#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 4.12 -0.06 4.39 1.11 -1.26 -4.72 116.67 120.25 1ba2 s ASP 2 Ca 0.00 1.52 0.05 0.00 0.18 0.00 0.00 52.55 54.30 1ba2 s ASP 2 Cb 0.00 -2.23 -0.02 0.00 1.07 0.00 0.00 42.92 41.74 1ba2 s ASP 2 CO 0.00 -2.23 -0.22 -0.89 1.18 0.00 0.00 175.17 173.01 1ba2 s THR 3 N -3.00 2.36 -0.14 -1.27 2.01 -1.26 -1.13 115.64 113.22 1ba2 s THR 3 Ca 0.62 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1ba2 s THR 3 Cb -0.16 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1ba2 s THR 3 CO 0.56 0.57 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.39 1ba2 s ILE 4 N -0.28 3.94 -0.14 1.82 1.01 0.43 -4.33 121.20 123.65 1ba2 s ILE 4 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1ba2 s ILE 4 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1ba2 s ILE 4 CO 0.03 0.52 0.03 0.00 0.00 0.00 0.00 174.94 175.52 1ba2 s ALA 5 N 0.05 3.34 -0.18 9.38 0.00 -1.11 -0.89 121.76 132.36 1ba2 s ALA 5 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1ba2 s ALA 5 Cb -0.13 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1ba2 s ALA 5 CO 0.03 0.35 -0.17 -1.17 0.00 0.00 0.00 175.76 174.79 1ba2 s LEU 6 N -0.13 2.31 -0.33 0.00 2.96 0.54 -0.11 118.68 123.93 1ba2 s LEU 6 Ca 0.06 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1ba2 s LEU 6 Cb -0.12 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 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 1.23 4.65 -0.11 1.68 1.01 0.68 -1.05 120.40 128.49 1ba2 s VAL 7 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1ba2 s VAL 7 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1ba2 s VAL 7 CO -0.09 -0.01 0.06 0.54 0.00 0.00 0.00 175.10 175.60 1ba2 s VAL 8 N 1.61 4.81 0.19 2.92 0.11 -0.11 -1.11 120.40 128.82 1ba2 s VAL 8 Ca 0.04 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.90 1ba2 s VAL 8 Cb -0.18 -3.07 0.15 0.00 -1.53 0.00 0.00 36.38 31.75 1ba2 s VAL 8 CO 0.07 0.59 1.67 0.77 -3.33 0.00 0.00 175.10 174.86 1ba2 h SER 9 N 5.32 -0.33 -5.07 3.54 4.64 -1.60 -0.35 113.55 119.70 1ba2 h SER 9 Ca -0.50 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ba2 h SER 9 Cb 1.20 0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 63.46 1ba2 h SER 9 CO 0.58 -0.12 0.09 0.28 -0.87 0.00 0.00 176.83 176.79 1ba2 s THR 10 N -6.19 0.01 -0.08 2.95 -1.32 -1.26 0.18 115.64 109.93 1ba2 s THR 10 Ca -0.14 -0.76 0.12 0.00 -1.21 0.00 0.00 61.69 59.71 1ba2 s THR 10 Cb 0.17 -1.63 0.20 0.00 -1.51 0.00 0.00 72.50 69.73 1ba2 s THR 10 CO 0.72 -0.07 1.10 0.18 -2.21 0.00 0.00 174.62 174.35 1ba2 n LEU 11 N -0.38 1.46 -0.91 9.08 4.77 -1.26 -4.72 117.00 125.04 1ba2 n LEU 11 Ca -0.09 -2.34 0.07 0.00 -0.03 0.00 0.00 56.01 53.62 1ba2 n LEU 11 Cb 0.62 -0.26 0.21 0.00 -2.33 0.00 0.00 43.42 41.66 1ba2 n LEU 11 CO 0.16 0.58 0.67 -0.46 -1.33 0.00 0.00 177.39 177.01 1ba2 n ASN 12 N -0.81 2.64 -3.88 -1.43 6.94 -1.26 -4.77 115.26 112.69 1ba2 n ASN 12 Ca 0.10 -2.08 -0.11 0.00 -0.02 0.00 0.00 54.58 52.47 1ba2 n ASN 12 Cb 0.69 -0.35 -0.13 0.00 -2.36 0.00 0.00 39.78 37.63 1ba2 n ASN 12 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1ba2 s ASN 13 N -0.93 0.01 0.37 0.53 2.47 -1.26 -5.05 114.94 111.08 1ba2 s ASN 13 Ca 0.31 -0.04 0.11 0.00 0.42 0.00 0.00 52.86 53.66 1ba2 s ASN 13 Cb 0.17 0.10 0.87 0.00 -1.45 0.00 0.00 41.25 40.95 1ba2 s ASN 13 CO 0.19 -0.09 1.87 -0.65 -3.72 0.00 0.00 177.10 174.70 1ba2 h PRO 14 N 5.70 0.61 -0.74 0.43 0.11 -1.99 -0.99 132.00 135.12 1ba2 h PRO 14 Ca -0.26 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1ba2 h PRO 14 Cb 1.21 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1ba2 h PRO 14 CO 0.46 0.40 0.49 0.35 -0.21 0.00 0.00 178.00 179.50 1ba2 h PHE 15 N 0.63 0.92 0.00 0.65 3.04 -1.99 -1.34 116.94 118.86 1ba2 h PHE 15 Ca 0.45 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.24 1ba2 h PHE 15 Cb 0.81 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1ba2 h PHE 15 CO -0.00 0.57 -0.84 0.74 -2.02 0.00 0.00 178.31 176.76 1ba2 h PHE 16 N 0.99 0.13 -0.59 0.41 0.04 -1.51 -2.37 116.94 114.05 1ba2 h PHE 16 Ca 0.28 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.92 1ba2 h PHE 16 Cb -0.10 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1ba2 h PHE 16 CO -0.02 0.88 0.15 0.28 -0.60 0.00 0.00 178.31 179.00 1ba2 h VAL 17 N 0.05 1.25 -0.73 -0.55 2.07 -1.06 -1.41 116.25 115.87 1ba2 h VAL 17 Ca -0.02 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1ba2 h VAL 17 Cb 1.46 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1ba2 h VAL 17 CO 0.12 0.33 0.31 0.28 0.02 0.00 0.00 177.57 178.62 1ba2 h SER 18 N 0.85 0.99 -0.17 0.57 0.02 -1.22 0.77 113.55 115.36 1ba2 h SER 18 Ca 0.19 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ba2 h SER 18 Cb 0.34 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1ba2 h SER 18 CO 0.00 0.88 0.07 0.25 -1.14 0.00 0.00 176.83 176.89 1ba2 h LEU 19 N 1.04 0.09 -0.40 5.07 6.46 -1.05 0.42 115.31 126.94 1ba2 h LEU 19 Ca 0.24 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1ba2 h LEU 19 Cb 0.19 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1ba2 h LEU 19 CO -0.02 0.08 0.22 0.50 -0.62 0.00 0.00 178.44 178.59 1ba2 h LYS 20 N 0.16 0.56 -0.93 1.25 3.64 -0.93 -2.03 116.57 118.29 1ba2 h LYS 20 Ca 0.07 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1ba2 h LYS 20 Cb 0.03 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1ba2 h LYS 20 CO -0.06 0.46 0.61 -0.44 -2.27 0.00 0.00 179.45 177.74 1ba2 h ASP 21 N 0.52 1.04 -0.26 4.20 3.32 -0.60 -0.07 116.42 124.58 1ba2 h ASP 21 Ca 0.14 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1ba2 h ASP 21 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1ba2 h ASP 21 CO -0.02 0.74 -0.24 1.23 -1.72 0.00 0.00 179.24 179.23 1ba2 h GLY 22 N 1.23 0.80 0.90 2.75 0.00 -0.78 -0.93 103.07 107.04 1ba2 h GLY 22 Ca 0.35 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1ba2 h GLY 22 CO -0.09 0.63 0.06 0.00 0.00 0.00 0.00 176.54 177.14 1ba2 h ALA 23 N 1.09 0.42 0.17 3.60 0.00 -0.79 -1.66 119.26 122.09 1ba2 h ALA 23 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ba2 h ALA 23 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ba2 h ALA 23 CO 0.06 0.11 -0.10 0.37 0.00 0.00 0.00 179.25 179.69 1ba2 h GLN 24 N 0.35 -0.24 -0.60 0.00 5.75 -0.90 0.12 115.11 119.59 1ba2 h GLN 24 Ca 0.10 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1ba2 h GLN 24 Cb 0.33 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 1ba2 h GLN 24 CO 0.00 -0.16 0.31 -0.22 -2.65 0.00 0.00 178.83 176.11 1ba2 h LYS 25 N -0.25 0.56 -0.19 1.69 3.64 -1.15 0.56 116.57 121.42 1ba2 h LYS 25 Ca -0.02 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1ba2 h LYS 25 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ba2 h LYS 25 CO 0.02 0.37 -0.37 1.49 -2.27 0.00 0.00 179.45 178.68 1ba2 h GLU 26 N 0.57 0.42 0.07 1.90 4.57 -1.09 -1.95 114.58 119.07 1ba2 h GLU 26 Ca 0.28 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ba2 h GLU 26 Cb 0.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1ba2 h GLU 26 CO -0.20 0.73 -0.03 0.00 -1.18 0.00 0.00 179.01 178.33 1ba2 h ALA 27 N 1.25 -0.10 -0.49 2.92 0.00 0.45 -1.43 119.26 121.86 1ba2 h ALA 27 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ba2 h ALA 27 Cb 0.82 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1ba2 h ALA 27 CO 0.07 -0.51 0.18 -0.44 0.00 0.00 0.00 179.25 178.55 1ba2 h ASP 28 N -0.19 0.18 -0.47 0.00 3.32 -0.85 -0.61 116.42 117.80 1ba2 h ASP 28 Ca -0.01 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1ba2 h ASP 28 Cb 0.16 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1ba2 h ASP 28 CO 0.02 0.13 0.25 0.50 -1.72 0.00 0.00 179.24 178.42 1ba2 h LYS 29 N 0.35 0.49 -0.04 3.56 3.64 -1.16 -2.72 116.57 120.69 1ba2 h LYS 29 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1ba2 h LYS 29 Cb 0.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ba2 h LYS 29 CO -0.24 0.32 0.00 1.28 -2.27 0.00 0.00 179.45 178.54 1ba2 n LEU 30 N -4.87 0.78 0.00 5.20 4.77 -0.55 -4.93 117.00 117.40 1ba2 n LEU 30 Ca 0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1ba2 n LEU 30 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ba2 n LEU 30 CO 0.31 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1ba2 n GLY 31 N 1.03 0.43 3.82 -0.72 0.00 -0.47 -5.06 105.19 104.22 1ba2 n GLY 31 Ca 0.19 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 3.17 -0.14 1.61 2.02 -0.36 -4.51 117.35 117.15 1ba2 s TYR 32 Ca 0.00 -0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 1ba2 s TYR 32 Cb 0.00 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1ba2 s TYR 32 CO 0.00 0.52 0.27 1.21 -1.57 0.00 0.00 175.55 175.98 1ba2 s ASN 33 N -3.41 6.46 -0.22 2.29 3.04 -0.28 -4.15 114.94 118.67 1ba2 s ASN 33 Ca 0.32 0.53 -0.06 0.00 0.04 0.00 0.00 52.86 53.70 1ba2 s ASN 33 Cb -0.09 -2.17 -0.02 0.00 -1.54 0.00 0.00 41.25 37.43 1ba2 s ASN 33 CO 0.24 0.18 0.02 -0.22 -3.04 0.00 0.00 177.10 174.28 1ba2 s LEU 34 N 0.05 3.31 -0.19 3.21 2.96 -1.26 -0.43 118.68 126.34 1ba2 s LEU 34 Ca 0.16 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 1ba2 s LEU 34 Cb -0.13 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1ba2 s LEU 34 CO 0.05 0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.64 1ba2 s VAL 35 N 1.21 5.34 -0.15 1.68 1.01 -0.07 -4.97 120.40 124.46 1ba2 s VAL 35 Ca 0.04 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1ba2 s VAL 35 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1ba2 s VAL 35 CO 0.02 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1ba2 s VAL 36 N 0.54 1.99 -0.15 2.92 1.01 -1.26 -0.34 120.40 125.12 1ba2 s VAL 36 Ca 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ba2 s VAL 36 Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1ba2 s VAL 36 CO 0.02 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.73 1ba2 s LEU 37 N 1.02 2.40 -0.22 3.92 1.43 -0.21 -5.00 118.68 122.01 1ba2 s LEU 37 Ca -0.02 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1ba2 s LEU 37 Cb -0.15 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1ba2 s LEU 37 CO -0.06 0.09 0.60 -0.62 0.23 0.00 0.00 176.35 176.59 1ba2 s ASP 38 N 0.79 6.62 0.00 2.29 2.15 -1.26 -0.94 116.67 126.32 1ba2 s ASP 38 Ca -0.06 0.75 0.29 0.00 0.43 0.00 0.00 52.55 53.96 1ba2 s ASP 38 Cb -0.15 -2.33 1.32 0.00 -0.30 0.00 0.00 42.92 41.45 1ba2 s ASP 38 CO -0.00 -0.29 1.93 -1.20 -0.17 0.00 0.00 175.17 175.45 1ba2 n SER 39 N 5.22 0.20 -3.02 -0.34 7.64 -0.14 -4.93 113.62 118.25 1ba2 n SER 39 Ca -0.02 -0.22 -0.20 0.00 1.01 0.00 0.00 58.87 59.44 1ba2 n SER 39 Cb 0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.21 -3.32 -1.57 1.43 6.02 -0.98 -1.22 117.38 116.53 1ba2 n GLN 40 Ca 0.13 0.60 -0.19 0.00 -0.01 0.00 0.00 57.00 57.52 1ba2 n GLN 40 Cb 0.27 -5.30 -0.08 0.00 1.02 0.00 0.00 30.24 26.15 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 -2.19 -5.11 -4.28 1.08 3.02 0.13 -4.96 115.26 102.94 1ba2 n ASN 41 Ca -0.07 0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 54.61 1ba2 n ASN 41 Cb 0.58 -4.55 -0.15 0.00 -0.61 0.00 0.00 39.78 35.06 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 -2.64 3.96 0.41 6.41 3.84 -0.36 -5.01 114.94 121.56 1ba2 s ASN 42 Ca 0.00 -0.43 0.19 0.00 0.21 0.00 0.00 52.86 52.82 1ba2 s ASN 42 Cb 0.00 -1.64 0.90 0.00 -0.55 0.00 0.00 41.25 39.95 1ba2 s ASN 42 CO 0.00 0.04 1.86 1.55 -2.79 0.00 0.00 177.10 177.76 1ba2 h PRO 43 N 7.68 0.00 -0.17 0.43 0.13 -1.93 0.69 132.00 138.83 1ba2 h PRO 43 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 1ba2 h PRO 43 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ba2 h PRO 43 CO 0.60 0.31 -0.50 0.00 -0.23 0.00 0.00 178.00 178.17 1ba2 h ALA 44 N 1.69 0.29 -0.35 -0.56 0.00 -1.94 -1.38 119.26 117.01 1ba2 h ALA 44 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1ba2 h ALA 44 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ba2 h ALA 44 CO 0.04 0.47 -0.07 -0.22 0.00 0.00 0.00 179.25 179.47 1ba2 h LYS 45 N 0.32 0.59 -0.27 0.00 1.63 -1.72 -2.22 116.57 114.90 1ba2 h LYS 45 Ca -0.01 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1ba2 h LYS 45 Cb 1.12 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1ba2 h LYS 45 CO 0.11 0.66 0.05 1.49 -3.45 0.00 0.00 179.45 178.31 1ba2 h GLU 46 N 0.55 0.44 -0.44 1.90 4.81 -0.72 -0.17 114.58 120.96 1ba2 h GLU 46 Ca 0.11 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ba2 h GLU 46 Cb 0.46 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ba2 h GLU 46 CO 0.02 0.55 0.29 1.25 -0.73 0.00 0.00 179.01 180.40 1ba2 h LEU 47 N 0.26 0.50 -1.35 1.64 5.85 -1.06 -1.58 115.31 119.57 1ba2 h LEU 47 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1ba2 h LEU 47 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ba2 h LEU 47 CO 0.00 0.36 0.11 0.00 -0.34 0.00 0.00 178.44 178.58 1ba2 h ALA 48 N 1.16 1.48 -0.12 1.25 0.00 -1.33 -0.14 119.26 121.56 1ba2 h ALA 48 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ba2 h ALA 48 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ba2 h ALA 48 CO -0.03 0.39 0.04 -0.91 0.00 0.00 0.00 179.25 178.74 1ba2 h ASN 49 N 0.55 0.17 -0.49 0.00 2.35 -0.25 0.17 115.58 118.09 1ba2 h ASN 49 Ca 0.13 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1ba2 h ASN 49 Cb 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1ba2 h ASN 49 CO -0.01 0.31 0.19 0.58 -1.65 0.00 0.00 177.43 176.86 1ba2 h VAL 50 N 0.03 1.21 -0.42 2.81 2.07 -0.88 -1.57 116.25 119.50 1ba2 h VAL 50 Ca 0.04 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ba2 h VAL 50 Cb 0.20 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1ba2 h VAL 50 CO -0.00 0.24 0.23 1.56 0.02 0.00 0.00 177.57 179.62 1ba2 h GLN 51 N 0.64 0.46 -0.72 1.57 4.20 -0.90 0.11 115.11 120.47 1ba2 h GLN 51 Ca 0.16 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.96 1ba2 h GLN 51 Cb 0.19 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 1ba2 h GLN 51 CO -0.01 0.30 0.32 -0.44 -0.67 0.00 0.00 178.83 178.33 1ba2 h ASP 52 N 0.47 0.36 0.04 1.46 3.32 -0.79 -1.31 116.42 119.96 1ba2 h ASP 52 Ca 0.17 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1ba2 h ASP 52 Cb 0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1ba2 h ASP 52 CO -0.09 0.18 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.13 1ba2 h LEU 53 N 0.51 0.49 -0.46 1.55 3.38 -0.09 -3.08 115.31 117.61 1ba2 h LEU 53 Ca 0.37 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1ba2 h LEU 53 Cb 0.48 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ba2 h LEU 53 CO -0.33 0.85 -0.50 0.71 0.09 0.00 0.00 178.44 179.26 1ba2 h THR 54 N 0.39 1.30 -0.54 0.22 1.35 0.12 -2.73 112.91 113.01 1ba2 h THR 54 Ca 0.03 -1.70 -0.04 0.00 -0.55 0.00 0.00 66.41 64.15 1ba2 h THR 54 Cb 0.88 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 1ba2 h THR 54 CO 0.07 0.54 0.18 -0.37 -0.25 0.00 0.00 175.52 175.70 1ba2 h VAL 55 N 0.56 1.21 0.00 6.82 -1.51 -1.24 -2.28 116.25 119.81 1ba2 h VAL 55 Ca 0.02 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1ba2 h VAL 55 Cb 1.06 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1ba2 h VAL 55 CO 0.10 0.26 0.00 0.54 -1.23 0.00 0.00 177.57 177.25 1ba2 n ARG 56 N -4.31 0.06 -2.97 5.19 1.74 -1.16 -4.93 116.66 110.27 1ba2 n ARG 56 Ca 0.04 0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 57.09 1ba2 n ARG 56 Cb 0.18 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1ba2 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ba2 n GLY 57 N 0.95 -0.02 3.77 -0.13 0.00 -0.86 -4.99 105.19 103.91 1ba2 n GLY 57 Ca 0.07 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.21 2.27 0.07 2.61 2.01 -1.05 -4.97 115.64 113.38 1ba2 s THR 58 Ca 0.12 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 1ba2 s THR 58 Cb -0.05 -3.15 -0.29 0.00 0.01 0.00 0.00 72.50 69.02 1ba2 s THR 58 CO 0.45 0.04 1.13 0.11 -0.69 0.00 0.00 174.62 175.66 1ba2 h LYS 59 N 2.61 0.28 -3.95 4.92 1.57 -1.93 -3.46 116.57 116.61 1ba2 h LYS 59 Ca -0.50 -0.48 -0.19 0.00 -1.87 0.00 0.00 60.65 57.61 1ba2 h LYS 59 Cb 1.25 0.18 -0.23 0.00 0.08 0.00 0.00 32.23 33.52 1ba2 h LYS 59 CO 0.62 1.23 -0.71 0.42 -0.57 0.00 0.00 179.45 180.45 1ba2 s ILE 60 N -2.65 0.10 -0.21 1.86 -1.09 -1.26 -4.29 121.20 113.66 1ba2 s ILE 60 Ca -0.04 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1ba2 s ILE 60 Cb 0.07 -0.22 0.02 0.00 -1.58 0.00 0.00 42.46 40.75 1ba2 s ILE 60 CO 0.89 -0.38 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.87 1ba2 s LEU 61 N -1.12 2.58 -0.30 2.97 2.96 -0.34 -2.73 118.68 122.69 1ba2 s LEU 61 Ca -0.12 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.00 1ba2 s LEU 61 Cb -0.08 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1ba2 s LEU 61 CO -0.01 -0.04 0.26 -0.76 -1.32 0.00 0.00 176.35 174.49 1ba2 s LEU 62 N 1.33 4.19 -0.07 -0.68 1.43 0.85 -0.30 118.68 125.42 1ba2 s LEU 62 Ca 0.04 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1ba2 s LEU 62 Cb -0.14 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1ba2 s LEU 62 CO -0.09 -0.16 -0.13 -0.51 0.23 0.00 0.00 176.35 175.70 1ba2 s ILE 63 N 1.85 1.20 -0.50 -0.59 2.07 0.49 -0.23 121.20 125.49 1ba2 s ILE 63 Ca 0.09 -0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 58.71 1ba2 s ILE 63 Cb -0.16 -1.10 0.12 0.00 0.13 0.00 0.00 42.46 41.45 1ba2 s ILE 63 CO 0.11 0.37 0.40 0.21 -1.91 0.00 0.00 174.94 174.12 1ba2 s ASN 64 N 0.75 5.87 0.56 4.50 3.04 -0.26 -1.07 114.94 128.32 1ba2 s ASN 64 Ca -0.13 -1.88 -0.21 0.00 0.04 0.00 0.00 52.86 50.68 1ba2 s ASN 64 Cb -0.16 -2.08 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 1ba2 s ASN 64 CO 0.03 -0.75 1.37 -2.84 -3.04 0.00 0.00 177.10 171.86 1ba2 s PRO 65 N 1.43 3.05 0.12 0.43 0.02 -1.26 -1.71 135.00 137.08 1ba2 s PRO 65 Ca 0.05 2.25 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 1ba2 s PRO 65 Cb -0.27 -2.21 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 1ba2 s PRO 65 CO 0.00 -1.27 1.63 1.79 -0.33 0.00 0.00 177.00 178.83 1ba2 h THR 66 N 1.34 1.22 -2.63 0.99 1.35 -1.94 -3.43 112.91 109.81 1ba2 h THR 66 Ca -0.51 -0.75 -0.11 0.00 -0.55 0.00 0.00 66.41 64.50 1ba2 h THR 66 Cb 1.31 0.98 -0.24 0.00 -1.73 0.00 0.00 68.15 68.47 1ba2 h THR 66 CO 0.57 0.26 -0.21 -0.60 -0.25 0.00 0.00 175.52 175.29 1ba2 s ARG 67 N -5.34 0.50 0.29 4.72 3.52 -1.26 -5.05 118.95 116.32 1ba2 s ARG 67 Ca -0.13 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.18 1ba2 s ARG 67 Cb 0.10 0.19 0.62 0.00 -1.56 0.00 0.00 34.95 34.29 1ba2 s ARG 67 CO 0.76 -0.09 1.80 0.77 -0.81 0.00 0.00 175.30 177.74 1ba2 h SER 68 N 5.87 0.82 1.64 -2.12 0.02 -1.86 -1.67 113.55 116.25 1ba2 h SER 68 Ca -0.29 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1ba2 h SER 68 Cb 1.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ba2 h SER 68 CO 0.24 0.37 -0.15 0.44 -1.14 0.00 0.00 176.83 176.59 1ba2 h ASP 69 N 0.85 0.00 1.01 3.07 3.32 -1.97 -1.30 116.42 121.41 1ba2 h ASP 69 Ca 0.52 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.40 1ba2 h ASP 69 Cb 0.67 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1ba2 h ASP 69 CO -0.32 0.01 -1.05 0.00 -1.72 0.00 0.00 179.24 176.16 1ba2 h ALA 70 N 2.20 0.63 0.00 3.45 0.00 -1.72 -3.39 119.26 120.43 1ba2 h ALA 70 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ba2 h ALA 70 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ba2 h ALA 70 CO 0.00 0.91 -0.10 1.55 0.00 0.00 0.00 179.25 181.61 1ba2 n VAL 71 N -3.09 0.53 -0.25 0.00 3.14 -1.10 -4.40 118.33 113.16 1ba2 n VAL 71 Ca -0.05 -0.27 -0.01 0.00 -2.96 0.00 0.00 64.34 61.06 1ba2 n VAL 71 Cb 0.83 -0.51 0.06 0.00 -1.06 0.00 0.00 33.84 33.17 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 4.54 0.33 1.15 7.55 0.00 -1.77 -1.84 103.07 113.03 1ba2 h GLY 72 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1ba2 h GLY 72 CO 0.00 -0.26 0.40 3.43 0.00 0.00 0.00 176.54 180.11 1ba2 h ASN 73 N -0.05 1.00 -0.69 0.19 2.35 -1.88 -0.65 115.58 115.85 1ba2 h ASN 73 Ca 0.32 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1ba2 h ASN 73 Cb 0.55 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1ba2 h ASN 73 CO -0.75 0.82 0.24 0.00 -1.65 0.00 0.00 177.43 176.09 1ba2 h ALA 74 N 1.34 1.10 -0.32 -0.83 0.00 -1.66 -1.70 119.26 117.18 1ba2 h ALA 74 Ca 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ba2 h ALA 74 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ba2 h ALA 74 CO -0.04 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.06 1ba2 h VAL 75 N 1.04 1.27 -0.02 0.00 2.07 -0.80 -2.60 116.25 117.22 1ba2 h VAL 75 Ca 0.23 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1ba2 h VAL 75 Cb 0.26 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1ba2 h VAL 75 CO -0.01 0.35 -0.20 0.11 0.02 0.00 0.00 177.57 177.84 1ba2 h LYS 76 N 0.38 0.02 -0.40 1.57 1.57 -0.93 0.02 116.57 118.81 1ba2 h LYS 76 Ca 0.08 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1ba2 h LYS 76 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1ba2 h LYS 76 CO 0.03 0.22 0.06 0.52 -0.57 0.00 0.00 179.45 179.71 1ba2 h MET 77 N 0.02 0.67 -0.69 3.15 2.86 -1.10 -0.78 114.93 119.06 1ba2 h MET 77 Ca 0.00 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1ba2 h MET 77 Cb 0.36 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1ba2 h MET 77 CO 0.03 0.72 0.30 0.00 1.06 0.00 0.00 176.91 179.01 1ba2 h ALA 78 N 0.92 0.89 -0.78 6.32 0.00 -0.99 -2.49 119.26 123.14 1ba2 h ALA 78 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ba2 h ALA 78 Cb 0.38 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ba2 h ALA 78 CO 0.01 0.48 0.50 -0.91 0.00 0.00 0.00 179.25 179.33 1ba2 h ASN 79 N 0.97 0.84 0.26 0.00 -0.26 -0.71 -0.32 115.58 116.36 1ba2 h ASN 79 Ca 0.23 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1ba2 h ASN 79 Cb 0.17 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1ba2 h ASN 79 CO -0.02 0.59 -0.23 1.56 -1.06 0.00 0.00 177.43 178.26 1ba2 h GLN 80 N 0.99 0.00 -0.26 0.81 4.20 -0.82 -1.79 115.11 118.23 1ba2 h GLN 80 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1ba2 h GLN 80 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1ba2 h GLN 80 CO -0.10 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1ba2 n ALA 81 N -2.47 2.48 -2.72 3.87 0.00 -0.93 -4.92 120.51 115.83 1ba2 n ALA 81 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1ba2 n ALA 81 Cb 0.29 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1ba2 n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ba2 n ASN 82 N 0.47 -5.99 -4.47 0.00 3.02 -0.67 -4.97 115.26 102.64 1ba2 n ASN 82 Ca 0.15 -0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1ba2 n ASN 82 Cb 0.33 -4.92 -0.10 0.00 -0.61 0.00 0.00 39.78 34.49 1ba2 n ASN 82 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ba2 s ILE 83 N -3.11 5.23 0.28 2.41 1.01 -0.17 -5.02 121.20 121.83 1ba2 s ILE 83 Ca 0.16 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1ba2 s ILE 83 Cb -0.07 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.33 1ba2 s ILE 83 CO 0.19 -0.31 1.35 -0.81 0.00 0.00 0.00 174.94 175.36 1ba2 n PRO 84 N 5.24 2.04 -4.81 2.79 -0.04 -1.26 -4.14 135.00 134.82 1ba2 n PRO 84 Ca -0.10 0.72 -0.33 0.00 -0.04 0.00 0.00 63.50 63.75 1ba2 n PRO 84 Cb 0.47 -2.34 -0.13 0.00 -0.04 0.00 0.00 33.50 31.45 1ba2 n PRO 84 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba2 s VAL 85 N -0.45 3.12 -0.13 0.52 1.01 -1.26 -1.20 120.40 122.01 1ba2 s VAL 85 Ca 0.63 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1ba2 s VAL 85 Cb -0.62 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1ba2 s VAL 85 CO 0.54 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 175.42 1ba2 s ILE 86 N -0.26 1.61 0.14 2.22 1.01 0.59 -0.86 121.20 125.65 1ba2 s ILE 86 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1ba2 s ILE 86 Cb -0.13 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1ba2 s ILE 86 CO 0.03 0.46 0.37 0.42 0.00 0.00 0.00 174.94 176.22 1ba2 s THR 87 N 1.16 5.18 -0.07 2.92 -4.23 -0.52 -0.38 115.64 119.69 1ba2 s THR 87 Ca -0.02 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1ba2 s THR 87 Cb -0.14 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1ba2 s THR 87 CO -0.05 0.03 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.10 1ba2 s LEU 88 N -2.68 1.95 0.00 4.79 1.43 -0.24 -0.66 118.68 123.27 1ba2 s LEU 88 Ca 0.41 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1ba2 s LEU 88 Cb -0.12 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1ba2 s LEU 88 CO 0.25 0.14 0.00 -0.67 0.23 0.00 0.00 176.35 176.30 1ba2 n ASP 89 N 3.40 0.00 -4.86 2.29 2.03 0.11 -4.35 116.55 115.17 1ba2 n ASP 89 Ca -0.19 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 40.87 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 3.65 0.69 -0.67 0.52 -1.26 -4.82 118.95 117.05 1ba2 s ARG 90 Ca 0.00 0.09 -0.09 0.00 -0.52 0.00 0.00 55.73 55.21 1ba2 s ARG 90 Cb 0.00 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.32 1ba2 s ARG 90 CO 0.00 0.73 1.03 -0.65 0.02 0.00 0.00 175.30 176.43 1ba2 s GLN 91 N -1.16 2.61 -0.30 3.54 -0.21 -1.26 -4.52 119.66 118.36 1ba2 s GLN 91 Ca 0.20 0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.55 1ba2 s GLN 91 Cb -0.14 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 1ba2 s GLN 91 CO 0.09 -1.05 0.41 0.00 -2.12 0.00 0.00 175.29 172.62 1ba2 s ALA 92 N -3.26 3.54 0.19 6.09 0.00 -1.26 -4.27 121.76 122.79 1ba2 s ALA 92 Ca 0.58 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1ba2 s ALA 92 Cb -0.11 -2.80 0.16 0.00 0.00 0.00 0.00 23.12 20.37 1ba2 s ALA 92 CO 0.48 -0.85 1.79 1.15 0.00 0.00 0.00 175.76 178.33 1ba2 h THR 93 N 5.46 0.95 -2.41 0.00 2.02 -1.59 -3.43 112.91 113.91 1ba2 h THR 93 Ca -0.30 -0.19 -0.55 0.00 0.77 0.00 0.00 66.41 66.14 1ba2 h THR 93 Cb 1.15 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 67.78 1ba2 h THR 93 CO 0.68 0.10 -0.72 -0.54 0.37 0.00 0.00 175.52 175.41 1ba2 s LYS 94 N -6.12 1.59 0.00 6.66 -0.14 -1.26 -5.06 119.74 115.40 1ba2 s LYS 94 Ca -0.13 -1.76 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 1ba2 s LYS 94 Cb 0.14 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.82 1ba2 s LYS 94 CO 0.74 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.94 1ba2 n GLY 95 N -0.58 2.51 3.69 -3.33 0.00 -1.26 -4.26 105.19 101.95 1ba2 n GLY 95 Ca -0.06 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.64 4.32 -0.11 1.61 2.02 -1.26 -5.01 118.70 116.64 1ba2 s GLU 96 Ca 0.00 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.72 1ba2 s GLU 96 Cb 0.00 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1ba2 s GLU 96 CO 0.00 -0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.08 1ba2 s VAL 97 N 1.25 2.11 0.12 2.63 1.01 -1.26 -4.59 120.40 121.66 1ba2 s VAL 97 Ca 0.32 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1ba2 s VAL 97 Cb -0.16 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1ba2 s VAL 97 CO 0.13 0.56 1.41 0.58 0.00 0.00 0.00 175.10 177.78 1ba2 h VAL 98 N 5.72 1.28 -2.46 2.92 2.07 -1.38 -3.47 116.25 120.94 1ba2 h VAL 98 Ca -0.22 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 1ba2 h VAL 98 Cb 1.23 1.60 -0.21 0.00 -1.52 0.00 0.00 31.29 32.39 1ba2 h VAL 98 CO 0.49 0.53 -0.05 -0.55 0.02 0.00 0.00 177.57 178.02 1ba2 s SER 99 N -6.83 -0.50 -0.11 0.57 0.15 -1.22 -4.27 113.70 101.49 1ba2 s SER 99 Ca -0.11 0.72 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1ba2 s SER 99 Cb 0.10 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1ba2 s SER 99 CO 0.87 -0.38 -0.19 -2.28 1.20 0.00 0.00 173.24 172.46 1ba2 s HIS 100 N -0.58 2.66 -0.17 3.44 2.46 0.14 -1.44 115.29 121.79 1ba2 s HIS 100 Ca -0.07 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 54.59 1ba2 s HIS 100 Cb -0.03 -1.76 0.01 0.00 -0.13 0.00 0.00 32.58 30.67 1ba2 s HIS 100 CO 0.04 -0.33 -0.17 0.42 -2.47 0.00 0.00 174.74 172.24 1ba2 s ILE 101 N 0.33 2.39 0.18 0.89 1.01 0.17 -1.35 121.20 124.81 1ba2 s ILE 101 Ca -0.15 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1ba2 s ILE 101 Cb -0.17 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1ba2 s ILE 101 CO 0.08 0.52 0.46 0.00 0.00 0.00 0.00 174.94 175.99 1ba2 s ALA 102 N 1.14 -0.78 0.20 9.38 0.00 -1.14 0.09 121.76 130.66 1ba2 s ALA 102 Ca 0.01 -0.30 -0.32 0.00 0.00 0.00 0.00 51.96 51.35 1ba2 s ALA 102 Cb -0.14 0.82 -0.13 0.00 0.00 0.00 0.00 23.12 23.67 1ba2 s ALA 102 CO -0.07 -0.75 1.63 0.43 0.00 0.00 0.00 175.76 177.00 1ba2 n SER 103 N -0.30 3.56 -4.55 0.00 7.64 -1.26 -0.89 113.62 117.82 1ba2 n SER 103 Ca -0.11 1.09 -0.41 0.00 1.01 0.00 0.00 58.87 60.45 1ba2 n SER 103 Cb 0.63 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 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 0.92 6.08 0.40 6.43 -1.08 0.29 -4.73 116.67 124.99 1ba2 s ASP 104 Ca 0.74 -0.39 0.11 0.00 -0.52 0.00 0.00 52.55 52.50 1ba2 s ASP 104 Cb -0.58 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.16 1ba2 s ASP 104 CO 0.38 -1.89 1.93 0.78 0.52 0.00 0.00 175.17 176.89 1ba2 h ASN 105 N 10.46 0.16 -0.15 -0.34 2.35 -1.90 -1.72 115.58 124.44 1ba2 h ASN 105 Ca -0.28 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.42 1ba2 h ASN 105 Cb 1.06 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1ba2 h ASN 105 CO 1.28 0.33 -0.00 0.58 -1.65 0.00 0.00 177.43 177.96 1ba2 h VAL 106 N 0.16 1.26 -0.85 2.81 2.07 -1.91 -2.41 116.25 117.37 1ba2 h VAL 106 Ca 0.03 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1ba2 h VAL 106 Cb 0.37 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1ba2 h VAL 106 CO 0.02 0.25 0.54 0.25 0.02 0.00 0.00 177.57 178.65 1ba2 h LEU 107 N -0.00 0.88 -0.42 2.57 5.85 -1.80 -1.74 115.31 120.65 1ba2 h LEU 107 Ca 0.04 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ba2 h LEU 107 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1ba2 h LEU 107 CO 0.01 0.59 0.21 1.23 -0.34 0.00 0.00 178.44 180.14 1ba2 h GLY 108 N 1.03 0.58 0.99 3.75 0.00 -1.20 0.12 103.07 108.34 1ba2 h GLY 108 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1ba2 h GLY 108 CO -0.13 0.11 0.23 -1.33 0.00 0.00 0.00 176.54 175.41 1ba2 h GLY 109 N 0.43 0.94 0.84 4.60 0.00 -0.93 -0.78 103.07 108.17 1ba2 h GLY 109 Ca 0.18 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1ba2 h GLY 109 CO -0.13 0.48 0.46 1.70 0.00 0.00 0.00 176.54 179.06 1ba2 h LYS 110 N 0.81 0.87 -0.13 4.80 3.64 -0.66 -1.16 116.57 124.73 1ba2 h LYS 110 Ca 0.19 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ba2 h LYS 110 Cb 0.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ba2 h LYS 110 CO -0.02 0.57 0.08 0.82 -2.27 0.00 0.00 179.45 178.64 1ba2 h ILE 111 N 0.89 1.05 -0.57 2.00 2.04 -0.36 0.27 117.51 122.84 1ba2 h ILE 111 Ca 0.30 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 66.11 1ba2 h ILE 111 Cb 0.04 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1ba2 h ILE 111 CO -0.12 0.05 0.21 0.00 0.00 0.00 0.00 178.15 178.29 1ba2 h ALA 112 N 1.02 0.71 -0.58 1.87 0.00 -0.78 0.01 119.26 121.51 1ba2 h ALA 112 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ba2 h ALA 112 Cb 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ba2 h ALA 112 CO -0.01 -0.20 0.03 0.78 0.00 0.00 0.00 179.25 179.85 1ba2 h GLY 113 N 0.39 1.06 1.20 0.00 0.00 -0.85 -1.76 103.07 103.11 1ba2 h GLY 113 Ca 0.28 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1ba2 h GLY 113 CO -0.28 0.68 0.13 -0.55 0.00 0.00 0.00 176.54 176.52 1ba2 h ASP 114 N 0.91 0.93 -0.23 0.19 3.32 0.21 -1.26 116.42 120.50 1ba2 h ASP 114 Ca 0.17 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1ba2 h ASP 114 Cb 0.49 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1ba2 h ASP 114 CO 0.02 0.91 -0.20 0.22 -1.72 0.00 0.00 179.24 178.47 1ba2 h TYR 115 N 0.94 0.76 -0.32 4.55 3.20 -0.69 -0.08 116.97 125.33 1ba2 h TYR 115 Ca 0.20 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ba2 h TYR 115 Cb 0.36 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1ba2 h TYR 115 CO 0.02 0.83 0.13 0.82 -1.64 0.00 0.00 178.16 178.33 1ba2 h ILE 116 N 0.60 1.18 -0.70 1.81 2.04 -0.91 -1.61 117.51 119.92 1ba2 h ILE 116 Ca 0.09 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1ba2 h ILE 116 Cb 0.67 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1ba2 h ILE 116 CO 0.05 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.76 1ba2 h ALA 117 N 0.98 1.33 -0.21 1.87 0.00 -1.02 0.62 119.26 122.82 1ba2 h ALA 117 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ba2 h ALA 117 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ba2 h ALA 117 CO -0.01 0.54 0.14 -0.22 0.00 0.00 0.00 179.25 179.70 1ba2 h LYS 118 N 0.99 0.28 0.00 0.00 3.64 -0.46 0.93 116.57 121.95 1ba2 h LYS 118 Ca 0.25 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.37 1ba2 h LYS 118 Cb 0.05 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1ba2 h LYS 118 CO -0.04 0.19 -1.60 1.63 -2.27 0.00 0.00 179.45 177.35 1ba2 n LYS 119 N -4.94 0.63 0.00 1.90 4.76 -0.66 -4.36 118.16 115.49 1ba2 n LYS 119 Ca -0.03 0.26 0.07 0.00 -2.87 0.00 0.00 58.31 55.75 1ba2 n LYS 119 Cb 0.03 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 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 -2.49 3.05 -0.01 7.82 0.00 0.21 -5.10 120.51 123.99 1ba2 n ALA 120 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ba2 n ALA 120 Cb 0.97 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 1.07 -2.24 3.60 0.00 0.00 0.32 -4.61 105.19 103.33 1ba2 n GLY 121 Ca 0.06 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1ba2 n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ba2 n GLU 122 N -2.30 0.99 -1.71 1.61 4.07 -1.26 -2.81 120.64 119.23 1ba2 n GLU 122 Ca -0.00 0.37 -0.21 0.00 -0.06 0.00 0.00 57.16 57.27 1ba2 n GLU 122 Cb 0.01 -2.10 -0.08 0.00 -0.06 0.00 0.00 31.44 29.21 1ba2 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ba2 n GLY 123 N 1.30 1.61 3.72 8.31 0.00 -0.39 -4.98 105.19 114.76 1ba2 n GLY 123 Ca 0.12 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1ba2 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba2 s ALA 124 N -2.80 1.96 -0.33 4.61 0.00 -1.12 -3.96 121.76 120.12 1ba2 s ALA 124 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 1ba2 s ALA 124 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ba2 s ALA 124 CO 0.00 -2.09 0.80 0.15 0.00 0.00 0.00 175.76 174.61 1ba2 s LYS 125 N -4.30 3.90 0.22 0.00 1.02 -1.26 0.02 119.74 119.34 1ba2 s LYS 125 Ca 0.69 0.51 0.10 0.00 0.02 0.00 0.00 55.97 57.29 1ba2 s LYS 125 Cb -0.25 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 1ba2 s LYS 125 CO 0.50 -0.75 -0.18 0.14 -0.92 0.00 0.00 175.35 174.15 1ba2 s VAL 126 N 3.03 2.09 -0.06 3.17 -7.23 -0.12 -0.67 120.40 120.61 1ba2 s VAL 126 Ca 0.32 -2.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1ba2 s VAL 126 Cb -0.14 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1ba2 s VAL 126 CO 0.14 -0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.73 1ba2 s ILE 127 N -2.46 1.36 -0.17 -0.62 1.01 -0.47 -0.32 121.20 119.53 1ba2 s ILE 127 Ca 0.24 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1ba2 s ILE 127 Cb -0.04 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1ba2 s ILE 127 CO 0.10 0.40 -0.03 -0.70 0.00 0.00 0.00 174.94 174.72 1ba2 s GLU 128 N 0.40 3.67 -0.39 2.79 2.12 -0.71 -0.78 118.70 125.79 1ba2 s GLU 128 Ca -0.11 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.59 1ba2 s GLU 128 Cb -0.14 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.32 1ba2 s GLU 128 CO 0.04 0.18 0.23 -0.51 -0.54 0.00 0.00 175.26 174.67 1ba2 s LEU 129 N 0.53 4.89 0.50 2.70 1.43 0.18 -2.04 118.68 126.86 1ba2 s LEU 129 Ca -0.02 -1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 51.89 1ba2 s LEU 129 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1ba2 s LEU 129 CO 0.02 -0.44 0.80 -1.10 0.23 0.00 0.00 176.35 175.87 1ba2 s GLN 130 N 1.53 3.47 0.00 1.70 -0.21 -0.10 -0.50 119.66 125.56 1ba2 s GLN 130 Ca 0.02 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1ba2 s GLN 130 Cb -0.20 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1ba2 s GLN 130 CO 0.06 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1ba2 n GLY 131 N -2.31 0.76 3.68 3.09 0.00 -1.26 -0.34 105.19 108.80 1ba2 n GLY 131 Ca 0.01 -1.89 -0.48 0.00 0.00 0.00 0.00 46.02 43.66 1ba2 n GLY 131 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ba2 n ILE 132 N -0.46 0.46 -1.70 -0.61 5.41 -1.26 -4.29 119.36 116.90 1ba2 n ILE 132 Ca 0.00 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 1ba2 n ILE 132 Cb 0.00 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.11 1ba2 n ILE 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ba2 n ALA 133 N 5.95 1.62 0.00 -1.39 0.00 -1.26 -2.25 120.51 123.17 1ba2 n ALA 133 Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ba2 n ALA 133 Cb 0.29 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 1.77 3.22 3.78 0.00 0.00 -1.26 -5.05 105.19 107.64 1ba2 n GLY 134 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 3.34 0.26 2.61 -4.23 -0.96 -4.91 115.64 109.62 1ba2 s THR 135 Ca 0.00 0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1ba2 s THR 135 Cb 0.00 -3.20 0.08 0.00 1.34 0.00 0.00 72.50 70.71 1ba2 s THR 135 CO 0.00 -0.33 1.72 0.77 -0.54 0.00 0.00 174.62 176.23 1ba2 h SER 136 N 0.42 0.67 0.84 3.99 4.64 -1.97 -1.52 113.55 120.62 1ba2 h SER 136 Ca -0.48 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 60.60 1ba2 h SER 136 Cb 1.24 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1ba2 h SER 136 CO 0.55 0.83 -0.40 0.00 -0.87 0.00 0.00 176.83 176.94 1ba2 h ALA 137 N 1.24 -1.12 -0.43 5.18 0.00 -1.94 0.89 119.26 123.08 1ba2 h ALA 137 Ca 0.10 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ba2 h ALA 137 Cb 0.59 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1ba2 h ALA 137 CO 0.04 -1.12 0.14 0.00 0.00 0.00 0.00 179.25 178.31 1ba2 h ALA 138 N -0.99 0.50 -0.37 0.00 0.00 -1.81 0.42 119.26 117.00 1ba2 h ALA 138 Ca -0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ba2 h ALA 138 Cb 0.86 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ba2 h ALA 138 CO 0.19 -0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.37 1ba2 h ARG 139 N 0.30 0.53 -0.13 0.00 3.08 -1.17 -1.79 114.38 115.19 1ba2 h ARG 139 Ca 0.20 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1ba2 h ARG 139 Cb 0.20 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ba2 h ARG 139 CO -0.21 0.47 -0.19 0.93 -1.07 0.00 0.00 179.97 179.89 1ba2 h GLU 140 N 0.47 0.36 -0.80 0.04 5.08 -0.59 -1.38 114.58 117.77 1ba2 h GLU 140 Ca 0.13 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ba2 h GLU 140 Cb 0.10 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1ba2 h GLU 140 CO -0.02 0.79 0.44 0.00 -1.00 0.00 0.00 179.01 179.22 1ba2 h ARG 141 N -0.03 1.11 -0.46 2.33 3.08 -0.96 0.70 114.38 120.15 1ba2 h ARG 141 Ca 0.01 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1ba2 h ARG 141 Cb 0.75 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1ba2 h ARG 141 CO 0.04 0.82 0.03 0.78 -1.07 0.00 0.00 179.97 180.57 1ba2 h GLY 142 N 1.11 0.80 0.89 0.04 0.00 -1.32 -0.76 103.07 103.82 1ba2 h GLY 142 Ca 0.28 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1ba2 h GLY 142 CO -0.05 0.47 -0.00 -2.09 0.00 0.00 0.00 176.54 174.88 1ba2 h GLU 143 N 0.71 0.54 -0.32 4.80 4.81 -0.37 -0.28 114.58 124.46 1ba2 h GLU 143 Ca 0.14 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1ba2 h GLU 143 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ba2 h GLU 143 CO 0.01 0.68 0.12 0.78 -0.73 0.00 0.00 179.01 179.88 1ba2 h GLY 144 N 0.34 0.52 1.05 1.92 0.00 -0.66 -2.16 103.07 104.08 1ba2 h GLY 144 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1ba2 h GLY 144 CO 0.02 0.28 0.56 -2.75 0.00 0.00 0.00 176.54 174.64 1ba2 h PHE 145 N 0.37 1.03 -0.45 5.60 3.57 -1.06 -1.91 116.94 124.08 1ba2 h PHE 145 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1ba2 h PHE 145 Cb 0.21 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1ba2 h PHE 145 CO -0.00 0.60 0.06 1.96 -2.23 0.00 0.00 178.31 178.70 1ba2 h GLN 146 N 1.07 0.70 -0.94 1.11 1.08 -0.58 -0.97 115.11 116.58 1ba2 h GLN 146 Ca 0.34 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1ba2 h GLN 146 Cb 0.02 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 1ba2 h GLN 146 CO -0.10 0.67 0.62 1.96 -0.95 0.00 0.00 178.83 181.04 1ba2 h GLN 147 N 0.67 1.23 -0.49 1.46 4.20 -0.74 -1.16 115.11 120.29 1ba2 h GLN 147 Ca 0.14 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1ba2 h GLN 147 Cb 0.33 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ba2 h GLN 147 CO 0.01 0.82 -0.12 0.00 -0.67 0.00 0.00 178.83 178.86 1ba2 h ALA 148 N 1.35 0.86 -0.61 3.87 0.00 -0.86 0.57 119.26 124.43 1ba2 h ALA 148 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ba2 h ALA 148 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1ba2 h ALA 148 CO -0.08 0.64 0.39 0.28 0.00 0.00 0.00 179.25 180.49 1ba2 h VAL 149 N 0.82 1.17 -0.22 0.00 2.07 -0.72 0.28 116.25 119.65 1ba2 h VAL 149 Ca 0.13 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1ba2 h VAL 149 Cb 0.65 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ba2 h VAL 149 CO 0.05 0.16 -0.56 0.00 0.02 0.00 0.00 177.57 177.24 1ba2 h ALA 150 N 1.21 0.36 -0.48 1.67 0.00 -1.02 0.26 119.26 121.26 1ba2 h ALA 150 Ca 0.22 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1ba2 h ALA 150 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ba2 h ALA 150 CO -0.05 0.59 -0.21 0.00 0.00 0.00 0.00 179.25 179.58 1ba2 h ALA 151 N 0.61 0.71 -0.57 0.00 0.00 -0.66 -3.27 119.26 116.08 1ba2 h ALA 151 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ba2 h ALA 151 Cb 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ba2 h ALA 151 CO 0.12 0.67 0.00 0.72 0.00 0.00 0.00 179.25 180.77 1ba2 n HIS 152 N -4.11 0.76 -4.13 0.00 8.25 0.96 -4.99 115.22 111.95 1ba2 n HIS 152 Ca 0.00 -0.43 -0.28 0.00 -0.26 0.00 0.00 57.72 56.74 1ba2 n HIS 152 Cb 0.46 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 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 1.38 -2.19 -1.64 -0.41 4.76 0.85 -1.26 118.16 119.64 1ba2 n LYS 153 Ca 0.21 0.26 -0.33 0.00 -2.87 0.00 0.00 58.31 55.57 1ba2 n LYS 153 Cb 0.57 -4.12 0.06 0.00 -1.84 0.00 0.00 35.03 29.71 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 -4.13 2.42 -0.55 2.13 0.08 -0.82 -3.80 117.98 113.32 1ba2 s PHE 154 Ca 0.03 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 58.53 1ba2 s PHE 154 Cb -0.02 -3.27 0.14 0.00 -0.57 0.00 0.00 43.02 39.30 1ba2 s PHE 154 CO 0.94 -2.00 0.47 1.21 -0.10 0.00 0.00 175.22 175.74 1ba2 s ASN 155 N -2.40 6.04 -0.71 1.36 3.04 0.10 -4.93 114.94 117.45 1ba2 s ASN 155 Ca 0.69 -1.96 -0.26 0.00 0.04 0.00 0.00 52.86 51.37 1ba2 s ASN 155 Cb -0.23 -2.13 0.00 0.00 -1.54 0.00 0.00 41.25 37.36 1ba2 s ASN 155 CO 0.43 -0.76 1.58 -0.69 -3.04 0.00 0.00 177.10 174.62 1ba2 s VAL 156 N 1.32 3.56 0.25 -5.21 1.01 -1.26 -0.95 120.40 119.11 1ba2 s VAL 156 Ca 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1ba2 s VAL 156 Cb -0.26 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 31.77 1ba2 s VAL 156 CO 0.00 -1.40 1.75 -0.07 0.00 0.00 0.00 175.10 175.38 1ba2 h LEU 157 N 14.74 0.80 -7.00 3.92 3.38 -1.03 -3.46 115.31 126.65 1ba2 h LEU 157 Ca -0.23 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1ba2 h LEU 157 Cb 1.10 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 1ba2 h LEU 157 CO 1.26 0.86 0.32 0.00 0.09 0.00 0.00 178.44 180.97 1ba2 s ALA 158 N -5.00 -1.72 -0.24 1.53 0.00 -1.24 -5.06 121.76 110.03 1ba2 s ALA 158 Ca -0.10 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 1ba2 s ALA 158 Cb 0.15 0.49 0.12 0.00 0.00 0.00 0.00 23.12 23.88 1ba2 s ALA 158 CO 0.82 -0.65 0.31 0.45 0.00 0.00 0.00 175.76 176.69 1ba2 s SER 159 N -2.31 0.92 0.03 0.00 0.15 -1.26 -1.73 113.70 109.49 1ba2 s SER 159 Ca 0.00 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1ba2 s SER 159 Cb -0.01 0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 1ba2 s SER 159 CO -0.07 -0.33 -0.11 -1.58 1.20 0.00 0.00 173.24 172.35 1ba2 s GLN 160 N 2.44 0.74 0.34 5.44 0.74 -0.86 -4.98 119.66 123.51 1ba2 s GLN 160 Ca 0.10 -0.60 -0.27 0.00 0.05 0.00 0.00 55.36 54.64 1ba2 s GLN 160 Cb -0.15 -0.69 -0.09 0.00 1.10 0.00 0.00 33.01 33.18 1ba2 s GLN 160 CO -0.19 0.17 1.07 -2.14 -0.55 0.00 0.00 175.29 173.65 1ba2 s PRO 161 N -0.92 4.40 -0.04 1.67 0.02 -1.26 -0.93 135.00 137.94 1ba2 s PRO 161 Ca -0.00 1.66 0.05 0.00 0.02 0.00 0.00 61.00 62.73 1ba2 s PRO 161 Cb -0.07 -2.87 0.08 0.00 0.02 0.00 0.00 34.50 31.67 1ba2 s PRO 161 CO 0.01 0.04 0.94 0.00 -0.33 0.00 0.00 177.00 177.65 1ba2 n ALA 162 N 0.56 1.86 -4.13 -1.55 0.00 0.53 -4.80 120.51 112.99 1ba2 n ALA 162 Ca 0.02 -1.36 -0.33 0.00 0.00 0.00 0.00 53.44 51.78 1ba2 n ALA 162 Cb 0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.51 -2.27 -1.87 0.00 8.00 -1.19 -1.93 116.55 116.78 1ba2 n ASP 163 Ca 0.05 -1.01 -0.15 0.00 0.71 0.00 0.00 54.79 54.38 1ba2 n ASP 163 Cb 0.55 -2.84 -0.04 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 -4.41 -0.73 -4.88 1.24 3.72 -1.26 -4.51 117.46 106.63 1ba2 n PHE 164 Ca -0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.02 1ba2 n PHE 164 Cb 0.56 -2.93 -0.13 0.00 -0.94 0.00 0.00 39.48 36.04 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 -2.16 3.78 0.05 4.37 2.15 -0.81 -4.60 116.67 119.43 1ba2 s ASP 165 Ca 0.00 -0.32 -0.32 0.00 0.43 0.00 0.00 52.55 52.34 1ba2 s ASP 165 Cb 0.00 -0.68 -0.18 0.00 -0.30 0.00 0.00 42.92 41.76 1ba2 s ASP 165 CO 0.00 0.31 1.44 -0.09 -0.17 0.00 0.00 175.17 176.66 1ba2 h ARG 166 N 5.08 -0.94 -0.49 4.34 2.43 -1.87 -1.84 114.38 121.08 1ba2 h ARG 166 Ca -0.46 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1ba2 h ARG 166 Cb 1.15 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.85 1ba2 h ARG 166 CO 0.49 -0.61 0.16 0.82 -1.51 0.00 0.00 179.97 179.32 1ba2 h ILE 167 N -1.09 0.82 -0.38 1.20 1.08 -1.94 -0.65 117.51 116.55 1ba2 h ILE 167 Ca -0.10 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1ba2 h ILE 167 Cb 0.77 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1ba2 h ILE 167 CO 0.16 0.06 0.12 0.11 -0.69 0.00 0.00 178.15 177.92 1ba2 h LYS 168 N 0.33 0.54 -0.50 2.37 1.57 -1.83 -1.14 116.57 117.93 1ba2 h LYS 168 Ca 0.24 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ba2 h LYS 168 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1ba2 h LYS 168 CO -0.25 0.48 0.23 0.78 -0.57 0.00 0.00 179.45 180.12 1ba2 h GLY 169 N 0.73 0.78 0.90 3.86 0.00 -0.26 0.14 103.07 109.22 1ba2 h GLY 169 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1ba2 h GLY 169 CO -0.01 0.37 -0.17 -2.00 0.00 0.00 0.00 176.54 174.73 1ba2 h LEU 170 N 0.66 -0.41 -0.31 3.11 5.85 -0.93 0.11 115.31 123.39 1ba2 h LEU 170 Ca 0.17 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ba2 h LEU 170 Cb 0.13 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1ba2 h LEU 170 CO -0.02 -0.21 0.16 0.78 -0.34 0.00 0.00 178.44 178.80 1ba2 h ASN 171 N -0.59 0.23 -0.62 1.25 2.35 -1.12 0.19 115.58 117.28 1ba2 h ASN 171 Ca -0.05 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1ba2 h ASN 171 Cb 0.44 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1ba2 h ASN 171 CO 0.08 0.18 0.20 0.58 -1.65 0.00 0.00 177.43 176.81 1ba2 h VAL 172 N 0.33 1.24 -0.20 2.81 2.07 -0.68 -0.81 116.25 121.01 1ba2 h VAL 172 Ca 0.13 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ba2 h VAL 172 Cb 0.04 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ba2 h VAL 172 CO -0.08 0.32 0.08 -0.03 0.02 0.00 0.00 177.57 177.87 1ba2 h MET 173 N 0.88 0.30 -0.49 1.57 1.85 -0.37 -0.64 114.93 118.03 1ba2 h MET 173 Ca 0.20 -0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.30 1ba2 h MET 173 Cb 0.29 -0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.21 1ba2 h MET 173 CO -0.01 0.37 0.16 0.37 -0.40 0.00 0.00 176.91 177.41 1ba2 h GLN 174 N 0.17 0.32 -0.26 0.39 5.75 -0.43 0.08 115.11 121.12 1ba2 h GLN 174 Ca 0.07 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1ba2 h GLN 174 Cb 0.18 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1ba2 h GLN 174 CO -0.00 0.21 0.10 -0.91 -2.65 0.00 0.00 178.83 175.58 1ba2 h ASN 175 N 0.33 0.12 1.32 -0.69 2.35 -0.88 -2.79 115.58 115.33 1ba2 h ASN 175 Ca 0.24 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1ba2 h ASN 175 Cb 0.26 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1ba2 h ASN 175 CO -0.25 0.10 0.00 -0.07 -1.65 0.00 0.00 177.43 175.56 1ba2 h LEU 176 N 0.22 0.00 -0.34 1.61 3.38 -0.51 -3.08 115.31 116.59 1ba2 h LEU 176 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1ba2 h LEU 176 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ba2 h LEU 176 CO -0.11 0.00 -0.67 -0.07 0.09 0.00 0.00 178.44 177.68 1ba2 h LEU 177 N 0.00 0.73 -0.83 1.67 3.38 -0.73 0.72 115.31 120.26 1ba2 h LEU 177 Ca 0.00 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1ba2 h LEU 177 Cb 0.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ba2 h LEU 177 CO 0.00 1.21 0.23 0.71 0.09 0.00 0.00 178.44 180.68 1ba2 h THR 178 N 0.46 1.26 -0.03 0.22 1.35 -1.43 -2.95 112.91 111.79 1ba2 h THR 178 Ca -0.02 -0.87 -0.25 0.00 -0.55 0.00 0.00 66.41 64.71 1ba2 h THR 178 Cb 1.26 0.45 0.02 0.00 -1.73 0.00 0.00 68.15 68.15 1ba2 h THR 178 CO 0.13 0.34 -0.97 0.00 -0.25 0.00 0.00 175.52 174.77 1ba2 h ALA 179 N 1.18 0.15 -2.78 6.62 0.00 -1.58 -3.41 119.26 119.45 1ba2 h ALA 179 Ca 0.24 -0.67 -0.61 0.00 0.00 0.00 0.00 54.91 53.87 1ba2 h ALA 179 Cb 0.28 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 1ba2 h ALA 179 CO -0.01 0.66 -0.74 -1.01 0.00 0.00 0.00 179.25 178.15 1ba2 s HIS 180 N -3.39 2.53 0.01 0.00 3.76 0.24 -4.95 115.29 113.48 1ba2 s HIS 180 Ca -0.10 -2.92 0.32 0.00 -0.15 0.00 0.00 55.06 52.21 1ba2 s HIS 180 Cb 0.07 -1.95 1.33 0.00 1.11 0.00 0.00 32.58 33.13 1ba2 s HIS 180 CO 0.91 -0.66 1.94 -1.00 -0.85 0.00 0.00 174.74 175.08 1ba2 h PRO 181 N 5.49 0.00 -0.21 8.40 0.13 -1.76 -2.64 132.00 141.41 1ba2 h PRO 181 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1ba2 h PRO 181 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ba2 h PRO 181 CO 0.57 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 1ba2 n ASP 182 N -2.92 1.57 -4.69 1.44 5.75 -1.26 -4.93 116.55 111.51 1ba2 n ASP 182 Ca 0.01 -1.78 -0.44 0.00 -0.01 0.00 0.00 54.79 52.57 1ba2 n ASP 182 Cb 0.28 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.29 1.17 -0.11 2.12 3.14 -1.00 -4.84 118.33 119.09 1ba2 n VAL 183 Ca 0.14 -0.29 -0.14 0.00 -2.96 0.00 0.00 64.34 61.09 1ba2 n VAL 183 Cb 0.29 -1.58 -0.14 0.00 -1.06 0.00 0.00 33.84 31.36 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 1.76 0.67 -3.77 1.45 6.02 0.15 -4.83 117.38 118.83 1ba2 n GLN 184 Ca 0.10 0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1ba2 n GLN 184 Cb 0.33 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.51 -0.61 -0.06 -1.58 0.00 -0.91 -1.92 121.76 114.17 1ba2 s ALA 185 Ca -0.22 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1ba2 s ALA 185 Cb 0.07 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1ba2 s ALA 185 CO 0.72 -0.44 -0.14 0.08 0.00 0.00 0.00 175.76 175.98 1ba2 s VAL 186 N -2.84 1.23 -0.37 0.00 1.01 0.36 -1.36 120.40 118.41 1ba2 s VAL 186 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1ba2 s VAL 186 Cb 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1ba2 s VAL 186 CO -0.05 0.37 0.19 0.12 0.00 0.00 0.00 175.10 175.73 1ba2 s PHE 187 N 0.55 3.27 -0.21 5.22 5.36 0.04 -0.47 117.98 131.73 1ba2 s PHE 187 Ca -0.13 -1.20 -0.09 0.00 -0.96 0.00 0.00 56.93 54.54 1ba2 s PHE 187 Cb -0.15 -2.50 -0.05 0.00 -0.34 0.00 0.00 43.02 39.98 1ba2 s PHE 187 CO 0.04 -0.71 0.12 0.00 -1.46 0.00 0.00 175.22 173.21 1ba2 s ALA 188 N 1.49 3.56 -1.74 11.12 0.00 -0.02 -0.65 121.76 135.52 1ba2 s ALA 188 Ca 0.01 -0.80 0.13 0.00 0.00 0.00 0.00 51.96 51.29 1ba2 s ALA 188 Cb -0.20 -2.16 0.70 0.00 0.00 0.00 0.00 23.12 21.45 1ba2 s ALA 188 CO 0.05 -0.01 1.24 1.04 0.00 0.00 0.00 175.76 178.08 1ba2 n GLN 189 N 3.90 0.30 -3.90 0.00 6.02 0.35 -3.83 117.38 120.21 1ba2 n GLN 189 Ca -0.16 0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 1ba2 n GLN 189 Cb 0.52 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 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 -2.26 -0.06 0.21 1.08 4.22 -1.26 -4.62 114.94 112.24 1ba2 s ASN 190 Ca 0.16 -0.76 -0.06 0.00 -2.14 0.00 0.00 52.86 50.05 1ba2 s ASN 190 Cb 0.09 0.49 0.16 0.00 1.28 0.00 0.00 41.25 43.27 1ba2 s ASN 190 CO 0.17 -0.97 1.67 0.44 -2.04 0.00 0.00 177.10 176.37 1ba2 h ASP 191 N 2.41 0.94 -0.45 3.54 3.32 -1.11 -2.45 116.42 122.63 1ba2 h ASP 191 Ca -0.30 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 56.55 1ba2 h ASP 191 Cb 1.24 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 1ba2 h ASP 191 CO 0.44 1.02 0.12 -0.33 -1.72 0.00 0.00 179.24 178.76 1ba2 h GLU 192 N 0.88 0.26 -0.34 3.56 4.39 -1.86 0.62 114.58 122.08 1ba2 h GLU 192 Ca 0.16 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1ba2 h GLU 192 Cb 0.56 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1ba2 h GLU 192 CO 0.03 0.17 -0.21 0.52 -1.16 0.00 0.00 179.01 178.36 1ba2 h MET 193 N 0.27 0.66 -0.63 2.33 2.86 -1.70 -1.97 114.93 116.75 1ba2 h MET 193 Ca 0.22 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1ba2 h MET 193 Cb 0.25 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1ba2 h MET 193 CO -0.26 0.82 0.18 0.00 1.06 0.00 0.00 176.91 178.72 1ba2 h ALA 194 N 1.18 1.13 -0.24 6.32 0.00 -0.85 -1.27 119.26 125.52 1ba2 h ALA 194 Ca 0.09 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1ba2 h ALA 194 Cb 0.68 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ba2 h ALA 194 CO 0.05 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.34 1ba2 h LEU 195 N 0.94 0.72 -0.11 0.00 3.38 -0.67 -0.87 115.31 118.71 1ba2 h LEU 195 Ca 0.21 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ba2 h LEU 195 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ba2 h LEU 195 CO -0.01 1.09 0.01 1.23 0.09 0.00 0.00 178.44 180.85 1ba2 h GLY 196 N 0.97 0.19 0.70 0.83 0.00 -1.16 -2.31 103.07 102.28 1ba2 h GLY 196 Ca 0.03 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.28 1ba2 h GLY 196 CO 0.10 0.12 0.48 0.00 0.00 0.00 0.00 176.54 177.24 1ba2 h ALA 197 N 0.77 1.10 -0.84 3.60 0.00 -1.09 -2.02 119.26 120.78 1ba2 h ALA 197 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ba2 h ALA 197 Cb 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ba2 h ALA 197 CO 0.00 0.20 0.55 -0.07 0.00 0.00 0.00 179.25 179.93 1ba2 h LEU 198 N 0.88 0.98 -0.64 0.00 3.38 -1.01 -1.17 115.31 117.72 1ba2 h LEU 198 Ca 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1ba2 h LEU 198 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1ba2 h LEU 198 CO -0.18 0.72 0.38 -0.09 0.09 0.00 0.00 178.44 179.36 1ba2 h ARG 199 N 1.14 0.87 -0.46 1.13 9.65 -0.83 0.01 114.38 125.89 1ba2 h ARG 199 Ca 0.31 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1ba2 h ARG 199 Cb -0.11 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.26 1ba2 h ARG 199 CO -0.06 0.63 0.30 0.00 2.80 0.00 0.00 179.97 183.63 1ba2 h ALA 200 N 1.19 0.59 -0.73 2.80 0.00 -0.70 -0.50 119.26 121.92 1ba2 h ALA 200 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ba2 h ALA 200 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ba2 h ALA 200 CO -0.04 0.05 0.23 -0.07 0.00 0.00 0.00 179.25 179.41 1ba2 h LEU 201 N 0.62 1.06 0.05 0.00 3.38 -1.06 -1.93 115.31 117.43 1ba2 h LEU 201 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ba2 h LEU 201 Cb -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1ba2 h LEU 201 CO -0.04 0.98 -0.02 -0.61 0.09 0.00 0.00 178.44 178.84 1ba2 h GLN 202 N 1.07 -0.06 -0.73 1.13 5.75 -0.63 0.37 115.11 122.00 1ba2 h GLN 202 Ca 0.23 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.77 1ba2 h GLN 202 Cb 0.30 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1ba2 h GLN 202 CO -0.01 0.06 0.48 1.15 -2.65 0.00 0.00 178.83 177.86 1ba2 h THR 203 N -0.17 1.11 0.00 2.39 2.02 -0.97 -1.34 112.91 115.95 1ba2 h THR 203 Ca -0.01 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1ba2 h THR 203 Cb 0.15 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1ba2 h THR 203 CO 0.01 0.16 -0.01 0.00 0.37 0.00 0.00 175.52 176.05 1ba2 n ALA 204 N -2.43 2.35 -1.73 6.16 0.00 -0.74 -4.92 120.51 119.20 1ba2 n ALA 204 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ba2 n ALA 204 Cb 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.47 0.51 2.82 0.00 0.00 -0.51 -5.02 105.19 104.46 1ba2 n GLY 205 Ca 0.07 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1ba2 n GLY 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba2 n LYS 206 N -1.19 2.40 0.00 1.61 4.76 0.12 -4.87 118.16 120.99 1ba2 n LYS 206 Ca 0.00 -4.55 0.13 0.00 -2.87 0.00 0.00 58.31 51.02 1ba2 n LYS 206 Cb 0.41 -2.32 0.50 0.00 -1.84 0.00 0.00 35.03 31.77 1ba2 n LYS 206 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ba2 n SER 207 N 1.67 0.30 0.04 4.39 3.41 -1.26 -3.57 113.62 118.59 1ba2 n SER 207 Ca 0.24 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1ba2 n SER 207 Cb 0.37 -0.13 0.53 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.35 0.30 -4.68 4.04 5.75 -1.26 -4.78 116.55 114.57 1ba2 n ASP 208 Ca 0.09 0.53 -0.42 0.00 -0.01 0.00 0.00 54.79 54.97 1ba2 n ASP 208 Cb 0.32 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 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 -3.04 4.78 -0.36 2.12 1.01 -1.23 -4.97 120.40 118.70 1ba2 s VAL 209 Ca 0.12 1.98 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 1ba2 s VAL 209 Cb 0.16 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1ba2 s VAL 209 CO 0.53 -0.02 0.78 -0.32 0.00 0.00 0.00 175.10 176.08 1ba2 s MET 210 N 2.21 3.75 -0.17 2.72 1.75 -0.81 -4.93 119.30 123.82 1ba2 s MET 210 Ca 0.46 0.31 -0.05 0.00 -1.25 0.00 0.00 55.69 55.16 1ba2 s MET 210 Cb -0.17 -3.81 -0.03 0.00 2.84 0.00 0.00 34.83 33.65 1ba2 s MET 210 CO 0.15 -0.85 -0.00 0.08 -0.65 0.00 0.00 175.02 173.75 1ba2 s VAL 211 N 3.10 4.19 -0.15 10.11 1.01 -1.26 -0.49 120.40 136.91 1ba2 s VAL 211 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1ba2 s VAL 211 Cb -0.13 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1ba2 s VAL 211 CO 0.17 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 1ba2 s VAL 212 N 0.37 2.85 0.00 2.92 1.01 0.38 -1.09 120.40 126.84 1ba2 s VAL 212 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1ba2 s VAL 212 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1ba2 s VAL 212 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ba2 n GLY 213 N 3.96 1.83 3.64 4.51 0.00 -0.07 -0.84 105.19 118.23 1ba2 n GLY 213 Ca -0.19 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 2.39 -0.74 0.00 1.61 2.19 -1.25 -3.93 117.98 118.25 1ba2 s PHE 214 Ca 0.00 1.59 0.00 0.00 0.33 0.00 0.00 56.93 58.85 1ba2 s PHE 214 Cb 0.00 0.42 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1ba2 s PHE 214 CO 0.00 -0.36 0.00 -0.25 1.83 0.00 0.00 175.22 176.44 1ba2 n ASP 215 N 3.32 0.00 -2.35 6.13 8.00 0.24 -0.57 116.55 131.31 1ba2 n ASP 215 Ca -0.17 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 1ba2 n ASP 215 Cb 0.57 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.06 3.81 0.44 0.00 -1.13 -4.48 105.19 103.89 1ba2 n GLY 216 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.19 3.84 0.21 2.61 -4.23 -1.26 -4.74 115.64 108.88 1ba2 s THR 217 Ca 0.33 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.34 1ba2 s THR 217 Cb -0.15 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.57 1ba2 s THR 217 CO 0.43 -0.78 1.68 -0.65 -0.54 0.00 0.00 174.62 174.76 1ba2 h PRO 218 N -0.81 0.16 -0.23 3.99 0.11 -1.98 0.25 132.00 133.50 1ba2 h PRO 218 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1ba2 h PRO 218 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ba2 h PRO 218 CO 0.56 0.11 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.81 1ba2 h ASP 219 N 0.17 0.40 -0.33 -2.05 3.32 -1.98 0.97 116.42 116.91 1ba2 h ASP 219 Ca 0.32 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 1ba2 h ASP 219 Cb 0.52 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ba2 h ASP 219 CO -0.48 0.62 -0.23 1.23 -1.72 0.00 0.00 179.24 178.66 1ba2 h GLY 220 N 0.97 0.80 1.00 2.75 0.00 -1.51 -0.74 103.07 106.34 1ba2 h GLY 220 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1ba2 h GLY 220 CO 0.04 0.69 0.31 0.83 0.00 0.00 0.00 176.54 178.41 1ba2 h GLU 221 N 0.51 0.63 -0.60 4.80 5.08 -0.31 -1.73 114.58 122.96 1ba2 h GLU 221 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ba2 h GLU 221 Cb 0.78 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ba2 h GLU 221 CO 0.06 0.42 0.39 -0.22 -1.00 0.00 0.00 179.01 178.66 1ba2 h LYS 222 N 0.64 0.79 -0.50 2.33 3.64 -0.60 -0.81 116.57 122.07 1ba2 h LYS 222 Ca 0.17 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ba2 h LYS 222 Cb -0.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1ba2 h LYS 222 CO -0.04 0.54 0.26 0.00 -2.27 0.00 0.00 179.45 177.94 1ba2 h ALA 223 N 1.21 1.52 0.12 5.00 0.00 -0.79 0.16 119.26 126.47 1ba2 h ALA 223 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ba2 h ALA 223 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ba2 h ALA 223 CO -0.05 0.40 -0.06 0.28 0.00 0.00 0.00 179.25 179.82 1ba2 h VAL 224 N 0.69 1.08 -0.95 0.00 2.07 -0.95 -0.20 116.25 117.98 1ba2 h VAL 224 Ca 0.18 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1ba2 h VAL 224 Cb 0.05 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1ba2 h VAL 224 CO -0.03 0.21 0.59 0.78 0.02 0.00 0.00 177.57 179.14 1ba2 h ASN 225 N -0.58 0.90 0.26 0.57 2.35 -0.77 0.02 115.58 118.34 1ba2 h ASN 225 Ca -0.02 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ba2 h ASN 225 Cb 0.46 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ba2 h ASN 225 CO 0.03 0.52 0.00 0.47 -1.65 0.00 0.00 177.43 176.80 1ba2 n ASP 226 N -4.61 0.00 -0.06 5.81 8.00 0.54 -4.88 116.55 121.35 1ba2 n ASP 226 Ca 0.16 -0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 1ba2 n ASP 226 Cb 0.27 -0.19 -0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.48 0.48 0.11 0.44 0.00 -0.01 -4.92 105.19 101.77 1ba2 n GLY 227 Ca 0.12 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.74 0.59 -3.16 1.61 5.02 -0.36 -4.88 118.16 114.23 1ba2 n LYS 228 Ca -0.01 0.51 -0.39 0.00 -2.02 0.00 0.00 58.31 56.40 1ba2 n LYS 228 Cb 0.05 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.29 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 -7.74 4.27 0.19 -0.35 2.96 -0.23 -4.77 118.68 113.01 1ba2 s LEU 229 Ca -0.29 0.98 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 1ba2 s LEU 229 Cb 0.07 -2.90 0.09 0.00 0.50 0.00 0.00 46.19 43.96 1ba2 s LEU 229 CO 0.60 -0.10 1.69 0.00 -1.32 0.00 0.00 176.35 177.22 1ba2 h ALA 230 N 6.86 0.88 -2.59 5.97 0.00 -1.44 -3.37 119.26 125.58 1ba2 h ALA 230 Ca -0.39 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.33 1ba2 h ALA 230 Cb 1.18 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 1ba2 h ALA 230 CO 0.76 0.65 0.38 0.00 0.00 0.00 0.00 179.25 181.03 1ba2 s ALA 231 N -5.22 -1.65 0.16 0.00 0.00 -1.22 -4.49 121.76 109.33 1ba2 s ALA 231 Ca -0.12 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1ba2 s ALA 231 Cb 0.14 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1ba2 s ALA 231 CO 0.85 -0.82 0.03 -0.08 0.00 0.00 0.00 175.76 175.74 1ba2 s THR 232 N -3.43 0.38 -0.20 0.00 -1.32 -0.82 -0.89 115.64 109.36 1ba2 s THR 232 Ca 0.06 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 1ba2 s THR 232 Cb -0.02 -2.11 0.02 0.00 -1.51 0.00 0.00 72.50 68.88 1ba2 s THR 232 CO -0.06 -0.45 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.12 1ba2 s ILE 233 N -3.86 2.39 0.08 5.08 -1.09 -1.25 -0.11 121.20 122.44 1ba2 s ILE 233 Ca 0.25 -0.93 0.05 0.00 -2.23 0.00 0.00 60.65 57.79 1ba2 s ILE 233 Cb 0.07 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1ba2 s ILE 233 CO 0.03 0.44 -0.01 0.00 -1.23 0.00 0.00 174.94 174.17 1ba2 s ALA 234 N 1.31 3.25 0.61 9.38 0.00 0.16 -0.60 121.76 135.88 1ba2 s ALA 234 Ca 0.04 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1ba2 s ALA 234 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1ba2 s ALA 234 CO -0.10 0.69 1.05 -0.65 0.00 0.00 0.00 175.76 176.76 1ba2 s GLN 235 N -2.23 3.26 -0.65 0.00 -0.21 -1.26 -1.29 119.66 117.28 1ba2 s GLN 235 Ca 0.25 1.14 -0.01 0.00 0.02 0.00 0.00 55.36 56.76 1ba2 s GLN 235 Cb -0.12 -2.03 0.16 0.00 1.00 0.00 0.00 33.01 32.03 1ba2 s GLN 235 CO 0.17 -0.85 0.45 -0.51 -2.12 0.00 0.00 175.29 172.43 1ba2 s LEU 236 N -4.71 5.07 0.23 2.90 1.43 -1.26 -4.80 118.68 117.54 1ba2 s LEU 236 Ca 0.62 -3.07 -0.06 0.00 -1.03 0.00 0.00 54.13 50.58 1ba2 s LEU 236 Cb -0.15 -1.81 0.33 0.00 0.03 0.00 0.00 46.19 44.60 1ba2 s LEU 236 CO 0.41 -0.30 1.81 1.55 0.23 0.00 0.00 176.35 180.05 1ba2 h PRO 237 N 6.67 0.74 -0.96 1.29 0.13 -1.92 -2.11 132.00 135.85 1ba2 h PRO 237 Ca 0.01 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 1ba2 h PRO 237 Cb 0.91 -0.17 -0.08 0.00 0.13 0.00 0.00 31.00 31.80 1ba2 h PRO 237 CO 0.72 0.49 0.60 0.38 -0.23 0.00 0.00 178.00 179.96 1ba2 h ASP 238 N 0.76 0.89 0.67 1.44 2.03 -1.85 -1.14 116.42 119.23 1ba2 h ASP 238 Ca 0.36 0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.61 1ba2 h ASP 238 Cb 0.29 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1ba2 h ASP 238 CO -0.22 0.51 -0.44 1.56 -1.03 0.00 0.00 179.24 179.62 1ba2 h GLN 239 N 0.99 0.00 -0.13 4.15 1.08 -1.70 -0.06 115.11 119.43 1ba2 h GLN 239 Ca 0.46 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.63 1ba2 h GLN 239 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1ba2 h GLN 239 CO -0.24 0.44 -0.03 0.82 -0.95 0.00 0.00 178.83 178.86 1ba2 h ILE 240 N 0.00 1.29 -0.20 2.54 2.04 -0.97 -0.11 117.51 122.10 1ba2 h ILE 240 Ca -0.00 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1ba2 h ILE 240 Cb 0.89 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1ba2 h ILE 240 CO 0.06 0.29 -0.10 1.23 0.00 0.00 0.00 178.15 179.63 1ba2 h GLY 241 N -0.05 0.08 0.87 5.37 0.00 -1.12 -0.83 103.07 107.38 1ba2 h GLY 241 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1ba2 h GLY 241 CO 0.01 -0.12 0.20 0.00 0.00 0.00 0.00 176.54 176.64 1ba2 h ALA 242 N 1.11 0.46 -0.27 3.60 0.00 -0.91 -2.10 119.26 121.15 1ba2 h ALA 242 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ba2 h ALA 242 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ba2 h ALA 242 CO -0.25 -0.15 -0.02 -0.22 0.00 0.00 0.00 179.25 178.60 1ba2 h LYS 243 N 0.41 0.41 0.18 0.00 1.63 -0.72 -1.20 116.57 117.28 1ba2 h LYS 243 Ca 0.15 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ba2 h LYS 243 Cb 0.04 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1ba2 h LYS 243 CO -0.09 0.46 -0.15 0.78 -3.45 0.00 0.00 179.45 177.00 1ba2 h GLY 244 N 0.75 -0.34 0.97 5.01 0.00 -0.50 -0.44 103.07 108.53 1ba2 h GLY 244 Ca 0.09 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1ba2 h GLY 244 CO 0.01 -0.15 0.21 -2.08 0.00 0.00 0.00 176.54 174.54 1ba2 h VAL 245 N -0.34 1.21 -0.90 4.60 2.07 -1.12 0.66 116.25 122.43 1ba2 h VAL 245 Ca -0.01 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1ba2 h VAL 245 Cb 0.31 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1ba2 h VAL 245 CO -0.02 0.24 0.59 -0.08 0.02 0.00 0.00 177.57 178.32 1ba2 h GLU 246 N 0.68 1.05 -0.03 1.57 4.81 -1.07 0.21 114.58 121.81 1ba2 h GLU 246 Ca 0.17 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.13 1ba2 h GLU 246 Cb 0.18 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ba2 h GLU 246 CO -0.02 0.70 -0.86 1.15 -0.73 0.00 0.00 179.01 179.25 1ba2 h THR 247 N 1.08 1.40 -0.57 0.32 2.02 -0.78 -2.95 112.91 113.45 1ba2 h THR 247 Ca 0.37 -2.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.12 1ba2 h THR 247 Cb 0.08 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1ba2 h THR 247 CO -0.12 0.70 0.08 0.00 0.37 0.00 0.00 175.52 176.55 1ba2 h ALA 248 N 0.83 1.07 -0.15 6.16 0.00 0.19 -0.86 119.26 126.51 1ba2 h ALA 248 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ba2 h ALA 248 Cb 1.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1ba2 h ALA 248 CO 0.15 0.60 -0.03 0.22 0.00 0.00 0.00 179.25 180.19 1ba2 h ASP 249 N 0.86 -0.12 -0.55 0.00 3.58 -0.59 0.27 116.42 119.88 1ba2 h ASP 249 Ca 0.18 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1ba2 h ASP 249 Cb 0.40 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1ba2 h ASP 249 CO 0.01 -0.04 0.32 0.11 -2.88 0.00 0.00 179.24 176.76 1ba2 h LYS 250 N 0.01 0.75 -0.41 0.28 1.57 -1.29 -2.26 116.57 115.22 1ba2 h LYS 250 Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ba2 h LYS 250 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1ba2 h LYS 250 CO -0.15 0.56 0.20 0.28 -0.57 0.00 0.00 179.45 179.77 1ba2 h VAL 251 N 0.73 1.17 -0.71 0.50 2.07 -0.75 -1.27 116.25 118.00 1ba2 h VAL 251 Ca 0.19 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1ba2 h VAL 251 Cb 0.01 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1ba2 h VAL 251 CO -0.03 0.18 0.47 -0.07 0.02 0.00 0.00 177.57 178.14 1ba2 h LEU 252 N 0.52 0.74 0.00 2.57 3.38 -0.77 -0.57 115.31 121.18 1ba2 h LEU 252 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ba2 h LEU 252 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ba2 h LEU 252 CO -0.02 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.31 1ba2 n LYS 253 N -4.46 0.03 -0.35 1.13 5.02 -0.87 -4.88 118.16 113.79 1ba2 n LYS 253 Ca 0.09 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1ba2 n LYS 253 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.70 0.79 3.77 0.72 0.00 -0.22 -5.06 105.19 105.89 1ba2 n GLY 254 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.65 3.57 -0.37 1.61 2.02 -0.51 -4.98 118.70 119.39 1ba2 s GLU 255 Ca 0.00 1.65 -0.24 0.00 0.02 0.00 0.00 54.97 56.40 1ba2 s GLU 255 Cb 0.00 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1ba2 s GLU 255 CO 0.00 -0.68 0.82 0.15 0.02 0.00 0.00 175.26 175.57 1ba2 s LYS 256 N -3.03 3.75 0.35 1.61 1.02 -1.26 -4.43 119.74 117.76 1ba2 s LYS 256 Ca 0.68 0.35 0.07 0.00 0.02 0.00 0.00 55.97 57.10 1ba2 s LYS 256 Cb -0.25 -3.82 -0.02 0.00 -0.52 0.00 0.00 37.83 33.23 1ba2 s LYS 256 CO 0.29 -0.90 0.40 0.14 -0.92 0.00 0.00 175.35 174.36 1ba2 s VAL 257 N 3.22 3.56 0.56 3.17 -7.23 -1.26 -5.08 120.40 117.34 1ba2 s VAL 257 Ca 0.33 -1.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 1ba2 s VAL 257 Cb -0.13 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 1ba2 s VAL 257 CO 0.18 -0.13 1.03 -1.10 -0.31 0.00 0.00 175.10 174.78 1ba2 s GLN 258 N -4.12 3.55 0.43 4.82 -0.21 -1.26 -4.95 119.66 117.92 1ba2 s GLN 258 Ca 0.45 1.14 0.16 0.00 0.02 0.00 0.00 55.36 57.14 1ba2 s GLN 258 Cb -0.07 -2.07 0.95 0.00 1.00 0.00 0.00 33.01 32.82 1ba2 s GLN 258 CO 0.29 -0.61 1.92 0.00 -2.12 0.00 0.00 175.29 174.77 1ba2 h ALA 259 N 0.69 1.46 -3.85 6.09 0.00 -1.95 -3.41 119.26 118.29 1ba2 h ALA 259 Ca -0.47 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 53.90 1ba2 h ALA 259 Cb 1.21 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1ba2 h ALA 259 CO 0.59 0.33 -0.75 0.15 0.00 0.00 0.00 179.25 179.57 1ba2 s LYS 260 N -4.32 0.32 -0.14 0.00 1.02 -1.26 0.24 119.74 115.61 1ba2 s LYS 260 Ca -0.03 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1ba2 s LYS 260 Cb 0.14 -0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 1ba2 s LYS 260 CO 0.69 0.08 -0.15 0.71 -0.92 0.00 0.00 175.35 175.76 1ba2 s TYR 261 N -0.05 2.13 0.34 3.18 2.02 -0.46 -4.92 117.35 119.59 1ba2 s TYR 261 Ca 0.01 -1.14 -0.27 0.00 -0.37 0.00 0.00 57.07 55.31 1ba2 s TYR 261 Cb -0.02 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.90 1ba2 s TYR 261 CO -0.00 -0.61 1.07 -1.25 -1.57 0.00 0.00 175.55 173.19 1ba2 s PRO 262 N 1.30 4.40 -0.07 -1.71 0.04 -1.26 -2.90 135.00 134.80 1ba2 s PRO 262 Ca 0.01 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1ba2 s PRO 262 Cb -0.14 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 1ba2 s PRO 262 CO -0.07 0.03 -0.23 0.08 0.04 0.00 0.00 177.00 176.85 1ba2 s VAL 263 N -1.40 1.94 0.85 -0.36 1.01 -0.07 -4.88 120.40 117.49 1ba2 s VAL 263 Ca 0.51 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1ba2 s VAL 263 Cb -0.27 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1ba2 s VAL 263 CO 0.34 0.54 1.12 0.47 0.00 0.00 0.00 175.10 177.57 1ba2 n ASP 264 N 3.27 0.54 -4.37 3.32 8.00 -1.26 -0.55 116.55 125.49 1ba2 n ASP 264 Ca -0.18 0.52 -0.21 0.00 0.71 0.00 0.00 54.79 55.62 1ba2 n ASP 264 Cb 0.52 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 1ba2 n ASP 264 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ba2 s LEU 265 N -5.54 2.54 0.08 0.64 1.02 -1.26 -4.07 118.68 112.08 1ba2 s LEU 265 Ca 0.70 -0.99 0.08 0.00 0.02 0.00 0.00 54.13 53.94 1ba2 s LEU 265 Cb -0.27 -0.82 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 1ba2 s LEU 265 CO 0.54 -0.08 -0.19 -1.59 0.02 0.00 0.00 176.35 175.05 1ba2 s LYS 266 N -3.42 1.92 0.24 1.70 -2.85 -0.41 -4.93 119.74 111.98 1ba2 s LYS 266 Ca 0.23 -1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 53.82 1ba2 s LYS 266 Cb -0.03 -2.14 -0.09 0.00 -2.06 0.00 0.00 37.83 33.51 1ba2 s LYS 266 CO 0.09 0.51 1.11 -1.17 0.10 0.00 0.00 175.35 175.99 1ba2 s LEU 267 N -1.75 4.52 -0.28 2.77 2.96 -1.26 -0.66 118.68 124.98 1ba2 s LEU 267 Ca 0.16 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 1ba2 s LEU 267 Cb -0.10 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 43.03 1ba2 s LEU 267 CO 0.07 -0.19 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.16 1ba2 s VAL 268 N -0.79 2.49 0.37 1.68 1.01 0.84 -4.89 120.40 121.12 1ba2 s VAL 268 Ca 0.47 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1ba2 s VAL 268 Cb -0.31 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1ba2 s VAL 268 CO 0.39 -0.09 0.08 0.68 0.00 0.00 0.00 175.10 176.16 1ba2 s VAL 269 N 1.15 2.50 0.43 2.92 -7.23 -1.26 -1.95 120.40 116.96 1ba2 s VAL 269 Ca -0.07 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 1ba2 s VAL 269 Cb -0.20 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.75 1ba2 s VAL 269 CO -0.04 -0.11 1.31 -0.75 -0.31 0.00 0.00 175.10 175.20 1ba2 s LYS 270 N -3.79 3.85 0.00 4.82 2.20 -1.26 -4.92 119.74 120.63 1ba2 s LYS 270 Ca 0.37 2.16 0.04 0.00 -0.36 0.00 0.00 55.97 58.18 1ba2 s LYS 270 Cb 0.02 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1ba2 s LYS 270 CO 0.21 -0.59 0.63 1.04 -0.36 0.00 0.00 175.35 176.27