#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba2 s ASP 2 N 0.00 5.50 -0.15 3.14 1.01 -1.26 -4.79 116.67 120.11 1ba2 s ASP 2 Ca 0.00 2.21 -0.03 0.00 0.71 0.00 0.00 52.55 55.44 1ba2 s ASP 2 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ba2 s ASP 2 CO 0.00 -1.37 -0.06 -0.89 0.21 0.00 0.00 175.17 173.06 1ba2 s THR 3 N -1.81 3.71 -0.09 -1.27 2.01 -1.26 -1.40 115.64 115.52 1ba2 s THR 3 Ca 0.73 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1ba2 s THR 3 Cb -0.25 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1ba2 s THR 3 CO 0.30 0.50 0.00 -0.63 -0.69 0.00 0.00 174.62 174.10 1ba2 s ILE 4 N 0.40 4.33 -0.10 1.82 1.01 0.93 -3.80 121.20 125.79 1ba2 s ILE 4 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1ba2 s ILE 4 Cb -0.15 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1ba2 s ILE 4 CO 0.03 0.60 -0.08 0.00 0.00 0.00 0.00 174.94 175.49 1ba2 s ALA 5 N -0.79 2.88 -0.18 9.38 0.00 -1.09 -0.90 121.76 131.06 1ba2 s ALA 5 Ca 0.12 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1ba2 s ALA 5 Cb -0.11 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1ba2 s ALA 5 CO 0.02 0.43 -0.19 -1.17 0.00 0.00 0.00 175.76 174.85 1ba2 s LEU 6 N -0.33 2.17 -0.35 0.00 2.96 0.47 -0.17 118.68 123.44 1ba2 s LEU 6 Ca 0.04 -0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 1ba2 s LEU 6 Cb -0.13 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1ba2 s LEU 6 CO 0.02 0.01 0.17 -0.69 -1.32 0.00 0.00 176.35 174.54 1ba2 s VAL 7 N 1.26 4.49 -0.04 1.68 1.01 0.46 -1.37 120.40 127.89 1ba2 s VAL 7 Ca 0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1ba2 s VAL 7 Cb -0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1ba2 s VAL 7 CO -0.12 -0.12 0.22 0.54 0.00 0.00 0.00 175.10 175.63 1ba2 s VAL 8 N 1.56 5.37 0.23 2.92 0.11 -0.31 -1.05 120.40 129.22 1ba2 s VAL 8 Ca 0.03 0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 1ba2 s VAL 8 Cb -0.18 -3.52 0.18 0.00 -1.53 0.00 0.00 36.38 31.33 1ba2 s VAL 8 CO 0.06 0.47 1.77 0.77 -3.33 0.00 0.00 175.10 174.83 1ba2 h SER 9 N 4.36 0.41 -4.62 3.54 4.64 -1.78 -0.49 113.55 119.60 1ba2 h SER 9 Ca -0.52 0.07 0.12 0.00 -0.47 0.00 0.00 61.79 60.99 1ba2 h SER 9 Cb 1.21 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 1ba2 h SER 9 CO 0.63 0.23 0.52 0.28 -0.87 0.00 0.00 176.83 177.62 1ba2 s THR 10 N -6.06 0.00 -0.17 2.95 -1.32 -1.26 0.90 115.64 110.68 1ba2 s THR 10 Ca -0.13 -0.01 0.15 0.00 -1.21 0.00 0.00 61.69 60.50 1ba2 s THR 10 Cb 0.18 -1.02 0.37 0.00 -1.51 0.00 0.00 72.50 70.53 1ba2 s THR 10 CO 0.76 0.00 1.22 0.18 -2.21 0.00 0.00 174.62 174.57 1ba2 n LEU 11 N -0.24 2.71 -2.08 9.08 4.77 -1.26 -4.71 117.00 125.27 1ba2 n LEU 11 Ca -0.08 -3.43 -0.16 0.00 -0.03 0.00 0.00 56.01 52.31 1ba2 n LEU 11 Cb 0.61 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.43 1ba2 n LEU 11 CO 0.10 1.00 1.15 -0.46 -1.33 0.00 0.00 177.39 177.86 1ba2 n ASN 12 N -1.24 4.11 -3.71 -1.43 0.23 -1.26 -4.73 115.26 107.23 1ba2 n ASN 12 Ca 0.19 -3.37 -0.12 0.00 -0.53 0.00 0.00 54.58 50.74 1ba2 n ASN 12 Cb 0.70 -0.79 -0.10 0.00 -2.08 0.00 0.00 39.78 37.52 1ba2 n ASN 12 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1ba2 s ASN 13 N -1.06 -0.48 0.46 0.53 2.47 -1.26 -5.05 114.94 110.54 1ba2 s ASN 13 Ca 0.53 0.91 0.17 0.00 0.42 0.00 0.00 52.86 54.88 1ba2 s ASN 13 Cb 0.44 0.88 1.13 0.00 -1.45 0.00 0.00 41.25 42.25 1ba2 s ASN 13 CO 0.11 -0.16 2.00 -0.65 -3.72 0.00 0.00 177.10 174.68 1ba2 h PRO 14 N 5.86 0.28 -0.00 0.43 0.11 -1.98 -1.69 132.00 135.00 1ba2 h PRO 14 Ca -0.29 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.83 1ba2 h PRO 14 Cb 1.18 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1ba2 h PRO 14 CO 0.24 0.18 -0.40 0.35 -0.21 0.00 0.00 178.00 178.16 1ba2 h PHE 15 N 0.28 -1.14 -0.07 0.65 3.57 -1.98 -0.00 116.94 118.26 1ba2 h PHE 15 Ca 0.25 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 1ba2 h PHE 15 Cb 0.61 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1ba2 h PHE 15 CO -0.00 -0.48 -0.54 0.74 -2.23 0.00 0.00 178.31 175.80 1ba2 h PHE 16 N -0.56 0.23 -0.87 0.41 0.04 -1.62 -0.86 116.94 113.71 1ba2 h PHE 16 Ca 0.05 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1ba2 h PHE 16 Cb 0.64 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 1ba2 h PHE 16 CO -0.41 0.68 0.46 0.28 -0.60 0.00 0.00 178.31 178.72 1ba2 h VAL 17 N 0.14 1.26 -0.61 -0.55 2.07 -1.15 -0.64 116.25 116.77 1ba2 h VAL 17 Ca 0.00 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1ba2 h VAL 17 Cb 0.99 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ba2 h VAL 17 CO 0.08 0.29 0.06 0.28 0.02 0.00 0.00 177.57 178.30 1ba2 h SER 18 N 1.23 1.00 -0.21 0.57 0.02 -0.56 0.16 113.55 115.75 1ba2 h SER 18 Ca 0.31 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ba2 h SER 18 Cb 0.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1ba2 h SER 18 CO -0.05 1.03 0.07 0.25 -1.14 0.00 0.00 176.83 176.99 1ba2 h LEU 19 N 0.93 0.08 -0.46 5.07 6.46 -0.67 0.33 115.31 127.06 1ba2 h LEU 19 Ca 0.18 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.00 1ba2 h LEU 19 Cb 0.48 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1ba2 h LEU 19 CO 0.02 0.08 0.23 0.50 -0.62 0.00 0.00 178.44 178.65 1ba2 h LYS 20 N 0.17 0.45 -0.86 1.25 3.64 -0.78 -0.65 116.57 119.79 1ba2 h LYS 20 Ca 0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ba2 h LYS 20 Cb 0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1ba2 h LYS 20 CO -0.10 0.30 0.51 -0.44 -2.27 0.00 0.00 179.45 177.45 1ba2 h ASP 21 N 0.46 1.04 -0.47 4.20 3.32 -0.03 -0.73 116.42 124.21 1ba2 h ASP 21 Ca 0.20 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1ba2 h ASP 21 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1ba2 h ASP 21 CO -0.14 0.81 -0.13 1.23 -1.72 0.00 0.00 179.24 179.29 1ba2 h GLY 22 N 1.18 1.03 0.93 2.75 0.00 -0.57 -1.32 103.07 107.08 1ba2 h GLY 22 Ca 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1ba2 h GLY 22 CO -0.06 0.76 0.08 0.00 0.00 0.00 0.00 176.54 177.33 1ba2 h ALA 23 N 1.00 0.51 -0.26 3.60 0.00 -0.72 -2.13 119.26 121.26 1ba2 h ALA 23 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ba2 h ALA 23 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ba2 h ALA 23 CO 0.05 0.21 0.16 0.37 0.00 0.00 0.00 179.25 180.03 1ba2 h GLN 24 N 0.49 0.31 -0.56 0.00 5.75 -0.98 0.16 115.11 120.27 1ba2 h GLN 24 Ca 0.12 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1ba2 h GLN 24 Cb 0.34 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1ba2 h GLN 24 CO 0.00 0.21 0.32 -0.22 -2.65 0.00 0.00 178.83 176.49 1ba2 h LYS 25 N 0.32 0.78 -0.47 1.69 3.64 -1.20 0.35 116.57 121.68 1ba2 h LYS 25 Ca 0.10 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1ba2 h LYS 25 Cb -0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1ba2 h LYS 25 CO -0.04 0.59 0.11 1.49 -2.27 0.00 0.00 179.45 179.33 1ba2 h GLU 26 N 0.76 0.76 -0.59 1.90 4.57 -1.17 -0.54 114.58 120.27 1ba2 h GLU 26 Ca 0.20 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1ba2 h GLU 26 Cb 0.03 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1ba2 h GLU 26 CO -0.03 0.75 0.34 0.00 -1.18 0.00 0.00 179.01 178.89 1ba2 h ALA 27 N 0.98 0.76 0.05 2.92 0.00 -0.63 0.14 119.26 123.47 1ba2 h ALA 27 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ba2 h ALA 27 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ba2 h ALA 27 CO 0.00 0.25 -0.09 -0.44 0.00 0.00 0.00 179.25 178.97 1ba2 h ASP 28 N 0.80 -0.26 -0.92 0.00 3.32 -0.05 0.13 116.42 119.44 1ba2 h ASP 28 Ca 0.21 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.41 1ba2 h ASP 28 Cb 0.01 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 1ba2 h ASP 28 CO -0.04 -0.14 0.55 0.50 -1.72 0.00 0.00 179.24 178.39 1ba2 h LYS 29 N -0.19 0.84 -0.01 3.56 3.64 -0.50 -1.98 116.57 121.94 1ba2 h LYS 29 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ba2 h LYS 29 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ba2 h LYS 29 CO -0.06 0.56 -0.08 1.28 -2.27 0.00 0.00 179.45 178.87 1ba2 n LEU 30 N -4.70 0.97 0.00 5.20 4.77 -0.02 -4.94 117.00 118.28 1ba2 n LEU 30 Ca 0.17 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1ba2 n LEU 30 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ba2 n LEU 30 CO 0.26 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ba2 n GLY 31 N 1.21 0.52 3.93 -0.72 0.00 -0.65 -5.06 105.19 104.42 1ba2 n GLY 31 Ca 0.17 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1ba2 n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ba2 s TYR 32 N -2.00 3.44 -0.15 1.61 2.02 -0.06 -4.55 117.35 117.67 1ba2 s TYR 32 Ca 0.00 0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.63 1ba2 s TYR 32 Cb 0.00 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1ba2 s TYR 32 CO 0.00 0.51 0.41 1.21 -1.57 0.00 0.00 175.55 176.12 1ba2 s ASN 33 N -3.25 6.56 -0.20 2.29 3.04 -0.49 -4.21 114.94 118.68 1ba2 s ASN 33 Ca 0.34 0.66 -0.05 0.00 0.04 0.00 0.00 52.86 53.85 1ba2 s ASN 33 Cb -0.11 -2.25 -0.03 0.00 -1.54 0.00 0.00 41.25 37.33 1ba2 s ASN 33 CO 0.28 0.00 0.00 -0.22 -3.04 0.00 0.00 177.10 174.12 1ba2 s LEU 34 N 0.77 3.29 -0.23 3.21 2.96 -1.26 -0.05 118.68 127.37 1ba2 s LEU 34 Ca 0.22 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1ba2 s LEU 34 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1ba2 s LEU 34 CO 0.08 0.08 0.12 -0.69 -1.32 0.00 0.00 176.35 174.62 1ba2 s VAL 35 N 0.92 5.04 -0.15 1.68 1.01 -0.08 -4.97 120.40 123.85 1ba2 s VAL 35 Ca 0.01 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1ba2 s VAL 35 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ba2 s VAL 35 CO 0.02 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 1ba2 s VAL 36 N 1.06 2.33 -0.10 2.92 1.01 -1.26 -0.40 120.40 125.95 1ba2 s VAL 36 Ca 0.06 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1ba2 s VAL 36 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1ba2 s VAL 36 CO 0.04 0.53 -0.23 -0.76 0.00 0.00 0.00 175.10 174.68 1ba2 s LEU 37 N 0.80 2.07 -0.22 3.92 1.43 -0.47 -5.00 118.68 121.21 1ba2 s LEU 37 Ca -0.07 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1ba2 s LEU 37 Cb -0.15 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1ba2 s LEU 37 CO -0.01 0.14 0.49 -0.62 0.23 0.00 0.00 176.35 176.58 1ba2 s ASP 38 N 0.44 6.48 0.15 2.29 2.15 -1.26 -1.16 116.67 125.75 1ba2 s ASP 38 Ca -0.17 0.58 0.26 0.00 0.43 0.00 0.00 52.55 53.65 1ba2 s ASP 38 Cb -0.17 -2.27 0.74 0.00 -0.30 0.00 0.00 42.92 40.91 1ba2 s ASP 38 CO 0.07 -0.20 1.67 -1.20 -0.17 0.00 0.00 175.17 175.34 1ba2 n SER 39 N 5.01 0.66 -3.27 -0.34 7.64 -0.19 -4.92 113.62 118.20 1ba2 n SER 39 Ca -0.05 0.41 -0.23 0.00 1.01 0.00 0.00 58.87 60.00 1ba2 n SER 39 Cb 0.50 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1ba2 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba2 n GLN 40 N -2.08 -4.10 -1.44 1.43 6.02 -1.00 -1.85 117.38 114.36 1ba2 n GLN 40 Ca 0.05 0.64 -0.16 0.00 -0.01 0.00 0.00 57.00 57.52 1ba2 n GLN 40 Cb 0.41 -5.42 -0.07 0.00 1.02 0.00 0.00 30.24 26.19 1ba2 n GLN 40 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ba2 n ASN 41 N -2.41 -4.47 -4.38 1.08 3.02 0.26 -4.95 115.26 103.41 1ba2 n ASN 41 Ca -0.05 0.39 -0.35 0.00 -0.03 0.00 0.00 54.58 54.54 1ba2 n ASN 41 Cb 0.57 -3.94 -0.13 0.00 -0.61 0.00 0.00 39.78 35.67 1ba2 n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ba2 s ASN 42 N -2.37 4.63 0.26 6.41 3.84 -0.77 -5.02 114.94 121.92 1ba2 s ASN 42 Ca 0.00 -0.30 -0.04 0.00 0.21 0.00 0.00 52.86 52.73 1ba2 s ASN 42 Cb 0.00 -1.80 0.31 0.00 -0.55 0.00 0.00 41.25 39.21 1ba2 s ASN 42 CO 0.00 -0.00 1.87 1.55 -2.79 0.00 0.00 177.10 177.73 1ba2 h PRO 43 N 7.99 1.11 -0.45 0.43 0.13 -1.93 -0.90 132.00 138.38 1ba2 h PRO 43 Ca -0.39 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 1ba2 h PRO 43 Cb 1.17 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1ba2 h PRO 43 CO 0.60 0.83 -0.02 0.00 -0.23 0.00 0.00 178.00 179.17 1ba2 h ALA 44 N 1.34 0.61 -0.69 -0.56 0.00 -1.95 -2.07 119.26 115.94 1ba2 h ALA 44 Ca 0.28 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ba2 h ALA 44 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ba2 h ALA 44 CO -0.04 0.43 0.29 -0.22 0.00 0.00 0.00 179.25 179.70 1ba2 h LYS 45 N 0.65 1.00 -0.23 0.00 1.63 -1.65 -1.04 116.57 116.93 1ba2 h LYS 45 Ca 0.12 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1ba2 h LYS 45 Cb 0.53 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1ba2 h LYS 45 CO 0.03 0.81 0.11 1.49 -3.45 0.00 0.00 179.45 178.43 1ba2 h GLU 46 N 0.99 0.23 -0.60 1.90 4.81 -0.92 0.08 114.58 121.07 1ba2 h GLU 46 Ca 0.23 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1ba2 h GLU 46 Cb 0.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1ba2 h GLU 46 CO -0.02 0.15 0.17 1.25 -0.73 0.00 0.00 179.01 179.83 1ba2 h LEU 47 N 0.24 0.88 -1.00 1.64 5.85 -1.07 -2.34 115.31 119.51 1ba2 h LEU 47 Ca 0.09 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1ba2 h LEU 47 Cb 0.02 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1ba2 h LEU 47 CO -0.06 0.86 0.21 0.00 -0.34 0.00 0.00 178.44 179.11 1ba2 h ALA 48 N 1.05 1.20 -0.25 1.25 0.00 -0.83 -0.73 119.26 120.95 1ba2 h ALA 48 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ba2 h ALA 48 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ba2 h ALA 48 CO -0.00 0.57 0.09 -0.91 0.00 0.00 0.00 179.25 178.99 1ba2 h ASN 49 N 0.90 0.36 -0.32 0.00 2.35 -0.78 0.11 115.58 118.21 1ba2 h ASN 49 Ca 0.21 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1ba2 h ASN 49 Cb 0.24 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1ba2 h ASN 49 CO -0.01 0.45 0.21 0.58 -1.65 0.00 0.00 177.43 177.01 1ba2 h VAL 50 N 0.25 1.07 -0.55 2.81 2.07 -1.11 -1.36 116.25 119.44 1ba2 h VAL 50 Ca 0.08 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ba2 h VAL 50 Cb 0.22 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1ba2 h VAL 50 CO -0.00 0.08 0.18 1.56 0.02 0.00 0.00 177.57 179.40 1ba2 h GLN 51 N 0.43 0.34 -0.38 1.57 4.20 -0.95 -0.24 115.11 120.08 1ba2 h GLN 51 Ca 0.12 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1ba2 h GLN 51 Cb -0.04 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1ba2 h GLN 51 CO -0.03 0.22 0.03 -0.44 -0.67 0.00 0.00 178.83 177.94 1ba2 h ASP 52 N 0.35 0.55 0.25 1.46 3.32 -0.74 -1.77 116.42 119.84 1ba2 h ASP 52 Ca 0.27 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1ba2 h ASP 52 Cb 0.33 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ba2 h ASP 52 CO -0.29 0.60 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.40 1ba2 h LEU 53 N 0.57 0.17 -0.67 1.55 3.38 0.06 -1.83 115.31 118.53 1ba2 h LEU 53 Ca 0.12 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1ba2 h LEU 53 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ba2 h LEU 53 CO 0.01 0.52 -0.43 0.71 0.09 0.00 0.00 178.44 179.34 1ba2 h THR 54 N 0.14 1.31 -0.01 0.22 1.35 -0.27 -2.17 112.91 113.48 1ba2 h THR 54 Ca 0.02 -1.61 -0.17 0.00 -0.55 0.00 0.00 66.41 64.10 1ba2 h THR 54 Cb 0.70 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1ba2 h THR 54 CO 0.05 0.50 -0.78 -0.37 -0.25 0.00 0.00 175.52 174.68 1ba2 h VAL 55 N 0.44 1.50 -0.08 6.82 -1.51 -1.28 -3.12 116.25 119.01 1ba2 h VAL 55 Ca 0.03 -2.50 -0.12 0.00 -1.23 0.00 0.00 66.70 62.88 1ba2 h VAL 55 Cb 0.93 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1ba2 h VAL 55 CO 0.08 0.72 -0.49 0.03 -1.23 0.00 0.00 177.57 176.68 1ba2 h ARG 56 N 0.07 0.22 -1.15 5.19 3.08 -1.20 -3.48 114.38 117.10 1ba2 h ARG 56 Ca -0.02 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ba2 h ARG 56 Cb 1.37 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1ba2 h ARG 56 CO 0.11 0.66 0.00 0.41 -1.07 0.00 0.00 179.97 180.09 1ba2 n GLY 57 N -0.00 0.72 3.83 0.04 0.00 -0.83 -5.08 105.19 103.87 1ba2 n GLY 57 Ca -0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1ba2 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ba2 s THR 58 N -2.21 4.58 0.15 2.61 2.01 -1.19 -5.01 115.64 116.58 1ba2 s THR 58 Ca 0.00 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.24 1ba2 s THR 58 Cb 0.00 -3.77 -0.18 0.00 0.01 0.00 0.00 72.50 68.57 1ba2 s THR 58 CO 0.00 0.04 1.33 0.11 -0.69 0.00 0.00 174.62 175.41 1ba2 h LYS 59 N 2.92 0.13 -3.03 4.92 1.79 -1.95 -3.46 116.57 117.88 1ba2 h LYS 59 Ca -0.48 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 57.71 1ba2 h LYS 59 Cb 1.19 0.05 -0.20 0.00 -1.58 0.00 0.00 32.23 31.69 1ba2 h LYS 59 CO 0.65 0.98 -0.28 0.42 -1.08 0.00 0.00 179.45 180.14 1ba2 s ILE 60 N -3.00 0.05 -0.20 1.86 -1.09 -1.26 -4.25 121.20 113.30 1ba2 s ILE 60 Ca -0.02 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1ba2 s ILE 60 Cb 0.10 -0.60 0.02 0.00 -1.58 0.00 0.00 42.46 40.40 1ba2 s ILE 60 CO 0.83 -0.24 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.92 1ba2 s LEU 61 N -1.23 2.50 -0.31 2.97 2.96 -0.41 -2.66 118.68 122.50 1ba2 s LEU 61 Ca -0.13 -0.73 -0.15 0.00 -0.22 0.00 0.00 54.13 52.90 1ba2 s LEU 61 Cb -0.05 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 1ba2 s LEU 61 CO 0.04 -0.04 0.37 -0.76 -1.32 0.00 0.00 176.35 174.64 1ba2 s LEU 62 N 1.30 4.23 -0.05 -0.68 1.43 0.76 -0.52 118.68 125.14 1ba2 s LEU 62 Ca 0.03 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1ba2 s LEU 62 Cb -0.14 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1ba2 s LEU 62 CO -0.10 -0.26 -0.11 -0.51 0.23 0.00 0.00 176.35 175.60 1ba2 s ILE 63 N 2.05 0.99 -0.60 -0.59 2.07 0.31 -0.40 121.20 125.04 1ba2 s ILE 63 Ca 0.13 -0.41 -0.13 0.00 -1.41 0.00 0.00 60.65 58.83 1ba2 s ILE 63 Cb -0.16 -0.92 0.15 0.00 0.13 0.00 0.00 42.46 41.66 1ba2 s ILE 63 CO 0.11 0.32 0.52 0.21 -1.91 0.00 0.00 174.94 174.19 1ba2 s ASN 64 N 0.61 6.13 0.36 4.50 3.04 -0.22 -1.27 114.94 128.09 1ba2 s ASN 64 Ca -0.12 -2.13 -0.28 0.00 0.04 0.00 0.00 52.86 50.37 1ba2 s ASN 64 Cb -0.14 -2.13 -0.11 0.00 -1.54 0.00 0.00 41.25 37.32 1ba2 s ASN 64 CO 0.03 -0.71 1.47 -2.65 -3.04 0.00 0.00 177.10 172.20 1ba2 n PRO 65 N 4.71 2.57 0.13 0.43 -0.02 -1.26 -2.38 135.00 139.18 1ba2 n PRO 65 Ca -0.04 0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1ba2 n PRO 65 Cb 0.42 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 1ba2 n PRO 65 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ba2 h THR 66 N 2.93 0.79 -3.58 3.45 1.35 -1.94 -3.44 112.91 112.47 1ba2 h THR 66 Ca -0.49 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.16 1ba2 h THR 66 Cb 1.25 0.79 -0.27 0.00 -1.73 0.00 0.00 68.15 68.19 1ba2 h THR 66 CO 0.66 0.00 -0.64 -0.13 -0.25 0.00 0.00 175.52 175.16 1ba2 s ARG 67 N -6.15 0.08 0.16 4.72 0.52 -1.26 -5.05 118.95 111.97 1ba2 s ARG 67 Ca -0.14 0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1ba2 s ARG 67 Cb 0.06 0.04 0.09 0.00 0.52 0.00 0.00 34.95 35.65 1ba2 s ARG 67 CO 0.65 -0.01 1.70 0.77 0.02 0.00 0.00 175.30 178.43 1ba2 h SER 68 N 5.99 -0.14 1.30 0.23 0.02 -1.85 -2.13 113.55 116.98 1ba2 h SER 68 Ca -0.25 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ba2 h SER 68 Cb 1.21 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1ba2 h SER 68 CO 0.47 -0.03 0.00 0.44 -1.14 0.00 0.00 176.83 176.56 1ba2 h ASP 69 N 0.11 0.00 0.66 3.07 3.32 -1.96 -1.40 116.42 120.23 1ba2 h ASP 69 Ca 0.18 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.97 1ba2 h ASP 69 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1ba2 h ASP 69 CO -0.30 0.00 -1.44 0.00 -1.72 0.00 0.00 179.24 175.78 1ba2 h ALA 70 N 2.28 0.57 0.00 3.45 0.00 -1.81 -3.38 119.26 120.37 1ba2 h ALA 70 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1ba2 h ALA 70 Cb 0.65 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ba2 h ALA 70 CO 0.00 1.42 0.00 1.55 0.00 0.00 0.00 179.25 182.22 1ba2 n VAL 71 N -3.20 0.21 -0.12 0.00 3.14 -0.95 -4.24 118.33 113.17 1ba2 n VAL 71 Ca -0.11 0.05 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 1ba2 n VAL 71 Cb 1.01 -0.62 -0.04 0.00 -1.06 0.00 0.00 33.84 33.14 1ba2 n VAL 71 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1ba2 h GLY 72 N 4.35 -0.46 0.51 7.55 0.00 -1.75 -1.12 103.07 112.15 1ba2 h GLY 72 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1ba2 h GLY 72 CO 0.00 -0.19 -0.09 -0.57 0.00 0.00 0.00 176.54 175.69 1ba2 h ASN 73 N -0.31 -0.30 -0.56 0.19 -1.24 -1.88 0.20 115.58 111.68 1ba2 h ASN 73 Ca 0.15 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.29 1ba2 h ASN 73 Cb 0.57 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.74 1ba2 h ASN 73 CO -0.56 -0.12 0.29 0.00 -1.29 0.00 0.00 177.43 175.75 1ba2 h ALA 74 N 1.12 0.73 -0.39 1.57 0.00 -1.72 -0.81 119.26 119.76 1ba2 h ALA 74 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ba2 h ALA 74 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ba2 h ALA 74 CO -0.24 -0.06 0.21 0.28 0.00 0.00 0.00 179.25 179.44 1ba2 h VAL 75 N 0.55 1.15 -0.97 0.00 2.07 -0.63 -2.06 116.25 116.35 1ba2 h VAL 75 Ca 0.25 -0.39 0.13 0.00 0.82 0.00 0.00 66.70 67.51 1ba2 h VAL 75 Cb 0.17 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1ba2 h VAL 75 CO -0.18 0.16 0.61 0.11 0.02 0.00 0.00 177.57 178.30 1ba2 h LYS 76 N 0.49 0.88 -0.31 1.57 1.57 -0.28 0.22 116.57 120.71 1ba2 h LYS 76 Ca 0.14 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1ba2 h LYS 76 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1ba2 h LYS 76 CO -0.02 0.58 -0.33 0.52 -0.57 0.00 0.00 179.45 179.63 1ba2 h MET 77 N 0.90 0.68 -0.24 3.15 2.86 -0.68 -0.71 114.93 120.90 1ba2 h MET 77 Ca 0.48 -0.32 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1ba2 h MET 77 Cb 0.56 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1ba2 h MET 77 CO -0.25 0.92 -0.40 0.00 1.06 0.00 0.00 176.91 178.24 1ba2 h ALA 78 N 1.06 0.86 -0.26 6.32 0.00 -0.44 -2.27 119.26 124.51 1ba2 h ALA 78 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ba2 h ALA 78 Cb 0.84 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ba2 h ALA 78 CO 0.07 0.64 0.09 -0.91 0.00 0.00 0.00 179.25 179.14 1ba2 h ASN 79 N 0.47 0.10 0.70 0.00 -0.26 -0.17 -1.30 115.58 115.12 1ba2 h ASN 79 Ca 0.04 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1ba2 h ASN 79 Cb 0.90 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1ba2 h ASN 79 CO 0.08 0.09 0.00 1.56 -1.06 0.00 0.00 177.43 178.10 1ba2 h GLN 80 N 0.21 0.00 -0.41 0.81 4.20 -1.00 -0.36 115.11 118.55 1ba2 h GLN 80 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ba2 h GLN 80 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ba2 h GLN 80 CO -0.12 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.04 1ba2 n ALA 81 N -1.81 2.44 -3.52 3.87 0.00 -0.77 -4.95 120.51 115.77 1ba2 n ALA 81 Ca 0.02 -0.88 -0.21 0.00 0.00 0.00 0.00 53.44 52.37 1ba2 n ALA 81 Cb 0.22 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.80 1ba2 n ALA 81 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ba2 n ASN 82 N 1.07 -4.65 -4.17 0.00 4.05 -0.15 -5.00 115.26 106.41 1ba2 n ASN 82 Ca 0.18 -0.57 -0.34 0.00 0.45 0.00 0.00 54.58 54.31 1ba2 n ASN 82 Cb 0.48 -5.04 -0.15 0.00 1.23 0.00 0.00 39.78 36.30 1ba2 n ASN 82 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1ba2 s ILE 83 N -3.33 2.70 0.29 -1.44 1.01 -0.56 -5.03 121.20 114.82 1ba2 s ILE 83 Ca 0.35 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1ba2 s ILE 83 Cb -0.16 -2.39 -0.12 0.00 0.01 0.00 0.00 42.46 39.80 1ba2 s ILE 83 CO 0.73 0.18 1.48 -2.65 0.00 0.00 0.00 174.94 174.68 1ba2 n PRO 84 N 4.63 2.38 -4.59 2.79 -0.02 -1.26 -4.25 135.00 134.68 1ba2 n PRO 84 Ca -0.16 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 1ba2 n PRO 84 Cb 0.46 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 1ba2 n PRO 84 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ba2 s VAL 85 N -0.25 3.60 -0.12 -1.45 1.01 -1.26 -1.28 120.40 120.65 1ba2 s VAL 85 Ca 0.64 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1ba2 s VAL 85 Cb -0.56 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1ba2 s VAL 85 CO 0.52 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 175.36 1ba2 s ILE 86 N -0.12 1.65 0.10 2.22 1.01 0.32 -0.75 121.20 125.64 1ba2 s ILE 86 Ca 0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1ba2 s ILE 86 Cb -0.13 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1ba2 s ILE 86 CO 0.03 0.47 0.31 0.42 0.00 0.00 0.00 174.94 176.17 1ba2 s THR 87 N 0.92 5.25 -0.10 2.92 -4.23 -0.55 -0.53 115.64 119.32 1ba2 s THR 87 Ca -0.07 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1ba2 s THR 87 Cb -0.15 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1ba2 s THR 87 CO -0.01 0.10 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.23 1ba2 s LEU 88 N -2.53 1.87 0.00 4.79 1.43 -0.39 -0.57 118.68 123.28 1ba2 s LEU 88 Ca 0.38 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1ba2 s LEU 88 Cb -0.13 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1ba2 s LEU 88 CO 0.25 0.07 0.00 -0.67 0.23 0.00 0.00 176.35 176.22 1ba2 n ASP 89 N 3.95 0.00 -4.84 2.29 2.03 0.88 -4.30 116.55 116.55 1ba2 n ASP 89 Ca -0.20 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.75 1ba2 n ASP 89 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1ba2 n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ba2 s ARG 90 N 0.00 3.63 0.53 -0.67 0.52 -1.26 -4.87 118.95 116.83 1ba2 s ARG 90 Ca 0.00 -0.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 1ba2 s ARG 90 Cb 0.00 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.16 1ba2 s ARG 90 CO 0.00 0.66 1.02 -0.65 0.02 0.00 0.00 175.30 176.35 1ba2 s GLN 91 N -0.69 3.70 -0.23 3.54 -0.21 -1.26 -4.45 119.66 120.05 1ba2 s GLN 91 Ca 0.13 1.13 -0.19 0.00 0.02 0.00 0.00 55.36 56.45 1ba2 s GLN 91 Cb -0.12 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.77 1ba2 s GLN 91 CO 0.03 -0.49 0.57 0.00 -2.12 0.00 0.00 175.29 173.27 1ba2 s ALA 92 N -2.42 3.57 0.30 6.09 0.00 -1.26 -4.17 121.76 123.87 1ba2 s ALA 92 Ca 0.62 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1ba2 s ALA 92 Cb -0.13 -2.92 0.45 0.00 0.00 0.00 0.00 23.12 20.52 1ba2 s ALA 92 CO 0.30 -0.63 1.95 1.15 0.00 0.00 0.00 175.76 178.54 1ba2 h THR 93 N 5.27 1.21 -3.75 0.00 2.02 -1.60 -3.44 112.91 112.63 1ba2 h THR 93 Ca -0.30 -0.44 -0.44 0.00 0.77 0.00 0.00 66.41 66.00 1ba2 h THR 93 Cb 1.14 0.10 -0.20 0.00 -1.74 0.00 0.00 68.15 67.45 1ba2 h THR 93 CO 0.75 0.22 -0.78 -0.54 0.37 0.00 0.00 175.52 175.54 1ba2 s LYS 94 N -5.82 0.97 0.00 6.66 -0.14 -1.26 -5.07 119.74 115.08 1ba2 s LYS 94 Ca -0.11 -1.13 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 1ba2 s LYS 94 Cb 0.17 -0.96 0.00 0.00 -1.68 0.00 0.00 37.83 35.36 1ba2 s LYS 94 CO 0.79 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.99 1ba2 n GLY 95 N 0.87 3.00 3.63 -3.33 0.00 -1.26 -4.25 105.19 103.85 1ba2 n GLY 95 Ca -0.18 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1ba2 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ba2 s GLU 96 N -3.61 4.09 -0.13 1.61 2.02 -1.26 -5.02 118.70 116.39 1ba2 s GLU 96 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 54.97 55.73 1ba2 s GLU 96 Cb 0.00 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.56 1ba2 s GLU 96 CO 0.00 -0.54 -0.21 0.08 0.02 0.00 0.00 175.26 174.61 1ba2 s VAL 97 N 2.78 2.22 0.17 2.63 1.01 -1.26 -4.42 120.40 123.54 1ba2 s VAL 97 Ca 0.32 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1ba2 s VAL 97 Cb -0.15 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1ba2 s VAL 97 CO 0.09 0.55 1.47 0.58 0.00 0.00 0.00 175.10 177.79 1ba2 h VAL 98 N 5.74 1.32 -1.93 2.92 2.07 -1.33 -3.47 116.25 121.57 1ba2 h VAL 98 Ca -0.28 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1ba2 h VAL 98 Cb 1.21 1.82 -0.21 0.00 -1.52 0.00 0.00 31.29 32.59 1ba2 h VAL 98 CO 0.53 0.58 0.22 -0.55 0.02 0.00 0.00 177.57 178.37 1ba2 s SER 99 N -6.95 -0.65 -0.12 0.57 0.15 -1.23 -4.51 113.70 100.96 1ba2 s SER 99 Ca -0.08 0.95 0.02 0.00 0.70 0.00 0.00 55.95 57.54 1ba2 s SER 99 Cb 0.11 0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1ba2 s SER 99 CO 0.85 -0.43 -0.19 -2.28 1.20 0.00 0.00 173.24 172.39 1ba2 s HIS 100 N -0.55 2.68 -0.16 3.44 2.46 -0.28 -1.48 115.29 121.40 1ba2 s HIS 100 Ca -0.05 -1.01 -0.00 0.00 0.47 0.00 0.00 55.06 54.47 1ba2 s HIS 100 Cb -0.02 -1.79 -0.00 0.00 -0.13 0.00 0.00 32.58 30.63 1ba2 s HIS 100 CO 0.05 -0.42 -0.14 0.42 -2.47 0.00 0.00 174.74 172.18 1ba2 s ILE 101 N 0.52 2.71 0.18 0.89 1.01 0.27 -1.42 121.20 125.35 1ba2 s ILE 101 Ca -0.12 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 1ba2 s ILE 101 Cb -0.17 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.20 1ba2 s ILE 101 CO 0.05 0.51 0.57 0.00 0.00 0.00 0.00 174.94 176.06 1ba2 s ALA 102 N 0.92 -1.31 0.26 9.38 0.00 -0.99 -0.08 121.76 129.95 1ba2 s ALA 102 Ca -0.03 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1ba2 s ALA 102 Cb -0.15 0.85 -0.13 0.00 0.00 0.00 0.00 23.12 23.69 1ba2 s ALA 102 CO -0.02 -0.79 1.38 0.43 0.00 0.00 0.00 175.76 176.76 1ba2 n SER 103 N -0.36 2.74 -4.55 0.00 7.64 -1.26 0.13 113.62 117.96 1ba2 n SER 103 Ca -0.14 1.15 -0.40 0.00 1.01 0.00 0.00 58.87 60.50 1ba2 n SER 103 Cb 0.64 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 1ba2 n SER 103 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ba2 s ASP 104 N 0.17 5.75 0.41 6.43 -1.08 -0.19 -4.61 116.67 123.55 1ba2 s ASP 104 Ca 0.65 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.78 1ba2 s ASP 104 Cb -0.63 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.14 1ba2 s ASP 104 CO 0.52 -2.09 1.82 0.78 0.52 0.00 0.00 175.17 176.72 1ba2 h ASN 105 N 12.25 0.00 -0.25 -0.34 2.35 -1.89 -1.64 115.58 126.06 1ba2 h ASN 105 Ca -0.26 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1ba2 h ASN 105 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1ba2 h ASN 105 CO 1.25 0.30 -0.14 0.58 -1.65 0.00 0.00 177.43 177.78 1ba2 h VAL 106 N 0.00 1.30 -0.71 2.81 2.07 -1.88 -1.98 116.25 117.86 1ba2 h VAL 106 Ca -0.00 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1ba2 h VAL 106 Cb 0.75 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1ba2 h VAL 106 CO 0.04 0.39 0.46 0.25 0.02 0.00 0.00 177.57 178.73 1ba2 h LEU 107 N 0.27 0.79 -0.58 2.57 5.85 -1.79 -2.07 115.31 120.36 1ba2 h LEU 107 Ca 0.05 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1ba2 h LEU 107 Cb 0.65 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1ba2 h LEU 107 CO 0.04 0.57 0.26 1.23 -0.34 0.00 0.00 178.44 180.20 1ba2 h GLY 108 N 0.94 0.82 1.00 3.75 0.00 -1.18 0.18 103.07 108.58 1ba2 h GLY 108 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ba2 h GLY 108 CO -0.07 0.05 0.32 -1.33 0.00 0.00 0.00 176.54 175.51 1ba2 h GLY 109 N 0.48 0.68 0.89 4.60 0.00 -0.91 -2.18 103.07 106.62 1ba2 h GLY 109 Ca 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ba2 h GLY 109 CO -0.23 0.25 0.03 1.70 0.00 0.00 0.00 176.54 178.28 1ba2 h LYS 110 N 0.65 0.08 -0.55 4.80 3.64 -0.59 -1.32 116.57 123.29 1ba2 h LYS 110 Ca 0.18 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1ba2 h LYS 110 Cb -0.07 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.65 1ba2 h LYS 110 CO -0.04 0.17 0.04 0.82 -2.27 0.00 0.00 179.45 178.18 1ba2 h ILE 111 N -0.04 0.60 -0.25 2.00 2.04 -0.59 0.87 117.51 122.14 1ba2 h ILE 111 Ca 0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1ba2 h ILE 111 Cb 0.12 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1ba2 h ILE 111 CO -0.00 0.03 0.06 0.00 0.00 0.00 0.00 178.15 178.24 1ba2 h ALA 112 N 1.47 0.27 -0.72 1.87 0.00 -1.12 -0.75 119.26 120.28 1ba2 h ALA 112 Ca 0.28 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1ba2 h ALA 112 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ba2 h ALA 112 CO -0.43 -0.35 0.18 0.78 0.00 0.00 0.00 179.25 179.43 1ba2 h GLY 113 N 0.17 1.23 1.01 0.00 0.00 -0.63 -1.16 103.07 103.69 1ba2 h GLY 113 Ca 0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1ba2 h GLY 113 CO -0.14 0.71 0.42 -0.55 0.00 0.00 0.00 176.54 176.98 1ba2 h ASP 114 N 1.08 0.95 -0.43 0.19 3.32 -0.56 0.77 116.42 121.73 1ba2 h ASP 114 Ca 0.23 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1ba2 h ASP 114 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1ba2 h ASP 114 CO 0.00 0.77 -0.28 0.22 -1.72 0.00 0.00 179.24 178.22 1ba2 h TYR 115 N 1.05 1.11 -0.49 4.55 3.20 -0.92 -0.81 116.97 124.66 1ba2 h TYR 115 Ca 0.27 -0.30 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1ba2 h TYR 115 Cb 0.03 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1ba2 h TYR 115 CO -0.00 1.12 0.25 0.82 -1.64 0.00 0.00 178.16 178.71 1ba2 h ILE 116 N 0.79 0.96 -0.59 1.81 2.04 -0.82 -1.66 117.51 120.04 1ba2 h ILE 116 Ca 0.09 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1ba2 h ILE 116 Cb 0.87 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1ba2 h ILE 116 CO 0.08 0.09 0.07 0.00 0.00 0.00 0.00 178.15 178.39 1ba2 h ALA 117 N 1.26 1.01 -0.55 1.87 0.00 -0.49 0.22 119.26 122.57 1ba2 h ALA 117 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ba2 h ALA 117 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ba2 h ALA 117 CO -0.15 0.63 0.35 -0.22 0.00 0.00 0.00 179.25 179.85 1ba2 h LYS 118 N 0.91 0.74 0.01 0.00 3.64 -0.64 0.27 116.57 121.50 1ba2 h LYS 118 Ca 0.18 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 59.17 1ba2 h LYS 118 Cb 0.44 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1ba2 h LYS 118 CO 0.01 0.52 -2.02 1.63 -2.27 0.00 0.00 179.45 177.32 1ba2 n LYS 119 N -4.67 0.66 0.00 1.90 4.76 -0.67 -4.37 118.16 115.77 1ba2 n LYS 119 Ca 0.03 0.17 0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1ba2 n LYS 119 Cb 0.04 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.49 1ba2 n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba2 n ALA 120 N -2.68 4.23 0.00 7.82 0.00 0.75 -5.09 120.51 125.54 1ba2 n ALA 120 Ca -0.25 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1ba2 n ALA 120 Cb 1.09 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ba2 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba2 n GLY 121 N 1.46 -0.28 3.76 0.00 0.00 0.08 -4.71 105.19 105.51 1ba2 n GLY 121 Ca 0.06 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1ba2 n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ba2 s GLU 122 N -2.80 3.64 -0.54 1.61 2.56 -1.25 -2.97 118.70 118.96 1ba2 s GLU 122 Ca 0.00 2.18 0.00 0.00 0.00 0.00 0.00 54.97 57.15 1ba2 s GLU 122 Cb 0.00 -2.54 0.00 0.00 2.00 0.00 0.00 34.13 33.59 1ba2 s GLU 122 CO 0.00 -0.77 0.00 0.41 -0.56 0.00 0.00 175.26 174.34 1ba2 n GLY 123 N 0.63 0.73 3.75 -1.50 0.00 0.42 -4.98 105.19 104.24 1ba2 n GLY 123 Ca 0.06 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1ba2 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba2 n ALA 124 N 1.09 1.72 -2.63 4.61 0.00 -1.16 -4.11 120.51 120.04 1ba2 n ALA 124 Ca -0.05 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1ba2 n ALA 124 Cb 0.26 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 1ba2 n ALA 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ba2 s LYS 125 N -2.71 4.08 0.19 0.00 1.02 -1.26 -1.74 119.74 119.33 1ba2 s LYS 125 Ca 0.68 1.12 0.10 0.00 0.02 0.00 0.00 55.97 57.89 1ba2 s LYS 125 Cb -0.43 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1ba2 s LYS 125 CO 0.52 -0.88 -0.21 0.14 -0.92 0.00 0.00 175.35 174.00 1ba2 s VAL 126 N 3.63 2.15 -0.06 3.17 -7.23 -0.38 -0.49 120.40 121.19 1ba2 s VAL 126 Ca 0.46 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1ba2 s VAL 126 Cb -0.13 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1ba2 s VAL 126 CO 0.15 -0.22 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.88 1ba2 s ILE 127 N -1.90 1.68 -0.16 -0.62 1.01 -0.28 -0.43 121.20 120.50 1ba2 s ILE 127 Ca 0.20 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 1ba2 s ILE 127 Cb -0.07 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1ba2 s ILE 127 CO 0.09 0.48 -0.05 -0.70 0.00 0.00 0.00 174.94 174.75 1ba2 s GLU 128 N 0.15 3.58 -0.41 2.79 2.12 -0.69 -0.53 118.70 125.71 1ba2 s GLU 128 Ca -0.09 -0.56 -0.13 0.00 0.36 0.00 0.00 54.97 54.55 1ba2 s GLU 128 Cb -0.14 -2.89 0.04 0.00 0.26 0.00 0.00 34.13 31.40 1ba2 s GLU 128 CO 0.04 0.16 0.28 -0.51 -0.54 0.00 0.00 175.26 174.70 1ba2 s LEU 129 N 0.55 5.07 0.44 2.70 1.43 0.59 -2.14 118.68 127.32 1ba2 s LEU 129 Ca -0.04 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 1ba2 s LEU 129 Cb -0.15 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 1ba2 s LEU 129 CO 0.03 -0.48 0.80 -1.10 0.23 0.00 0.00 176.35 175.83 1ba2 s GLN 130 N 1.59 3.73 0.00 1.70 -0.21 -0.09 -0.88 119.66 125.50 1ba2 s GLN 130 Ca 0.03 0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.88 1ba2 s GLN 130 Cb -0.21 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1ba2 s GLN 130 CO 0.07 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 1ba2 n GLY 131 N -1.58 -1.35 3.66 3.09 0.00 -1.26 -0.40 105.19 107.34 1ba2 n GLY 131 Ca 0.03 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1ba2 n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba2 s ILE 132 N -0.59 3.46 0.15 -0.61 1.01 -1.26 -4.04 121.20 119.32 1ba2 s ILE 132 Ca 0.00 0.57 -0.34 0.00 0.00 0.00 0.00 60.65 60.88 1ba2 s ILE 132 Cb 0.00 -3.37 -0.15 0.00 0.01 0.00 0.00 42.46 38.96 1ba2 s ILE 132 CO 0.00 -0.05 1.50 0.00 0.00 0.00 0.00 174.94 176.39 1ba2 n ALA 133 N 7.16 0.76 0.00 9.38 0.00 -1.26 -1.82 120.51 134.73 1ba2 n ALA 133 Ca 0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1ba2 n ALA 133 Cb 0.42 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1ba2 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba2 n GLY 134 N 3.10 1.33 3.87 0.00 0.00 -1.26 -5.06 105.19 107.16 1ba2 n GLY 134 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ba2 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ba2 s THR 135 N -2.35 4.70 0.13 2.61 -4.23 -0.76 -4.97 115.64 110.78 1ba2 s THR 135 Ca 0.00 0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1ba2 s THR 135 Cb 0.00 -3.82 -0.19 0.00 1.34 0.00 0.00 72.50 69.83 1ba2 s THR 135 CO 0.00 -0.94 1.30 0.77 -0.54 0.00 0.00 174.62 175.21 1ba2 h SER 136 N 0.19 0.34 -0.14 3.99 4.64 -1.97 -2.72 113.55 117.89 1ba2 h SER 136 Ca -0.45 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1ba2 h SER 136 Cb 1.19 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1ba2 h SER 136 CO 0.62 1.14 0.09 0.00 -0.87 0.00 0.00 176.83 177.80 1ba2 h ALA 137 N 0.83 0.17 -0.42 5.18 0.00 -1.94 0.20 119.26 123.28 1ba2 h ALA 137 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ba2 h ALA 137 Cb 1.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1ba2 h ALA 137 CO 0.16 -0.35 0.04 0.00 0.00 0.00 0.00 179.25 179.10 1ba2 h ALA 138 N 1.05 0.56 0.26 0.00 0.00 -1.83 -1.16 119.26 118.14 1ba2 h ALA 138 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ba2 h ALA 138 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ba2 h ALA 138 CO -0.02 0.30 -0.13 -0.09 0.00 0.00 0.00 179.25 179.32 1ba2 h ARG 139 N 0.55 -0.34 -0.42 0.00 2.43 -1.30 -1.91 114.38 113.39 1ba2 h ARG 139 Ca 0.12 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1ba2 h ARG 139 Cb 0.42 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1ba2 h ARG 139 CO 0.01 -0.20 -0.18 0.93 -1.51 0.00 0.00 179.97 179.03 1ba2 h GLU 140 N -0.39 0.80 -0.34 0.20 5.08 -0.58 -1.56 114.58 117.81 1ba2 h GLU 140 Ca -0.04 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1ba2 h GLU 140 Cb 0.29 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1ba2 h GLU 140 CO 0.06 0.92 -0.12 0.00 -1.00 0.00 0.00 179.01 178.87 1ba2 h ARG 141 N 0.71 0.58 -0.52 2.33 3.08 -1.25 -1.73 114.38 117.59 1ba2 h ARG 141 Ca 0.11 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1ba2 h ARG 141 Cb 0.69 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1ba2 h ARG 141 CO 0.05 0.69 0.12 0.78 -1.07 0.00 0.00 179.97 180.54 1ba2 h GLY 142 N 0.95 0.90 0.97 0.04 0.00 -0.97 -2.10 103.07 102.86 1ba2 h GLY 142 Ca 0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1ba2 h GLY 142 CO 0.03 0.53 0.16 0.83 0.00 0.00 0.00 176.54 178.10 1ba2 h GLU 143 N 0.73 0.75 -0.57 4.80 5.08 -0.82 -0.35 114.58 124.20 1ba2 h GLU 143 Ca 0.16 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ba2 h GLU 143 Cb 0.35 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1ba2 h GLU 143 CO 0.00 0.70 0.32 0.78 -1.00 0.00 0.00 179.01 179.81 1ba2 h GLY 144 N 0.65 0.85 1.14 -3.84 0.00 -1.28 -1.11 103.07 99.48 1ba2 h GLY 144 Ca 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1ba2 h GLY 144 CO -0.01 0.37 0.28 -2.75 0.00 0.00 0.00 176.54 174.43 1ba2 h PHE 145 N 0.77 1.12 -0.38 5.60 3.57 -1.12 -2.18 116.94 124.31 1ba2 h PHE 145 Ca 0.20 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1ba2 h PHE 145 Cb 0.04 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1ba2 h PHE 145 CO -0.01 0.85 0.08 1.96 -2.23 0.00 0.00 178.31 178.96 1ba2 h GLN 146 N 1.07 0.55 -0.82 1.11 1.08 -0.56 0.22 115.11 117.76 1ba2 h GLN 146 Ca 0.24 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1ba2 h GLN 146 Cb 0.22 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1ba2 h GLN 146 CO -0.02 0.52 0.54 1.96 -0.95 0.00 0.00 178.83 180.88 1ba2 h GLN 147 N 0.54 1.08 -0.29 1.46 4.20 -0.66 0.14 115.11 121.59 1ba2 h GLN 147 Ca 0.13 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 1ba2 h GLN 147 Cb 0.22 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ba2 h GLN 147 CO -0.00 0.71 -0.46 0.00 -0.67 0.00 0.00 178.83 178.42 1ba2 h ALA 148 N 1.30 0.66 -0.06 3.87 0.00 -0.61 -2.03 119.26 122.39 1ba2 h ALA 148 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ba2 h ALA 148 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ba2 h ALA 148 CO -0.07 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.15 1ba2 h VAL 149 N 0.60 0.98 -0.12 0.00 2.07 -0.08 -0.03 116.25 119.67 1ba2 h VAL 149 Ca 0.04 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1ba2 h VAL 149 Cb 1.02 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1ba2 h VAL 149 CO 0.10 0.01 -0.01 0.00 0.02 0.00 0.00 177.57 177.69 1ba2 h ALA 150 N 1.04 0.09 -0.04 1.67 0.00 -0.68 -0.70 119.26 120.64 1ba2 h ALA 150 Ca 0.03 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ba2 h ALA 150 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ba2 h ALA 150 CO -0.03 -0.47 -0.44 0.00 0.00 0.00 0.00 179.25 178.31 1ba2 h ALA 151 N 1.10 1.20 -0.31 0.00 0.00 -1.20 -3.23 119.26 116.83 1ba2 h ALA 151 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ba2 h ALA 151 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ba2 h ALA 151 CO -0.10 0.57 0.00 0.72 0.00 0.00 0.00 179.25 180.44 1ba2 n HIS 152 N -4.01 0.42 -3.91 0.00 8.25 -0.04 -4.99 115.22 110.94 1ba2 n HIS 152 Ca -0.02 -0.46 -0.27 0.00 -0.26 0.00 0.00 57.72 56.72 1ba2 n HIS 152 Cb 0.48 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1ba2 n HIS 152 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ba2 n LYS 153 N 0.50 -4.20 -2.24 -0.41 4.76 -0.31 -0.44 118.16 115.82 1ba2 n LYS 153 Ca 0.11 0.50 -0.35 0.00 -2.87 0.00 0.00 58.31 55.70 1ba2 n LYS 153 Cb 0.41 -4.99 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 1ba2 n LYS 153 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ba2 s PHE 154 N -3.65 2.68 -0.64 2.13 0.08 -0.94 -3.93 117.98 113.71 1ba2 s PHE 154 Ca 0.24 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.68 1ba2 s PHE 154 Cb -0.12 -3.32 0.16 0.00 -0.57 0.00 0.00 43.02 39.17 1ba2 s PHE 154 CO 0.86 -1.62 0.59 1.21 -0.10 0.00 0.00 175.22 176.17 1ba2 s ASN 155 N -1.68 6.37 -0.70 1.36 3.04 -0.71 -4.96 114.94 117.66 1ba2 s ASN 155 Ca 0.72 -2.14 -0.27 0.00 0.04 0.00 0.00 52.86 51.21 1ba2 s ASN 155 Cb -0.25 -2.20 0.01 0.00 -1.54 0.00 0.00 41.25 37.27 1ba2 s ASN 155 CO 0.29 -0.74 1.55 -0.69 -3.04 0.00 0.00 177.10 174.46 1ba2 s VAL 156 N 1.04 3.56 0.20 -5.21 1.01 -1.26 -1.25 120.40 118.50 1ba2 s VAL 156 Ca 0.09 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1ba2 s VAL 156 Cb -0.22 -4.48 0.12 0.00 0.00 0.00 0.00 36.38 31.79 1ba2 s VAL 156 CO -0.02 -1.43 1.72 -0.07 0.00 0.00 0.00 175.10 175.30 1ba2 h LEU 157 N 14.60 1.09 -7.00 3.92 3.38 -1.11 -3.46 115.31 126.72 1ba2 h LEU 157 Ca -0.25 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1ba2 h LEU 157 Cb 1.10 -0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1ba2 h LEU 157 CO 1.26 1.03 0.29 0.00 0.09 0.00 0.00 178.44 181.11 1ba2 s ALA 158 N -5.34 -1.71 -0.22 1.53 0.00 -1.24 -5.07 121.76 109.71 1ba2 s ALA 158 Ca -0.12 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1ba2 s ALA 158 Cb 0.15 0.49 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1ba2 s ALA 158 CO 0.85 -0.64 0.21 0.45 0.00 0.00 0.00 175.76 176.63 1ba2 s SER 159 N -2.26 1.72 0.00 0.00 0.15 -1.26 -1.70 113.70 110.36 1ba2 s SER 159 Ca -0.01 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1ba2 s SER 159 Cb -0.01 0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1ba2 s SER 159 CO -0.06 -0.35 -0.06 -1.10 1.20 0.00 0.00 173.24 172.87 1ba2 s GLN 160 N 2.29 0.45 0.35 5.44 -0.21 -0.91 -4.98 119.66 122.10 1ba2 s GLN 160 Ca 0.07 -0.30 -0.27 0.00 0.02 0.00 0.00 55.36 54.89 1ba2 s GLN 160 Cb -0.15 -0.40 -0.09 0.00 1.00 0.00 0.00 33.01 33.36 1ba2 s GLN 160 CO -0.18 0.10 1.13 -2.14 -2.12 0.00 0.00 175.29 172.09 1ba2 s PRO 161 N -0.39 4.32 -0.02 2.91 0.02 -1.26 -0.91 135.00 139.67 1ba2 s PRO 161 Ca -0.00 1.79 0.04 0.00 0.02 0.00 0.00 61.00 62.85 1ba2 s PRO 161 Cb -0.03 -2.88 0.06 0.00 0.02 0.00 0.00 34.50 31.66 1ba2 s PRO 161 CO -0.00 -0.07 0.91 0.00 -0.33 0.00 0.00 177.00 177.51 1ba2 n ALA 162 N 0.53 1.81 -3.71 -1.55 0.00 0.46 -4.80 120.51 113.25 1ba2 n ALA 162 Ca 0.02 -1.19 -0.28 0.00 0.00 0.00 0.00 53.44 51.99 1ba2 n ALA 162 Cb 0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1ba2 n ALA 162 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ba2 n ASP 163 N -0.32 -3.54 -2.15 0.00 8.00 -1.15 -1.69 116.55 115.70 1ba2 n ASP 163 Ca 0.03 -0.63 -0.18 0.00 0.71 0.00 0.00 54.79 54.73 1ba2 n ASP 163 Cb 0.60 -2.92 -0.03 0.00 -0.02 0.00 0.00 41.12 38.76 1ba2 n ASP 163 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ba2 n PHE 164 N -4.10 -0.86 -4.99 1.24 3.72 -1.26 -4.53 117.46 106.68 1ba2 n PHE 164 Ca 0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.10 1ba2 n PHE 164 Cb 0.52 -3.40 -0.14 0.00 -0.94 0.00 0.00 39.48 35.51 1ba2 n PHE 164 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ba2 s ASP 165 N -2.18 3.75 0.08 4.37 2.15 -0.68 -4.61 116.67 119.55 1ba2 s ASP 165 Ca 0.00 -0.30 -0.25 0.00 0.43 0.00 0.00 52.55 52.43 1ba2 s ASP 165 Cb 0.00 -0.90 -0.16 0.00 -0.30 0.00 0.00 42.92 41.56 1ba2 s ASP 165 CO 0.00 0.30 1.69 -0.09 -0.17 0.00 0.00 175.17 176.90 1ba2 h ARG 166 N 5.69 -0.14 -0.46 4.34 2.43 -1.87 0.42 114.38 124.79 1ba2 h ARG 166 Ca -0.40 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.64 1ba2 h ARG 166 Cb 1.16 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1ba2 h ARG 166 CO 0.50 -0.07 -0.24 0.82 -1.51 0.00 0.00 179.97 179.47 1ba2 h ILE 167 N -0.18 1.27 -0.69 1.20 1.08 -1.94 -1.14 117.51 117.11 1ba2 h ILE 167 Ca -0.02 -1.41 -0.07 0.00 -0.39 0.00 0.00 64.86 62.98 1ba2 h ILE 167 Cb 0.14 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1ba2 h ILE 167 CO 0.02 0.48 0.16 0.50 -0.69 0.00 0.00 178.15 178.63 1ba2 h LYS 168 N 0.83 1.11 -0.63 2.37 3.64 -1.82 -1.00 116.57 121.07 1ba2 h LYS 168 Ca 0.10 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1ba2 h LYS 168 Cb 0.82 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1ba2 h LYS 168 CO 0.07 0.98 0.41 0.78 -2.27 0.00 0.00 179.45 179.42 1ba2 h GLY 169 N 1.08 0.89 0.77 5.01 0.00 -0.60 0.43 103.07 110.65 1ba2 h GLY 169 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1ba2 h GLY 169 CO 0.00 0.30 -0.05 -2.00 0.00 0.00 0.00 176.54 174.79 1ba2 h LEU 170 N 0.82 -0.13 -1.23 3.11 5.85 -0.99 -0.57 115.31 122.18 1ba2 h LEU 170 Ca 0.24 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ba2 h LEU 170 Cb -0.06 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ba2 h LEU 170 CO -0.07 0.13 0.33 0.78 -0.34 0.00 0.00 178.44 179.27 1ba2 h ASN 171 N -0.39 0.77 -0.12 1.25 2.35 -0.91 -0.35 115.58 118.20 1ba2 h ASN 171 Ca -0.02 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1ba2 h ASN 171 Cb 0.32 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1ba2 h ASN 171 CO 0.03 0.63 -0.20 0.58 -1.65 0.00 0.00 177.43 176.81 1ba2 h VAL 172 N 0.87 1.38 -0.78 2.81 2.07 -0.06 -2.89 116.25 119.64 1ba2 h VAL 172 Ca 0.22 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1ba2 h VAL 172 Cb 0.04 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1ba2 h VAL 172 CO -0.03 0.42 0.49 -0.03 0.02 0.00 0.00 177.57 178.44 1ba2 h MET 173 N -0.07 1.05 -0.39 1.57 1.85 -0.95 0.47 114.93 118.46 1ba2 h MET 173 Ca 0.01 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 1ba2 h MET 173 Cb 0.78 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 1ba2 h MET 173 CO 0.05 0.72 0.15 0.37 -0.40 0.00 0.00 176.91 177.80 1ba2 h GLN 174 N 1.07 0.58 -0.52 0.39 4.15 -1.08 -0.28 115.11 119.43 1ba2 h GLN 174 Ca 0.28 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 1ba2 h GLN 174 Cb -0.07 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1ba2 h GLN 174 CO -0.06 0.56 -0.12 -0.91 -1.93 0.00 0.00 178.83 176.37 1ba2 h ASN 175 N 0.48 1.02 -0.16 -0.69 2.35 -1.26 -3.05 115.58 114.27 1ba2 h ASN 175 Ca 0.13 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.42 1ba2 h ASN 175 Cb 0.20 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1ba2 h ASN 175 CO -0.01 1.14 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.61 1ba2 h LEU 176 N 0.88 0.61 -1.73 1.61 3.38 -0.75 -2.98 115.31 116.33 1ba2 h LEU 176 Ca 0.13 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ba2 h LEU 176 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ba2 h LEU 176 CO 0.05 0.84 0.19 -0.07 0.09 0.00 0.00 178.44 179.54 1ba2 h LEU 177 N 0.53 0.31 -0.58 1.67 3.38 -0.94 0.36 115.31 120.05 1ba2 h LEU 177 Ca 0.08 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1ba2 h LEU 177 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1ba2 h LEU 177 CO 0.05 0.22 -0.65 0.71 0.09 0.00 0.00 178.44 178.87 1ba2 h THR 178 N 0.37 1.40 0.08 0.22 1.35 -1.47 -2.88 112.91 111.97 1ba2 h THR 178 Ca 0.11 -2.07 -0.28 0.00 -0.55 0.00 0.00 66.41 63.63 1ba2 h THR 178 Cb 0.00 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1ba2 h THR 178 CO -0.02 0.61 -1.37 0.00 -0.25 0.00 0.00 175.52 174.48 1ba2 h ALA 179 N 1.13 0.31 -2.42 6.62 0.00 -1.27 -3.41 119.26 120.23 1ba2 h ALA 179 Ca -0.01 -1.06 -0.60 0.00 0.00 0.00 0.00 54.91 53.24 1ba2 h ALA 179 Cb 1.17 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.71 1ba2 h ALA 179 CO 0.10 1.18 -0.76 0.72 0.00 0.00 0.00 179.25 180.49 1ba2 n HIS 180 N -3.40 1.91 0.57 0.00 8.25 0.12 -4.94 115.22 117.73 1ba2 n HIS 180 Ca -0.11 -3.93 0.10 0.00 -0.26 0.00 0.00 57.72 53.52 1ba2 n HIS 180 Cb 1.02 -0.39 0.41 0.00 1.12 0.00 0.00 29.99 32.14 1ba2 n HIS 180 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ba2 n PRO 181 N 1.60 0.06 -0.08 -0.41 -0.04 -1.09 -2.74 135.00 132.30 1ba2 n PRO 181 Ca 0.25 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1ba2 n PRO 181 Cb 0.43 -1.59 0.38 0.00 -0.04 0.00 0.00 33.50 32.68 1ba2 n PRO 181 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ba2 n ASP 182 N -1.70 1.72 -4.59 3.54 5.75 -1.26 -4.97 116.55 115.04 1ba2 n ASP 182 Ca 0.04 -1.70 -0.44 0.00 -0.01 0.00 0.00 54.79 52.68 1ba2 n ASP 182 Cb 0.23 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1ba2 n ASP 182 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1ba2 n VAL 183 N 0.36 2.06 -0.03 2.12 3.14 -1.11 -4.83 118.33 120.03 1ba2 n VAL 183 Ca 0.16 -0.50 -0.02 0.00 -2.96 0.00 0.00 64.34 61.02 1ba2 n VAL 183 Cb 0.34 -1.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.02 1ba2 n VAL 183 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ba2 n GLN 184 N 0.61 2.36 -3.71 1.45 6.02 0.36 -4.80 117.38 119.66 1ba2 n GLN 184 Ca 0.09 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 1ba2 n GLN 184 Cb 0.34 -1.19 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 1ba2 n GLN 184 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ba2 s ALA 185 N -2.24 -0.92 -0.07 -1.58 0.00 -0.88 -1.86 121.76 114.21 1ba2 s ALA 185 Ca -0.03 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ba2 s ALA 185 Cb 0.03 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1ba2 s ALA 185 CO 0.30 -0.33 -0.17 0.08 0.00 0.00 0.00 175.76 175.64 1ba2 s VAL 186 N -1.71 1.46 -0.38 0.00 1.01 0.81 -1.12 120.40 120.47 1ba2 s VAL 186 Ca -0.10 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ba2 s VAL 186 Cb -0.03 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1ba2 s VAL 186 CO 0.03 0.42 0.19 0.12 0.00 0.00 0.00 175.10 175.86 1ba2 s PHE 187 N 0.40 3.28 -0.22 5.22 5.36 0.31 -0.71 117.98 131.61 1ba2 s PHE 187 Ca -0.13 -1.30 -0.09 0.00 -0.96 0.00 0.00 56.93 54.46 1ba2 s PHE 187 Cb -0.15 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1ba2 s PHE 187 CO 0.05 -0.74 0.11 0.00 -1.46 0.00 0.00 175.22 173.18 1ba2 s ALA 188 N 1.46 3.50 -2.00 11.12 0.00 0.03 -0.30 121.76 135.58 1ba2 s ALA 188 Ca 0.01 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1ba2 s ALA 188 Cb -0.20 -2.14 0.51 0.00 0.00 0.00 0.00 23.12 21.28 1ba2 s ALA 188 CO 0.04 -0.06 0.93 1.04 0.00 0.00 0.00 175.76 177.71 1ba2 n GLN 189 N 4.01 0.37 -3.44 0.00 6.02 -0.06 -3.76 117.38 120.52 1ba2 n GLN 189 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.70 1ba2 n GLN 189 Cb 0.52 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 1ba2 n GLN 189 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ba2 s ASN 190 N -1.90 -0.58 0.37 1.08 4.22 -1.26 -4.53 114.94 112.34 1ba2 s ASN 190 Ca 0.13 0.12 0.05 0.00 -2.14 0.00 0.00 52.86 51.02 1ba2 s ASN 190 Cb 0.06 0.58 0.74 0.00 1.28 0.00 0.00 41.25 43.91 1ba2 s ASN 190 CO 0.10 -0.89 1.98 0.44 -2.04 0.00 0.00 177.10 176.68 1ba2 h ASP 191 N 2.17 0.65 0.16 3.54 3.32 -1.07 -1.69 116.42 123.51 1ba2 h ASP 191 Ca -0.32 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1ba2 h ASP 191 Cb 1.28 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1ba2 h ASP 191 CO 0.38 0.44 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.77 1ba2 h GLU 192 N 0.75 -0.44 -0.66 3.56 4.39 -1.86 0.23 114.58 120.54 1ba2 h GLU 192 Ca 0.28 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1ba2 h GLU 192 Cb 0.16 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1ba2 h GLU 192 CO -0.08 -0.30 0.29 0.52 -1.16 0.00 0.00 179.01 178.28 1ba2 h MET 193 N -0.46 0.96 -0.43 2.33 2.86 -1.65 -0.32 114.93 118.22 1ba2 h MET 193 Ca 0.02 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1ba2 h MET 193 Cb 0.46 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1ba2 h MET 193 CO -0.10 0.76 0.26 0.00 1.06 0.00 0.00 176.91 178.89 1ba2 h ALA 194 N 1.37 0.54 -0.48 6.32 0.00 -0.76 0.67 119.26 126.91 1ba2 h ALA 194 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ba2 h ALA 194 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ba2 h ALA 194 CO -0.02 0.04 -0.04 -0.07 0.00 0.00 0.00 179.25 179.15 1ba2 h LEU 195 N 0.56 0.82 -0.38 0.00 3.38 -0.11 -1.37 115.31 118.21 1ba2 h LEU 195 Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ba2 h LEU 195 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ba2 h LEU 195 CO -0.03 0.91 0.12 1.23 0.09 0.00 0.00 178.44 180.76 1ba2 h GLY 196 N 0.98 0.64 1.31 0.83 0.00 -0.79 -2.63 103.07 103.41 1ba2 h GLY 196 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1ba2 h GLY 196 CO 0.03 0.35 0.36 0.00 0.00 0.00 0.00 176.54 177.29 1ba2 h ALA 197 N 0.97 1.40 -0.32 3.60 0.00 -0.59 -2.05 119.26 122.27 1ba2 h ALA 197 Ca 0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ba2 h ALA 197 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ba2 h ALA 197 CO -0.00 0.50 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 1ba2 h LEU 198 N 0.92 0.52 -0.28 0.00 3.38 -1.04 -0.37 115.31 118.45 1ba2 h LEU 198 Ca 0.23 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1ba2 h LEU 198 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1ba2 h LEU 198 CO -0.04 0.66 -0.22 -0.09 0.09 0.00 0.00 178.44 178.84 1ba2 h ARG 199 N 0.51 0.64 -0.97 1.13 9.65 -1.09 -0.20 114.38 124.04 1ba2 h ARG 199 Ca 0.10 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1ba2 h ARG 199 Cb 0.48 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 1ba2 h ARG 199 CO 0.03 0.91 0.62 0.00 2.80 0.00 0.00 179.97 184.33 1ba2 h ALA 200 N 0.71 1.23 -0.28 2.80 0.00 -1.11 0.31 119.26 122.92 1ba2 h ALA 200 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ba2 h ALA 200 Cb 0.77 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ba2 h ALA 200 CO 0.06 0.65 -0.18 -0.07 0.00 0.00 0.00 179.25 179.70 1ba2 h LEU 201 N 1.32 0.50 -0.34 0.00 3.38 -0.86 -1.74 115.31 117.57 1ba2 h LEU 201 Ca 0.35 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1ba2 h LEU 201 Cb -0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1ba2 h LEU 201 CO -0.07 0.70 -0.14 -0.61 0.09 0.00 0.00 178.44 178.41 1ba2 h GLN 202 N 0.46 0.70 0.00 1.13 4.15 -0.08 -0.89 115.11 120.58 1ba2 h GLN 202 Ca 0.08 -0.30 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 1ba2 h GLN 202 Cb 0.59 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1ba2 h GLN 202 CO 0.04 0.90 -0.28 1.15 -1.93 0.00 0.00 178.83 178.71 1ba2 h THR 203 N 0.49 1.15 0.00 2.39 2.02 -0.14 -2.40 112.91 116.41 1ba2 h THR 203 Ca 0.08 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1ba2 h THR 203 Cb 0.67 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1ba2 h THR 203 CO 0.05 0.27 -0.69 0.00 0.37 0.00 0.00 175.52 175.52 1ba2 n ALA 204 N -2.46 3.02 -1.70 6.16 0.00 -0.68 -4.97 120.51 119.88 1ba2 n ALA 204 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 1ba2 n ALA 204 Cb 0.33 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ba2 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba2 n GLY 205 N 1.35 0.37 3.33 0.00 0.00 -0.64 -5.01 105.19 104.60 1ba2 n GLY 205 Ca 0.03 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 1ba2 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba2 s LYS 206 N -3.42 3.13 0.00 1.61 -0.14 -0.43 -4.93 119.74 115.56 1ba2 s LYS 206 Ca 0.00 -1.74 0.27 0.00 -1.36 0.00 0.00 55.97 53.14 1ba2 s LYS 206 Cb 0.00 -4.34 0.86 0.00 -1.68 0.00 0.00 37.83 32.68 1ba2 s LYS 206 CO 0.00 -1.39 1.63 -1.13 -0.76 0.00 0.00 175.35 173.70 1ba2 n SER 207 N 5.35 1.16 0.01 2.83 3.41 -1.26 -4.32 113.62 120.81 1ba2 n SER 207 Ca -0.07 -1.07 0.11 0.00 -0.26 0.00 0.00 58.87 57.58 1ba2 n SER 207 Cb 0.42 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1ba2 n SER 207 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ba2 n ASP 208 N -0.39 0.61 -4.71 4.04 5.75 -1.26 -4.96 116.55 115.62 1ba2 n ASP 208 Ca 0.14 -0.38 -0.42 0.00 -0.01 0.00 0.00 54.79 54.12 1ba2 n ASP 208 Cb 0.35 1.03 -0.03 0.00 -1.03 0.00 0.00 41.12 41.44 1ba2 n ASP 208 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ba2 s VAL 209 N -3.19 3.33 -0.28 2.12 1.01 -1.26 -4.97 120.40 117.16 1ba2 s VAL 209 Ca 0.03 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 1ba2 s VAL 209 Cb 0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1ba2 s VAL 209 CO 0.83 0.05 0.50 -0.32 0.00 0.00 0.00 175.10 176.16 1ba2 s MET 210 N 1.56 3.98 -0.12 2.72 1.75 -0.78 -4.94 119.30 123.48 1ba2 s MET 210 Ca 0.66 0.20 -0.02 0.00 -1.25 0.00 0.00 55.69 55.28 1ba2 s MET 210 Cb -0.36 -3.68 -0.03 0.00 2.84 0.00 0.00 34.83 33.60 1ba2 s MET 210 CO 0.30 -0.40 -0.06 0.08 -0.65 0.00 0.00 175.02 174.29 1ba2 s VAL 211 N 2.31 3.72 -0.11 10.11 1.01 -1.26 -0.13 120.40 136.04 1ba2 s VAL 211 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1ba2 s VAL 211 Cb -0.16 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1ba2 s VAL 211 CO 0.10 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.81 1ba2 s VAL 212 N -0.06 2.05 0.00 2.92 1.01 0.11 -1.30 120.40 125.12 1ba2 s VAL 212 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1ba2 s VAL 212 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1ba2 s VAL 212 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1ba2 n GLY 213 N 3.65 3.39 3.57 4.51 0.00 -0.22 -0.79 105.19 119.32 1ba2 n GLY 213 Ca -0.19 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 1ba2 n GLY 213 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ba2 s PHE 214 N 1.93 -0.82 0.00 1.61 2.19 -1.25 -3.81 117.98 117.83 1ba2 s PHE 214 Ca 0.00 1.86 0.00 0.00 0.33 0.00 0.00 56.93 59.12 1ba2 s PHE 214 Cb 0.00 0.36 0.00 0.00 -1.31 0.00 0.00 43.02 42.07 1ba2 s PHE 214 CO 0.00 -0.40 0.00 -0.25 1.83 0.00 0.00 175.22 176.40 1ba2 n ASP 215 N 3.27 0.00 -1.97 6.13 8.00 0.37 -0.49 116.55 131.86 1ba2 n ASP 215 Ca -0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 1ba2 n ASP 215 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 1ba2 n ASP 215 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ba2 n GLY 216 N 0.00 -0.07 3.70 0.44 0.00 -1.12 -4.42 105.19 103.72 1ba2 n GLY 216 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1ba2 n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ba2 s THR 217 N -2.93 2.61 0.21 2.61 -4.23 -1.26 -4.66 115.64 107.99 1ba2 s THR 217 Ca 0.19 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1ba2 s THR 217 Cb -0.08 -2.59 0.20 0.00 1.34 0.00 0.00 72.50 71.36 1ba2 s THR 217 CO 0.23 -0.26 1.66 -0.65 -0.54 0.00 0.00 174.62 175.06 1ba2 h PRO 218 N -1.64 0.10 -0.15 3.99 0.11 -1.99 0.24 132.00 132.66 1ba2 h PRO 218 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1ba2 h PRO 218 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1ba2 h PRO 218 CO 0.52 0.07 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.74 1ba2 h ASP 219 N 0.10 0.25 -0.18 -2.05 3.32 -1.99 -1.66 116.42 114.22 1ba2 h ASP 219 Ca 0.32 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 1ba2 h ASP 219 Cb 0.51 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1ba2 h ASP 219 CO -0.54 0.47 -0.59 1.23 -1.72 0.00 0.00 179.24 178.09 1ba2 h GLY 220 N 0.89 0.78 0.99 2.75 0.00 -1.47 -2.22 103.07 104.79 1ba2 h GLY 220 Ca 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.30 1ba2 h GLY 220 CO 0.03 0.92 0.20 0.83 0.00 0.00 0.00 176.54 178.52 1ba2 h GLU 221 N 0.41 0.86 -0.19 4.80 5.08 -0.40 -1.86 114.58 123.28 1ba2 h GLU 221 Ca -0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ba2 h GLU 221 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ba2 h GLU 221 CO 0.13 0.77 0.12 -0.22 -1.00 0.00 0.00 179.01 178.80 1ba2 h LYS 222 N 0.78 0.26 -0.82 2.33 3.64 -1.33 0.36 116.57 121.78 1ba2 h LYS 222 Ca 0.18 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1ba2 h LYS 222 Cb 0.25 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1ba2 h LYS 222 CO -0.01 0.20 0.54 0.00 -2.27 0.00 0.00 179.45 177.90 1ba2 h ALA 223 N 1.05 1.57 -0.03 5.00 0.00 -1.28 0.10 119.26 125.67 1ba2 h ALA 223 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ba2 h ALA 223 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ba2 h ALA 223 CO -0.01 0.32 -0.08 0.28 0.00 0.00 0.00 179.25 179.76 1ba2 h VAL 224 N 0.94 1.47 -0.56 0.00 2.07 -0.61 0.81 116.25 120.37 1ba2 h VAL 224 Ca 0.34 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.43 1ba2 h VAL 224 Cb 0.16 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1ba2 h VAL 224 CO -0.12 0.41 0.38 0.78 0.02 0.00 0.00 177.57 179.04 1ba2 h ASN 225 N -0.48 0.40 0.14 0.57 2.35 0.07 0.14 115.58 118.77 1ba2 h ASN 225 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ba2 h ASN 225 Cb 0.70 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1ba2 h ASN 225 CO 0.02 0.26 0.00 0.47 -1.65 0.00 0.00 177.43 176.52 1ba2 n ASP 226 N -4.47 0.00 -0.32 5.81 8.00 0.31 -4.91 116.55 120.97 1ba2 n ASP 226 Ca 0.08 -0.73 -0.04 0.00 0.71 0.00 0.00 54.79 54.81 1ba2 n ASP 226 Cb 0.30 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1ba2 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ba2 n GLY 227 N 0.93 0.70 0.12 0.44 0.00 0.47 -4.89 105.19 102.95 1ba2 n GLY 227 Ca 0.20 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1ba2 n GLY 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba2 n LYS 228 N -2.48 0.68 -3.76 1.61 5.02 -0.06 -4.82 118.16 114.35 1ba2 n LYS 228 Ca -0.04 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 1ba2 n LYS 228 Cb 0.19 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 1ba2 n LYS 228 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ba2 s LEU 229 N -6.29 4.08 0.26 -0.35 2.96 0.08 -4.75 118.68 114.67 1ba2 s LEU 229 Ca -0.21 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1ba2 s LEU 229 Cb 0.08 -2.07 0.31 0.00 0.50 0.00 0.00 46.19 45.01 1ba2 s LEU 229 CO 0.73 0.13 1.83 0.00 -1.32 0.00 0.00 176.35 177.72 1ba2 h ALA 230 N 7.01 1.17 -1.75 5.97 0.00 -1.52 -3.36 119.26 126.79 1ba2 h ALA 230 Ca -0.39 -0.18 0.26 0.00 0.00 0.00 0.00 54.91 54.60 1ba2 h ALA 230 Cb 1.16 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1ba2 h ALA 230 CO 0.71 0.59 0.71 0.00 0.00 0.00 0.00 179.25 181.26 1ba2 s ALA 231 N -5.43 -2.03 0.24 0.00 0.00 -1.22 -4.59 121.76 108.73 1ba2 s ALA 231 Ca -0.11 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1ba2 s ALA 231 Cb 0.16 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1ba2 s ALA 231 CO 0.82 -0.96 0.12 -0.08 0.00 0.00 0.00 175.76 175.65 1ba2 s THR 232 N -2.71 0.28 -0.17 0.00 -1.32 -0.76 -1.06 115.64 109.90 1ba2 s THR 232 Ca 0.12 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.61 1ba2 s THR 232 Cb 0.02 -2.56 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1ba2 s THR 232 CO -0.03 0.00 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.57 1ba2 s ILE 233 N -3.90 1.92 -0.05 5.08 -1.09 -1.25 -0.23 121.20 121.68 1ba2 s ILE 233 Ca 0.38 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1ba2 s ILE 233 Cb 0.07 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1ba2 s ILE 233 CO 0.14 0.52 0.09 0.00 -1.23 0.00 0.00 174.94 174.45 1ba2 s ALA 234 N 1.34 3.63 0.93 9.38 0.00 0.78 -0.48 121.76 137.35 1ba2 s ALA 234 Ca 0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 1ba2 s ALA 234 Cb -0.13 -1.68 0.17 0.00 0.00 0.00 0.00 23.12 21.48 1ba2 s ALA 234 CO -0.12 0.66 1.27 -0.65 0.00 0.00 0.00 175.76 176.92 1ba2 s GLN 235 N -1.41 0.92 -0.51 0.00 -0.21 -1.26 -0.36 119.66 116.83 1ba2 s GLN 235 Ca 0.19 -0.24 0.06 0.00 0.02 0.00 0.00 55.36 55.39 1ba2 s GLN 235 Cb -0.12 -1.86 0.20 0.00 1.00 0.00 0.00 33.01 32.23 1ba2 s GLN 235 CO 0.10 -2.25 0.48 1.28 -2.12 0.00 0.00 175.29 172.77 1ba2 n LEU 236 N -3.70 1.08 -0.35 2.90 4.77 -1.26 -4.76 117.00 115.69 1ba2 n LEU 236 Ca 0.13 -4.80 0.17 0.00 -0.03 0.00 0.00 56.01 51.48 1ba2 n LEU 236 Cb 0.60 0.10 0.38 0.00 -2.33 0.00 0.00 43.42 42.17 1ba2 n LEU 236 CO 0.49 1.92 1.17 1.55 -1.33 0.00 0.00 177.39 181.19 1ba2 h PRO 237 N 4.95 0.59 0.00 3.23 0.13 -1.91 0.92 132.00 139.92 1ba2 h PRO 237 Ca 0.18 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1ba2 h PRO 237 Cb 0.83 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ba2 h PRO 237 CO 0.54 0.39 -0.11 0.38 -0.23 0.00 0.00 178.00 178.97 1ba2 h ASP 238 N 0.61 0.00 0.77 1.44 2.03 -1.84 -0.66 116.42 118.77 1ba2 h ASP 238 Ca 0.63 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.74 1ba2 h ASP 238 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 1ba2 h ASP 238 CO -0.44 0.11 -0.88 1.56 -1.03 0.00 0.00 179.24 178.56 1ba2 h GLN 239 N 0.00 0.07 -0.38 4.15 1.08 -1.15 -0.51 115.11 118.36 1ba2 h GLN 239 Ca -0.00 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1ba2 h GLN 239 Cb 0.21 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1ba2 h GLN 239 CO 0.01 0.90 -0.07 0.82 -0.95 0.00 0.00 178.83 179.55 1ba2 h ILE 240 N 0.03 1.27 0.01 2.54 2.04 -0.80 -0.06 117.51 122.54 1ba2 h ILE 240 Ca -0.02 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 1ba2 h ILE 240 Cb 1.53 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1ba2 h ILE 240 CO 0.12 0.38 -0.00 1.23 0.00 0.00 0.00 178.15 179.88 1ba2 h GLY 241 N 0.53 -0.01 0.98 5.37 0.00 -1.08 -2.21 103.07 106.66 1ba2 h GLY 241 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ba2 h GLY 241 CO 0.03 -0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.82 1ba2 h ALA 242 N 0.85 0.56 -0.87 3.60 0.00 -0.99 -2.63 119.26 119.78 1ba2 h ALA 242 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ba2 h ALA 242 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1ba2 h ALA 242 CO 0.00 0.06 0.57 -0.22 0.00 0.00 0.00 179.25 179.66 1ba2 h LYS 243 N 0.57 1.06 -0.48 0.00 1.63 -0.98 -0.72 116.57 117.66 1ba2 h LYS 243 Ca 0.16 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1ba2 h LYS 243 Cb 0.01 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 1ba2 h LYS 243 CO -0.03 0.70 0.08 0.78 -3.45 0.00 0.00 179.45 177.53 1ba2 h GLY 244 N 1.10 0.86 1.31 5.01 0.00 -1.13 0.19 103.07 110.40 1ba2 h GLY 244 Ca 0.34 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1ba2 h GLY 244 CO -0.10 0.53 -0.18 -2.08 0.00 0.00 0.00 176.54 174.71 1ba2 h VAL 245 N 0.67 1.27 -0.81 4.60 2.07 -1.10 -0.03 116.25 122.92 1ba2 h VAL 245 Ca 0.15 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1ba2 h VAL 245 Cb 0.39 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ba2 h VAL 245 CO 0.01 0.44 0.34 -0.08 0.02 0.00 0.00 177.57 178.29 1ba2 h GLU 246 N 0.71 1.20 -0.24 1.57 4.81 -0.86 -1.21 114.58 120.56 1ba2 h GLU 246 Ca 0.11 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 1ba2 h GLU 246 Cb 0.69 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ba2 h GLU 246 CO 0.05 0.96 -0.51 1.15 -0.73 0.00 0.00 179.01 179.93 1ba2 h THR 247 N 1.17 1.30 -0.79 0.32 2.02 -0.65 -2.67 112.91 113.61 1ba2 h THR 247 Ca 0.27 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.74 1ba2 h THR 247 Cb 0.20 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 1ba2 h THR 247 CO -0.02 0.55 0.52 0.00 0.37 0.00 0.00 175.52 176.94 1ba2 h ALA 248 N 0.89 1.01 -0.80 6.16 0.00 -0.50 -0.16 119.26 125.87 1ba2 h ALA 248 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ba2 h ALA 248 Cb 1.07 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ba2 h ALA 248 CO 0.10 0.40 0.39 0.22 0.00 0.00 0.00 179.25 180.37 1ba2 h ASP 249 N 1.06 1.03 -0.05 0.00 3.58 -1.17 -0.92 116.42 119.95 1ba2 h ASP 249 Ca 0.30 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ba2 h ASP 249 Cb -0.10 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.69 1ba2 h ASP 249 CO -0.07 0.87 0.02 0.11 -2.88 0.00 0.00 179.24 177.28 1ba2 h LYS 250 N 1.12 0.07 -0.11 0.28 1.57 -0.91 -1.54 116.57 117.05 1ba2 h LYS 250 Ca 0.27 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1ba2 h LYS 250 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1ba2 h LYS 250 CO -0.04 0.21 -0.11 0.28 -0.57 0.00 0.00 179.45 179.23 1ba2 h VAL 251 N -0.08 0.70 0.00 0.50 2.07 -0.89 -1.22 116.25 117.33 1ba2 h VAL 251 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ba2 h VAL 251 Cb 0.16 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ba2 h VAL 251 CO -0.00 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.50 1ba2 h LEU 252 N -0.13 0.00 -1.53 2.57 3.38 -1.06 -1.23 115.31 117.31 1ba2 h LEU 252 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ba2 h LEU 252 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ba2 h LEU 252 CO -0.19 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.65 1ba2 n LYS 253 N -3.44 1.97 -1.31 1.13 5.02 -0.52 -4.92 118.16 116.09 1ba2 n LYS 253 Ca -0.03 -1.50 -0.06 0.00 -2.02 0.00 0.00 58.31 54.70 1ba2 n LYS 253 Cb 0.12 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1ba2 n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ba2 n GLY 254 N 1.18 0.75 3.85 0.72 0.00 -0.46 -5.03 105.19 106.20 1ba2 n GLY 254 Ca 0.15 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1ba2 n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ba2 s GLU 255 N -2.78 4.00 -0.20 1.61 2.02 -0.81 -5.02 118.70 117.52 1ba2 s GLU 255 Ca 0.00 0.65 -0.29 0.00 0.02 0.00 0.00 54.97 55.35 1ba2 s GLU 255 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 1ba2 s GLU 255 CO 0.00 0.18 1.22 0.15 0.02 0.00 0.00 175.26 176.83 1ba2 s LYS 256 N -2.92 4.20 0.30 1.61 1.02 -1.26 -4.54 119.74 118.15 1ba2 s LYS 256 Ca 0.53 1.54 0.07 0.00 0.02 0.00 0.00 55.97 58.13 1ba2 s LYS 256 Cb -0.11 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1ba2 s LYS 256 CO 0.18 -0.74 0.29 0.14 -0.92 0.00 0.00 175.35 174.30 1ba2 s VAL 257 N 3.54 4.09 0.63 3.17 -7.23 -1.26 -5.07 120.40 118.27 1ba2 s VAL 257 Ca 0.52 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 1ba2 s VAL 257 Cb -0.19 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 1ba2 s VAL 257 CO 0.14 -0.25 1.09 -1.10 -0.31 0.00 0.00 175.10 174.67 1ba2 s GLN 258 N -3.97 3.04 0.48 4.82 -0.21 -1.26 -4.94 119.66 117.63 1ba2 s GLN 258 Ca 0.38 1.31 0.28 0.00 0.02 0.00 0.00 55.36 57.34 1ba2 s GLN 258 Cb -0.07 -1.99 0.91 0.00 1.00 0.00 0.00 33.01 32.85 1ba2 s GLN 258 CO 0.27 -1.05 1.81 0.00 -2.12 0.00 0.00 175.29 174.21 1ba2 h ALA 259 N 0.23 0.98 -3.31 6.09 0.00 -1.94 -3.42 119.26 117.89 1ba2 h ALA 259 Ca -0.47 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1ba2 h ALA 259 Cb 1.23 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.73 1ba2 h ALA 259 CO 0.56 0.09 -0.56 0.15 0.00 0.00 0.00 179.25 179.49 1ba2 s LYS 260 N -3.49 0.15 -0.19 0.00 1.02 -1.26 -1.13 119.74 114.84 1ba2 s LYS 260 Ca 0.03 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1ba2 s LYS 260 Cb 0.08 -0.02 0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1ba2 s LYS 260 CO 0.61 -0.08 -0.11 0.71 -0.92 0.00 0.00 175.35 175.56 1ba2 s TYR 261 N 0.52 2.39 0.35 3.18 2.02 -0.51 -4.95 117.35 120.35 1ba2 s TYR 261 Ca -0.04 -1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 54.86 1ba2 s TYR 261 Cb -0.05 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.78 1ba2 s TYR 261 CO -0.02 -0.73 1.05 -1.25 -1.57 0.00 0.00 175.55 173.03 1ba2 s PRO 262 N 1.41 4.36 0.01 -1.71 0.04 -1.26 -2.34 135.00 135.51 1ba2 s PRO 262 Ca -0.00 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1ba2 s PRO 262 Cb -0.16 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 1ba2 s PRO 262 CO -0.09 0.02 -0.09 0.08 0.04 0.00 0.00 177.00 176.96 1ba2 s VAL 263 N -1.48 3.45 0.70 -0.36 1.01 0.12 -4.82 120.40 119.01 1ba2 s VAL 263 Ca 0.53 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1ba2 s VAL 263 Cb -0.25 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ba2 s VAL 263 CO 0.32 0.38 1.20 -0.62 0.00 0.00 0.00 175.10 176.38 1ba2 s ASP 264 N -1.43 4.44 0.31 3.32 2.15 -1.26 -1.03 116.67 123.17 1ba2 s ASP 264 Ca 0.17 2.35 0.11 0.00 0.43 0.00 0.00 52.55 55.60 1ba2 s ASP 264 Cb -0.11 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 39.87 1ba2 s ASP 264 CO 0.07 -2.10 -0.13 -0.76 -0.17 0.00 0.00 175.17 172.08 1ba2 s LEU 265 N -4.92 2.71 -0.09 -1.34 1.43 -1.26 -4.20 118.68 111.00 1ba2 s LEU 265 Ca 0.75 -1.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1ba2 s LEU 265 Cb -0.29 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1ba2 s LEU 265 CO 0.43 -0.08 -0.23 -0.75 0.23 0.00 0.00 176.35 175.95 1ba2 s LYS 266 N -3.57 2.90 -0.11 1.70 2.20 0.51 -4.98 119.74 118.37 1ba2 s LYS 266 Ca 0.31 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 54.82 1ba2 s LYS 266 Cb -0.02 -2.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.07 1ba2 s LYS 266 CO 0.16 0.18 0.84 -1.17 -0.36 0.00 0.00 175.35 175.01 1ba2 s LEU 267 N 0.33 4.24 -0.32 5.43 2.96 -1.26 -0.15 118.68 129.92 1ba2 s LEU 267 Ca -0.18 1.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.95 1ba2 s LEU 267 Cb -0.18 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.24 1ba2 s LEU 267 CO 0.08 -0.32 0.11 -0.69 -1.32 0.00 0.00 176.35 174.21 1ba2 s VAL 268 N 1.66 4.05 0.35 1.68 1.01 0.68 -4.92 120.40 124.91 1ba2 s VAL 268 Ca 0.41 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1ba2 s VAL 268 Cb -0.18 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1ba2 s VAL 268 CO 0.17 -0.02 0.02 0.68 0.00 0.00 0.00 175.10 175.94 1ba2 s VAL 269 N 1.49 1.58 0.16 2.92 -7.23 -1.26 -1.84 120.40 116.23 1ba2 s VAL 269 Ca 0.02 -2.02 -0.32 0.00 -1.81 0.00 0.00 61.98 57.85 1ba2 s VAL 269 Cb -0.18 -2.83 -0.11 0.00 0.56 0.00 0.00 36.38 33.82 1ba2 s VAL 269 CO 0.03 -0.04 1.79 1.17 -0.31 0.00 0.00 175.10 177.74 1ba2 n LYS 270 N -0.78 2.79 -0.67 4.82 4.81 -1.26 -4.92 118.16 122.94 1ba2 n LYS 270 Ca -0.04 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1ba2 n LYS 270 Cb 0.66 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1ba2 n LYS 270 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61