#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a99 s LYS 30 N 0.00 4.36 0.17 3.69 1.02 -1.26 -5.00 119.74 122.71 1a99 s LYS 30 Ca 0.00 0.93 0.05 0.00 0.02 0.00 0.00 55.97 56.97 1a99 s LYS 30 Cb 0.00 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1a99 s LYS 30 CO 0.00 0.57 -0.11 0.99 -0.92 0.00 0.00 175.35 175.88 1a99 s THR 31 N -1.20 1.34 -0.09 2.17 2.01 -1.26 -0.93 115.64 117.68 1a99 s THR 31 Ca 0.34 -2.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.18 1a99 s THR 31 Cb -0.20 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.42 1a99 s THR 31 CO 0.22 -0.69 0.21 -0.22 -0.69 0.00 0.00 174.62 173.46 1a99 s LEU 32 N -3.22 0.64 -0.24 4.42 0.20 -0.35 -4.78 118.68 115.36 1a99 s LEU 32 Ca 0.19 0.45 -0.03 0.00 0.69 0.00 0.00 54.13 55.43 1a99 s LEU 32 Cb 0.02 0.64 0.01 0.00 -0.43 0.00 0.00 46.19 46.43 1a99 s LEU 32 CO 0.03 -0.14 -0.05 -1.00 -0.29 0.00 0.00 176.35 174.89 1a99 s HIS 33 N 1.02 3.01 -0.04 5.38 3.76 -1.26 0.27 115.29 127.43 1a99 s HIS 33 Ca -0.07 -1.28 0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1a99 s HIS 33 Cb -0.09 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1a99 s HIS 33 CO -0.06 -0.66 -0.21 0.42 -0.85 0.00 0.00 174.74 173.38 1a99 s ILE 34 N 1.39 2.48 -0.23 0.60 1.01 0.58 -0.84 121.20 126.19 1a99 s ILE 34 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1a99 s ILE 34 Cb -0.15 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.45 1a99 s ILE 34 CO -0.04 0.58 -0.13 -0.47 0.00 0.00 0.00 174.94 174.88 1a99 s TYR 35 N -0.62 2.95 0.09 3.97 5.04 -0.09 -0.57 117.35 128.12 1a99 s TYR 35 Ca 0.10 -2.00 -0.01 0.00 -2.44 0.00 0.00 57.07 52.72 1a99 s TYR 35 Cb -0.11 -1.85 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 1a99 s TYR 35 CO -0.00 -0.83 0.02 1.21 -1.34 0.00 0.00 175.55 174.60 1a99 s ASN 36 N 1.22 0.40 0.65 4.32 3.04 -0.25 -2.15 114.94 122.17 1a99 s ASN 36 Ca -0.04 -1.11 -0.18 0.00 0.04 0.00 0.00 52.86 51.57 1a99 s ASN 36 Cb -0.18 0.25 -0.01 0.00 -1.54 0.00 0.00 41.25 39.78 1a99 s ASN 36 CO -0.08 -0.67 1.29 0.26 -3.04 0.00 0.00 177.10 174.87 1a99 s TRP 37 N -3.99 2.07 0.67 0.43 0.52 -1.26 -1.59 118.94 115.79 1a99 s TRP 37 Ca 0.16 1.49 -0.13 0.00 0.02 0.00 0.00 56.10 57.64 1a99 s TRP 37 Cb 0.08 -3.69 -0.00 0.00 -1.15 0.00 0.00 33.47 28.70 1a99 s TRP 37 CO -0.04 -2.93 1.07 -1.54 0.02 0.00 0.00 176.95 173.54 1a99 s SER 38 N -1.42 5.36 -1.50 2.95 1.04 -0.52 -3.59 113.70 116.03 1a99 s SER 38 Ca 0.82 1.76 -0.09 0.00 0.48 0.00 0.00 55.95 58.93 1a99 s SER 38 Cb -0.37 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.29 1a99 s SER 38 CO 0.40 -1.45 0.75 0.47 0.98 0.00 0.00 173.24 174.39 1a99 n ASP 39 N -2.71 -2.70 -0.93 7.02 8.00 -1.26 -4.88 116.55 119.10 1a99 n ASP 39 Ca 0.09 -0.89 0.04 0.00 0.71 0.00 0.00 54.79 54.74 1a99 n ASP 39 Cb 0.53 -3.47 0.08 0.00 -0.02 0.00 0.00 41.12 38.24 1a99 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a99 n TYR 40 N -4.47 0.00 -3.47 1.24 9.36 -1.24 -4.96 117.16 113.63 1a99 n TYR 40 Ca -0.10 -0.70 -0.12 0.00 3.32 0.00 0.00 57.90 60.30 1a99 n TYR 40 Cb 0.59 -0.15 -0.03 0.00 -0.63 0.00 0.00 39.34 39.12 1a99 n TYR 40 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1a99 s ILE 41 N -1.11 0.01 0.46 2.97 2.07 -1.26 -4.97 121.20 119.37 1a99 s ILE 41 Ca 0.28 -0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 59.18 1a99 s ILE 41 Cb 0.30 -1.04 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 1a99 s ILE 41 CO -0.09 -0.07 1.01 0.00 -1.91 0.00 0.00 174.94 173.89 1a99 s ALA 42 N -3.76 2.95 0.57 1.50 0.00 -1.26 -4.81 121.76 116.95 1a99 s ALA 42 Ca 0.01 0.56 0.28 0.00 0.00 0.00 0.00 51.96 52.81 1a99 s ALA 42 Cb -0.00 -3.22 1.52 0.00 0.00 0.00 0.00 23.12 21.41 1a99 s ALA 42 CO -0.13 -0.16 2.00 -1.35 0.00 0.00 0.00 175.76 176.12 1a99 h PRO 43 N 1.80 0.00 -0.01 0.00 0.11 -1.97 -2.58 132.00 129.35 1a99 h PRO 43 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a99 h PRO 43 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1a99 h PRO 43 CO 0.60 0.00 -0.18 -0.40 -0.21 0.00 0.00 178.00 177.81 1a99 n ASP 44 N -3.93 1.07 -0.25 -2.05 5.75 -1.26 -4.74 116.55 111.14 1a99 n ASP 44 Ca 0.06 -1.04 0.06 0.00 -0.01 0.00 0.00 54.79 53.86 1a99 n ASP 44 Cb 0.52 0.49 0.19 0.00 -1.03 0.00 0.00 41.12 41.28 1a99 n ASP 44 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1a99 h THR 45 N 0.90 0.55 -0.09 2.12 2.02 -1.85 -0.34 112.91 116.23 1a99 h THR 45 Ca 0.00 -0.11 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 1a99 h THR 45 Cb 0.28 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1a99 h THR 45 CO 0.00 0.06 -0.55 0.58 0.37 0.00 0.00 175.52 175.98 1a99 h VAL 46 N 0.32 1.37 -0.37 3.16 2.07 -1.85 -2.25 116.25 118.68 1a99 h VAL 46 Ca 0.42 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 66.10 1a99 h VAL 46 Cb 0.70 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1a99 h VAL 46 CO -0.48 0.57 0.13 0.00 0.02 0.00 0.00 177.57 177.81 1a99 h ALA 47 N 0.46 0.44 -0.10 1.67 0.00 -1.76 0.34 119.26 120.30 1a99 h ALA 47 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a99 h ALA 47 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a99 h ALA 47 CO 0.11 -0.26 0.06 -0.91 0.00 0.00 0.00 179.25 178.26 1a99 h ASN 48 N 0.29 0.12 -0.72 0.00 2.35 -1.11 -0.97 115.58 115.54 1a99 h ASN 48 Ca 0.17 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1a99 h ASN 48 Cb 0.15 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1a99 h ASN 48 CO -0.17 0.10 0.47 0.15 -1.65 0.00 0.00 177.43 176.33 1a99 h PHE 49 N 0.12 0.80 -0.32 1.19 3.57 -1.04 -0.78 116.94 120.49 1a99 h PHE 49 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1a99 h PHE 49 Cb 0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1a99 h PHE 49 CO -0.07 0.44 -0.17 0.93 -2.23 0.00 0.00 178.31 177.22 1a99 h GLU 50 N 0.81 0.68 -0.18 1.11 5.08 -0.27 -1.92 114.58 119.89 1a99 h GLU 50 Ca 0.30 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1a99 h GLU 50 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1a99 h GLU 50 CO -0.09 0.90 0.09 0.87 -1.00 0.00 0.00 179.01 179.78 1a99 h LYS 51 N 0.44 0.26 -0.02 2.33 1.57 -0.60 0.90 116.57 121.45 1a99 h LYS 51 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1a99 h LYS 51 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1a99 h LYS 51 CO 0.05 0.29 -0.22 0.93 -0.57 0.00 0.00 179.45 179.92 1a99 h GLU 52 N 0.17 0.03 0.00 3.15 5.08 -1.17 -3.34 114.58 118.51 1a99 h GLU 52 Ca 0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1a99 h GLU 52 Cb 0.11 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1a99 h GLU 52 CO -0.01 0.25 -1.33 0.25 -1.00 0.00 0.00 179.01 177.17 1a99 n THR 53 N -4.26 0.08 -0.98 1.13 -2.24 -0.72 -5.00 114.28 102.28 1a99 n THR 53 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1a99 n THR 53 Cb 0.29 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1a99 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a99 n GLY 54 N 2.21 0.67 3.73 3.38 0.00 0.31 -5.00 105.19 110.49 1a99 n GLY 54 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1a99 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 55 N -2.79 4.90 -0.11 -0.61 1.01 -1.25 -4.67 121.20 117.68 1a99 s ILE 55 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 60.65 61.98 1a99 s ILE 55 Cb 0.00 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1a99 s ILE 55 CO 0.00 0.28 0.87 -0.75 0.00 0.00 0.00 174.94 175.35 1a99 s LYS 56 N 0.49 4.40 -0.16 2.79 2.36 -0.11 -4.47 119.74 125.04 1a99 s LYS 56 Ca 0.40 1.14 -0.03 0.00 -2.55 0.00 0.00 55.97 54.93 1a99 s LYS 56 Cb -0.19 -3.52 -0.03 0.00 -1.05 0.00 0.00 37.83 33.04 1a99 s LYS 56 CO 0.21 -0.20 -0.05 0.08 1.55 0.00 0.00 175.35 176.95 1a99 s VAL 57 N 1.66 3.78 -0.32 4.02 1.01 -1.26 -1.21 120.40 128.08 1a99 s VAL 57 Ca 0.43 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1a99 s VAL 57 Cb -0.18 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1a99 s VAL 57 CO 0.17 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.20 1a99 s VAL 58 N 0.44 4.13 -0.23 2.92 1.01 0.14 -4.96 120.40 123.86 1a99 s VAL 58 Ca -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1a99 s VAL 58 Cb -0.14 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1a99 s VAL 58 CO 0.03 -0.05 -0.04 -0.47 0.00 0.00 0.00 175.10 174.57 1a99 s TYR 59 N 1.50 2.98 0.12 5.22 5.04 -1.26 -0.31 117.35 130.64 1a99 s TYR 59 Ca 0.02 -1.05 0.11 0.00 -2.44 0.00 0.00 57.07 53.71 1a99 s TYR 59 Cb -0.18 -2.11 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 1a99 s TYR 59 CO 0.04 -0.58 -0.27 -0.51 -1.34 0.00 0.00 175.55 172.89 1a99 s ASP 60 N 1.45 3.27 0.24 4.32 1.01 0.27 -4.99 116.67 122.24 1a99 s ASP 60 Ca 0.05 -0.72 0.11 0.00 0.71 0.00 0.00 52.55 52.69 1a99 s ASP 60 Cb -0.15 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.51 1a99 s ASP 60 CO -0.03 0.19 -0.20 0.68 0.21 0.00 0.00 175.17 176.02 1a99 s VAL 61 N -1.02 2.29 0.21 -1.27 -7.23 -1.25 -1.09 120.40 111.04 1a99 s VAL 61 Ca 0.13 -2.25 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1a99 s VAL 61 Cb -0.10 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1a99 s VAL 61 CO 0.05 -0.35 0.19 0.72 -0.31 0.00 0.00 175.10 175.40 1a99 s PHE 62 N -2.33 1.04 -0.01 2.82 -0.12 -0.62 -4.87 117.98 113.88 1a99 s PHE 62 Ca 0.25 -1.28 0.14 0.00 -0.05 0.00 0.00 56.93 56.00 1a99 s PHE 62 Cb -0.05 -0.44 0.24 0.00 -0.63 0.00 0.00 43.02 42.14 1a99 s PHE 62 CO 0.12 -0.71 1.10 -0.40 -0.05 0.00 0.00 175.22 175.28 1a99 n ASP 63 N -0.32 0.66 -3.70 1.98 5.75 -1.26 -1.44 116.55 118.21 1a99 n ASP 63 Ca 0.02 -2.13 -0.12 0.00 -0.01 0.00 0.00 54.79 52.55 1a99 n ASP 63 Cb 0.65 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 40.35 1a99 n ASP 63 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a99 s SER 64 N -1.66 -0.25 0.38 -1.12 0.15 -1.26 -4.75 113.70 105.19 1a99 s SER 64 Ca 0.20 0.71 0.07 0.00 0.70 0.00 0.00 55.95 57.62 1a99 s SER 64 Cb 0.22 0.67 0.76 0.00 -1.71 0.00 0.00 66.02 65.96 1a99 s SER 64 CO -0.08 -0.19 1.96 0.78 1.20 0.00 0.00 173.24 176.90 1a99 h ASN 65 N 7.45 0.40 -0.38 5.45 2.35 -1.97 -2.73 115.58 126.14 1a99 h ASN 65 Ca -0.33 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 1a99 h ASN 65 Cb 1.15 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1a99 h ASN 65 CO 0.28 0.42 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.13 1a99 h GLU 66 N 0.44 0.69 -0.72 0.81 3.07 -1.96 -0.49 114.58 116.42 1a99 h GLU 66 Ca 0.10 -0.23 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1a99 h GLU 66 Cb 0.18 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1a99 h GLU 66 CO -0.00 0.80 0.47 0.28 -1.40 0.00 0.00 179.01 179.15 1a99 h VAL 67 N 0.51 1.19 0.18 3.13 2.07 -1.91 -0.58 116.25 120.83 1a99 h VAL 67 Ca 0.11 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1a99 h VAL 67 Cb 0.50 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1a99 h VAL 67 CO 0.02 0.18 -0.09 0.25 0.02 0.00 0.00 177.57 177.96 1a99 h LEU 68 N 0.97 -0.21 -0.87 2.57 7.12 -1.35 -2.51 115.31 121.03 1a99 h LEU 68 Ca 0.26 -0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.29 1a99 h LEU 68 Cb -0.10 0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.00 1a99 h LEU 68 CO -0.06 -0.02 0.49 -0.08 -0.13 0.00 0.00 178.44 178.64 1a99 h GLU 69 N -0.39 0.73 0.07 1.25 4.81 -0.85 -0.70 114.58 119.50 1a99 h GLU 69 Ca -0.03 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1a99 h GLU 69 Cb 0.30 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1a99 h GLU 69 CO 0.04 0.48 -0.16 0.78 -0.73 0.00 0.00 179.01 179.42 1a99 h GLY 70 N 0.75 -0.27 1.18 1.92 0.00 -0.91 -0.36 103.07 105.38 1a99 h GLY 70 Ca 0.45 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 1a99 h GLY 70 CO -0.30 -0.16 0.40 0.50 0.00 0.00 0.00 176.54 176.98 1a99 h LYS 71 N -0.31 1.07 -0.42 4.80 1.57 -0.91 -1.20 116.57 121.17 1a99 h LYS 71 Ca 0.03 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1a99 h LYS 71 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1a99 h LYS 71 CO -0.11 0.80 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.37 1a99 h LEU 72 N 1.07 0.85 -0.69 2.94 3.38 -0.81 -2.58 115.31 119.46 1a99 h LEU 72 Ca 0.27 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1a99 h LEU 72 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1a99 h LEU 72 CO -0.04 1.03 -0.16 0.24 0.09 0.00 0.00 178.44 179.60 1a99 h MET 73 N 0.66 0.85 0.00 1.13 2.86 -0.88 -2.37 114.93 117.17 1a99 h MET 73 Ca 0.10 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1a99 h MET 73 Cb 0.67 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1a99 h MET 73 CO 0.05 0.95 -0.00 0.00 1.06 0.00 0.00 176.91 178.96 1a99 h ALA 74 N 1.07 1.00 -0.23 6.32 0.00 -1.11 -3.48 119.26 122.83 1a99 h ALA 74 Ca 0.11 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1a99 h ALA 74 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1a99 h ALA 74 CO 0.05 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.65 1a99 n GLY 75 N -0.70 -1.99 4.11 0.00 0.00 -0.89 -4.97 105.19 100.74 1a99 n GLY 75 Ca -0.02 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1a99 n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a99 n SER 76 N -2.62 -2.31 0.02 1.61 7.64 -1.26 -4.86 113.62 111.83 1a99 n SER 76 Ca -0.00 -1.24 -0.02 0.00 1.01 0.00 0.00 58.87 58.61 1a99 n SER 76 Cb 0.05 -1.93 0.23 0.00 -1.01 0.00 0.00 64.21 61.54 1a99 n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1a99 h THR 77 N -2.24 1.25 0.00 0.44 1.35 -1.93 -3.47 112.91 108.31 1a99 h THR 77 Ca -0.69 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1a99 h THR 77 Cb 1.40 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1a99 h THR 77 CO 0.58 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 1a99 n GLY 78 N -0.50 0.56 3.63 5.82 0.00 -1.26 -5.06 105.19 108.38 1a99 n GLY 78 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1a99 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a99 s PHE 79 N -2.00 2.90 -0.16 1.61 0.08 -1.26 -4.82 117.98 114.33 1a99 s PHE 79 Ca 0.00 -0.06 0.18 0.00 0.12 0.00 0.00 56.93 57.18 1a99 s PHE 79 Cb 0.00 -1.54 -0.26 0.00 -0.57 0.00 0.00 43.02 40.65 1a99 s PHE 79 CO 0.00 0.43 0.21 -0.25 -0.10 0.00 0.00 175.22 175.51 1a99 n ASP 80 N 0.99 0.10 -3.84 1.36 8.00 -0.02 -4.48 116.55 118.68 1a99 n ASP 80 Ca -0.13 0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 1a99 n ASP 80 Cb 0.52 1.04 -0.13 0.00 -0.02 0.00 0.00 41.12 42.53 1a99 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a99 s LEU 81 N -5.39 1.60 0.06 0.64 1.43 -1.06 -4.06 118.68 111.90 1a99 s LEU 81 Ca -0.09 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1a99 s LEU 81 Cb 0.08 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 1a99 s LEU 81 CO 0.84 -0.04 -0.05 0.68 0.23 0.00 0.00 176.35 178.02 1a99 s VAL 82 N 0.07 0.40 -0.67 -1.59 -7.23 -0.74 -0.91 120.40 109.74 1a99 s VAL 82 Ca -0.00 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1a99 s VAL 82 Cb -0.01 -1.23 0.19 0.00 0.56 0.00 0.00 36.38 35.90 1a99 s VAL 82 CO 0.00 -0.79 0.57 0.52 -0.31 0.00 0.00 175.10 175.09 1a99 n VAL 83 N 0.51 1.68 -2.29 1.32 0.31 -0.91 -1.38 118.33 117.57 1a99 n VAL 83 Ca -0.16 -4.90 -0.29 0.00 -0.01 0.00 0.00 64.34 58.98 1a99 n VAL 83 Cb 0.59 -2.13 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1a99 n VAL 83 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a99 s PRO 84 N -1.70 3.50 0.61 5.55 0.04 -1.16 -4.68 135.00 137.16 1a99 s PRO 84 Ca 0.30 0.42 -0.15 0.00 0.04 0.00 0.00 61.00 61.61 1a99 s PRO 84 Cb 0.02 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1a99 s PRO 84 CO -0.12 -0.41 1.05 -1.12 0.04 0.00 0.00 177.00 176.44 1a99 s SER 85 N -4.16 5.77 0.37 6.66 0.01 -1.26 -1.67 113.70 119.43 1a99 s SER 85 Ca 0.51 1.76 0.04 0.00 1.31 0.00 0.00 55.95 59.57 1a99 s SER 85 Cb -0.11 -2.52 0.72 0.00 0.21 0.00 0.00 66.02 64.32 1a99 s SER 85 CO 0.49 -1.17 2.02 0.00 0.41 0.00 0.00 173.24 174.99 1a99 h ALA 86 N 0.26 1.61 -0.52 1.44 0.00 -1.21 -1.48 119.26 119.36 1a99 h ALA 86 Ca -0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1a99 h ALA 86 Cb 1.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1a99 h ALA 86 CO 0.58 0.35 0.06 0.66 0.00 0.00 0.00 179.25 180.90 1a99 h SER 87 N 0.75 0.79 1.39 0.00 4.64 -1.88 -1.71 113.55 117.53 1a99 h SER 87 Ca 0.21 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1a99 h SER 87 Cb -0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1a99 h SER 87 CO -0.05 0.82 -0.30 -0.26 -0.87 0.00 0.00 176.83 176.17 1a99 h PHE 88 N 0.79 0.00 -0.12 4.77 -1.00 -1.80 -3.16 116.94 116.42 1a99 h PHE 88 Ca 0.16 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 1a99 h PHE 88 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1a99 h PHE 88 CO 0.02 0.30 0.05 1.25 -1.61 0.00 0.00 178.31 178.32 1a99 h LEU 89 N 0.00 0.16 -0.76 1.54 7.12 -0.53 -1.67 115.31 121.17 1a99 h LEU 89 Ca -0.00 -0.17 0.14 0.00 0.13 0.00 0.00 57.88 57.98 1a99 h LEU 89 Cb 1.08 -0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 41.08 1a99 h LEU 89 CO 0.04 0.29 0.33 -0.08 -0.13 0.00 0.00 178.44 178.88 1a99 h GLU 90 N 0.03 0.47 -0.09 1.25 4.81 -1.30 0.44 114.58 120.19 1a99 h GLU 90 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1a99 h GLU 90 Cb 0.18 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1a99 h GLU 90 CO -0.00 0.31 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.49 1a99 h ARG 91 N 0.49 0.17 0.00 1.92 2.43 -1.58 -3.12 114.38 114.68 1a99 h ARG 91 Ca 0.41 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1a99 h ARG 91 Cb 0.61 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1a99 h ARG 91 CO -0.38 0.44 -0.17 1.96 -1.51 0.00 0.00 179.97 180.31 1a99 h GLN 92 N -0.13 0.00 0.00 0.20 4.20 -0.53 -2.38 115.11 116.47 1a99 h GLN 92 Ca 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1a99 h GLN 92 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1a99 h GLN 92 CO 0.01 0.17 -0.17 1.37 -0.67 0.00 0.00 178.83 179.54 1a99 h LEU 93 N 0.00 0.00 -1.20 1.46 8.10 -0.91 -2.79 115.31 119.98 1a99 h LEU 93 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 1a99 h LEU 93 Cb 0.40 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 1a99 h LEU 93 CO 0.02 0.12 0.10 0.74 -4.11 0.00 0.00 178.44 175.31 1a99 h THR 94 N 0.00 1.20 0.00 0.15 2.02 -1.37 -0.65 112.91 114.26 1a99 h THR 94 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1a99 h THR 94 Cb 1.09 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1a99 h THR 94 CO 0.01 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.16 1a99 n ALA 95 N -2.47 2.60 -2.87 6.16 0.00 -1.07 -4.91 120.51 117.96 1a99 n ALA 95 Ca 0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1a99 n ALA 95 Cb 0.21 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.37 1a99 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a99 n GLY 96 N 0.79 -0.38 0.14 0.00 0.00 -0.25 -4.94 105.19 100.55 1a99 n GLY 96 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 1a99 n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a99 h VAL 97 N -1.10 1.45 -3.22 1.61 2.07 -1.72 -3.45 116.25 111.89 1a99 h VAL 97 Ca -0.47 -2.27 -0.64 0.00 0.82 0.00 0.00 66.70 64.15 1a99 h VAL 97 Cb 1.32 2.21 -0.12 0.00 -1.52 0.00 0.00 31.29 33.18 1a99 h VAL 97 CO 0.51 0.66 -0.67 -0.36 0.02 0.00 0.00 177.57 177.73 1a99 s PHE 98 N -3.51 2.92 0.09 1.57 0.08 -1.26 -0.47 117.98 117.39 1a99 s PHE 98 Ca -0.03 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1a99 s PHE 98 Cb 0.11 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1a99 s PHE 98 CO 0.80 0.48 0.24 1.14 -0.10 0.00 0.00 175.22 177.78 1a99 s GLN 99 N -2.52 3.45 0.51 0.44 -2.07 -0.43 -4.59 119.66 114.46 1a99 s GLN 99 Ca 0.26 -0.45 -0.21 0.00 -1.82 0.00 0.00 55.36 53.14 1a99 s GLN 99 Cb -0.11 -3.01 -0.07 0.00 -1.09 0.00 0.00 33.01 28.74 1a99 s GLN 99 CO 0.18 0.58 1.13 -1.25 -1.32 0.00 0.00 175.29 174.61 1a99 s PRO 100 N -2.69 3.54 -0.04 9.60 0.04 -1.26 -4.58 135.00 139.61 1a99 s PRO 100 Ca 0.35 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1a99 s PRO 100 Cb -0.12 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1a99 s PRO 100 CO 0.28 -0.70 1.01 -0.51 0.04 0.00 0.00 177.00 177.12 1a99 s LEU 101 N -3.50 4.32 -0.90 -3.56 1.43 0.16 -4.98 118.68 111.64 1a99 s LEU 101 Ca 0.69 1.63 -0.24 0.00 -1.03 0.00 0.00 54.13 55.18 1a99 s LEU 101 Cb -0.24 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1a99 s LEU 101 CO 0.29 -0.36 1.36 -0.62 0.23 0.00 0.00 176.35 177.24 1a99 s ASP 102 N 1.07 6.36 0.35 2.29 -1.08 -1.26 -4.86 116.67 119.54 1a99 s ASP 102 Ca 0.51 -1.07 0.25 0.00 -0.52 0.00 0.00 52.55 51.72 1a99 s ASP 102 Cb -0.20 -2.56 1.26 0.00 -1.46 0.00 0.00 42.92 39.96 1a99 s ASP 102 CO 0.24 -1.62 1.77 0.11 0.52 0.00 0.00 175.17 176.19 1a99 h LYS 103 N 9.85 0.00 0.00 4.34 1.57 -1.94 -0.55 116.57 129.84 1a99 h LYS 103 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a99 h LYS 103 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1a99 h LYS 103 CO 1.35 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.89 1a99 h SER 104 N 0.00 0.00 -0.63 0.86 4.64 -2.02 -1.96 113.55 114.44 1a99 h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a99 h SER 104 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1a99 h SER 104 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a99 n LYS 105 N -2.63 2.55 -3.51 4.77 5.02 -0.21 -4.54 118.16 119.61 1a99 n LYS 105 Ca 0.01 -2.30 -0.27 0.00 -2.02 0.00 0.00 58.31 53.73 1a99 n LYS 105 Cb 0.25 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1a99 n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a99 n LEU 106 N 1.32 0.81 -0.27 -0.35 4.77 -0.74 -4.90 117.00 117.64 1a99 n LEU 106 Ca 0.21 -4.71 0.08 0.00 -0.03 0.00 0.00 56.01 51.57 1a99 n LEU 106 Cb 0.56 0.13 0.22 0.00 -2.33 0.00 0.00 43.42 42.00 1a99 n LEU 106 CO 0.15 1.87 1.00 -0.65 -1.33 0.00 0.00 177.39 178.43 1a99 h PRO 107 N 5.28 0.38 -0.78 3.23 0.11 -1.80 -1.91 132.00 136.50 1a99 h PRO 107 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a99 h PRO 107 Cb 0.85 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1a99 h PRO 107 CO 0.51 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 1a99 n GLU 108 N -5.06 2.01 -0.19 1.05 1.02 -1.26 -4.22 120.64 113.99 1a99 n GLU 108 Ca 0.17 -0.86 0.21 0.00 -0.02 0.00 0.00 57.16 56.65 1a99 n GLU 108 Cb 0.50 -1.63 0.58 0.00 -0.02 0.00 0.00 31.44 30.86 1a99 n GLU 108 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1a99 h TRP 109 N 1.13 0.36 -0.07 -0.32 2.91 -1.71 -0.08 115.95 118.17 1a99 h TRP 109 Ca 0.00 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1a99 h TRP 109 Cb 0.82 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1a99 h TRP 109 CO 0.28 0.10 0.35 0.87 -1.03 0.00 0.00 178.44 179.01 1a99 h LYS 110 N 0.28 0.00 0.00 2.65 6.56 -1.85 -2.03 116.57 122.18 1a99 h LYS 110 Ca 0.43 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.96 1a99 h LYS 110 Cb 1.23 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1a99 h LYS 110 CO -0.12 0.00 -0.28 -0.91 -2.06 0.00 0.00 179.45 176.08 1a99 h ASN 111 N 0.00 0.00 -3.38 0.86 2.35 -1.35 -3.45 115.58 110.60 1a99 h ASN 111 Ca 0.04 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.26 1a99 h ASN 111 Cb 0.73 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.15 1a99 h ASN 111 CO -0.00 0.28 0.74 -0.76 -1.65 0.00 0.00 177.43 176.04 1a99 s LEU 112 N -7.18 4.39 0.12 1.61 1.43 -0.77 0.40 118.68 118.69 1a99 s LEU 112 Ca -0.01 2.61 -0.31 0.00 -1.03 0.00 0.00 54.13 55.39 1a99 s LEU 112 Cb 0.12 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 1a99 s LEU 112 CO 0.66 -0.66 1.85 -0.62 0.23 0.00 0.00 176.35 177.80 1a99 s ASP 113 N 0.35 6.41 0.44 2.29 -1.08 0.11 -4.62 116.67 120.58 1a99 s ASP 113 Ca 0.59 2.78 0.16 0.00 -0.52 0.00 0.00 52.55 55.55 1a99 s ASP 113 Cb -0.41 -2.57 1.01 0.00 -1.46 0.00 0.00 42.92 39.50 1a99 s ASP 113 CO 0.42 -1.02 1.97 1.55 0.52 0.00 0.00 175.17 178.62 1a99 h PRO 114 N 8.71 0.00 -0.28 4.34 0.13 -1.92 -2.44 132.00 140.55 1a99 h PRO 114 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1a99 h PRO 114 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1a99 h PRO 114 CO 0.95 0.21 -0.43 0.93 -0.23 0.00 0.00 178.00 179.43 1a99 h GLU 115 N 0.00 0.68 0.00 0.86 5.08 -1.98 -2.34 114.58 116.88 1a99 h GLU 115 Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1a99 h GLU 115 Cb 0.39 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1a99 h GLU 115 CO 0.03 0.98 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.50 1a99 h LEU 116 N 0.55 0.00 -0.66 1.33 3.38 -1.87 -2.59 115.31 115.46 1a99 h LEU 116 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1a99 h LEU 116 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1a99 h LEU 116 CO 0.09 0.45 -0.64 -0.07 0.09 0.00 0.00 178.44 178.36 1a99 h LEU 117 N 0.00 0.12 -0.00 1.67 3.38 -1.19 -2.33 115.31 116.95 1a99 h LEU 117 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a99 h LEU 117 Cb 0.85 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1a99 h LEU 117 CO 0.06 0.73 -0.00 0.11 0.09 0.00 0.00 178.44 179.43 1a99 h LYS 118 N 0.07 0.00 -1.00 1.13 1.57 -1.12 -0.37 116.57 116.86 1a99 h LYS 118 Ca -0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1a99 h LYS 118 Cb 1.15 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 1a99 h LYS 118 CO 0.09 0.33 0.65 -0.07 -0.57 0.00 0.00 179.45 179.88 1a99 h LEU 119 N -0.33 1.06 -0.59 2.94 3.38 -1.42 -0.92 115.31 119.44 1a99 h LEU 119 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1a99 h LEU 119 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1a99 h LEU 119 CO 0.00 0.71 -0.33 0.58 0.09 0.00 0.00 178.44 179.49 1a99 h VAL 120 N 1.22 0.66 0.00 1.22 2.07 -1.36 -3.08 116.25 116.99 1a99 h VAL 120 Ca 0.41 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1a99 h VAL 120 Cb 0.07 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1a99 h VAL 120 CO -0.15 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1a99 h ALA 121 N 1.67 1.00 -0.09 1.67 0.00 0.39 0.12 119.26 124.02 1a99 h ALA 121 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1a99 h ALA 121 Cb 1.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1a99 h ALA 121 CO 0.04 0.00 -0.24 0.87 0.00 0.00 0.00 179.25 179.93 1a99 h LYS 122 N 0.00 0.16 0.00 0.00 1.57 -1.43 -0.97 116.57 115.89 1a99 h LYS 122 Ca 0.00 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.46 1a99 h LYS 122 Cb 0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1a99 h LYS 122 CO 0.00 0.39 -2.15 0.72 -0.57 0.00 0.00 179.45 177.84 1a99 n HIS 123 N -4.20 0.19 -3.58 -1.35 8.25 -0.56 -4.70 115.22 109.27 1a99 n HIS 123 Ca -0.01 0.07 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 1a99 n HIS 123 Cb 0.33 -0.93 -0.12 0.00 1.12 0.00 0.00 29.99 30.39 1a99 n HIS 123 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a99 s ASP 124 N -5.39 2.92 0.21 0.41 2.15 0.30 -4.26 116.67 113.01 1a99 s ASP 124 Ca -0.08 -2.88 -0.31 0.00 0.43 0.00 0.00 52.55 49.71 1a99 s ASP 124 Cb 0.08 -0.79 -0.10 0.00 -0.30 0.00 0.00 42.92 41.81 1a99 s ASP 124 CO 0.84 -0.21 1.49 -2.16 -0.17 0.00 0.00 175.17 174.95 1a99 s PRO 125 N 0.11 4.25 -0.54 4.34 0.04 -0.38 -1.13 135.00 141.68 1a99 s PRO 125 Ca 0.24 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1a99 s PRO 125 Cb -0.11 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1a99 s PRO 125 CO -0.09 -0.49 0.00 -0.25 0.04 0.00 0.00 177.00 176.20 1a99 n ASP 126 N 3.05 -4.12 -4.28 6.66 8.00 -1.26 -3.65 116.55 120.95 1a99 n ASP 126 Ca 0.10 0.13 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 1a99 n ASP 126 Cb 0.40 -2.07 -0.05 0.00 -0.02 0.00 0.00 41.12 39.38 1a99 n ASP 126 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a99 n ASN 127 N 0.19 -1.65 0.22 -2.24 3.02 -0.29 -4.86 115.26 109.66 1a99 n ASN 127 Ca -0.05 -1.12 0.12 0.00 -0.03 0.00 0.00 54.58 53.49 1a99 n ASN 127 Cb 0.25 -2.30 0.30 0.00 -0.61 0.00 0.00 39.78 37.42 1a99 n ASN 127 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 128 N -1.45 0.00 0.00 3.52 1.57 -1.76 -3.40 116.57 115.06 1a99 h LYS 128 Ca -0.61 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1a99 h LYS 128 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 1a99 h LYS 128 CO 0.77 0.10 -1.02 1.19 -0.57 0.00 0.00 179.45 179.92 1a99 n PHE 129 N -3.15 0.00 -4.24 -1.35 3.01 -1.26 -0.67 117.46 109.81 1a99 n PHE 129 Ca 0.03 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.28 1a99 n PHE 129 Cb 0.50 -0.01 -0.12 0.00 -0.01 0.00 0.00 39.48 39.84 1a99 n PHE 129 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a99 s ALA 130 N -2.02 1.52 -0.30 4.37 0.00 -1.26 -4.37 121.76 119.69 1a99 s ALA 130 Ca -0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1a99 s ALA 130 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1a99 s ALA 130 CO 0.02 0.21 0.07 1.41 0.00 0.00 0.00 175.76 177.46 1a99 s MET 131 N -2.15 2.92 0.29 0.00 1.75 -0.14 -4.92 119.30 117.05 1a99 s MET 131 Ca 0.05 -0.97 -0.30 0.00 -1.25 0.00 0.00 55.69 53.23 1a99 s MET 131 Cb -0.08 -3.34 -0.13 0.00 2.84 0.00 0.00 34.83 34.12 1a99 s MET 131 CO 0.03 -0.50 1.32 -2.30 -0.65 0.00 0.00 175.02 172.93 1a99 n PRO 132 N 4.82 2.01 0.00 4.11 -0.02 -1.26 -0.87 135.00 143.79 1a99 n PRO 132 Ca -0.14 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1a99 n PRO 132 Cb 0.47 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1a99 n PRO 132 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1a99 n TYR 133 N 1.10 0.00 -4.43 6.00 9.36 -0.36 -4.70 117.16 124.13 1a99 n TYR 133 Ca 0.09 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.09 1a99 n TYR 133 Cb 0.33 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.94 1a99 n TYR 133 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1a99 s MET 134 N -0.30 1.58 0.01 2.98 -1.94 -1.20 -2.05 119.30 118.38 1a99 s MET 134 Ca 0.00 -1.82 -0.20 0.00 -1.71 0.00 0.00 55.69 51.96 1a99 s MET 134 Cb 0.00 -1.06 0.04 0.00 2.01 0.00 0.00 34.83 35.82 1a99 s MET 134 CO 0.00 -0.03 0.44 1.67 -0.01 0.00 0.00 175.02 177.09 1a99 s TRP 135 N -3.10 -0.33 0.00 -0.03 1.48 -0.76 -1.47 118.94 114.73 1a99 s TRP 135 Ca 0.31 0.44 0.00 0.00 -1.06 0.00 0.00 56.10 55.80 1a99 s TRP 135 Cb 0.05 0.23 0.00 0.00 -1.16 0.00 0.00 33.47 32.59 1a99 s TRP 135 CO 0.13 -0.53 0.00 0.00 -4.06 0.00 0.00 176.95 172.49 1a99 n ALA 136 N 0.83 0.00 -2.38 2.67 0.00 -1.09 -3.60 120.51 116.93 1a99 n ALA 136 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 1a99 n ALA 136 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1a99 n ALA 136 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a99 s THR 137 N -2.75 1.44 -0.27 0.00 -4.23 -1.26 -1.72 115.64 106.85 1a99 s THR 137 Ca 0.00 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1a99 s THR 137 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 1a99 s THR 137 CO 0.00 -0.36 0.09 -0.89 -0.54 0.00 0.00 174.62 172.92 1a99 s THR 138 N -3.15 4.30 0.00 3.99 2.01 -0.12 -1.73 115.64 120.95 1a99 s THR 138 Ca 0.28 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1a99 s THR 138 Cb 0.04 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1a99 s THR 138 CO 0.10 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1a99 n GLY 139 N 4.93 4.87 3.53 4.40 0.00 -0.01 -4.07 105.19 118.84 1a99 n GLY 139 Ca -0.15 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1a99 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a99 s ILE 140 N 0.19 4.52 -0.14 -0.61 1.01 -0.79 -0.68 121.20 124.69 1a99 s ILE 140 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1a99 s ILE 140 Cb 0.00 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1a99 s ILE 140 CO 0.00 0.39 -0.02 -0.83 0.00 0.00 0.00 174.94 174.48 1a99 s GLY 141 N 1.07 1.75 0.01 6.18 0.00 -0.16 -0.33 107.32 115.84 1a99 s GLY 141 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 1a99 s GLY 141 CO 0.03 -0.18 0.35 -2.52 0.00 0.00 0.00 173.10 170.79 1a99 s TYR 142 N 0.09 -0.21 -0.56 1.90 1.13 -0.26 -0.98 117.35 118.45 1a99 s TYR 142 Ca 0.00 0.25 -0.28 0.00 -1.41 0.00 0.00 57.07 55.63 1a99 s TYR 142 Cb -0.13 0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.90 1a99 s TYR 142 CO 0.02 -0.47 1.21 1.21 -2.51 0.00 0.00 175.55 175.02 1a99 s ASN 143 N -1.61 6.44 0.23 -0.18 3.84 0.20 -1.18 114.94 122.68 1a99 s ASN 143 Ca -0.10 0.18 -0.06 0.00 0.21 0.00 0.00 52.86 53.09 1a99 s ASN 143 Cb -0.03 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.53 1a99 s ASN 143 CO 0.02 -1.47 1.70 0.58 -2.79 0.00 0.00 177.10 175.13 1a99 h VAL 144 N 6.19 0.59 -0.17 -5.21 2.07 -0.91 -2.21 116.25 116.60 1a99 h VAL 144 Ca -0.25 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1a99 h VAL 144 Cb 1.06 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1a99 h VAL 144 CO 1.18 0.06 -0.37 0.44 0.02 0.00 0.00 177.57 178.90 1a99 h ASP 145 N 0.31 0.62 -0.65 0.57 3.32 -1.92 -2.98 116.42 115.69 1a99 h ASP 145 Ca 0.39 -0.56 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1a99 h ASP 145 Cb 0.62 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1a99 h ASP 145 CO -0.45 1.06 0.18 0.11 -1.72 0.00 0.00 179.24 178.42 1a99 h LYS 146 N 0.20 1.02 -0.52 3.56 1.57 -1.90 -1.24 116.57 119.25 1a99 h LYS 146 Ca 0.00 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1a99 h LYS 146 Cb 0.97 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1a99 h LYS 146 CO 0.08 0.90 0.01 0.28 -0.57 0.00 0.00 179.45 180.16 1a99 h VAL 147 N 0.94 1.25 -0.29 0.50 2.07 -1.48 -1.52 116.25 117.73 1a99 h VAL 147 Ca 0.21 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.54 1a99 h VAL 147 Cb 0.33 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1a99 h VAL 147 CO -0.00 0.37 -0.41 0.11 0.02 0.00 0.00 177.57 177.66 1a99 h LYS 148 N 0.82 0.71 -0.06 1.57 6.56 -1.36 0.24 116.57 125.05 1a99 h LYS 148 Ca 0.16 -0.37 -0.09 0.00 -1.06 0.00 0.00 60.65 59.28 1a99 h LYS 148 Cb 0.47 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 1a99 h LYS 148 CO 0.02 0.99 -0.39 0.00 -2.06 0.00 0.00 179.45 178.01 1a99 h ALA 149 N 0.96 1.23 0.04 3.86 0.00 -0.94 0.24 119.26 124.66 1a99 h ALA 149 Ca 0.04 -0.38 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 1a99 h ALA 149 Cb 0.95 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1a99 h ALA 149 CO 0.09 0.54 -1.98 0.28 0.00 0.00 0.00 179.25 178.18 1a99 n VAL 150 N -4.05 1.61 0.41 0.00 0.31 -0.60 -4.47 118.33 111.54 1a99 n VAL 150 Ca -0.02 -0.41 0.12 0.00 -0.01 0.00 0.00 64.34 64.02 1a99 n VAL 150 Cb 0.45 -1.79 0.20 0.00 -0.91 0.00 0.00 33.84 31.79 1a99 n VAL 150 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a99 n LEU 151 N -3.85 3.41 0.00 7.52 4.77 0.84 -5.01 117.00 124.68 1a99 n LEU 151 Ca -0.39 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1a99 n LEU 151 Cb 0.90 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1a99 n LEU 151 CO 0.26 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1a99 n GLY 152 N 1.49 -1.18 0.40 -0.72 0.00 0.86 -4.01 105.19 102.04 1a99 n GLY 152 Ca 0.19 -1.62 0.22 0.00 0.00 0.00 0.00 46.02 44.81 1a99 n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a99 h GLU 153 N 0.00 0.05 -0.62 1.61 4.39 -1.92 -2.51 114.58 115.57 1a99 h GLU 153 Ca 0.00 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1a99 h GLU 153 Cb 0.00 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 28.48 1a99 h GLU 153 CO 0.00 0.04 0.23 0.27 -1.16 0.00 0.00 179.01 178.39 1a99 n ASN 154 N -4.36 3.61 -4.56 1.42 6.94 -1.26 -5.02 115.26 112.02 1a99 n ASN 154 Ca 0.13 -3.50 -0.46 0.00 -0.02 0.00 0.00 54.58 50.73 1a99 n ASN 154 Cb 0.70 -0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1a99 n ASN 154 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a99 n ALA 155 N -0.81 -0.72 -0.79 -2.53 0.00 -0.95 -4.74 120.51 109.96 1a99 n ALA 155 Ca 0.41 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 54.08 1a99 n ALA 155 Cb 1.29 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1a99 n ALA 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a99 n PRO 156 N 1.11 2.04 0.21 0.00 -0.04 -1.26 -4.67 135.00 132.39 1a99 n PRO 156 Ca 0.12 -1.26 0.14 0.00 -0.04 0.00 0.00 63.50 62.46 1a99 n PRO 156 Cb 0.29 -2.27 0.77 0.00 -0.04 0.00 0.00 33.50 32.25 1a99 n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a99 h VAL 157 N 2.95 0.00 -0.66 0.52 2.07 -1.99 -2.01 116.25 117.12 1a99 h VAL 157 Ca 0.41 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1a99 h VAL 157 Cb 0.50 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1a99 h VAL 157 CO 1.07 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.76 1a99 n ASP 158 N -2.49 3.56 -4.08 0.57 5.75 -1.26 -4.83 116.55 113.78 1a99 n ASP 158 Ca -0.02 -2.01 -0.07 0.00 -0.01 0.00 0.00 54.79 52.68 1a99 n ASP 158 Cb 0.04 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 1a99 n ASP 158 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1a99 s SER 159 N -1.00 0.45 0.19 -1.12 1.04 -0.76 -0.53 113.70 111.98 1a99 s SER 159 Ca 0.44 -0.99 0.19 0.00 0.48 0.00 0.00 55.95 56.07 1a99 s SER 159 Cb 0.23 0.22 0.84 0.00 0.10 0.00 0.00 66.02 67.40 1a99 s SER 159 CO 0.30 -0.62 1.57 0.79 0.98 0.00 0.00 173.24 176.26 1a99 n TRP 160 N 0.09 0.53 0.28 5.02 7.02 -1.26 -2.41 117.44 126.71 1a99 n TRP 160 Ca -0.14 0.23 0.13 0.00 -1.02 0.00 0.00 57.50 56.70 1a99 n TRP 160 Cb 0.61 -0.87 0.83 0.00 -2.42 0.00 0.00 31.31 29.46 1a99 n TRP 160 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1a99 h ASP 161 N 0.00 0.00 -0.73 -0.99 5.19 -1.92 0.39 116.42 118.37 1a99 h ASP 161 Ca 0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1a99 h ASP 161 Cb 0.22 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 1a99 h ASP 161 CO 0.00 0.02 0.48 0.25 -3.12 0.00 0.00 179.24 176.87 1a99 h LEU 162 N 0.00 0.77 0.00 1.55 5.85 -1.62 -2.96 115.31 118.91 1a99 h LEU 162 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1a99 h LEU 162 Cb 0.04 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1a99 h LEU 162 CO 0.00 0.54 -0.41 0.00 -0.34 0.00 0.00 178.44 178.23 1a99 n ILE 163 N -4.45 0.00 0.21 4.05 3.06 -0.85 -4.30 119.36 117.09 1a99 n ILE 163 Ca 0.09 -0.27 0.08 0.00 -2.50 0.00 0.00 62.75 60.15 1a99 n ILE 163 Cb 0.11 0.77 0.14 0.00 0.54 0.00 0.00 39.64 41.20 1a99 n ILE 163 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1a99 n LEU 164 N -1.15 2.80 -4.34 9.51 4.77 0.13 -4.76 117.00 123.97 1a99 n LEU 164 Ca 0.00 -1.49 -0.38 0.00 -0.03 0.00 0.00 56.01 54.11 1a99 n LEU 164 Cb 0.00 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1a99 n LEU 164 CO 0.00 0.62 -0.25 -0.75 -1.33 0.00 0.00 177.39 175.68 1a99 s LYS 165 N -1.16 2.95 0.32 3.23 2.20 -1.12 -4.93 119.74 121.23 1a99 s LYS 165 Ca 0.25 -0.97 0.10 0.00 -0.36 0.00 0.00 55.97 54.99 1a99 s LYS 165 Cb 0.15 -3.47 0.95 0.00 -1.51 0.00 0.00 37.83 33.96 1a99 s LYS 165 CO 0.21 -0.54 1.63 -1.35 -0.36 0.00 0.00 175.35 174.94 1a99 h PRO 166 N 8.27 0.19 0.00 4.03 0.11 -1.89 0.14 132.00 142.85 1a99 h PRO 166 Ca -0.28 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1a99 h PRO 166 Cb 1.11 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1a99 h PRO 166 CO 0.61 0.13 -0.18 1.05 -0.21 0.00 0.00 178.00 179.40 1a99 h GLU 167 N 0.20 0.00 0.07 1.05 9.09 -1.95 -1.16 114.58 121.88 1a99 h GLU 167 Ca 0.67 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.93 1a99 h GLU 167 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.61 1a99 h GLU 167 CO -0.69 0.18 -0.75 -0.91 0.05 0.00 0.00 179.01 176.90 1a99 h ASN 168 N 0.00 0.24 -0.05 3.06 2.35 -1.29 -3.28 115.58 116.61 1a99 h ASN 168 Ca -0.00 -0.89 0.01 0.00 -0.55 0.00 0.00 56.30 54.87 1a99 h ASN 168 Cb 0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1a99 h ASN 168 CO 0.02 1.33 0.04 0.25 -1.65 0.00 0.00 177.43 177.43 1a99 h LEU 169 N -0.64 0.00 -0.47 1.61 5.85 -1.20 -1.27 115.31 119.19 1a99 h LEU 169 Ca -0.16 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 1a99 h LEU 169 Cb 1.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1a99 h LEU 169 CO 0.04 0.00 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.54 1a99 h GLU 170 N 0.00 0.98 -0.18 1.25 5.08 -1.30 -0.82 114.58 119.58 1a99 h GLU 170 Ca 0.02 -0.45 -0.18 0.00 -1.00 0.00 0.00 59.36 57.76 1a99 h GLU 170 Cb 0.11 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1a99 h GLU 170 CO -0.00 1.12 -0.62 0.87 -1.00 0.00 0.00 179.01 179.38 1a99 h LYS 171 N 0.83 0.61 0.00 2.33 1.57 -1.33 -3.16 116.57 117.42 1a99 h LYS 171 Ca 0.10 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1a99 h LYS 171 Cb 0.85 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1a99 h LYS 171 CO 0.08 1.04 0.00 -0.07 -0.57 0.00 0.00 179.45 179.93 1a99 h LEU 172 N 0.45 0.00 -1.00 2.94 3.38 -1.21 -3.30 115.31 116.57 1a99 h LEU 172 Ca -0.01 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.28 1a99 h LEU 172 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 1a99 h LEU 172 CO 0.12 0.00 0.56 0.50 0.09 0.00 0.00 178.44 179.71 1a99 h LYS 173 N 0.00 0.31 -0.01 1.13 3.64 -1.11 -1.68 116.57 118.85 1a99 h LYS 173 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1a99 h LYS 173 Cb 0.76 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1a99 h LYS 173 CO 0.00 0.20 -0.25 0.66 -2.27 0.00 0.00 179.45 177.79 1a99 h SER 174 N 0.32 -0.74 -0.04 4.20 4.64 -1.78 -2.92 113.55 117.23 1a99 h SER 174 Ca 0.73 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 62.16 1a99 h SER 174 Cb 1.67 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1a99 h SER 174 CO -0.61 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.03 1a99 n GLY 176 N 1.01 1.39 3.25 0.00 0.00 -1.10 -1.82 105.19 107.92 1a99 n GLY 176 Ca 0.19 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1a99 n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 177 N 0.00 1.77 -0.00 1.61 1.01 -1.26 -0.88 120.40 122.64 1a99 s VAL 177 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1a99 s VAL 177 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1a99 s VAL 177 CO 0.00 0.45 -0.07 -0.55 0.00 0.00 0.00 175.10 174.93 1a99 s SER 178 N -0.66 0.86 0.05 3.32 0.15 -0.97 -1.40 113.70 115.07 1a99 s SER 178 Ca 0.09 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.67 1a99 s SER 178 Cb -0.09 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1a99 s SER 178 CO -0.00 0.08 -0.22 -0.36 1.20 0.00 0.00 173.24 173.94 1a99 s PHE 179 N -0.21 1.88 0.34 3.44 0.40 -0.77 -1.56 117.98 121.50 1a99 s PHE 179 Ca 0.02 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 55.68 1a99 s PHE 179 Cb -0.03 -1.11 -0.10 0.00 0.51 0.00 0.00 43.02 42.29 1a99 s PHE 179 CO -0.00 0.12 1.35 -0.51 0.70 0.00 0.00 175.22 176.87 1a99 s LEU 180 N -1.32 4.40 -1.02 -0.37 1.43 -1.24 -0.93 118.68 119.63 1a99 s LEU 180 Ca 0.08 2.77 -0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1a99 s LEU 180 Cb -0.09 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1a99 s LEU 180 CO 0.02 -0.62 2.77 -0.67 0.23 0.00 0.00 176.35 178.08 1a99 n ASP 181 N 0.70 7.50 -3.75 2.29 2.03 -1.26 -4.70 116.55 119.37 1a99 n ASP 181 Ca 0.00 -2.94 -0.30 0.00 0.52 0.00 0.00 54.79 52.07 1a99 n ASP 181 Cb 0.41 -1.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.30 1a99 n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a99 s ALA 182 N -0.26 2.33 0.12 -1.67 0.00 -1.26 -4.88 121.76 116.14 1a99 s ALA 182 Ca 0.60 -2.70 -0.33 0.00 0.00 0.00 0.00 51.96 49.53 1a99 s ALA 182 Cb 0.25 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 21.31 1a99 s ALA 182 CO -0.10 -2.06 1.54 -1.00 0.00 0.00 0.00 175.76 174.14 1a99 h PRO 183 N 6.69 -0.52 -0.78 0.00 0.13 -1.98 0.06 132.00 135.60 1a99 h PRO 183 Ca -0.02 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.28 1a99 h PRO 183 Cb 0.92 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1a99 h PRO 183 CO 0.51 -0.35 0.51 0.93 -0.23 0.00 0.00 178.00 179.38 1a99 h GLU 184 N -0.54 0.52 0.08 0.86 5.08 -1.95 -0.79 114.58 117.84 1a99 h GLU 184 Ca 0.04 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1a99 h GLU 184 Cb 0.65 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1a99 h GLU 184 CO -0.45 0.34 -0.62 0.93 -1.00 0.00 0.00 179.01 178.21 1a99 h GLU 185 N 0.54 0.28 -0.41 2.33 5.08 -1.87 -2.79 114.58 117.73 1a99 h GLU 185 Ca 0.38 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1a99 h GLU 185 Cb 0.72 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1a99 h GLU 185 CO -0.14 1.15 -0.02 0.28 -1.00 0.00 0.00 179.01 179.29 1a99 h VAL 186 N -0.39 1.26 -0.17 3.13 2.07 -0.77 -2.30 116.25 119.08 1a99 h VAL 186 Ca -0.10 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1a99 h VAL 186 Cb 1.43 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1a99 h VAL 186 CO 0.12 0.35 0.11 -0.26 0.02 0.00 0.00 177.57 177.91 1a99 h PHE 187 N 0.56 0.22 -0.48 1.57 0.04 -1.27 -0.25 116.94 117.32 1a99 h PHE 187 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1a99 h PHE 187 Cb 0.50 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1a99 h PHE 187 CO 0.04 0.14 0.27 0.00 -0.60 0.00 0.00 178.31 178.16 1a99 h ALA 188 N 1.06 1.57 -0.10 2.45 0.00 -1.45 0.97 119.26 123.76 1a99 h ALA 188 Ca 0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1a99 h ALA 188 Cb -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1a99 h ALA 188 CO -0.01 0.36 -0.81 1.79 0.00 0.00 0.00 179.25 180.58 1a99 h THR 189 N 0.66 1.32 -0.47 0.00 1.35 -0.91 -1.70 112.91 113.15 1a99 h THR 189 Ca 0.17 -2.10 -0.06 0.00 -0.55 0.00 0.00 66.41 63.87 1a99 h THR 189 Cb 0.01 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1a99 h THR 189 CO -0.03 0.65 0.05 0.58 -0.25 0.00 0.00 175.52 176.52 1a99 h VAL 190 N 0.41 1.25 -0.47 6.82 2.07 -0.50 -0.95 116.25 124.88 1a99 h VAL 190 Ca -0.06 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1a99 h VAL 190 Cb 1.43 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1a99 h VAL 190 CO 0.16 0.34 0.24 -0.07 0.02 0.00 0.00 177.57 178.26 1a99 h LEU 191 N 0.66 0.36 -0.63 2.57 3.38 -0.78 -0.52 115.31 120.35 1a99 h LEU 191 Ca 0.14 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a99 h LEU 191 Cb 0.43 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1a99 h LEU 191 CO 0.01 0.26 0.39 -1.13 0.09 0.00 0.00 178.44 178.06 1a99 h ASN 192 N 0.49 0.75 -0.22 -0.43 -0.73 -1.09 -0.12 115.58 114.22 1a99 h ASN 192 Ca 0.20 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 1a99 h ASN 192 Cb 0.09 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 1a99 h ASN 192 CO -0.13 0.58 0.08 0.22 -0.37 0.00 0.00 177.43 177.81 1a99 h TYR 193 N 0.86 0.40 -0.08 0.67 3.20 -0.46 -1.38 116.97 120.18 1a99 h TYR 193 Ca 0.23 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1a99 h TYR 193 Cb -0.03 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1a99 h TYR 193 CO -0.02 0.35 0.00 1.28 -1.64 0.00 0.00 178.16 178.13 1a99 n LEU 194 N -4.39 0.67 0.00 2.82 4.77 -0.27 -4.88 117.00 115.73 1a99 n LEU 194 Ca 0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1a99 n LEU 194 Cb 0.16 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1a99 n LEU 194 CO 0.37 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1a99 n GLY 195 N 0.88 0.68 3.99 -0.72 0.00 -0.52 -5.04 105.19 104.46 1a99 n GLY 195 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1a99 n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a99 s LYS 196 N -0.18 2.36 0.06 1.61 -0.14 -0.10 -5.00 119.74 118.35 1a99 s LYS 196 Ca 0.00 -1.08 -0.31 0.00 -1.36 0.00 0.00 55.97 53.22 1a99 s LYS 196 Cb 0.00 -2.53 -0.07 0.00 -1.68 0.00 0.00 37.83 33.55 1a99 s LYS 196 CO 0.00 -0.82 1.42 0.34 -0.76 0.00 0.00 175.35 175.54 1a99 s ASP 197 N -4.52 6.81 0.59 2.83 -1.08 -1.26 -3.89 116.67 116.16 1a99 s ASP 197 Ca 0.60 2.24 0.35 0.00 -0.52 0.00 0.00 52.55 55.22 1a99 s ASP 197 Cb -0.08 -2.57 1.85 0.00 -1.46 0.00 0.00 42.92 40.66 1a99 s ASP 197 CO 0.39 -0.71 2.19 -0.65 0.52 0.00 0.00 175.17 176.91 1a99 h PRO 198 N 7.44 0.00 -0.70 4.34 0.11 -1.84 -2.02 132.00 139.33 1a99 h PRO 198 Ca -0.40 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.23 1a99 h PRO 198 Cb 1.19 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 1a99 h PRO 198 CO 0.89 0.04 -0.18 0.09 -0.21 0.00 0.00 178.00 178.63 1a99 n ASN 199 N -3.35 4.91 -4.61 -2.05 3.02 -1.26 -4.36 115.26 107.56 1a99 n ASN 199 Ca -0.02 -3.78 -0.48 0.00 -0.03 0.00 0.00 54.58 50.27 1a99 n ASN 199 Cb 0.17 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 1a99 n ASN 199 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a99 n SER 200 N -0.89 1.96 -0.50 6.41 2.88 -0.76 -4.88 113.62 117.84 1a99 n SER 200 Ca 0.46 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.25 1a99 n SER 200 Cb 0.91 -1.29 0.28 0.00 -0.75 0.00 0.00 64.21 63.37 1a99 n SER 200 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a99 n THR 201 N 2.07 0.00 -3.06 2.46 -2.24 -1.26 -4.83 114.28 107.41 1a99 n THR 201 Ca 0.15 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1a99 n THR 201 Cb 0.25 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1a99 n THR 201 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a99 s LYS 202 N -2.27 3.76 0.65 -0.78 1.02 -1.26 -4.94 119.74 115.92 1a99 s LYS 202 Ca 0.27 0.20 0.43 0.00 0.02 0.00 0.00 55.97 56.89 1a99 s LYS 202 Cb 0.20 -3.79 2.28 0.00 -0.52 0.00 0.00 37.83 36.00 1a99 s LYS 202 CO 0.44 -0.73 2.32 0.00 -0.92 0.00 0.00 175.35 176.47 1a99 h ALA 203 N 8.38 1.03 0.00 5.17 0.00 -1.98 -2.20 119.26 129.67 1a99 h ALA 203 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a99 h ALA 203 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a99 h ALA 203 CO 0.85 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.66 1a99 h ASP 204 N 0.00 0.00 -0.33 0.00 3.32 -1.98 -2.92 116.42 114.51 1a99 h ASP 204 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1a99 h ASP 204 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1a99 h ASP 204 CO 0.00 0.00 -0.23 0.44 -1.72 0.00 0.00 179.24 177.73 1a99 h ASP 205 N 0.00 0.83 0.23 6.45 3.32 -1.78 0.69 116.42 126.16 1a99 h ASP 205 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1a99 h ASP 205 Cb 0.73 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1a99 h ASP 205 CO 0.00 1.03 -0.11 1.88 -1.72 0.00 0.00 179.24 180.32 1a99 h TYR 206 N 0.71 -0.29 0.00 4.55 -1.99 -1.66 -1.72 116.97 116.57 1a99 h TYR 206 Ca 0.10 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 1a99 h TYR 206 Cb 0.75 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 1a99 h TYR 206 CO 0.04 -0.01 -0.44 1.79 -0.00 0.00 0.00 178.16 179.54 1a99 h THR 207 N -1.01 1.12 0.00 -2.88 1.35 -1.60 -0.92 112.91 108.98 1a99 h THR 207 Ca -0.03 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1a99 h THR 207 Cb 0.41 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1a99 h THR 207 CO 0.05 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1a99 n GLY 208 N 0.07 1.04 0.19 5.82 0.00 0.24 -4.37 105.19 108.18 1a99 n GLY 208 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1a99 n GLY 208 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a99 h PRO 209 N 0.00 0.11 0.24 1.61 0.13 -1.68 -2.09 132.00 130.31 1a99 h PRO 209 Ca 0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1a99 h PRO 209 Cb 0.00 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 1a99 h PRO 209 CO 0.00 0.07 -0.44 0.00 -0.23 0.00 0.00 178.00 177.40 1a99 h ALA 210 N 1.41 -0.86 0.00 -0.56 0.00 -1.43 -1.20 119.26 116.63 1a99 h ALA 210 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a99 h ALA 210 Cb 0.34 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1a99 h ALA 210 CO -0.38 -1.04 -0.09 1.15 0.00 0.00 0.00 179.25 178.89 1a99 h THR 211 N -0.75 0.87 -0.01 0.00 2.02 -1.04 -1.95 112.91 112.05 1a99 h THR 211 Ca -0.01 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1a99 h THR 211 Cb 0.73 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1a99 h THR 211 CO -0.18 0.08 -0.00 0.44 0.37 0.00 0.00 175.52 176.23 1a99 h ASP 212 N 0.00 0.02 -0.02 4.18 3.32 -0.59 -0.22 116.42 123.11 1a99 h ASP 212 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1a99 h ASP 212 Cb 0.17 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1a99 h ASP 212 CO 0.01 0.38 -0.01 0.25 -1.72 0.00 0.00 179.24 178.15 1a99 h LEU 213 N -0.34 -0.02 -0.73 1.55 6.46 -1.02 -0.56 115.31 120.65 1a99 h LEU 213 Ca 0.00 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1a99 h LEU 213 Cb 0.37 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.25 1a99 h LEU 213 CO 0.00 -0.01 0.40 -0.07 -0.62 0.00 0.00 178.44 178.14 1a99 h LEU 214 N -0.00 0.57 -1.23 2.25 3.38 -1.32 0.30 115.31 119.26 1a99 h LEU 214 Ca 0.01 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1a99 h LEU 214 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1a99 h LEU 214 CO -0.02 0.34 -0.33 -0.07 0.09 0.00 0.00 178.44 178.45 1a99 h LEU 215 N 0.70 0.10 -0.19 1.67 3.38 -0.71 0.36 115.31 120.61 1a99 h LEU 215 Ca 0.35 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1a99 h LEU 215 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1a99 h LEU 215 CO -0.23 0.42 -0.02 0.11 0.09 0.00 0.00 178.44 178.81 1a99 h LYS 216 N 0.09 0.36 -0.21 1.13 1.57 0.58 -3.26 116.57 116.82 1a99 h LYS 216 Ca 0.01 -0.12 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1a99 h LYS 216 Cb 0.62 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1a99 h LYS 216 CO 0.05 0.59 -0.69 -0.07 -0.57 0.00 0.00 179.45 178.76 1a99 h LEU 217 N 0.10 0.94 -0.55 2.94 3.38 -0.72 -3.38 115.31 118.01 1a99 h LEU 217 Ca 0.05 -0.57 0.17 0.00 0.09 0.00 0.00 57.88 57.62 1a99 h LEU 217 Cb 0.44 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 1a99 h LEU 217 CO 0.01 1.37 0.06 -1.14 0.09 0.00 0.00 178.44 178.83 1a99 n ARG 218 N -3.96 -0.04 0.12 1.13 0.00 0.12 -0.59 116.66 113.44 1a99 n ARG 218 Ca -0.06 0.82 0.11 0.00 -0.00 0.00 0.00 57.85 58.72 1a99 n ARG 218 Cb 0.70 -1.33 0.47 0.00 0.00 0.00 0.00 32.46 32.30 1a99 n ARG 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1a99 n PRO 219 N -4.62 0.16 0.00 -0.14 -0.04 -1.26 -2.45 135.00 126.65 1a99 n PRO 219 Ca 0.14 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1a99 n PRO 219 Cb 0.47 -1.83 0.23 0.00 -0.04 0.00 0.00 33.50 32.33 1a99 n PRO 219 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a99 n ASN 220 N -2.13 1.85 -4.61 3.54 3.02 0.24 -4.88 115.26 112.30 1a99 n ASN 220 Ca 0.02 -1.44 -0.40 0.00 -0.03 0.00 0.00 54.58 52.73 1a99 n ASN 220 Cb 0.19 0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.46 1a99 n ASN 220 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a99 s ILE 221 N -2.28 5.09 0.24 2.41 1.01 -1.03 -4.46 121.20 122.18 1a99 s ILE 221 Ca 0.26 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.72 1a99 s ILE 221 Cb 0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1a99 s ILE 221 CO 0.45 0.08 1.57 -0.09 0.00 0.00 0.00 174.94 176.95 1a99 h ARG 222 N 8.09 0.23 -1.96 2.79 2.43 -1.56 -3.48 114.38 120.93 1a99 h ARG 222 Ca -0.30 -0.15 0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1a99 h ARG 222 Cb 1.14 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1a99 h ARG 222 CO 0.70 0.75 0.62 1.52 -1.51 0.00 0.00 179.97 182.06 1a99 s TYR 223 N -3.77 -0.19 -0.31 2.20 -0.85 -1.22 -5.06 117.35 108.14 1a99 s TYR 223 Ca -0.04 0.05 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1a99 s TYR 223 Cb 0.12 0.56 0.07 0.00 0.38 0.00 0.00 41.96 43.09 1a99 s TYR 223 CO 0.79 -0.48 0.01 -0.06 -1.52 0.00 0.00 175.55 174.29 1a99 s PHE 224 N -2.87 3.41 -0.11 -3.49 0.40 -1.26 -1.85 117.98 112.21 1a99 s PHE 224 Ca 0.09 -2.30 -0.14 0.00 -0.60 0.00 0.00 56.93 53.99 1a99 s PHE 224 Cb -0.00 -2.37 0.03 0.00 0.51 0.00 0.00 43.02 41.19 1a99 s PHE 224 CO -0.05 -0.88 0.36 -1.58 0.70 0.00 0.00 175.22 173.78 1a99 s HIS 225 N 1.13 -0.36 -0.26 0.36 2.46 -0.11 -4.60 115.29 113.91 1a99 s HIS 225 Ca -0.01 0.83 0.15 0.00 0.47 0.00 0.00 55.06 56.49 1a99 s HIS 225 Cb -0.20 0.13 0.76 0.00 -0.13 0.00 0.00 32.58 33.14 1a99 s HIS 225 CO -0.04 -0.25 1.68 0.43 -2.47 0.00 0.00 174.74 174.09 1a99 n SER 226 N 2.48 5.33 0.00 9.88 7.64 -1.26 -3.98 113.62 133.70 1a99 n SER 226 Ca -0.15 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1a99 n SER 226 Cb 0.57 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1a99 n SER 226 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a99 n SER 227 N 0.40 0.00 0.00 6.43 3.41 -1.26 -4.92 113.62 117.68 1a99 n SER 227 Ca 0.26 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 1a99 n SER 227 Cb 1.13 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 65.37 1a99 n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a99 n GLN 228 N -1.49 0.05 0.26 4.33 10.64 -1.26 -2.49 117.38 127.42 1a99 n GLN 228 Ca 0.00 0.25 0.15 0.00 -1.83 0.00 0.00 57.00 55.57 1a99 n GLN 228 Cb 0.00 -1.50 0.64 0.00 -0.86 0.00 0.00 30.24 28.52 1a99 n GLN 228 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1a99 h TYR 229 N 0.00 0.00 0.19 2.61 -0.00 -1.91 -2.86 116.97 115.00 1a99 h TYR 229 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1a99 h TYR 229 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 1a99 h TYR 229 CO 0.00 0.06 -0.09 0.82 -0.00 0.00 0.00 178.16 178.95 1a99 h ILE 230 N 0.00 0.90 -0.54 -0.90 2.04 -1.82 0.88 117.51 118.07 1a99 h ILE 230 Ca -0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1a99 h ILE 230 Cb 0.55 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1a99 h ILE 230 CO 0.01 0.13 0.19 0.78 0.00 0.00 0.00 178.15 179.26 1a99 h ASN 231 N -0.54 0.73 -0.05 1.72 2.35 -1.76 -1.03 115.58 117.00 1a99 h ASN 231 Ca -0.03 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.46 1a99 h ASN 231 Cb 0.41 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1a99 h ASN 231 CO 0.04 0.67 -0.52 0.44 -1.65 0.00 0.00 177.43 176.42 1a99 h ASP 232 N 0.78 0.68 -0.29 5.81 3.32 -1.38 -0.07 116.42 125.27 1a99 h ASP 232 Ca 0.18 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 1a99 h ASP 232 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1a99 h ASP 232 CO -0.01 1.08 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.35 1a99 h LEU 233 N 0.48 0.65 -1.05 1.55 3.38 -0.56 0.17 115.31 119.93 1a99 h LEU 233 Ca 0.02 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1a99 h LEU 233 Cb 1.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1a99 h LEU 233 CO 0.10 0.93 0.52 0.00 0.09 0.00 0.00 178.44 180.08 1a99 h ALA 234 N 0.74 1.29 -0.42 1.53 0.00 -1.04 -2.93 119.26 118.44 1a99 h ALA 234 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a99 h ALA 234 Cb 0.70 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a99 h ALA 234 CO 0.05 0.61 0.00 0.09 0.00 0.00 0.00 179.25 180.00 1a99 n ASN 235 N -4.37 3.00 -0.05 0.00 4.13 -0.05 -4.56 115.26 113.36 1a99 n ASN 235 Ca 0.09 -1.94 -0.01 0.00 1.68 0.00 0.00 54.58 54.41 1a99 n ASN 235 Cb 0.06 -0.28 -0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1a99 n ASN 235 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a99 n GLY 236 N 1.41 0.48 0.15 7.41 0.00 -0.88 -4.93 105.19 108.83 1a99 n GLY 236 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1a99 n GLY 236 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a99 h ASP 237 N 0.00 0.23 -4.11 1.61 3.32 -0.96 -3.45 116.42 113.07 1a99 h ASP 237 Ca -0.01 -0.15 -0.41 0.00 0.02 0.00 0.00 57.03 56.48 1a99 h ASP 237 Cb 0.10 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 39.40 1a99 h ASP 237 CO 0.02 0.85 -0.76 0.27 -1.72 0.00 0.00 179.24 177.89 1a99 s ILE 238 N -3.58 1.29 -0.15 0.35 -4.36 -1.06 -4.54 121.20 109.16 1a99 s ILE 238 Ca -0.03 -1.68 0.12 0.00 -0.26 0.00 0.00 60.65 58.80 1a99 s ILE 238 Cb 0.11 -1.48 -0.17 0.00 1.25 0.00 0.00 42.46 42.17 1a99 s ILE 238 CO 0.80 -0.41 0.32 0.00 0.24 0.00 0.00 174.94 175.89 1a99 s VAL 240 N -2.64 0.13 -0.12 0.00 1.01 -1.00 -0.63 120.40 117.16 1a99 s VAL 240 Ca -0.02 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1a99 s VAL 240 Cb 0.08 -0.93 0.11 0.00 0.00 0.00 0.00 36.38 35.64 1a99 s VAL 240 CO 0.49 -0.61 0.92 0.00 0.00 0.00 0.00 175.10 175.90 1a99 s ALA 241 N -2.70 -1.89 -0.20 5.51 0.00 -0.15 -2.28 121.76 120.05 1a99 s ALA 241 Ca -0.04 1.48 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1a99 s ALA 241 Cb -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1a99 s ALA 241 CO -0.05 -0.35 0.38 0.42 0.00 0.00 0.00 175.76 176.15 1a99 s ILE 242 N -1.29 5.22 0.26 0.00 1.01 -0.60 -0.98 121.20 124.81 1a99 s ILE 242 Ca -0.03 0.67 -0.14 0.00 0.00 0.00 0.00 60.65 61.15 1a99 s ILE 242 Cb -0.00 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1a99 s ILE 242 CO 0.03 0.28 0.52 -0.83 0.00 0.00 0.00 174.94 174.94 1a99 s GLY 243 N 0.96 0.47 0.04 6.18 0.00 0.15 -3.59 107.32 111.53 1a99 s GLY 243 Ca 0.18 -0.81 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 1a99 s GLY 243 CO 0.07 -0.55 0.83 -0.98 0.00 0.00 0.00 173.10 172.47 1a99 s TRP 244 N -3.92 3.72 0.04 1.90 0.51 -1.26 -0.83 118.94 119.11 1a99 s TRP 244 Ca 0.21 1.55 -0.07 0.00 -2.12 0.00 0.00 56.10 55.66 1a99 s TRP 244 Cb -0.02 -2.91 -0.02 0.00 -0.81 0.00 0.00 33.47 29.72 1a99 s TRP 244 CO 0.09 0.20 0.96 0.00 -0.51 0.00 0.00 176.95 177.69 1a99 n ALA 245 N 3.07 -0.15 -0.26 0.98 0.00 -0.70 -1.40 120.51 122.04 1a99 n ALA 245 Ca -0.00 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.78 1a99 n ALA 245 Cb 0.50 0.26 0.41 0.00 0.00 0.00 0.00 19.45 20.63 1a99 n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1a99 h GLY 246 N 0.00 1.12 1.01 0.00 0.00 -1.86 -0.80 103.07 102.54 1a99 h GLY 246 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1a99 h GLY 246 CO -0.23 0.06 0.35 -0.55 0.00 0.00 0.00 176.54 176.18 1a99 h ASP 247 N 0.61 0.92 -0.31 0.19 5.19 -1.49 0.20 116.42 121.73 1a99 h ASP 247 Ca 0.45 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.66 1a99 h ASP 247 Cb 0.83 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1a99 h ASP 247 CO -0.20 0.78 -0.10 0.58 -3.12 0.00 0.00 179.24 177.19 1a99 h VAL 248 N 0.99 1.28 -0.85 -1.35 2.07 -0.70 -2.04 116.25 115.66 1a99 h VAL 248 Ca 0.25 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1a99 h VAL 248 Cb 0.10 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1a99 h VAL 248 CO -0.03 0.37 0.50 -0.50 0.02 0.00 0.00 177.57 177.93 1a99 h TRP 249 N 0.38 1.12 -0.87 1.57 -0.00 -1.10 0.11 115.95 117.16 1a99 h TRP 249 Ca 0.08 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1a99 h TRP 249 Cb 0.60 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.16 29.35 1a99 h TRP 249 CO 0.05 0.75 0.57 1.96 -0.00 0.00 0.00 178.44 181.78 1a99 h GLN 250 N 1.16 1.10 -0.33 0.49 4.20 -0.80 0.15 115.11 121.09 1a99 h GLN 250 Ca 0.30 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1a99 h GLN 250 Cb -0.04 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1a99 h GLN 250 CO -0.06 0.73 0.01 0.00 -0.67 0.00 0.00 178.83 178.84 1a99 h ALA 251 N 1.47 0.44 -0.37 3.87 0.00 -0.45 0.25 119.26 124.48 1a99 h ALA 251 Ca 0.33 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1a99 h ALA 251 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1a99 h ALA 251 CO -0.08 0.19 0.10 1.03 0.00 0.00 0.00 179.25 180.49 1a99 h SER 252 N 0.38 0.08 -0.33 0.00 0.87 -0.07 -1.39 113.55 113.09 1a99 h SER 252 Ca 0.09 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1a99 h SER 252 Cb 0.43 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1a99 h SER 252 CO 0.02 0.08 0.10 -1.13 -0.53 0.00 0.00 176.83 175.37 1a99 h ASN 253 N 0.24 0.48 -0.26 6.23 -0.73 -0.51 -1.96 115.58 119.08 1a99 h ASN 253 Ca 0.17 -0.21 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 1a99 h ASN 253 Cb 0.17 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1a99 h ASN 253 CO -0.20 0.56 0.16 0.03 -0.37 0.00 0.00 177.43 177.62 1a99 h ARG 254 N 0.38 0.35 -0.29 6.67 3.08 -0.62 0.46 114.38 124.42 1a99 h ARG 254 Ca 0.11 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 1a99 h ARG 254 Cb 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1a99 h ARG 254 CO -0.00 0.25 -0.42 0.00 -1.07 0.00 0.00 179.97 178.73 1a99 h ALA 255 N 1.82 0.44 -0.08 0.04 0.00 -0.96 -2.24 119.26 118.28 1a99 h ALA 255 Ca 0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a99 h ALA 255 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1a99 h ALA 255 CO -0.02 0.56 0.04 0.87 0.00 0.00 0.00 179.25 180.70 1a99 h LYS 256 N 0.56 0.11 -0.91 0.00 1.57 -0.52 -1.49 116.57 115.90 1a99 h LYS 256 Ca 0.03 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1a99 h LYS 256 Cb 1.02 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.24 1a99 h LYS 256 CO 0.10 0.20 0.59 0.93 -0.57 0.00 0.00 179.45 180.69 1a99 h GLU 257 N -0.00 0.89 0.00 3.15 4.39 -0.95 -1.33 114.58 120.72 1a99 h GLU 257 Ca 0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1a99 h GLU 257 Cb 0.13 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1a99 h GLU 257 CO -0.00 0.59 0.00 0.00 -1.16 0.00 0.00 179.01 178.43 1a99 h ALA 258 N 1.55 1.00 -6.17 3.43 0.00 -1.07 -3.47 119.26 114.53 1a99 h ALA 258 Ca 0.42 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.89 1a99 h ALA 258 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1a99 h ALA 258 CO -0.18 0.00 -0.77 1.63 0.00 0.00 0.00 179.25 179.92 1a99 n LYS 259 N -2.50 -5.63 -0.01 0.00 4.01 -0.50 -4.87 118.16 108.66 1a99 n LYS 259 Ca 0.05 0.64 0.13 0.00 -0.51 0.00 0.00 58.31 58.61 1a99 n LYS 259 Cb 0.44 -5.44 0.27 0.00 -0.51 0.00 0.00 35.03 29.79 1a99 n LYS 259 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1a99 n ASN 260 N -2.93 2.41 0.00 4.39 0.23 -1.21 -4.96 115.26 113.19 1a99 n ASN 260 Ca -0.08 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 1a99 n ASN 260 Cb 0.58 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1a99 n ASN 260 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a99 n GLY 261 N 1.28 1.58 3.68 4.83 0.00 -1.26 -5.02 105.19 110.29 1a99 n GLY 261 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1a99 n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a99 s VAL 262 N -2.43 4.22 -0.44 1.61 1.01 -1.26 -5.00 120.40 118.11 1a99 s VAL 262 Ca 0.00 1.54 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 1a99 s VAL 262 Cb 0.00 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1a99 s VAL 262 CO 0.00 -0.03 0.29 0.21 0.00 0.00 0.00 175.10 175.57 1a99 s ASN 263 N 1.61 5.54 -0.11 3.32 3.04 -1.26 -4.65 114.94 122.43 1a99 s ASN 263 Ca 0.56 -1.90 -0.05 0.00 0.04 0.00 0.00 52.86 51.51 1a99 s ASN 263 Cb -0.24 -1.95 -0.04 0.00 -1.54 0.00 0.00 41.25 37.48 1a99 s ASN 263 CO 0.21 -0.63 0.07 -0.69 -3.04 0.00 0.00 177.10 173.02 1a99 s VAL 264 N 1.30 4.90 0.30 -5.21 1.01 -1.26 -0.20 120.40 121.23 1a99 s VAL 264 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1a99 s VAL 264 Cb -0.25 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1a99 s VAL 264 CO -0.02 0.60 0.11 -0.55 0.00 0.00 0.00 175.10 175.24 1a99 s SER 265 N -0.84 1.66 0.06 3.32 0.15 -0.33 -4.67 113.70 113.05 1a99 s SER 265 Ca 0.13 -1.45 0.03 0.00 0.70 0.00 0.00 55.95 55.36 1a99 s SER 265 Cb -0.12 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1a99 s SER 265 CO 0.03 -0.76 -0.10 0.12 1.20 0.00 0.00 173.24 173.73 1a99 s PHE 266 N -3.58 0.86 -0.01 3.44 5.36 -1.26 -1.10 117.98 121.70 1a99 s PHE 266 Ca 0.36 -0.53 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1a99 s PHE 266 Cb 0.07 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1a99 s PHE 266 CO 0.15 -0.04 0.02 0.45 -1.46 0.00 0.00 175.22 174.34 1a99 s SER 267 N -1.78 -0.01 -0.58 6.13 0.15 0.55 -4.99 113.70 113.16 1a99 s SER 267 Ca -0.05 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.54 1a99 s SER 267 Cb -0.09 0.03 0.15 0.00 -1.71 0.00 0.00 66.02 64.41 1a99 s SER 267 CO 0.01 -0.02 0.47 -0.63 1.20 0.00 0.00 173.24 174.27 1a99 s ILE 268 N 0.11 4.53 0.54 6.45 1.01 -1.26 -1.88 121.20 130.70 1a99 s ILE 268 Ca -0.01 -2.12 -0.19 0.00 0.00 0.00 0.00 60.65 58.33 1a99 s ILE 268 Cb -0.01 -3.92 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 1a99 s ILE 268 CO -0.00 -0.86 0.46 -2.65 0.00 0.00 0.00 174.94 171.89 1a99 n PRO 269 N 4.48 0.48 0.31 2.79 -0.02 -1.26 -4.88 135.00 136.90 1a99 n PRO 269 Ca -0.01 0.18 0.19 0.00 -2.02 0.00 0.00 63.50 61.85 1a99 n PRO 269 Cb 0.41 -1.60 1.02 0.00 -0.02 0.00 0.00 33.50 33.32 1a99 n PRO 269 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1a99 h LYS 270 N 0.32 0.00 -0.00 -0.52 2.10 -1.19 -1.64 116.57 115.65 1a99 h LYS 270 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1a99 h LYS 270 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1a99 h LYS 270 CO 0.47 0.02 -0.04 0.39 -2.00 0.00 0.00 179.45 178.30 1a99 n GLU 271 N -3.32 0.41 0.00 0.07 4.71 -1.26 -5.01 120.64 116.24 1a99 n GLU 271 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 1a99 n GLU 271 Cb 0.13 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1a99 n GLU 271 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a99 n GLY 272 N 1.32 2.37 3.40 0.62 0.00 -0.62 -4.95 105.19 107.33 1a99 n GLY 272 Ca 0.13 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 1a99 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a99 s ALA 273 N -2.46 -0.97 0.23 4.61 0.00 -1.20 -4.56 121.76 117.41 1a99 s ALA 273 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.66 1a99 s ALA 273 Cb 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.81 1a99 s ALA 273 CO 0.00 -0.71 0.77 1.41 0.00 0.00 0.00 175.76 177.22 1a99 s MET 274 N -3.83 4.35 -0.06 0.00 1.75 -1.26 -1.50 119.30 118.76 1a99 s MET 274 Ca 0.05 0.99 0.05 0.00 -1.25 0.00 0.00 55.69 55.53 1a99 s MET 274 Cb 0.01 -2.92 -0.01 0.00 2.84 0.00 0.00 34.83 34.74 1a99 s MET 274 CO -0.08 0.40 -0.23 0.00 -0.65 0.00 0.00 175.02 174.46 1a99 s ALA 275 N -1.48 2.27 0.25 4.11 0.00 0.43 -0.94 121.76 126.40 1a99 s ALA 275 Ca 0.43 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.45 1a99 s ALA 275 Cb -0.18 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1a99 s ALA 275 CO 0.22 0.43 -0.15 -0.59 0.00 0.00 0.00 175.76 175.67 1a99 s PHE 276 N -0.23 2.02 -0.24 0.00 -0.71 -0.70 -4.51 117.98 113.60 1a99 s PHE 276 Ca -0.01 -0.48 -0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1a99 s PHE 276 Cb -0.13 -0.94 0.08 0.00 -1.21 0.00 0.00 43.02 40.81 1a99 s PHE 276 CO 0.03 0.51 0.06 -0.06 -1.34 0.00 0.00 175.22 174.42 1a99 s PHE 277 N -2.76 1.19 0.17 3.49 0.08 -1.26 -2.67 117.98 116.22 1a99 s PHE 277 Ca 0.27 -1.14 -0.27 0.00 0.12 0.00 0.00 56.93 55.91 1a99 s PHE 277 Cb -0.02 -1.23 -0.08 0.00 -0.57 0.00 0.00 43.02 41.12 1a99 s PHE 277 CO 0.11 -0.72 0.83 -0.51 -0.10 0.00 0.00 175.22 174.84 1a99 s ASP 278 N 1.80 7.46 0.12 1.36 1.01 -0.54 -0.59 116.67 127.28 1a99 s ASP 278 Ca 0.03 1.73 0.03 0.00 0.71 0.00 0.00 52.55 55.05 1a99 s ASP 278 Cb -0.17 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 1a99 s ASP 278 CO -0.16 0.16 -0.09 0.68 0.21 0.00 0.00 175.17 175.98 1a99 s VAL 279 N -1.00 0.93 -0.06 -1.27 -7.23 -0.67 -1.22 120.40 109.88 1a99 s VAL 279 Ca 0.38 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 1a99 s VAL 279 Cb -0.24 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1a99 s VAL 279 CO 0.28 -0.78 0.25 -0.36 -0.31 0.00 0.00 175.10 174.18 1a99 s PHE 280 N -3.33 3.64 0.07 2.82 0.40 -0.05 -2.98 117.98 118.55 1a99 s PHE 280 Ca 0.13 0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 57.05 1a99 s PHE 280 Cb 0.03 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1a99 s PHE 280 CO -0.02 0.69 0.24 0.00 0.70 0.00 0.00 175.22 176.83 1a99 s ALA 281 N -1.08 -0.43 -0.26 5.36 0.00 -0.48 -0.97 121.76 123.91 1a99 s ALA 281 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1a99 s ALA 281 Cb -0.14 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1a99 s ALA 281 CO 0.09 -0.46 -0.03 1.41 0.00 0.00 0.00 175.76 176.76 1a99 s MET 282 N -3.24 2.86 0.20 0.00 1.75 -1.26 -1.78 119.30 117.83 1a99 s MET 282 Ca 0.00 -0.97 -0.32 0.00 -1.25 0.00 0.00 55.69 53.15 1a99 s MET 282 Cb 0.02 -3.06 -0.14 0.00 2.84 0.00 0.00 34.83 34.49 1a99 s MET 282 CO -0.08 -0.42 1.37 -2.30 -0.65 0.00 0.00 175.02 172.95 1a99 n PRO 283 N 4.70 1.80 0.20 4.11 -0.02 -1.26 -1.32 135.00 143.21 1a99 n PRO 283 Ca -0.16 0.64 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1a99 n PRO 283 Cb 0.47 -2.28 0.55 0.00 -0.02 0.00 0.00 33.50 32.22 1a99 n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a99 h ALA 284 N 4.27 1.14 -0.29 3.55 0.00 -1.02 0.29 119.26 127.21 1a99 h ALA 284 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1a99 h ALA 284 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1a99 h ALA 284 CO 0.76 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1a99 n ASP 285 N -2.29 3.84 -4.74 0.00 5.75 -1.26 -4.85 116.55 112.99 1a99 n ASP 285 Ca -0.01 -3.09 -0.42 0.00 -0.01 0.00 0.00 54.79 51.27 1a99 n ASP 285 Cb 0.23 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 1a99 n ASP 285 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a99 s ALA 286 N -2.87 3.73 -0.09 2.12 0.00 0.09 -4.94 121.76 119.80 1a99 s ALA 286 Ca 0.43 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 1a99 s ALA 286 Cb 0.35 -3.62 -0.26 0.00 0.00 0.00 0.00 23.12 19.59 1a99 s ALA 286 CO 0.08 -0.87 0.49 1.57 0.00 0.00 0.00 175.76 177.04 1a99 h LYS 287 N 5.34 0.21 -2.71 0.00 -0.00 -1.90 -3.40 116.57 114.11 1a99 h LYS 287 Ca -0.46 -0.37 -0.79 0.00 -0.00 0.00 0.00 60.65 59.04 1a99 h LYS 287 Cb 1.22 0.14 -0.22 0.00 -0.00 0.00 0.00 32.23 33.36 1a99 h LYS 287 CO 0.82 1.05 1.47 0.09 -0.00 0.00 0.00 179.45 182.88 1a99 n ASN 288 N -3.39 6.93 -0.21 7.07 3.02 -1.26 -4.80 115.26 122.62 1a99 n ASN 288 Ca -0.27 -3.40 -0.07 0.00 -0.03 0.00 0.00 54.58 50.81 1a99 n ASN 288 Cb 1.05 -1.29 0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1a99 n ASN 288 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1a99 h LYS 289 N 4.86 0.86 -0.04 3.52 1.57 -1.95 -1.54 116.57 123.86 1a99 h LYS 289 Ca 0.47 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1a99 h LYS 289 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1a99 h LYS 289 CO 1.37 0.71 0.02 0.22 -0.57 0.00 0.00 179.45 181.20 1a99 h ASP 290 N 0.81 0.05 -0.47 0.86 3.58 -1.98 -1.07 116.42 118.19 1a99 h ASP 290 Ca 0.20 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1a99 h ASP 290 Cb 0.14 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1a99 h ASP 290 CO -0.02 0.11 0.27 -0.33 -2.88 0.00 0.00 179.24 176.39 1a99 h GLU 291 N -0.02 0.68 -0.39 0.28 3.07 -1.87 -2.14 114.58 114.19 1a99 h GLU 291 Ca 0.01 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 1a99 h GLU 291 Cb 0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1a99 h GLU 291 CO -0.00 0.51 -0.30 0.00 -1.40 0.00 0.00 179.01 177.81 1a99 h ALA 292 N 1.60 0.56 -0.42 3.43 0.00 -0.92 -2.46 119.26 121.06 1a99 h ALA 292 Ca 0.18 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1a99 h ALA 292 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1a99 h ALA 292 CO -0.03 0.61 0.04 1.88 0.00 0.00 0.00 179.25 181.75 1a99 h TYR 293 N 0.71 0.67 -0.48 0.00 0.05 -0.75 -1.40 116.97 115.76 1a99 h TYR 293 Ca 0.07 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1a99 h TYR 293 Cb 0.89 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1a99 h TYR 293 CO 0.06 0.61 0.22 1.96 -1.05 0.00 0.00 178.16 179.96 1a99 h GLN 294 N 0.62 0.71 -0.43 4.88 4.20 -1.23 -1.11 115.11 122.75 1a99 h GLN 294 Ca 0.13 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1a99 h GLN 294 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1a99 h GLN 294 CO 0.01 0.61 -0.05 0.35 -0.67 0.00 0.00 178.83 179.07 1a99 h PHE 295 N 0.64 0.79 -0.41 2.96 3.57 -0.97 -0.60 116.94 122.91 1a99 h PHE 295 Ca 0.16 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1a99 h PHE 295 Cb 0.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1a99 h PHE 295 CO -0.00 0.76 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.71 1a99 h LEU 296 N 0.68 0.76 -0.84 0.59 3.38 -0.95 -1.33 115.31 117.61 1a99 h LEU 296 Ca 0.13 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1a99 h LEU 296 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1a99 h LEU 296 CO 0.03 0.93 -0.16 0.78 0.09 0.00 0.00 178.44 180.10 1a99 h ASN 297 N 0.59 0.69 -0.94 -0.43 2.35 -1.02 -1.34 115.58 115.48 1a99 h ASN 297 Ca 0.11 -0.22 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1a99 h ASN 297 Cb 0.57 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.69 1a99 h ASN 297 CO 0.03 0.86 0.61 0.22 -1.65 0.00 0.00 177.43 177.50 1a99 h TYR 298 N 0.62 1.08 0.00 1.19 3.20 -0.83 -0.34 116.97 121.89 1a99 h TYR 298 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1a99 h TYR 298 Cb 0.62 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1a99 h TYR 298 CO 0.03 0.54 0.00 -0.07 -1.64 0.00 0.00 178.16 177.02 1a99 h LEU 299 N 1.04 0.00 0.00 2.82 3.38 -0.48 -3.05 115.31 119.02 1a99 h LEU 299 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1a99 h LEU 299 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a99 h LEU 299 CO -0.17 0.00 -0.03 0.18 0.09 0.00 0.00 178.44 178.51 1a99 n LEU 300 N -2.45 0.77 -4.68 1.67 4.77 -0.16 -4.42 117.00 112.52 1a99 n LEU 300 Ca 0.05 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 1a99 n LEU 300 Cb 0.43 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1a99 n LEU 300 CO 0.30 -0.17 1.23 -0.13 -1.33 0.00 0.00 177.39 177.30 1a99 s ARG 301 N -3.10 4.23 0.41 3.23 0.52 -1.11 -4.90 118.95 118.23 1a99 s ARG 301 Ca 0.11 2.06 0.18 0.00 -0.52 0.00 0.00 55.73 57.56 1a99 s ARG 301 Cb 0.13 -3.74 1.09 0.00 0.52 0.00 0.00 34.95 32.95 1a99 s ARG 301 CO 0.60 -0.71 1.82 -1.35 0.02 0.00 0.00 175.30 175.69 1a99 h PRO 302 N 8.52 0.40 -0.19 3.54 0.11 -1.90 -1.59 132.00 140.89 1a99 h PRO 302 Ca -0.38 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.53 1a99 h PRO 302 Cb 1.17 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1a99 h PRO 302 CO 0.93 0.26 -0.57 0.38 -0.21 0.00 0.00 178.00 178.79 1a99 h ASP 303 N 0.41 0.83 -0.00 -2.05 2.03 -1.93 -2.63 116.42 113.08 1a99 h ASP 303 Ca 0.52 -0.59 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1a99 h ASP 303 Cb 1.30 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1a99 h ASP 303 CO -0.22 1.27 -0.01 0.58 -1.03 0.00 0.00 179.24 179.84 1a99 h VAL 304 N 0.43 0.98 -0.08 4.15 2.07 -1.57 -1.47 116.25 120.75 1a99 h VAL 304 Ca -0.02 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 1a99 h VAL 304 Cb 1.20 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1a99 h VAL 304 CO 0.12 0.00 -0.71 -0.37 0.02 0.00 0.00 177.57 176.63 1a99 h VAL 305 N -0.01 1.38 -0.46 2.57 -1.51 -1.61 -2.50 116.25 114.11 1a99 h VAL 305 Ca 0.00 -2.11 -0.07 0.00 -1.23 0.00 0.00 66.70 63.30 1a99 h VAL 305 Cb 0.02 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 1a99 h VAL 305 CO -0.01 0.64 0.01 0.00 -1.23 0.00 0.00 177.57 176.97 1a99 h ALA 306 N 0.95 1.16 -0.50 5.19 0.00 -1.44 0.34 119.26 124.96 1a99 h ALA 306 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1a99 h ALA 306 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1a99 h ALA 306 CO 0.12 0.55 0.16 1.25 0.00 0.00 0.00 179.25 181.33 1a99 h HIS 307 N 0.70 0.80 0.28 0.00 6.17 -1.14 -1.43 115.15 120.54 1a99 h HIS 307 Ca 0.14 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 1a99 h HIS 307 Cb 0.42 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.12 1a99 h HIS 307 CO 0.02 0.70 -0.14 0.82 0.71 0.00 0.00 177.93 180.04 1a99 h ILE 308 N 0.68 0.72 -0.28 6.26 2.04 -0.92 -2.28 117.51 123.72 1a99 h ILE 308 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1a99 h ILE 308 Cb 0.27 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1a99 h ILE 308 CO -0.01 0.00 0.25 0.28 0.00 0.00 0.00 178.15 178.68 1a99 h SER 309 N -0.38 0.00 0.45 1.72 0.02 -0.74 -0.65 113.55 113.97 1a99 h SER 309 Ca -0.04 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 1a99 h SER 309 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1a99 h SER 309 CO 0.06 0.00 -0.62 0.44 -1.14 0.00 0.00 176.83 175.57 1a99 h ASP 310 N 0.00 0.18 0.31 3.07 3.32 -0.67 -1.66 116.42 120.97 1a99 h ASP 310 Ca 0.13 -0.11 -0.32 0.00 0.02 0.00 0.00 57.03 56.75 1a99 h ASP 310 Cb 0.64 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1a99 h ASP 310 CO -0.00 0.75 -1.95 1.41 -1.72 0.00 0.00 179.24 177.73 1a99 n HIS 311 N -3.85 0.71 0.04 4.55 8.25 -0.55 -4.48 115.22 119.88 1a99 n HIS 311 Ca -0.02 0.24 0.10 0.00 -0.26 0.00 0.00 57.72 57.79 1a99 n HIS 311 Cb 0.62 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.51 1a99 n HIS 311 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a99 n VAL 312 N -3.01 0.33 -2.44 1.59 0.31 -0.36 -4.95 118.33 109.80 1a99 n VAL 312 Ca -0.24 -0.53 -0.14 0.00 -0.01 0.00 0.00 64.34 63.42 1a99 n VAL 312 Cb 1.08 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 1a99 n VAL 312 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1a99 n PHE 313 N -2.47 -0.89 -4.55 3.52 3.72 -0.62 -4.61 117.46 111.56 1a99 n PHE 313 Ca -0.03 0.12 -0.30 0.00 -0.05 0.00 0.00 57.45 57.19 1a99 n PHE 313 Cb 0.58 -3.13 -0.13 0.00 -0.94 0.00 0.00 39.48 35.87 1a99 n PHE 313 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1a99 s TYR 314 N -2.79 2.49 0.07 1.38 2.02 -1.25 -4.08 117.35 115.18 1a99 s TYR 314 Ca 0.07 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 1a99 s TYR 314 Cb -0.03 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1a99 s TYR 314 CO 0.09 0.29 1.12 0.00 -1.57 0.00 0.00 175.55 175.48 1a99 s ALA 315 N -0.99 3.33 0.67 3.71 0.00 -1.24 -4.54 121.76 122.69 1a99 s ALA 315 Ca 0.15 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1a99 s ALA 315 Cb -0.10 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1a99 s ALA 315 CO 0.06 -0.34 0.94 0.54 0.00 0.00 0.00 175.76 176.96 1a99 s ASN 316 N 0.83 4.76 0.00 0.00 4.22 -1.26 -1.82 114.94 121.67 1a99 s ASN 316 Ca 0.55 0.04 0.21 0.00 -2.14 0.00 0.00 52.86 51.52 1a99 s ASN 316 Cb -0.27 -0.67 0.53 0.00 1.28 0.00 0.00 41.25 42.12 1a99 s ASN 316 CO 0.30 -1.56 1.45 0.00 -2.04 0.00 0.00 177.10 175.25 1a99 n ALA 317 N -2.72 2.42 -2.63 3.54 0.00 -0.87 -4.85 120.51 115.41 1a99 n ALA 317 Ca 0.10 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 1a99 n ALA 317 Cb 0.60 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1a99 n ALA 317 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1a99 s ASN 318 N -1.26 6.37 0.23 0.00 3.84 -1.26 0.08 114.94 122.94 1a99 s ASN 318 Ca 0.39 -0.27 -0.07 0.00 0.21 0.00 0.00 52.86 53.13 1a99 s ASN 318 Cb 0.22 -2.43 0.26 0.00 -0.55 0.00 0.00 41.25 38.75 1a99 s ASN 318 CO 0.29 -1.14 1.88 0.50 -2.79 0.00 0.00 177.10 175.84 1a99 h LYS 319 N 9.21 1.05 -0.22 0.43 3.64 -0.31 -2.54 116.57 127.84 1a99 h LYS 319 Ca -0.26 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 1a99 h LYS 319 Cb 1.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1a99 h LYS 319 CO 1.05 0.70 -0.25 0.00 -2.27 0.00 0.00 179.45 178.69 1a99 h ALA 320 N 1.36 1.16 0.00 5.00 0.00 -1.87 -3.14 119.26 121.78 1a99 h ALA 320 Ca 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a99 h ALA 320 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a99 h ALA 320 CO -0.12 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1a99 h ALA 321 N 1.37 1.00 -0.53 0.00 0.00 -1.70 -3.36 119.26 116.03 1a99 h ALA 321 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1a99 h ALA 321 Cb 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.32 1a99 h ALA 321 CO 0.05 0.00 -0.34 1.15 0.00 0.00 0.00 179.25 180.11 1a99 h THR 322 N 0.00 0.18 -0.75 0.00 2.02 -1.53 -0.90 112.91 111.93 1a99 h THR 322 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1a99 h THR 322 Cb 0.58 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1a99 h THR 322 CO 0.00 0.00 0.50 -0.65 0.37 0.00 0.00 175.52 175.74 1a99 h PRO 323 N -0.20 0.39 -0.00 6.66 0.11 -1.83 -0.64 132.00 136.50 1a99 h PRO 323 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a99 h PRO 323 Cb 0.55 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1a99 h PRO 323 CO -0.64 0.26 -0.00 1.28 -0.21 0.00 0.00 178.00 178.69 1a99 n LEU 324 N -4.47 0.00 -4.73 2.35 4.77 -0.36 -4.84 117.00 109.72 1a99 n LEU 324 Ca 0.14 0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 1a99 n LEU 324 Cb 0.54 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1a99 n LEU 324 CO 0.33 0.00 0.53 -0.69 -1.33 0.00 0.00 177.39 176.23 1a99 s VAL 325 N -2.58 4.73 0.45 4.08 1.01 -0.25 -4.83 120.40 123.00 1a99 s VAL 325 Ca 0.28 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.80 1a99 s VAL 325 Cb 0.20 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1a99 s VAL 325 CO 0.46 0.32 0.75 -1.54 0.00 0.00 0.00 175.10 175.09 1a99 n SER 326 N 3.05 0.02 0.21 3.32 3.41 -1.26 -4.61 113.62 117.76 1a99 n SER 326 Ca -0.00 0.93 0.06 0.00 -0.26 0.00 0.00 58.87 59.61 1a99 n SER 326 Cb 0.50 -1.23 0.48 0.00 -0.26 0.00 0.00 64.21 63.71 1a99 n SER 326 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a99 h ALA 327 N 1.00 1.34 -0.89 7.33 0.00 -1.94 -0.51 119.26 125.59 1a99 h ALA 327 Ca -0.43 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1a99 h ALA 327 Cb 1.37 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1a99 h ALA 327 CO 0.53 0.34 0.58 1.49 0.00 0.00 0.00 179.25 182.19 1a99 h GLU 328 N 0.00 1.13 0.00 0.00 4.81 -1.96 -0.94 114.58 117.62 1a99 h GLU 328 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1a99 h GLU 328 Cb 0.56 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1a99 h GLU 328 CO 0.04 0.75 -0.06 0.28 -0.73 0.00 0.00 179.01 179.28 1a99 h VAL 329 N 1.16 0.18 -0.34 0.32 2.07 -1.80 -3.30 116.25 114.54 1a99 h VAL 329 Ca 0.34 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1a99 h VAL 329 Cb -0.08 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1a99 h VAL 329 CO -0.09 0.06 0.38 -0.09 0.02 0.00 0.00 177.57 177.85 1a99 h ARG 330 N -1.00 0.00 -0.55 1.57 2.43 -1.15 -1.43 114.38 114.25 1a99 h ARG 330 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a99 h ARG 330 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1a99 h ARG 330 CO -0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1a99 n GLU 331 N -3.71 2.81 -2.85 0.20 1.02 -0.36 -4.72 120.64 113.03 1a99 n GLU 331 Ca 0.05 -2.38 -0.42 0.00 -0.02 0.00 0.00 57.16 54.39 1a99 n GLU 331 Cb 0.53 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 1a99 n GLU 331 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1a99 s ASN 332 N -1.00 6.79 0.28 1.62 3.84 -0.54 -4.92 114.94 121.01 1a99 s ASN 332 Ca 0.37 0.88 0.23 0.00 0.21 0.00 0.00 52.86 54.55 1a99 s ASN 332 Cb 0.19 -2.45 1.06 0.00 -0.55 0.00 0.00 41.25 39.50 1a99 s ASN 332 CO 0.25 -0.64 1.69 -2.65 -2.79 0.00 0.00 177.10 172.95 1a99 n PRO 333 N 6.28 0.17 -0.02 0.43 -0.02 -1.26 -1.09 135.00 139.49 1a99 n PRO 333 Ca 0.06 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1a99 n PRO 333 Cb 0.48 -1.91 0.46 0.00 -0.02 0.00 0.00 33.50 32.51 1a99 n PRO 333 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a99 n GLY 334 N -0.56 0.16 0.88 -1.23 0.00 -1.26 -3.01 105.19 100.17 1a99 n GLY 334 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1a99 n GLY 334 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a99 n ILE 335 N 0.32 0.00 -3.93 -0.61 5.41 -0.49 -4.83 119.36 115.22 1a99 n ILE 335 Ca 0.18 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.63 1a99 n ILE 335 Cb 0.37 -1.34 -0.14 0.00 -0.71 0.00 0.00 39.64 37.83 1a99 n ILE 335 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1a99 s TYR 336 N -2.00 3.21 0.46 1.39 1.51 -0.25 -4.26 117.35 117.42 1a99 s TYR 336 Ca 0.00 -3.18 -0.22 0.00 -1.01 0.00 0.00 57.07 52.66 1a99 s TYR 336 Cb 0.00 -2.77 -0.08 0.00 -0.11 0.00 0.00 41.96 39.01 1a99 s TYR 336 CO 0.00 -0.71 1.10 -1.25 -1.11 0.00 0.00 175.55 173.59 1a99 s PRO 337 N -0.49 3.81 0.88 -1.71 0.04 -1.16 -4.22 135.00 132.15 1a99 s PRO 337 Ca 0.18 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1a99 s PRO 337 Cb -0.22 -2.31 0.12 0.00 0.04 0.00 0.00 34.50 32.13 1a99 s PRO 337 CO -0.03 -0.47 1.09 -1.25 0.04 0.00 0.00 177.00 176.38 1a99 s PRO 338 N -2.85 1.34 0.45 0.56 0.04 -1.26 -4.75 135.00 128.54 1a99 s PRO 338 Ca 0.64 0.90 0.15 0.00 0.04 0.00 0.00 61.00 62.73 1a99 s PRO 338 Cb -0.23 -1.81 1.08 0.00 0.04 0.00 0.00 34.50 33.57 1a99 s PRO 338 CO 0.28 -2.20 2.01 0.00 0.04 0.00 0.00 177.00 177.13 1a99 h ALA 339 N -1.52 2.05 0.00 8.56 0.00 -1.98 -1.19 119.26 125.17 1a99 h ALA 339 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a99 h ALA 339 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a99 h ALA 339 CO 0.54 -0.16 -0.02 0.38 0.00 0.00 0.00 179.25 179.99 1a99 h ASP 340 N 0.33 0.00 0.45 0.00 2.03 -2.00 -2.04 116.42 115.19 1a99 h ASP 340 Ca 0.23 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.23 1a99 h ASP 340 Cb 0.49 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.97 1a99 h ASP 340 CO -0.06 0.02 -1.60 0.58 -1.03 0.00 0.00 179.24 177.15 1a99 h VAL 341 N 0.00 1.05 0.00 4.15 2.07 -1.69 -3.25 116.25 118.58 1a99 h VAL 341 Ca -0.00 -2.75 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 1a99 h VAL 341 Cb 0.89 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1a99 h VAL 341 CO 0.00 0.77 -0.14 0.03 0.02 0.00 0.00 177.57 178.25 1a99 h ARG 342 N 0.05 0.00 -0.12 1.57 3.08 -1.19 -2.32 114.38 115.45 1a99 h ARG 342 Ca -0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1a99 h ARG 342 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.04 1a99 h ARG 342 CO 0.13 0.14 -0.36 0.00 -1.07 0.00 0.00 179.97 178.82 1a99 h ALA 343 N 1.86 1.18 -0.93 0.04 0.00 -1.40 -3.05 119.26 116.97 1a99 h ALA 343 Ca -0.00 -0.37 -0.49 0.00 0.00 0.00 0.00 54.91 54.04 1a99 h ALA 343 Cb 0.40 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 17.82 1a99 h ALA 343 CO 0.02 0.55 0.63 0.36 0.00 0.00 0.00 179.25 180.80 1a99 n LYS 344 N -4.07 2.19 -4.18 0.00 2.85 -0.87 -4.94 118.16 109.14 1a99 n LYS 344 Ca -0.01 -2.81 -0.28 0.00 -1.05 0.00 0.00 58.31 54.16 1a99 n LYS 344 Cb 0.44 -2.10 -0.08 0.00 -0.65 0.00 0.00 35.03 32.64 1a99 n LYS 344 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1a99 s LEU 345 N -3.09 3.38 0.17 -5.58 1.43 -1.16 -3.21 118.68 110.62 1a99 s LEU 345 Ca 0.53 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1a99 s LEU 345 Cb 0.45 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1a99 s LEU 345 CO 0.09 0.11 -0.10 0.72 0.23 0.00 0.00 176.35 177.41 1a99 s PHE 346 N -1.60 1.42 0.18 0.29 -0.12 -0.56 -4.95 117.98 112.64 1a99 s PHE 346 Ca 0.27 -0.74 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 1a99 s PHE 346 Cb -0.10 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 1a99 s PHE 346 CO 0.19 0.13 -0.19 0.95 -0.05 0.00 0.00 175.22 176.24 1a99 s THR 347 N -3.26 2.64 0.39 -4.49 -4.23 -1.26 -0.42 115.64 105.01 1a99 s THR 347 Ca 0.20 -1.86 -0.24 0.00 -1.18 0.00 0.00 61.69 58.61 1a99 s THR 347 Cb 0.02 -2.27 -0.09 0.00 1.34 0.00 0.00 72.50 71.50 1a99 s THR 347 CO 0.03 -0.09 1.05 -0.76 -0.54 0.00 0.00 174.62 174.32 1a99 s LEU 348 N -2.64 4.16 0.13 4.79 1.43 -1.26 -4.93 118.68 120.36 1a99 s LEU 348 Ca 0.21 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.44 1a99 s LEU 348 Cb -0.08 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1a99 s LEU 348 CO 0.11 -0.48 -0.09 -0.75 0.23 0.00 0.00 176.35 175.37 1a99 s LYS 349 N -2.45 2.13 0.08 1.70 2.47 -1.26 -4.83 119.74 117.57 1a99 s LYS 349 Ca 0.57 -1.09 -0.30 0.00 -1.56 0.00 0.00 55.97 53.59 1a99 s LYS 349 Cb -0.22 -2.27 -0.05 0.00 -1.46 0.00 0.00 37.83 33.82 1a99 s LYS 349 CO 0.28 0.49 1.09 0.08 0.16 0.00 0.00 175.35 177.45 1a99 s VAL 350 N -1.36 4.28 0.22 4.02 1.01 -1.26 -5.04 120.40 122.27 1a99 s VAL 350 Ca 0.23 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.99 1a99 s VAL 350 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1a99 s VAL 350 CO 0.14 0.19 0.31 -1.10 0.00 0.00 0.00 175.10 174.64 1a99 s GLN 351 N 0.59 3.32 0.70 2.72 -1.52 -1.26 -5.11 119.66 119.10 1a99 s GLN 351 Ca 0.53 -0.80 -0.11 0.00 -1.95 0.00 0.00 55.36 53.04 1a99 s GLN 351 Cb -0.26 -2.83 0.01 0.00 -0.22 0.00 0.00 33.01 29.71 1a99 s GLN 351 CO 0.30 0.44 1.06 0.16 -0.25 0.00 0.00 175.29 177.01 1a99 s ASP 352 N -3.80 5.28 0.57 5.90 -4.77 -1.26 -4.79 116.67 113.80 1a99 s ASP 352 Ca 0.34 1.66 0.29 0.00 -3.30 0.00 0.00 52.55 51.54 1a99 s ASP 352 Cb -0.09 -2.50 1.46 0.00 -1.09 0.00 0.00 42.92 40.70 1a99 s ASP 352 CO 0.28 -1.51 1.88 -0.65 0.70 0.00 0.00 175.17 175.87 1a99 h PRO 353 N -0.72 0.00 0.00 2.11 0.11 -1.99 -2.08 132.00 129.44 1a99 h PRO 353 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1a99 h PRO 353 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1a99 h PRO 353 CO 0.56 0.00 -0.00 -0.22 -0.21 0.00 0.00 178.00 178.13 1a99 h LYS 354 N 0.00 -0.00 -0.82 1.05 3.64 -1.99 -0.05 116.57 118.40 1a99 h LYS 354 Ca 0.29 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1a99 h LYS 354 Cb 1.40 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1a99 h LYS 354 CO -0.00 0.32 0.54 0.82 -2.27 0.00 0.00 179.45 178.86 1a99 h ILE 355 N -0.32 1.20 0.67 2.00 1.08 -1.77 0.39 117.51 120.75 1a99 h ILE 355 Ca -0.00 -0.37 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1a99 h ILE 355 Cb 0.32 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 1a99 h ILE 355 CO 0.00 0.20 -0.42 0.44 -0.69 0.00 0.00 178.15 177.68 1a99 h ASP 356 N 1.09 -1.06 -0.23 1.72 3.32 -1.18 0.03 116.42 120.10 1a99 h ASP 356 Ca 0.30 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.45 1a99 h ASP 356 Cb -0.10 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1a99 h ASP 356 CO -0.07 -0.65 -0.00 -0.09 -1.72 0.00 0.00 179.24 176.71 1a99 h ARG 357 N -1.03 0.07 0.03 3.56 2.43 -0.59 -0.42 114.38 118.43 1a99 h ARG 357 Ca -0.08 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1a99 h ARG 357 Cb 0.83 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 1a99 h ARG 357 CO 0.08 0.04 -0.23 0.28 -1.51 0.00 0.00 179.97 178.64 1a99 h VAL 358 N 0.07 0.48 -0.49 0.20 2.07 -0.86 -0.57 116.25 117.14 1a99 h VAL 358 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1a99 h VAL 358 Cb 0.14 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1a99 h VAL 358 CO -0.19 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.50 1a99 h ARG 359 N -0.37 0.35 -0.54 1.57 2.43 -0.77 0.45 114.38 117.50 1a99 h ARG 359 Ca 0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1a99 h ARG 359 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1a99 h ARG 359 CO -0.19 0.23 0.06 1.15 -1.51 0.00 0.00 179.97 179.72 1a99 h THR 360 N 0.36 1.26 -0.03 0.20 2.02 -0.76 -1.39 112.91 114.57 1a99 h THR 360 Ca 0.23 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1a99 h THR 360 Cb 0.24 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1a99 h THR 360 CO -0.23 0.36 0.01 -0.09 0.37 0.00 0.00 175.52 175.94 1a99 h ARG 361 N 0.79 0.04 -1.01 6.66 2.43 -0.77 -2.42 114.38 120.10 1a99 h ARG 361 Ca 0.16 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1a99 h ARG 361 Cb 0.45 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1a99 h ARG 361 CO 0.02 0.23 0.65 0.00 -1.51 0.00 0.00 179.97 179.36 1a99 h ALA 362 N 0.81 1.43 -0.62 2.80 0.00 -0.82 -1.89 119.26 120.97 1a99 h ALA 362 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1a99 h ALA 362 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1a99 h ALA 362 CO -0.00 0.39 0.05 2.35 0.00 0.00 0.00 179.25 182.04 1a99 h TRP 363 N 1.14 1.14 -0.32 0.00 2.91 -1.13 -1.03 115.95 118.65 1a99 h TRP 363 Ca 0.45 -0.17 -0.06 0.00 1.13 0.00 0.00 58.89 60.23 1a99 h TRP 363 Cb 0.25 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 1a99 h TRP 363 CO -0.00 0.98 -0.08 1.15 -1.03 0.00 0.00 178.44 179.46 1a99 h THR 364 N 0.98 1.22 0.43 2.65 2.02 -0.86 -0.89 112.91 118.47 1a99 h THR 364 Ca 0.18 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1a99 h THR 364 Cb 0.50 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1a99 h THR 364 CO 0.02 0.31 -0.20 0.50 0.37 0.00 0.00 175.52 176.52 1a99 h LYS 365 N 0.50 -0.55 -0.63 6.66 3.64 -0.92 -1.69 116.57 123.57 1a99 h LYS 365 Ca 0.10 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1a99 h LYS 365 Cb 0.44 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1a99 h LYS 365 CO 0.02 -0.26 0.15 0.28 -2.27 0.00 0.00 179.45 177.37 1a99 h VAL 366 N -0.80 0.63 0.20 2.00 2.07 -1.00 -2.65 116.25 116.70 1a99 h VAL 366 Ca -0.06 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1a99 h VAL 366 Cb 0.54 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1a99 h VAL 366 CO 0.10 0.05 -0.09 0.11 0.02 0.00 0.00 177.57 177.75 1a99 h LYS 367 N 0.28 -0.26 -0.97 1.57 1.57 -1.12 -3.21 116.57 114.44 1a99 h LYS 367 Ca 0.33 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.34 1a99 h LYS 367 Cb 0.50 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 1a99 h LYS 367 CO -0.41 0.03 0.55 0.77 -0.57 0.00 0.00 179.45 179.82 1a99 h SER 368 N -0.54 0.64 0.00 0.86 0.02 -1.06 -3.51 113.55 109.96 1a99 h SER 368 Ca -0.03 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1a99 h SER 368 Cb 0.40 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1a99 h SER 368 CO 0.04 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.51