0.03 -0.26 -0.36 0.21 0.00 0.00 175.17 174.68 3bga s PHE 845 N 1.00 2.25 -0.16 4.23 0.08 0.12 -1.21 117.98 124.30 3bga s PHE 845 Ca -0.05 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 3bga s PHE 845 Cb -0.15 -1.24 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 3bga s PHE 845 CO -0.03 0.29 0.12 0.08 -0.10 0.00 0.00 175.22 175.57 3bga s VAL 846 N -1.02 -0.15 -0.24 -0.44 1.01 -0.57 -0.77 120.40 118.22 3bga s VAL 846 Ca 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 3bga s VAL 846 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3bga s VAL 846 CO 0.05 -0.19 0.11 -0.31 0.00 0.00 0.00 175.10 174.77 3bga s TYR 847 N 2.19 3.19 -0.02 5.22 2.02 0.11 -1.62 117.35 128.43 3bga s TYR 847 Ca 0.03 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3bga s TYR 847 Cb -0.15 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 3bga s TYR 847 CO -0.09 -0.14 0.04 0.00 -1.57 0.00 0.00 175.55 173.80 3bga s ALA 848 N 1.31 -0.02 -0.07 3.71 0.00 -0.82 -0.71 121.76 125.17 3bga s ALA 848 Ca 0.06 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.12 3bga s ALA 848 Cb -0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3bga s ALA 848 CO 0.05 -0.08 0.43 -0.51 0.00 0.00 0.00 175.76 175.65 3bga s LEU 849 N 0.66 4.37 1.02 0.00 1.43 -0.76 -0.66 118.68 124.75 3bga s LEU 849 Ca -0.05 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 53.73 3bga s LEU 849 Cb -0.08 -2.61 0.22 0.00 0.03 0.00 0.00 46.19 43.75 3bga s LEU 849 CO -0.02 0.16 1.25 -1.81 0.23 0.00 0.00 176.35 176.16 3bga s ASP 850 N -0.19 2.58 0.19 2.29 1.01 0.19 -4.93 116.67 117.81 3bga s ASP 850 Ca 0.24 0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.99 3bga s ASP 850 Cb -0.16 -0.57 0.07 0.00 1.01 0.00 0.00 42.92 43.28 3bga s ASP 850 CO 0.11 -3.08 1.44 0.11 0.21 0.00 0.00 175.17 173.96 3bga h LYS 851 N -1.88 0.07 -0.76 8.23 1.57 -1.99 -3.09 116.57 118.74 3bga h LYS 851 Ca -0.45 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3bga h LYS 851 Cb 1.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3bga h LYS 851 CO 0.39 0.84 0.00 0.27 -0.57 0.00 0.00 179.45 180.38 3bga n ASN 852 N -3.63 3.61 -0.00 0.86 0.23 -1.26 -4.90 115.26 110.16 3bga n ASN 852 Ca -0.02 -2.50 -0.00 0.00 -0.53 0.00 0.00 54.58 51.53 3bga n ASN 852 Cb 0.77 -0.60 -0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3bga n ASN 852 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bga n GLY 853 N 0.37 0.49 3.80 4.83 0.00 -1.17 -4.47 105.19 109.05 3bga n GLY 853 Ca 0.15 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3bga n GLY 853 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bga s ALA 854 N -1.98 3.45 -0.33 4.61 0.00 -1.26 -4.52 121.76 121.73 3bga s ALA 854 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 3bga s ALA 854 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.30 3bga s ALA 854 CO 0.00 0.33 0.13 -1.17 0.00 0.00 0.00 175.76 175.05 3bga s LEU 855 N -1.53 4.23 -0.15 0.00 2.96 -0.00 0.55 118.68 124.73 3bga s LEU 855 Ca 0.38 -0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 3bga s LEU 855 Cb -0.20 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3bga s LEU 855 CO 0.23 -0.27 0.56 -0.75 -1.32 0.00 0.00 176.35 174.80 3bga s LYS 856 N 1.51 4.29 -0.33 1.98 2.20 0.17 -0.33 119.74 129.23 3bga s LYS 856 Ca 0.02 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 3bga s LYS 856 Cb -0.18 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.70 3bga s LYS 856 CO 0.04 -0.04 0.05 0.08 -0.36 0.00 0.00 175.35 175.12 3bga s VAL 857 N 1.24 2.96 -0.13 4.02 1.01 0.14 -1.94 120.40 127.69 3bga s VAL 857 Ca 0.28 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 3bga s VAL 857 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3bga s VAL 857 CO 0.11 -0.28 0.22 -0.13 0.00 0.00 0.00 175.10 175.03 3bga s ARG 858 N 1.19 3.89 -0.00 2.72 0.52 -0.64 -1.60 118.95 125.02 3bga s ARG 858 Ca -0.01 0.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3bga s ARG 858 Cb -0.20 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.96 3bga s ARG 858 CO -0.03 0.52 -0.02 0.99 0.02 0.00 0.00 175.30 176.79 3bga s THR 859 N -0.35 0.17 -0.08 0.02 2.01 -0.09 -1.50 115.64 115.82 3bga s THR 859 Ca 0.15 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.07 3bga s THR 859 Cb -0.13 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.25 3bga s THR 859 CO 0.04 0.05 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.04 3bga s THR 860 N -0.04 0.98 -0.09 -0.82 2.01 -0.35 -0.68 115.64 116.65 3bga s THR 860 Ca 0.01 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3bga s THR 860 Cb -0.01 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.56 3bga s THR 860 CO -0.00 0.33 -0.22 0.12 -0.69 0.00 0.00 174.62 174.16 3bga s PHE 861 N 1.08 2.39 -0.30 4.92 5.36 0.61 -1.03 117.98 131.02 3bga s PHE 861 Ca -0.07 -0.95 0.03 0.00 -0.96 0.00 0.00 56.93 54.97 3bga s PHE 861 Cb -0.14 -1.61 0.08 0.00 -0.34 0.00 0.00 43.02 41.00 3bga s PHE 861 CO -0.01 -0.39 -0.02 -1.14 -1.46 0.00 0.00 175.22 172.20 3bga s GLN 862 N 0.35 1.97 0.51 10.12 2.00 -1.26 -1.08 119.66 132.27 3bga s GLN 862 Ca -0.17 -1.56 -0.14 0.00 -2.00 0.00 0.00 55.36 51.48 3bga s GLN 862 Cb -0.17 -3.08 -0.07 0.00 0.80 0.00 0.00 33.01 30.49 3bga s GLN 862 CO 0.08 -0.74 0.95 -1.25 -0.50 0.00 0.00 175.29 173.83 3bga s PRO 863 N 1.05 3.84 -0.78 1.67 0.04 -1.26 -4.37 135.00 135.18 3bga s PRO 863 Ca -0.00 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.68 3bga s PRO 863 Cb -0.20 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.33 3bga s PRO 863 CO -0.06 -0.28 0.81 0.34 0.04 0.00 0.00 177.00 177.86 3bga s ASP 864 N -3.33 6.56 0.00 6.66 2.15 -0.36 -4.90 116.67 123.46 3bga s ASP 864 Ca 0.56 -2.20 0.00 0.00 0.43 0.00 0.00 52.55 51.34 3bga s ASP 864 Cb -0.10 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3bga s ASP 864 CO 0.36 -0.83 0.52 0.35 -0.17 0.00 0.00 175.17 175.41 3bga n THR 865 N 4.77 0.53 0.06 1.71 -2.24 -1.26 -0.63 114.28 117.22 3bga n THR 865 Ca 0.09 0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.98 3bga n THR 865 Cb 0.46 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.35 3bga n THR 865 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga h ALA 866 N 1.24 0.35 0.00 6.98 0.00 -1.95 -3.39 119.26 122.49 3bga h ALA 866 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 54.91 53.59 3bga h ALA 866 Cb 0.16 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3bga h ALA 866 CO 0.00 1.23 -2.14 -0.89 0.00 0.00 0.00 179.25 177.44 3bga n ILE 867 N -3.36 1.15 -3.32 0.00 5.41 0.20 -4.89 119.36 114.55 3bga n ILE 867 Ca -0.07 -0.56 -0.44 0.00 1.00 0.00 0.00 62.75 62.68 3bga n ILE 867 Cb 0.99 -0.92 -0.07 0.00 -0.71 0.00 0.00 39.64 38.93 3bga n ILE 867 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bga s VAL 868 N -2.40 5.11 -0.67 1.39 1.01 -0.78 -4.61 120.40 119.45 3bga s VAL 868 Ca -0.18 -0.80 0.22 0.00 0.00 0.00 0.00 61.98 61.21 3bga s VAL 868 Cb 0.06 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 3bga s VAL 868 CO 0.57 -0.62 0.88 0.29 0.00 0.00 0.00 175.10 176.22 3bga n LYS 869 N 5.53 0.23 -1.21 2.72 4.76 -1.26 -4.47 118.16 124.46 3bga n LYS 869 Ca -0.10 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 3bga n LYS 869 Cb 0.45 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 3bga n LYS 869 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3bga n SER 870 N -1.81 0.00 0.00 4.39 2.88 -1.26 -4.98 113.62 112.84 3bga n SER 870 Ca 0.02 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 3bga n SER 870 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3bga n SER 870 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bga n ALA 872 N -3.00 1.98 -3.73 -1.46 0.00 -0.21 -4.56 120.51 109.53 3bga n ALA 872 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3bga n ALA 872 Cb 0.00 0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.86 3bga n ALA 872 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3bga n ARG 873 N -2.25 0.92 -3.39 0.00 1.85 -1.06 -1.45 116.66 111.29 3bga n ARG 873 Ca 0.00 -1.84 -0.13 0.00 -1.00 0.00 0.00 57.85 54.88 3bga n ARG 873 Cb 0.47 2.33 -0.09 0.00 -1.05 0.00 0.00 32.46 34.12 3bga n ARG 873 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3bga s LEU 874 N 0.00 -0.45 0.00 2.89 2.96 -0.49 -4.23 118.68 119.36 3bga s LEU 874 Ca 0.16 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3bga s LEU 874 Cb -0.04 0.83 0.00 0.00 0.50 0.00 0.00 46.19 47.48 3bga s LEU 874 CO 0.09 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3bga n GLY 875 N 5.34 1.22 3.66 7.98 0.00 -1.03 -0.79 105.19 121.57 3bga n GLY 875 Ca -0.03 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 3bga n GLY 875 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bga s LEU 876 N 0.00 3.25 -0.05 0.99 1.43 0.11 -0.89 118.68 123.52 3bga s LEU 876 Ca 0.00 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 3bga s LEU 876 Cb 0.00 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.42 3bga s LEU 876 CO 0.00 0.03 0.31 0.28 0.23 0.00 0.00 176.35 177.20 3bga s THR 877 N -2.11 0.04 0.20 5.49 -1.32 -0.40 -1.12 115.64 116.41 3bga s THR 877 Ca 0.30 -0.34 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 3bga s THR 877 Cb -0.07 -0.57 0.07 0.00 -1.51 0.00 0.00 72.50 70.42 3bga s THR 877 CO 0.20 -0.19 1.00 0.72 -2.21 0.00 0.00 174.62 174.14 3bga s PHE 878 N -0.89 0.03 0.21 9.09 -0.12 -0.90 -1.09 117.98 124.31 3bga s PHE 878 Ca -0.10 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.37 3bga s PHE 878 Cb -0.04 0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 43.04 3bga s PHE 878 CO 0.03 -0.96 0.09 0.54 -0.05 0.00 0.00 175.22 174.87 3bga n ARG 879 N -0.64 0.65 -3.31 1.99 1.74 -1.24 -0.63 116.66 115.21 3bga n ARG 879 Ca -0.04 -1.80 -0.32 0.00 -0.77 0.00 0.00 57.85 54.92 3bga n ARG 879 Cb 0.60 1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 33.05 3bga n ARG 879 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bga s ALA 881 N -2.61 3.49 -1.07 7.54 0.00 -1.26 0.25 121.76 128.10 3bga s ALA 881 Ca 0.13 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.00 3bga s ALA 881 Cb 0.01 -2.54 0.41 0.00 0.00 0.00 0.00 23.12 21.00 3bga s ALA 881 CO 0.09 0.44 1.28 -0.40 0.00 0.00 0.00 175.76 177.17 3bga n ASP 882 N -0.26 0.00 0.25 0.00 5.68 0.34 -2.15 116.55 120.41 3bga n ASP 882 Ca 0.01 0.44 0.07 0.00 -0.50 0.00 0.00 54.79 54.82 3bga n ASP 882 Cb 0.53 -0.46 0.60 0.00 -1.14 0.00 0.00 41.12 40.64 3bga n ASP 882 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bga h ALA 883 N 2.34 1.91 -0.98 2.12 0.00 -1.97 -3.30 119.26 119.38 3bga h ALA 883 Ca 0.00 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 3bga h ALA 883 Cb 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3bga h ALA 883 CO 0.00 0.07 1.88 0.71 0.00 0.00 0.00 179.25 181.90 3bga s TYR 884 N -4.96 2.66 -0.59 0.00 2.02 -0.91 -4.33 117.35 111.23 3bga s TYR 884 Ca -0.05 -1.26 0.09 0.00 -0.37 0.00 0.00 57.07 55.48 3bga s TYR 884 Cb 0.17 -4.73 -0.05 0.00 -0.40 0.00 0.00 41.96 36.95 3bga s TYR 884 CO 0.68 -1.87 0.47 0.27 -1.57 0.00 0.00 175.55 173.53 3bga n ASN 885 N 8.64 0.75 -4.58 2.29 6.94 -0.88 -4.74 115.26 123.67 3bga n ASN 885 Ca 0.42 -0.87 -0.42 0.00 -0.02 0.00 0.00 54.58 53.68 3bga n ASN 885 Cb 0.48 0.74 -0.05 0.00 -2.36 0.00 0.00 39.78 38.60 3bga n ASN 885 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3bga s GLN 886 N -1.53 3.69 -0.11 -3.83 -1.52 0.20 -2.74 119.66 113.82 3bga s GLN 886 Ca 0.05 0.24 -0.01 0.00 -1.95 0.00 0.00 55.36 53.70 3bga s GLN 886 Cb 0.07 -3.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 3bga s GLN 886 CO 0.28 -0.91 -0.07 0.08 -0.25 0.00 0.00 175.29 174.42 3bga s VAL 887 N 3.17 3.64 0.03 1.09 1.01 0.38 -0.89 120.40 128.83 3bga s VAL 887 Ca 0.32 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3bga s VAL 887 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3bga s VAL 887 CO 0.18 0.55 -0.05 -0.55 0.00 0.00 0.00 175.10 175.24 3bga s SER 888 N -0.23 0.49 -0.01 3.32 0.15 0.31 -0.49 113.70 117.23 3bga s SER 888 Ca 0.03 -0.50 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 3bga s SER 888 Cb -0.13 0.07 0.10 0.00 -1.71 0.00 0.00 66.02 64.35 3bga s SER 888 CO 0.03 -0.25 0.85 -0.72 1.20 0.00 0.00 173.24 174.35 3bga s TYR 889 N -1.37 -0.40 -0.27 3.44 -0.85 -0.70 0.80 117.35 118.01 3bga s TYR 889 Ca -0.13 0.36 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 3bga s TYR 889 Cb -0.10 0.52 0.04 0.00 0.38 0.00 0.00 41.96 42.80 3bga s TYR 889 CO -0.00 -0.55 -0.03 -1.17 -1.52 0.00 0.00 175.55 172.27 3bga s LEU 890 N -2.20 3.53 0.00 -3.49 2.96 0.08 -1.23 118.68 118.34 3bga s LEU 890 Ca 0.02 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 3bga s LEU 890 Cb -0.01 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3bga s LEU 890 CO -0.06 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3bga n GLY 891 N 4.66 -1.67 3.58 7.98 0.00 -1.10 -0.02 105.19 118.62 3bga n GLY 891 Ca -0.15 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 3bga n GLY 891 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3bga n ARG 892 N -0.30 1.89 -4.63 1.61 0.63 -0.18 -2.50 116.66 113.18 3bga n ARG 892 Ca 0.00 0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 57.21 3bga n ARG 892 Cb 0.00 -3.01 -0.09 0.00 0.45 0.00 0.00 32.46 29.81 3bga n ARG 892 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3bga s GLY 893 N 7.37 2.63 -0.95 5.14 0.00 0.73 -4.28 107.32 117.96 3bga s GLY 893 Ca 1.01 -1.45 -0.03 0.00 0.00 0.00 0.00 44.72 44.25 3bga s GLY 893 CO 0.40 -2.05 0.36 1.34 0.00 0.00 0.00 173.10 173.15 3bga n ASP 894 N -1.07 -4.31 0.00 1.64 2.03 -1.26 -4.14 116.55 109.43 3bga n ASP 894 Ca -0.10 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.05 3bga n ASP 894 Cb 0.67 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 3bga n ASP 894 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bga n HIS 895 N -4.01 0.00 -1.68 -0.67 1.44 -1.26 -5.08 115.22 103.96 3bga n HIS 895 Ca -0.07 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.19 3bga n HIS 895 Cb 0.57 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.65 3bga n HIS 895 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3bga n GLU 896 N -0.86 2.30 -4.10 -1.40 2.13 -1.26 -4.90 120.64 112.55 3bga n GLU 896 Ca 0.00 0.83 -0.10 0.00 0.66 0.00 0.00 57.16 58.55 3bga n GLU 896 Cb 0.00 -2.63 -0.09 0.00 0.27 0.00 0.00 31.44 28.99 3bga n GLU 896 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3bga s THR 897 N 1.35 0.08 0.13 6.31 -4.23 -0.94 -4.80 115.64 113.55 3bga s THR 897 Ca 0.80 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 3bga s THR 897 Cb -0.64 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 3bga s THR 897 CO 0.38 -0.36 0.10 -0.31 -0.54 0.00 0.00 174.62 173.89 3bga s TYR 898 N -4.03 0.76 0.49 3.99 2.02 -0.83 -4.27 117.35 115.47 3bga s TYR 898 Ca 0.23 -1.13 0.21 0.00 -0.37 0.00 0.00 57.07 56.01 3bga s TYR 898 Cb 0.06 -0.39 1.24 0.00 -0.40 0.00 0.00 41.96 42.47 3bga s TYR 898 CO 0.02 -0.56 1.97 -0.84 -1.57 0.00 0.00 175.55 174.58 3bga h ILE 899 N 2.81 0.78 -0.56 2.71 3.07 -1.85 0.20 117.51 124.67 3bga h ILE 899 Ca -0.34 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.00 3bga h ILE 899 Cb 1.20 0.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3bga h ILE 899 CO 0.57 0.03 0.00 -0.90 -1.05 0.00 0.00 178.15 176.80 3bga n ASP 900 N -4.42 5.28 -2.77 2.16 5.75 -1.26 -4.46 116.55 116.83 3bga n ASP 900 Ca 0.11 -2.81 -0.10 0.00 -0.01 0.00 0.00 54.79 51.98 3bga n ASP 900 Cb 0.54 -0.64 0.07 0.00 -1.03 0.00 0.00 41.12 40.05 3bga n ASP 900 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bga n ARG 901 N 0.63 0.93 -1.61 0.11 0.63 0.65 -0.77 116.66 117.23 3bga n ARG 901 Ca 0.27 -1.98 0.02 0.00 -0.92 0.00 0.00 57.85 55.24 3bga n ARG 901 Cb 1.08 -1.21 0.01 0.00 0.45 0.00 0.00 32.46 32.80 3bga n ARG 901 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3bga n ASN 902 N 0.80 0.70 0.13 6.15 6.94 -0.93 -1.97 115.26 127.09 3bga n ASN 902 Ca 0.08 -2.01 0.01 0.00 -0.02 0.00 0.00 54.58 52.64 3bga n ASN 902 Cb 0.67 -0.21 0.07 0.00 -2.36 0.00 0.00 39.78 37.95 3bga n ASN 902 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3bga h GLN 903 N 1.03 0.00 -7.46 -3.83 1.08 -1.93 -3.46 115.11 100.55 3bga h GLN 903 Ca -0.28 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.45 3bga h GLN 903 Cb 1.74 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 29.25 3bga h GLN 903 CO 0.04 0.59 0.35 -1.54 -0.95 0.00 0.00 178.83 177.32 3bga s SER 904 N -6.53 4.96 0.14 1.46 1.04 -1.26 -4.93 113.70 108.58 3bga s SER 904 Ca 0.02 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.26 3bga s SER 904 Cb 0.09 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.73 3bga s SER 904 CO 0.75 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3bga n GLY 905 N -3.07 -2.12 3.27 7.32 0.00 -1.26 -4.94 105.19 104.40 3bga n GLY 905 Ca 0.07 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3bga n GLY 905 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bga s ARG 906 N -1.49 1.01 0.20 1.61 3.00 -1.26 -4.92 118.95 117.10 3bga s ARG 906 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 55.73 54.37 3bga s ARG 906 Cb 0.00 0.36 -0.08 0.00 0.00 0.00 0.00 34.95 35.23 3bga s ARG 906 CO 0.00 -0.35 0.96 0.42 0.00 0.00 0.00 175.30 176.33 3bga s ILE 907 N -3.91 4.16 -1.17 1.52 1.01 -1.26 -0.20 121.20 121.35 3bga s ILE 907 Ca 0.11 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.80 3bga s ILE 907 Cb 0.04 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3bga s ILE 907 CO -0.05 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3bga n GLY 908 N 1.71 -1.48 3.70 6.18 0.00 -1.04 -4.91 105.19 109.36 3bga n GLY 908 Ca -0.01 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3bga n GLY 908 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bga s LEU 909 N 0.00 4.27 0.01 0.99 1.43 -1.26 -2.73 118.68 121.40 3bga s LEU 909 Ca 0.00 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 3bga s LEU 909 Cb 0.00 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3bga s LEU 909 CO 0.00 -0.19 -0.10 -0.31 0.23 0.00 0.00 176.35 175.99 3bga s TYR 910 N 1.16 0.88 -0.04 0.29 2.02 -0.37 -5.00 117.35 116.29 3bga s TYR 910 Ca 0.37 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.86 3bga s TYR 910 Cb -0.17 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3bga s TYR 910 CO 0.17 -0.01 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.44 3bga s ASP 911 N -0.68 2.31 0.00 2.29 1.01 -1.26 -1.71 116.67 118.62 3bga s ASP 911 Ca 0.01 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.89 3bga s ASP 911 Cb -0.06 -0.52 0.00 0.00 1.01 0.00 0.00 42.92 43.35 3bga s ASP 911 CO 0.00 0.19 0.00 1.07 0.21 0.00 0.00 175.17 176.64 3bga n THR 912 N 2.95 0.00 -4.41 -1.27 5.66 0.36 -5.01 114.28 112.56 3bga n THR 912 Ca -0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 3bga n THR 912 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 3bga n THR 912 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3bga s THR 913 N -2.69 1.72 0.14 1.09 -4.23 -1.26 -0.47 115.64 109.94 3bga s THR 913 Ca 0.00 -2.16 -0.17 0.00 -1.18 0.00 0.00 61.69 58.17 3bga s THR 913 Cb 0.00 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3bga s THR 913 CO 0.00 -0.39 1.78 0.58 -0.54 0.00 0.00 174.62 176.06 3bga h VAL 914 N 2.35 1.10 -0.89 2.29 2.07 -1.86 -2.66 116.25 118.66 3bga h VAL 914 Ca -0.39 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3bga h VAL 914 Cb 1.23 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3bga h VAL 914 CO 0.65 0.10 0.58 -0.33 0.02 0.00 0.00 177.57 178.60 3bga h GLU 915 N 0.44 1.04 -1.87 1.57 4.39 -1.91 -3.06 114.58 115.19 3bga h GLU 915 Ca 0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3bga h GLU 915 Cb -0.02 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 3bga h GLU 915 CO -0.02 0.69 0.00 -2.13 -1.16 0.00 0.00 179.01 176.39 3bga n ARG 916 N -4.46 0.43 -0.87 2.33 0.63 -1.01 -4.86 116.66 108.85 3bga n ARG 916 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3bga n ARG 916 Cb 0.14 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 31.77 3bga n ARG 916 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3bga n PHE 918 N 1.49 0.00 -3.40 -0.14 7.35 -1.16 -4.97 117.46 116.62 3bga n PHE 918 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 3bga n PHE 918 Cb 0.21 -0.36 -0.06 0.00 0.35 0.00 0.00 39.48 39.62 3bga n PHE 918 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3bga s HIS 919 N 0.00 3.56 -1.25 -5.13 5.65 -1.26 -5.01 115.29 111.85 3bga s HIS 919 Ca 0.00 0.86 -0.14 0.00 0.25 0.00 0.00 55.06 56.03 3bga s HIS 919 Cb 0.00 -2.44 0.15 0.00 -1.18 0.00 0.00 32.58 29.10 3bga s HIS 919 CO 0.00 0.30 1.59 0.66 -0.65 0.00 0.00 174.74 176.64 3bga n TYR 920 N 3.19 4.58 -2.12 3.88 4.01 -1.26 -4.91 117.16 124.53 3bga n TYR 920 Ca -0.10 -3.16 -0.39 0.00 -0.16 0.00 0.00 57.90 54.09 3bga n TYR 920 Cb 0.52 -2.26 -0.01 0.00 -0.31 0.00 0.00 39.34 37.28 3bga n TYR 920 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3bga s TYR 921 N 2.01 2.90 0.28 -0.72 2.02 -1.26 -4.88 117.35 117.69 3bga s TYR 921 Ca 0.45 1.45 -0.04 0.00 -0.37 0.00 0.00 57.07 58.56 3bga s TYR 921 Cb 0.01 -3.60 0.57 0.00 -0.40 0.00 0.00 41.96 38.54 3bga s TYR 921 CO 0.02 -1.88 1.59 0.00 -1.57 0.00 0.00 175.55 173.70 3bga h ALA 922 N 2.72 0.91 -2.80 3.71 0.00 -1.95 -3.26 119.26 118.59 3bga h ALA 922 Ca -0.49 0.31 -0.67 0.00 0.00 0.00 0.00 54.91 54.06 3bga h ALA 922 Cb 1.24 0.56 -0.20 0.00 0.00 0.00 0.00 17.79 19.40 3bga h ALA 922 CO 0.63 -0.48 -0.51 0.99 0.00 0.00 0.00 179.25 179.88 3bga s THR 923 N -6.10 5.08 0.06 0.00 2.01 -1.26 -3.81 115.64 111.61 3bga s THR 923 Ca -0.14 -0.20 -0.35 0.00 0.31 0.00 0.00 61.69 61.31 3bga s THR 923 Cb 0.26 -3.56 -0.15 0.00 0.01 0.00 0.00 72.50 69.06 3bga s THR 923 CO 0.77 0.07 1.57 -2.65 -0.69 0.00 0.00 174.62 173.68 3bga n PRO 924 N 5.06 1.76 -3.91 4.92 -0.02 -1.23 -4.94 135.00 136.64 3bga n PRO 924 Ca -0.13 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 3bga n PRO 924 Cb 0.50 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3bga n PRO 924 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3bga s GLN 925 N 1.50 2.04 0.43 -0.52 -2.07 -1.26 -4.76 119.66 115.01 3bga s GLN 925 Ca 0.84 -1.46 -0.24 0.00 -1.82 0.00 0.00 55.36 52.68 3bga s GLN 925 Cb -0.80 0.56 -0.10 0.00 -1.09 0.00 0.00 33.01 31.58 3bga s GLN 925 CO 0.45 -0.92 1.05 0.43 -1.32 0.00 0.00 175.29 174.99 3bga n SER 926 N -1.21 1.45 -3.49 12.60 7.64 -0.94 -4.96 113.62 124.70 3bga n SER 926 Ca -0.05 1.04 -0.04 0.00 1.01 0.00 0.00 58.87 60.83 3bga n SER 926 Cb 0.60 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3bga n SER 926 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3bga s THR 927 N -1.27 0.00 -0.60 0.44 -1.32 -1.26 -4.89 115.64 106.74 3bga s THR 927 Ca 0.63 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3bga s THR 927 Cb -0.54 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 3bga s THR 927 CO 0.56 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.97 3bga n ALA 928 N -0.58 -0.09 -1.79 11.08 0.00 -1.26 -4.80 120.51 123.08 3bga n ALA 928 Ca -0.05 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 3bga n ALA 928 Cb 0.60 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 3bga n ALA 928 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3bga s ASN 929 N -2.71 6.89 -0.05 0.00 3.84 -1.26 -4.27 114.94 117.39 3bga s ASN 929 Ca 0.00 1.89 0.03 0.00 0.21 0.00 0.00 52.86 54.99 3bga s ASN 929 Cb 0.00 -2.57 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 3bga s ASN 929 CO 0.00 -0.39 -0.12 -0.13 -2.79 0.00 0.00 177.10 173.67 3bga s ARG 930 N -2.64 1.44 0.41 0.43 1.81 -0.48 -2.20 118.95 117.71 3bga s ARG 930 Ca 0.58 -0.41 0.08 0.00 -1.72 0.00 0.00 55.73 54.25 3bga s ARG 930 Cb -0.17 -1.25 -0.01 0.00 -0.45 0.00 0.00 34.95 33.06 3bga s ARG 930 CO 0.22 0.11 0.44 0.95 -0.68 0.00 0.00 175.30 176.34 3bga s THR 931 N 0.35 2.88 -1.54 0.02 -4.23 -1.26 -2.45 115.64 109.41 3bga s THR 931 Ca -0.08 -1.22 -0.10 0.00 -1.18 0.00 0.00 61.69 59.11 3bga s THR 931 Cb -0.12 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.77 3bga s THR 931 CO 0.02 -0.02 0.70 0.47 -0.54 0.00 0.00 174.62 175.25 3bga n ASP 932 N -1.63 -2.46 -4.70 3.99 8.00 -1.18 -1.01 116.55 117.54 3bga n ASP 932 Ca 0.04 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 54.20 3bga n ASP 932 Cb 0.61 -3.19 -0.05 0.00 -0.02 0.00 0.00 41.12 38.47 3bga n ASP 932 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bga s VAL 933 N -3.55 5.06 -0.11 2.53 1.01 -0.19 -3.29 120.40 121.86 3bga s VAL 933 Ca 0.42 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 3bga s VAL 933 Cb -0.23 -3.99 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 3bga s VAL 933 CO 0.89 0.22 0.48 0.03 0.00 0.00 0.00 175.10 176.72 3bga h ARG 934 N 6.92 0.24 -2.56 2.72 -0.00 -0.75 -0.65 114.38 120.30 3bga h ARG 934 Ca -0.38 -0.40 -0.04 0.00 -0.50 0.00 0.00 59.98 58.65 3bga h ARG 934 Cb 1.18 0.15 -0.15 0.00 0.00 0.00 0.00 29.97 31.14 3bga h ARG 934 CO 0.76 1.19 0.18 1.67 0.00 0.00 0.00 179.97 183.77 3bga s TRP 935 N -2.49 -0.57 0.02 3.04 1.48 -1.10 -4.36 118.94 114.95 3bga s TRP 935 Ca -0.21 0.68 0.02 0.00 -1.06 0.00 0.00 56.10 55.53 3bga s TRP 935 Cb 0.05 0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 32.82 3bga s TRP 935 CO 0.75 -0.72 -0.07 0.00 -4.06 0.00 0.00 176.95 172.86 3bga s ALA 936 N -2.52 0.52 -0.01 2.67 0.00 -1.26 -0.74 121.76 120.42 3bga s ALA 936 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3bga s ALA 936 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 3bga s ALA 936 CO -0.02 0.06 -0.06 0.21 0.00 0.00 0.00 175.76 175.95 3bga s LYS 937 N -0.75 0.57 -0.07 0.00 2.20 0.24 -4.52 119.74 117.41 3bga s LYS 937 Ca -0.03 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 3bga s LYS 937 Cb -0.05 -0.56 0.02 0.00 -1.51 0.00 0.00 37.83 35.73 3bga s LYS 937 CO 0.00 0.12 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.87 3bga s LEU 938 N -0.02 1.26 0.24 5.43 2.96 -0.73 -0.53 118.68 127.28 3bga s LEU 938 Ca 0.01 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3bga s LEU 938 Cb -0.04 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 3bga s LEU 938 CO -0.00 -0.07 0.24 0.42 -1.32 0.00 0.00 176.35 175.62 3bga s THR 939 N 1.24 0.00 0.35 3.68 -4.23 -0.07 -1.09 115.64 115.52 3bga s THR 939 Ca -0.05 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3bga s THR 939 Cb -0.14 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.29 3bga s THR 939 CO -0.02 0.00 0.49 -0.90 -0.54 0.00 0.00 174.62 173.65 3bga n ASP 940 N -0.64 1.16 -0.29 3.99 5.68 0.22 -0.63 116.55 126.05 3bga n ASP 940 Ca 0.02 -1.86 0.02 0.00 -0.50 0.00 0.00 54.79 52.47 3bga n ASP 940 Cb 0.64 -0.27 0.22 0.00 -1.14 0.00 0.00 41.12 40.58 3bga n ASP 940 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 3bga h GLN 941 N 0.00 1.04 0.00 0.11 3.07 -1.90 -0.69 115.11 116.74 3bga h GLN 941 Ca -0.16 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.51 3bga h GLN 941 Cb 0.73 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3bga h GLN 941 CO 0.22 0.69 0.00 0.00 0.09 0.00 0.00 178.83 179.83 3bga n ALA 942 N -2.40 1.98 -0.80 0.06 0.00 -1.26 -4.85 120.51 113.24 3bga n ALA 942 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3bga n ALA 942 Cb 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3bga n ALA 942 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bga n GLY 943 N 0.08 0.54 3.85 0.00 0.00 -0.27 -5.05 105.19 104.35 3bga n GLY 943 Ca 0.09 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 3bga n GLY 943 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bga s GLU 944 N -1.07 3.64 0.00 1.61 2.02 -1.26 -4.09 118.70 119.55 3bga s GLU 944 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.97 3bga s GLU 944 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 3bga s GLU 944 CO 0.00 0.69 0.00 0.41 0.02 0.00 0.00 175.26 176.38 3bga n GLY 945 N 2.15 -0.81 2.94 -1.39 0.00 -0.94 -0.61 105.19 106.53 3bga n GLY 945 Ca -0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3bga n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bga s VAL 946 N -4.00 0.01 0.59 1.61 0.11 -0.25 -1.00 120.40 117.47 3bga s VAL 946 Ca 0.00 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.04 3bga s VAL 946 Cb 0.00 -0.11 0.09 0.00 -1.53 0.00 0.00 36.38 34.83 3bga s VAL 946 CO 0.00 -0.06 0.81 0.12 -3.33 0.00 0.00 175.10 172.64 3bga s PHE 947 N -0.15 1.26 0.00 1.54 5.36 0.52 -1.77 117.98 124.74 3bga s PHE 947 Ca -0.02 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 3bga s PHE 947 Cb -0.01 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 3bga s PHE 947 CO 0.00 -1.22 0.00 -0.85 -1.46 0.00 0.00 175.22 171.69 3bga n GLU 949 N -2.27 -0.40 0.00 10.12 0.28 -0.94 -0.30 120.64 127.13 3bga n GLU 949 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3bga n GLU 949 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 3bga n GLU 949 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3bga n SER 950 N 0.00 1.28 -0.75 -1.84 2.88 -1.26 -0.30 113.62 113.63 3bga n SER 950 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3bga n SER 950 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 3bga n SER 950 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3bga n ASN 951 N 0.00 2.85 -3.60 -3.46 0.23 -1.26 -4.89 115.26 105.13 3bga n ASN 951 Ca 0.00 -1.85 -0.08 0.00 -0.53 0.00 0.00 54.58 52.12 3bga n ASN 951 Cb 0.00 -0.19 -0.02 0.00 -2.08 0.00 0.00 39.78 37.49 3bga n ASN 951 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bga s ARG 952 N -1.09 1.15 0.33 -3.83 1.70 -1.26 -5.14 118.95 110.81 3bga s ARG 952 Ca 0.26 -0.53 -0.28 0.00 -0.47 0.00 0.00 55.73 54.71 3bga s ARG 952 Cb 0.15 0.46 -0.13 0.00 -0.57 0.00 0.00 34.95 34.86 3bga s ARG 952 CO 0.20 -0.52 1.17 -2.30 -1.08 0.00 0.00 175.30 172.77 3bga n PRO 953 N -0.36 1.78 -2.20 3.89 -0.02 -1.26 -4.92 135.00 131.91 3bga n PRO 953 Ca -0.09 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 3bga n PRO 953 Cb 0.62 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 3bga n PRO 953 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3bga n PHE 954 N 0.21 -0.04 -4.30 6.00 1.16 -0.25 -4.83 117.46 115.42 3bga n PHE 954 Ca 0.07 -0.24 -0.24 0.00 -1.87 0.00 0.00 57.45 55.17 3bga n PHE 954 Cb 0.35 0.02 -0.12 0.00 -1.61 0.00 0.00 39.48 38.11 3bga n PHE 954 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3bga s GLN 955 N -2.13 1.16 0.11 3.97 -0.21 -0.81 -1.02 119.66 120.73 3bga s GLN 955 Ca 0.03 -1.22 -0.16 0.00 0.02 0.00 0.00 55.36 54.03 3bga s GLN 955 Cb 0.00 -1.39 0.03 0.00 1.00 0.00 0.00 33.01 32.65 3bga s GLN 955 CO 0.02 0.32 0.39 -0.59 -2.12 0.00 0.00 175.29 173.30 3bga s PHE 956 N -1.34 -0.19 -0.05 0.91 -0.12 -1.02 -0.57 117.98 115.59 3bga s PHE 956 Ca 0.08 -0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.74 3bga s PHE 956 Cb -0.09 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.55 3bga s PHE 956 CO 0.05 -0.67 0.31 -1.54 -0.05 0.00 0.00 175.22 173.33 3bga s SER 957 N -2.66 -0.24 -0.04 1.98 1.04 -0.82 -1.38 113.70 111.57 3bga s SER 957 Ca 0.02 0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3bga s SER 957 Cb 0.02 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3bga s SER 957 CO -0.10 -0.33 0.04 -0.63 0.98 0.00 0.00 173.24 173.20 3bga s ILE 958 N -0.81 0.00 0.16 -1.02 1.01 -1.26 -1.23 121.20 118.05 3bga s ILE 958 Ca -0.09 0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.95 3bga s ILE 958 Cb -0.04 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3bga s ILE 958 CO 0.03 0.18 -0.13 0.27 0.00 0.00 0.00 174.94 175.29 3bga s ILE 959 N 1.95 1.42 -2.03 2.92 -4.36 -0.79 -4.77 121.20 115.54 3bga s ILE 959 Ca 0.03 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.51 3bga s ILE 959 Cb -0.12 -1.81 0.25 0.00 1.25 0.00 0.00 42.46 42.03 3bga s ILE 959 CO -0.03 -0.58 1.25 -0.81 0.24 0.00 0.00 174.94 175.00 3bga n PRO 960 N -0.01 1.52 -4.44 0.37 -0.04 -1.26 -0.25 135.00 130.89 3bga n PRO 960 Ca -0.11 -0.81 -0.22 0.00 -0.04 0.00 0.00 63.50 62.32 3bga n PRO 960 Cb 0.59 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 3bga n PRO 960 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3bga s PHE 961 N -1.72 1.99 0.47 0.54 0.08 -1.26 -4.52 117.98 113.56 3bga s PHE 961 Ca 0.18 -0.72 -0.10 0.00 0.12 0.00 0.00 56.93 56.41 3bga s PHE 961 Cb 0.09 -1.17 -0.06 0.00 -0.57 0.00 0.00 43.02 41.31 3bga s PHE 961 CO 0.13 0.26 0.85 -1.54 -0.10 0.00 0.00 175.22 174.82 3bga s SER 962 N -3.47 6.44 0.32 1.36 1.04 -1.26 -4.12 113.70 114.00 3bga s SER 962 Ca 0.31 1.20 0.03 0.00 0.48 0.00 0.00 55.95 57.97 3bga s SER 962 Cb 0.05 -2.36 0.54 0.00 0.10 0.00 0.00 66.02 64.34 3bga s SER 962 CO 0.13 -0.54 1.84 0.44 0.98 0.00 0.00 173.24 176.09 3bga h ASP 963 N 0.73 0.53 0.13 7.02 5.19 -1.99 -2.14 116.42 125.90 3bga h ASP 963 Ca -0.47 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 55.82 3bga h ASP 963 Cb 1.19 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.56 3bga h ASP 963 CO 0.63 0.62 -0.06 0.58 -3.12 0.00 0.00 179.24 177.89 3bga h VAL 964 N 0.53 0.94 -0.42 -1.35 2.07 -1.97 -2.31 116.25 113.75 3bga h VAL 964 Ca 0.11 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3bga h VAL 964 Cb 0.39 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3bga h VAL 964 CO 0.02 0.07 0.04 -0.07 0.02 0.00 0.00 177.57 177.64 3bga h LEU 965 N -0.31 0.69 -0.78 2.57 3.38 -1.94 -1.87 115.31 117.04 3bga h LEU 965 Ca -0.02 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3bga h LEU 965 Cb 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3bga h LEU 965 CO 0.03 0.80 0.47 0.25 0.09 0.00 0.00 178.44 180.08 3bga h LEU 966 N 0.56 0.72 0.07 1.67 5.85 -1.40 0.20 115.31 122.97 3bga h LEU 966 Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3bga h LEU 966 Cb 0.43 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3bga h LEU 966 CO 0.01 0.46 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.46 3bga h GLU 967 N 0.85 -0.09 -0.80 1.25 4.57 -1.29 -3.21 114.58 115.86 3bga h GLU 967 Ca 0.35 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3bga h GLU 967 Cb 0.19 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3bga h GLU 967 CO -0.18 0.16 0.40 -0.22 -1.18 0.00 0.00 179.01 177.99 3bga h LYS 968 N -0.34 1.13 -6.65 1.92 3.64 -0.91 -3.44 116.57 111.93 3bga h LYS 968 Ca -0.01 -0.15 -0.52 0.00 -1.27 0.00 0.00 60.65 58.70 3bga h LYS 968 Cb 0.30 -0.21 0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3bga h LYS 968 CO 0.02 0.86 0.95 0.00 -2.27 0.00 0.00 179.45 179.00 3bga s ALA 969 N -5.68 3.86 -0.09 5.00 0.00 0.65 -4.90 121.76 120.60 3bga s ALA 969 Ca -0.12 1.50 0.11 0.00 0.00 0.00 0.00 51.96 53.44 3bga s ALA 969 Cb 0.17 -3.66 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 3bga s ALA 969 CO 0.82 -0.86 0.27 0.72 0.00 0.00 0.00 175.76 176.70 3bga n HIS 970 N 3.85 0.00 -4.40 0.00 8.25 -1.26 -4.06 115.22 117.60 3bga n HIS 970 Ca 0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.39 3bga n HIS 970 Cb 0.37 -0.20 -0.13 0.00 1.12 0.00 0.00 29.99 31.14 3bga n HIS 970 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3bga s HIS 971 N -2.62 1.37 0.29 4.41 3.76 -1.26 -4.30 115.29 116.94 3bga s HIS 971 Ca -0.03 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 3bga s HIS 971 Cb 0.07 -0.81 0.61 0.00 1.11 0.00 0.00 32.58 33.56 3bga s HIS 971 CO 0.44 0.06 1.80 0.82 -0.85 0.00 0.00 174.74 177.01 3bga h ILE 972 N 4.44 0.81 0.00 0.60 2.04 -1.86 -1.39 117.51 122.15 3bga h ILE 972 Ca -0.39 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3bga h ILE 972 Cb 1.18 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3bga h ILE 972 CO 0.43 0.16 0.00 -0.46 0.00 0.00 0.00 178.15 178.28 3bga n ASN 973 N -4.71 0.00 0.16 1.72 6.94 -1.25 -1.55 115.26 116.56 3bga n ASN 973 Ca 0.20 0.43 0.12 0.00 -0.02 0.00 0.00 54.58 55.31 3bga n ASN 973 Cb 0.44 -0.46 0.21 0.00 -2.36 0.00 0.00 39.78 37.62 3bga n ASN 973 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3bga h GLU 974 N 0.00 0.00 -6.62 -3.83 5.08 -1.62 -3.45 114.58 104.14 3bga h GLU 974 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3bga h GLU 974 Cb 0.16 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.45 3bga h GLU 974 CO 0.00 0.00 0.79 -0.51 -1.00 0.00 0.00 179.01 178.29 3bga s LEU 975 N -5.42 4.38 -0.06 1.33 1.43 -0.60 -4.97 118.68 114.77 3bga s LEU 975 Ca 0.07 2.51 -0.02 0.00 -1.03 0.00 0.00 54.13 55.66 3bga s LEU 975 Cb 0.09 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.74 3bga s LEU 975 CO 0.67 -0.72 0.12 -0.70 0.23 0.00 0.00 176.35 175.95 3bga s GLU 976 N 0.75 0.07 0.32 1.70 2.56 -1.26 -5.10 118.70 117.74 3bga s GLU 976 Ca 0.65 0.34 -0.26 0.00 0.00 0.00 0.00 54.97 55.70 3bga s GLU 976 Cb -0.41 -0.19 -0.10 0.00 2.00 0.00 0.00 34.13 35.43 3bga s GLU 976 CO 0.34 -0.17 0.95 1.03 -0.56 0.00 0.00 175.26 176.84 3bga s ARG 977 N 1.16 4.58 -0.12 4.30 0.52 -1.26 -4.78 118.95 123.35 3bga s ARG 977 Ca -0.09 1.33 0.15 0.00 -0.52 0.00 0.00 55.73 56.60 3bga s ARG 977 Cb -0.12 -2.79 0.34 0.00 0.52 0.00 0.00 34.95 32.90 3bga s ARG 977 CO -0.05 0.27 1.24 -0.40 0.02 0.00 0.00 175.30 176.37 3bga n ASP 978 N 0.54 2.89 -0.37 0.23 5.68 -1.26 -5.13 116.55 119.13 3bga n ASP 978 Ca 0.02 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.48 3bga n ASP 978 Cb 0.50 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3bga n ASP 978 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bga n GLY 979 N -0.82 0.94 3.16 6.12 0.00 -1.26 -5.05 105.19 108.29 3bga n GLY 979 Ca 0.15 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 3bga n GLY 979 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bga s ILE 981 N -2.69 0.11 -0.21 -0.61 -4.36 -1.26 -0.50 121.20 111.68 3bga s ILE 981 Ca 0.00 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.44 3bga s ILE 981 Cb 0.00 -0.85 -0.02 0.00 1.25 0.00 0.00 42.46 42.84 3bga s ILE 981 CO 0.00 -0.50 -0.03 -0.89 0.24 0.00 0.00 174.94 173.77 3bga s THR 982 N -2.43 3.65 -0.11 8.37 2.01 0.65 -4.36 115.64 123.41 3bga s THR 982 Ca -0.06 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 3bga s THR 982 Cb -0.02 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3bga s THR 982 CO -0.03 0.43 0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 3bga s ILE 983 N 1.18 4.65 -0.09 1.82 -1.09 0.19 -1.89 121.20 125.98 3bga s ILE 983 Ca 0.03 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3bga s ILE 983 Cb -0.14 -3.00 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 3bga s ILE 983 CO 0.00 0.58 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.24 3bga s HIS 984 N -0.66 1.16 -0.28 3.97 3.76 -0.37 -2.12 115.29 120.76 3bga s HIS 984 Ca 0.11 -0.49 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 3bga s HIS 984 Cb -0.12 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.57 3bga s HIS 984 CO 0.02 -0.40 0.01 -0.51 -0.85 0.00 0.00 174.74 173.01 3bga s LEU 985 N 1.60 3.67 -0.15 0.89 1.43 -0.28 -1.95 118.68 123.89 3bga s LEU 985 Ca 0.01 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 3bga s LEU 985 Cb -0.13 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3bga s LEU 985 CO -0.05 -0.20 -0.10 -1.81 0.23 0.00 0.00 176.35 174.41 3bga s ASP 986 N 1.35 4.17 0.09 2.29 1.01 0.26 0.04 116.67 125.88 3bga s ASP 986 Ca -0.01 -0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.00 3bga s ASP 986 Cb -0.18 -1.66 -0.22 0.00 1.01 0.00 0.00 42.92 41.87 3bga s ASP 986 CO -0.01 0.13 1.16 0.00 0.21 0.00 0.00 175.17 176.66 3bga h ALA 987 N 6.97 0.38 -2.73 5.23 0.00 -1.24 -2.16 119.26 125.71 3bga h ALA 987 Ca -0.30 -1.00 -0.14 0.00 0.00 0.00 0.00 54.91 53.48 3bga h ALA 987 Cb 1.20 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 3bga h ALA 987 CO 0.58 1.26 -0.49 -1.21 0.00 0.00 0.00 179.25 179.39 3bga s GLU 988 N -2.68 0.51 -0.28 0.00 0.41 -0.87 -4.84 118.70 110.94 3bga s GLU 988 Ca -0.01 -0.45 -0.18 0.00 -0.41 0.00 0.00 54.97 53.92 3bga s GLU 988 Cb 0.09 0.21 0.10 0.00 -1.78 0.00 0.00 34.13 32.75 3bga s GLU 988 CO 0.83 -0.12 0.82 -1.14 -0.49 0.00 0.00 175.26 175.16 3bga s GLN 989 N -1.56 0.60 0.78 1.61 0.74 -1.26 -1.39 119.66 119.18 3bga s GLN 989 Ca -0.13 0.95 -0.12 0.00 0.05 0.00 0.00 55.36 56.10 3bga s GLN 989 Cb -0.07 0.17 0.07 0.00 1.10 0.00 0.00 33.01 34.28 3bga s GLN 989 CO 0.01 -0.11 1.12 0.00 -0.55 0.00 0.00 175.29 175.76 3bga s ALA 990 N 1.20 2.07 1.04 1.58 0.00 -0.53 -4.74 121.76 122.40 3bga s ALA 990 Ca -0.07 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 3bga s ALA 990 Cb -0.05 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3bga s ALA 990 CO -0.14 -1.95 0.34 0.41 0.00 0.00 0.00 175.76 174.42 3bga n GLY 991 N -0.52 -2.03 0.00 0.00 0.00 -0.93 -4.71 105.19 97.01 3bga n GLY 991 Ca 0.11 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.62 3bga n GLY 991 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bga n VAL 992 N -2.92 0.00 -3.38 1.61 0.24 -1.26 -4.94 118.33 107.67 3bga n VAL 992 Ca 0.05 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3bga n VAL 992 Cb 0.17 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3bga n VAL 992 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bga n GLY 993 N 1.96 0.96 2.67 7.63 0.00 -1.26 -4.50 105.19 112.65 3bga n GLY 993 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 3bga n GLY 993 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bga n THR 994 N 0.00 0.71 0.27 2.61 -2.24 -0.54 -1.57 114.28 113.51 3bga n THR 994 Ca 0.00 -2.04 0.17 0.00 -2.27 0.00 0.00 64.05 59.91 3bga n THR 994 Cb 0.00 1.16 0.90 0.00 -2.10 0.00 0.00 70.33 70.29 3bga n THR 994 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bga h ALA 995 N 1.87 1.00 -0.29 6.98 0.00 -1.61 -2.53 119.26 124.67 3bga h ALA 995 Ca -0.27 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.72 3bga h ALA 995 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3bga h ALA 995 CO 0.02 0.00 0.27 1.79 0.00 0.00 0.00 179.25 181.33 3bga h THR 996 N 0.00 0.58 -0.54 0.00 1.35 -1.83 -3.38 112.91 109.08 3bga h THR 996 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 3bga h THR 996 Cb 0.05 0.80 -0.20 0.00 -1.73 0.00 0.00 68.15 67.07 3bga h THR 996 CO 0.00 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.16 3bga n GLY 998 N 5.29 0.05 3.68 0.00 0.00 -1.23 -4.28 105.19 108.69 3bga n GLY 998 Ca 0.04 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 3bga n GLY 998 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bga n PRO 999 N 0.00 2.12 -0.46 1.61 -0.02 -1.26 -4.29 135.00 132.69 3bga n PRO 999 Ca 0.00 0.75 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 3bga n PRO 999 Cb 0.00 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.09 3bga n PRO 999 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bga n GLY 1000N 1.89 -0.32 3.75 -1.23 0.00 -1.26 -1.46 105.19 106.55 3bga n GLY 1000Ca 0.10 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3bga n GLY 1000CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bga s VAL 1001N -0.76 2.03 0.67 1.61 1.01 -1.26 -4.48 120.40 119.21 3bga s VAL 1001Ca 0.07 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3bga s VAL 1001Cb -0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3bga s VAL 1001CO 0.05 0.00 1.15 -0.76 0.00 0.00 0.00 175.10 175.54 3bga s LEU 1002N -0.28 3.40 0.19 3.92 1.43 -1.26 -4.88 118.68 121.21 3bga s LEU 1002Ca 0.65 2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 3bga s LEU 1002Cb -0.48 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.31 3bga s LEU 1002CO 0.46 -1.80 1.60 -0.65 0.23 0.00 0.00 176.35 176.20 3bga h PRO 1003N 0.05 -0.13 0.00 1.29 0.11 -1.98 -0.50 132.00 130.85 3bga h PRO 1003Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bga h PRO 1003Cb 1.26 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3bga h PRO 1003CO 0.53 -0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 3bga n GLN 1004N -5.43 0.04 -0.03 1.05 0.00 -1.26 -2.03 117.38 109.71 3bga n GLN 1004Ca 0.04 0.22 0.01 0.00 0.00 0.00 0.00 57.00 57.28 3bga n GLN 1004Cb 0.34 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.11 3bga n GLN 1004CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3bga n TYR 1005N -1.24 0.09 -3.15 2.61 4.01 -0.20 -5.01 117.16 114.26 3bga n TYR 1005Ca 0.01 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.90 57.08 3bga n TYR 1005Cb 0.01 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 3bga n TYR 1005CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3bga s LEU 1006N -0.77 4.08 0.00 7.72 1.43 -0.86 -2.18 118.68 128.10 3bga s LEU 1006Ca 0.05 1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 3bga s LEU 1006Cb 0.03 -4.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 3bga s LEU 1006CO 0.04 -0.19 1.31 -0.69 0.23 0.00 0.00 176.35 177.05 3bga s VAL 1007N -1.95 3.89 0.17 -1.59 1.01 -1.26 -4.93 120.40 115.72 3bga s VAL 1007Ca 0.53 1.28 -0.32 0.00 0.00 0.00 0.00 61.98 63.48 3bga s VAL 1007Cb -0.11 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3bga s VAL 1007CO 0.18 0.02 1.57 -2.84 0.00 0.00 0.00 175.10 174.03 3bga s PRO 1008N 2.01 4.22 -1.24 2.72 0.02 -1.26 -4.89 135.00 136.57 3bga s PRO 1008Ca 0.61 2.36 -0.10 0.00 0.02 0.00 0.00 61.00 63.89 3bga s PRO 1008Cb -0.30 -3.15 0.18 0.00 0.02 0.00 0.00 34.50 31.25 3bga s PRO 1008CO 0.26 -0.60 1.72 0.28 -0.33 0.00 0.00 177.00 178.33 3bga n VAL 1009N 3.94 4.41 -4.10 3.83 0.31 -1.26 -4.91 118.33 120.55 3bga n VAL 1009Ca 0.14 -4.62 -0.15 0.00 -0.01 0.00 0.00 64.34 59.69 3bga n VAL 1009Cb 0.38 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 30.91 3bga n VAL 1009CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3bga s LYS 1010N 0.37 1.94 0.23 5.55 -2.85 -1.26 -4.92 119.74 118.79 3bga s LYS 1010Ca 0.39 -1.80 -0.30 0.00 -1.00 0.00 0.00 55.97 53.27 3bga s LYS 1010Cb 0.06 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 36.18 3bga s LYS 1010CO 0.01 -0.80 1.32 0.21 0.10 0.00 0.00 175.35 176.19 3bga s LYS 1011N -3.01 4.38 -0.10 1.78 2.20 -1.26 -4.45 119.74 119.28 3bga s LYS 1011Ca 0.31 2.11 -0.22 0.00 -0.36 0.00 0.00 55.97 57.81 3bga s LYS 1011Cb -0.00 -3.16 0.05 0.00 -1.51 0.00 0.00 37.83 33.21 3bga s LYS 1011CO 0.21 -0.25 0.52 -1.14 -0.36 0.00 0.00 175.35 174.34 3bga s GLN 1012N -0.48 0.79 0.15 4.03 0.74 -0.24 -4.99 119.66 119.66 3bga s GLN 1012Ca 0.55 0.32 0.11 0.00 0.05 0.00 0.00 55.36 56.39 3bga s GLN 1012Cb -0.38 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 3bga s GLN 1012CO 0.41 -0.19 -0.25 -1.12 -0.55 0.00 0.00 175.29 173.60 3bga s SER 1013N -0.67 3.23 0.09 6.67 0.01 -1.26 -0.28 113.70 121.49 3bga s SER 1013Ca -0.08 -0.79 -0.26 0.00 1.31 0.00 0.00 55.95 56.14 3bga s SER 1013Cb -0.03 -0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.07 3bga s SER 1013CO 0.05 0.13 0.72 0.72 0.41 0.00 0.00 173.24 175.27 3bga s PHE 1014N -1.35 -0.46 0.03 2.43 -0.12 0.14 -4.99 117.98 113.66 3bga s PHE 1014Ca 0.16 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 3bga s PHE 1014Cb -0.09 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 3bga s PHE 1014CO 0.07 -0.72 -0.04 -1.83 -0.05 0.00 0.00 175.22 172.66 3bga s GLU 1015N -3.43 0.43 -0.01 1.99 -1.05 -1.26 -0.91 118.70 114.47 3bga s GLU 1015Ca 0.02 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 3bga s GLU 1015Cb -0.01 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 3bga s GLU 1015CO -0.11 -0.05 -0.01 -0.06 0.95 0.00 0.00 175.26 175.99 3bga s PHE 1016N -2.10 0.14 -0.12 4.83 0.08 -0.63 -4.17 117.98 116.01 3bga s PHE 1016Ca -0.09 0.00 0.02 0.00 0.12 0.00 0.00 56.93 56.99 3bga s PHE 1016Cb -0.05 -0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.23 3bga s PHE 1016CO -0.03 -0.04 -0.19 0.99 -0.10 0.00 0.00 175.22 175.85 3bga s THR 1017N 0.31 2.47 -0.22 0.64 2.01 0.59 0.23 115.64 121.67 3bga s THR 1017Ca -0.03 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3bga s THR 1017Cb -0.05 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3bga s THR 1017CO -0.01 0.54 0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 3bga s LEU 1018N 0.45 3.37 -0.33 4.42 1.43 0.55 -2.22 118.68 126.34 3bga s LEU 1018Ca -0.13 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3bga s LEU 1018Cb -0.17 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.22 3bga s LEU 1018CO 0.06 0.03 0.10 -0.31 0.23 0.00 0.00 176.35 176.45 3bga s TYR 1019N 1.23 3.25 0.29 0.29 2.02 0.59 -0.82 117.35 124.19 3bga s TYR 1019Ca 0.04 -1.42 -0.29 0.00 -0.37 0.00 0.00 57.07 55.02 3bga s TYR 1019Cb -0.15 -2.27 -0.10 0.00 -0.40 0.00 0.00 41.96 39.05 3bga s TYR 1019CO 0.02 -0.73 1.39 -2.14 -1.57 0.00 0.00 175.55 172.53 3bga s PRO 1020N 1.40 4.29 0.19 -1.71 0.02 -1.26 -0.36 135.00 137.57 3bga s PRO 1020Ca -0.02 2.28 0.11 0.00 0.02 0.00 0.00 61.00 63.39 3bga s PRO 1020Cb -0.19 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3bga s PRO 1020CO 0.03 -0.34 -0.22 0.14 -0.33 0.00 0.00 177.00 176.28 3bga s VAL 1021N -0.53 2.20 0.00 3.83 -7.23 -0.17 -4.38 120.40 114.11 3bga s VAL 1021Ca 0.55 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3bga s VAL 1021Cb -0.41 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3bga s VAL 1021CO 0.48 -0.19 0.00 1.17 -0.31 0.00 0.00 175.10 176.26