#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isb s PHE 2 N 0.00 2.85 0.01 0.66 0.08 -1.26 -5.05 117.98 115.27 1isb s PHE 2 Ca 0.00 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 56.99 1isb s PHE 2 Cb 0.00 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 1isb s PHE 2 CO 0.00 0.41 -0.02 -2.00 -0.10 0.00 0.00 175.22 173.51 1isb s GLU 3 N -1.87 2.70 -0.13 0.44 -6.30 -1.26 -4.94 118.70 107.34 1isb s GLU 3 Ca 0.20 -0.66 -0.29 0.00 -2.50 0.00 0.00 54.97 51.72 1isb s GLU 3 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 34.13 31.36 1isb s GLU 3 CO 0.12 0.61 1.65 -1.17 0.02 0.00 0.00 175.26 176.49 1isb s LEU 4 N -1.59 4.11 0.28 2.70 2.96 -1.26 -4.97 118.68 120.92 1isb s LEU 4 Ca 0.19 1.96 -0.29 0.00 -0.22 0.00 0.00 54.13 55.77 1isb s LEU 4 Cb -0.11 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.94 1isb s LEU 4 CO 0.10 -1.10 1.33 -2.84 -1.32 0.00 0.00 176.35 172.53 1isb s PRO 5 N 4.37 4.35 0.51 0.98 0.02 -1.26 -4.96 135.00 139.01 1isb s PRO 5 Ca 0.73 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 63.72 1isb s PRO 5 Cb -0.30 -3.11 -0.07 0.00 0.02 0.00 0.00 34.50 31.05 1isb s PRO 5 CO 0.29 -0.24 1.28 0.00 -0.33 0.00 0.00 177.00 178.00 1isb n ALA 6 N 1.56 1.33 -1.81 -1.55 0.00 -1.26 -4.97 120.51 113.82 1isb n ALA 6 Ca 0.03 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1isb n ALA 6 Cb 0.42 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1isb n ALA 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1isb s LEU 7 N -2.66 4.44 -0.00 0.00 2.96 -1.26 -4.92 118.68 117.24 1isb s LEU 7 Ca 0.68 2.60 0.01 0.00 -0.22 0.00 0.00 54.13 57.21 1isb s LEU 7 Cb -0.45 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.64 1isb s LEU 7 CO 0.52 -0.51 1.02 -0.81 -1.32 0.00 0.00 176.35 175.26 1isb n PRO 8 N 1.22 1.10 -3.87 0.98 -0.04 -1.26 -4.83 135.00 128.30 1isb n PRO 8 Ca 0.01 -0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 1isb n PRO 8 Cb 0.42 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 1isb n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1isb s TYR 9 N -1.92 0.01 0.70 0.54 -0.85 -1.26 -5.10 117.35 109.47 1isb s TYR 9 Ca 0.03 -0.41 -0.14 0.00 -0.52 0.00 0.00 57.07 56.03 1isb s TYR 9 Cb 0.02 0.45 0.02 0.00 0.38 0.00 0.00 41.96 42.83 1isb s TYR 9 CO 0.02 -1.07 1.12 0.00 -1.52 0.00 0.00 175.55 174.10 1isb s ALA 10 N -3.94 2.32 0.45 9.51 0.00 -1.26 -4.92 121.76 123.92 1isb s ALA 10 Ca 0.14 0.56 0.22 0.00 0.00 0.00 0.00 51.96 52.88 1isb s ALA 10 Cb -0.03 -3.34 1.22 0.00 0.00 0.00 0.00 23.12 20.96 1isb s ALA 10 CO 0.05 -1.54 1.85 0.87 0.00 0.00 0.00 175.76 177.00 1isb h LYS 11 N -0.32 0.27 -0.65 0.00 6.56 -1.98 -1.41 116.57 119.04 1isb h LYS 11 Ca -0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1isb h LYS 11 Cb 1.25 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1isb h LYS 11 CO 0.52 0.18 0.00 -0.40 -2.06 0.00 0.00 179.45 177.69 1isb n ASP 12 N -4.45 4.09 0.14 0.86 5.75 -1.26 -4.18 116.55 117.50 1isb n ASP 12 Ca 0.20 -2.17 0.13 0.00 -0.01 0.00 0.00 54.79 52.94 1isb n ASP 12 Cb 0.81 -0.49 0.45 0.00 -1.03 0.00 0.00 41.12 40.87 1isb n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isb h ALA 13 N 3.88 1.00 -0.02 2.12 0.00 -1.61 -3.01 119.26 121.62 1isb h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1isb h ALA 13 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1isb h ALA 13 CO 0.08 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.38 1isb n LEU 14 N -2.39 2.18 -4.77 0.00 4.77 -1.26 -4.32 117.00 111.21 1isb n LEU 14 Ca 0.03 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 1isb n LEU 14 Cb 0.34 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1isb n LEU 14 CO 0.26 0.38 1.00 0.00 -1.33 0.00 0.00 177.39 177.70 1isb s ALA 15 N -2.26 3.42 -2.31 -1.18 0.00 -0.94 -1.07 121.76 117.42 1isb s ALA 15 Ca 0.25 1.31 0.29 0.00 0.00 0.00 0.00 51.96 53.81 1isb s ALA 15 Cb 0.19 -3.51 1.31 0.00 0.00 0.00 0.00 23.12 21.12 1isb s ALA 15 CO 0.44 -0.80 1.89 -0.35 0.00 0.00 0.00 175.76 176.95 1isb n PRO 16 N 0.47 1.42 -0.12 0.00 -0.04 -1.26 -4.89 135.00 130.58 1isb n PRO 16 Ca 0.02 -0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 62.72 1isb n PRO 16 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1isb n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1isb h HIS 17 N 1.57 0.81 -3.30 0.54 3.86 -1.46 -3.39 115.15 113.78 1isb h HIS 17 Ca 0.00 -0.20 -0.47 0.00 -1.16 0.00 0.00 60.37 58.54 1isb h HIS 17 Cb 0.34 -0.19 -0.36 0.00 1.06 0.00 0.00 27.41 28.26 1isb h HIS 17 CO 0.00 0.91 -0.79 0.42 0.86 0.00 0.00 177.93 179.33 1isb s ILE 18 N -4.64 0.73 0.77 2.45 1.01 -0.87 -4.89 121.20 115.76 1isb s ILE 18 Ca -0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1isb s ILE 18 Cb 0.09 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.84 1isb s ILE 18 CO 0.81 0.30 1.09 -0.94 0.00 0.00 0.00 174.94 176.20 1isb s SER 19 N 1.46 4.59 0.37 3.58 1.04 -1.26 -2.21 113.70 121.26 1isb s SER 19 Ca -0.01 1.76 0.04 0.00 0.48 0.00 0.00 55.95 58.22 1isb s SER 19 Cb -0.13 -2.49 0.71 0.00 0.10 0.00 0.00 66.02 64.21 1isb s SER 19 CO -0.04 -1.97 1.99 0.00 0.98 0.00 0.00 173.24 174.20 1isb h ALA 20 N -1.09 1.56 -0.46 5.32 0.00 -1.90 -2.30 119.26 120.39 1isb h ALA 20 Ca -0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1isb h ALA 20 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1isb h ALA 20 CO 0.53 0.37 0.14 1.49 0.00 0.00 0.00 179.25 181.78 1isb h GLU 21 N 0.66 0.72 -0.85 0.00 4.81 -1.93 -0.68 114.58 117.31 1isb h GLU 21 Ca 0.17 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1isb h GLU 21 Cb 0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1isb h GLU 21 CO -0.03 0.70 0.48 1.15 -0.73 0.00 0.00 179.01 180.58 1isb h THR 22 N 0.61 1.25 -0.51 0.32 2.02 -1.83 -2.09 112.91 112.68 1isb h THR 22 Ca 0.15 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1isb h THR 22 Cb 0.28 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1isb h THR 22 CO -0.00 0.27 0.06 0.40 0.37 0.00 0.00 175.52 176.61 1isb h ILE 23 N 1.18 1.26 -0.71 3.11 5.03 -1.13 0.17 117.51 126.42 1isb h ILE 23 Ca 0.30 -0.98 0.12 0.00 -0.12 0.00 0.00 64.86 64.18 1isb h ILE 23 Cb 0.01 0.90 -0.09 0.00 -3.03 0.00 0.00 36.82 34.61 1isb h ILE 23 CO -0.05 0.35 0.28 -0.08 -0.68 0.00 0.00 178.15 177.97 1isb h GLU 24 N 0.73 0.43 0.01 2.37 4.81 -0.79 0.11 114.58 122.25 1isb h GLU 24 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1isb h GLU 24 Cb 0.44 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1isb h GLU 24 CO 0.01 0.28 -0.25 1.88 -0.73 0.00 0.00 179.01 180.21 1isb h TYR 25 N 0.44 0.04 -0.30 0.92 0.05 -1.16 -2.18 116.97 114.78 1isb h TYR 25 Ca 0.38 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 1isb h TYR 25 Cb 0.53 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1isb h TYR 25 CO -0.17 1.10 0.08 1.25 -1.05 0.00 0.00 178.16 179.37 1isb h HIS 26 N -0.95 0.49 0.00 4.88 2.76 -0.59 0.14 115.15 121.87 1isb h HIS 26 Ca -0.06 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 1isb h HIS 26 Cb 1.09 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1isb h HIS 26 CO 0.25 0.51 -0.40 -0.92 -1.30 0.00 0.00 177.93 176.07 1isb h TYR 27 N 0.32 0.00 0.00 5.26 3.20 -0.97 -0.72 116.97 124.05 1isb h TYR 27 Ca 0.09 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1isb h TYR 27 Cb 0.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1isb h TYR 27 CO 0.01 0.67 -0.29 0.78 -1.64 0.00 0.00 178.16 177.69 1isb h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.23 -2.64 103.07 100.02 1isb h GLY 28 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1isb h GLY 28 CO -0.05 0.00 -0.95 0.28 0.00 0.00 0.00 176.54 175.82 1isb n LYS 29 N -3.84 0.10 0.01 4.80 5.02 0.29 -4.52 118.16 120.02 1isb n LYS 29 Ca -0.01 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1isb n LYS 29 Cb 0.38 -0.67 -0.09 0.00 -0.02 0.00 0.00 35.03 34.62 1isb n LYS 29 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1isb h HIS 30 N -0.18 -0.06 -0.47 2.13 3.86 -1.01 -1.42 115.15 118.00 1isb h HIS 30 Ca -0.09 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1isb h HIS 30 Cb 0.83 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1isb h HIS 30 CO -0.03 0.40 -0.11 1.25 0.86 0.00 0.00 177.93 180.30 1isb h HIS 31 N -0.55 1.01 -0.61 2.45 -0.00 -1.10 -2.38 115.15 113.98 1isb h HIS 31 Ca -0.01 -0.22 0.05 0.00 -0.00 0.00 0.00 60.37 60.20 1isb h HIS 31 Cb 0.49 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.60 1isb h HIS 31 CO 0.09 0.99 0.34 0.37 -0.00 0.00 0.00 177.93 179.71 1isb h GLN 32 N 0.75 0.63 -0.57 5.26 5.75 -1.51 -2.64 115.11 122.77 1isb h GLN 32 Ca 0.12 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1isb h GLN 32 Cb 0.65 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1isb h GLN 32 CO 0.05 0.41 0.28 1.15 -2.65 0.00 0.00 178.83 178.07 1isb h THR 33 N 0.64 1.19 -0.55 2.39 2.02 -0.84 -1.65 112.91 116.11 1isb h THR 33 Ca 0.27 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1isb h THR 33 Cb 0.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1isb h THR 33 CO -0.16 0.22 0.09 1.88 0.37 0.00 0.00 175.52 177.92 1isb h TYR 34 N 0.80 0.92 -0.21 3.16 0.05 -1.09 0.13 116.97 120.74 1isb h TYR 34 Ca 0.20 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1isb h TYR 34 Cb 0.08 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1isb h TYR 34 CO 0.01 0.80 -0.04 0.28 -1.05 0.00 0.00 178.16 178.15 1isb h VAL 35 N 0.84 1.28 -0.63 -2.88 2.07 -1.17 -1.27 116.25 114.48 1isb h VAL 35 Ca 0.17 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1isb h VAL 35 Cb 0.37 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1isb h VAL 35 CO 0.01 0.31 0.37 0.74 0.02 0.00 0.00 177.57 179.02 1isb h THR 36 N 0.14 1.19 -0.46 2.57 2.02 -1.18 -1.28 112.91 115.90 1isb h THR 36 Ca 0.06 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1isb h THR 36 Cb 0.48 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1isb h THR 36 CO 0.02 0.20 -0.15 0.78 0.37 0.00 0.00 175.52 176.74 1isb h ASN 37 N 0.86 0.88 -0.08 4.18 -0.26 -0.87 -2.05 115.58 118.24 1isb h ASN 37 Ca 0.23 -0.29 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1isb h ASN 37 Cb -0.01 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.01 1isb h ASN 37 CO -0.04 1.03 0.02 0.25 -1.06 0.00 0.00 177.43 177.63 1isb h LEU 38 N 0.78 0.11 -1.00 1.61 5.85 -1.06 -1.69 115.31 119.91 1isb h LEU 38 Ca 0.12 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1isb h LEU 38 Cb 0.68 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1isb h LEU 38 CO 0.05 0.28 0.65 0.78 -0.34 0.00 0.00 178.44 179.86 1isb h ASN 39 N -0.06 1.05 -0.24 1.25 2.35 -1.10 -2.06 115.58 116.77 1isb h ASN 39 Ca 0.02 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1isb h ASN 39 Cb 0.21 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1isb h ASN 39 CO -0.00 0.68 -0.20 0.78 -1.65 0.00 0.00 177.43 177.04 1isb h ASN 40 N 1.20 0.70 0.65 5.81 2.35 -1.26 -3.00 115.58 122.03 1isb h ASN 40 Ca 0.43 -0.23 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 1isb h ASN 40 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1isb h ASN 40 CO -0.16 0.89 -0.74 -0.07 -1.65 0.00 0.00 177.43 175.70 1isb h LEU 41 N 0.62 0.09 -0.31 1.61 3.38 -0.76 -3.33 115.31 116.60 1isb h LEU 41 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1isb h LEU 41 Cb 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1isb h LEU 41 CO 0.05 0.79 -0.61 2.30 0.09 0.00 0.00 178.44 181.07 1isb n ILE 42 N -3.70 0.00 -1.68 1.22 -5.35 -0.82 -4.87 119.36 104.16 1isb n ILE 42 Ca -0.02 -0.08 -0.45 0.00 -0.27 0.00 0.00 62.75 61.93 1isb n ILE 42 Cb 0.71 0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 39.31 1isb n ILE 42 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1isb n LYS 43 N -1.02 2.42 -0.93 6.28 5.02 -1.13 -1.34 118.16 127.46 1isb n LYS 43 Ca 0.07 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1isb n LYS 43 Cb 0.36 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1isb n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1isb n GLY 44 N 4.09 0.67 3.83 0.72 0.00 -1.26 -5.04 105.19 108.20 1isb n GLY 44 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1isb n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1isb s THR 45 N -2.59 2.13 -0.52 2.61 -4.23 -0.45 -5.02 115.64 107.57 1isb s THR 45 Ca 0.00 -1.55 0.22 0.00 -1.18 0.00 0.00 61.69 59.17 1isb s THR 45 Cb 0.00 -2.68 0.22 0.00 1.34 0.00 0.00 72.50 71.38 1isb s THR 45 CO 0.00 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.74 1isb n ALA 46 N -1.49 1.57 0.19 3.99 0.00 -1.26 -2.53 120.51 120.98 1isb n ALA 46 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1isb n ALA 46 Cb 0.64 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 19.00 1isb n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1isb h PHE 47 N 0.00 0.00 -3.28 0.00 0.04 -1.95 -3.43 116.94 108.32 1isb h PHE 47 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1isb h PHE 47 Cb 0.30 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.49 1isb h PHE 47 CO 0.00 0.29 0.71 -2.00 -0.60 0.00 0.00 178.31 176.71 1isb s GLU 48 N -3.34 4.33 0.00 1.51 2.12 -1.05 -2.08 118.70 120.19 1isb s GLU 48 Ca 0.03 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1isb s GLU 48 Cb 0.08 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1isb s GLU 48 CO 0.68 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1isb n GLY 49 N 2.60 2.52 3.90 -1.50 0.00 -1.26 -4.98 105.19 106.46 1isb n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1isb n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isb s LYS 50 N -0.67 3.16 0.77 1.61 1.02 -0.88 -5.06 119.74 119.68 1isb s LYS 50 Ca 0.00 0.33 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 1isb s LYS 50 Cb 0.00 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 1isb s LYS 50 CO 0.00 -0.68 1.12 -1.54 -0.92 0.00 0.00 175.35 173.33 1isb s SER 51 N -4.26 4.85 0.22 2.83 1.04 -1.26 -4.87 113.70 112.25 1isb s SER 51 Ca 0.54 1.04 -0.08 0.00 0.48 0.00 0.00 55.95 57.93 1isb s SER 51 Cb -0.11 -1.72 0.17 0.00 0.10 0.00 0.00 66.02 64.47 1isb s SER 51 CO 0.49 -1.71 1.83 0.25 0.98 0.00 0.00 173.24 175.07 1isb h LEU 52 N -0.92 1.05 -0.78 2.42 5.85 -1.97 -1.07 115.31 119.89 1isb h LEU 52 Ca -0.46 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.03 1isb h LEU 52 Cb 1.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1isb h LEU 52 CO 0.64 0.86 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.97 1isb h GLU 53 N 1.15 0.59 -0.50 1.25 3.07 -1.97 -1.89 114.58 116.28 1isb h GLU 53 Ca 0.29 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1isb h GLU 53 Cb 0.07 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1isb h GLU 53 CO -0.04 0.82 0.12 0.93 -1.40 0.00 0.00 179.01 179.44 1isb h GLU 54 N 0.51 0.80 -0.40 2.33 5.08 -1.81 -1.42 114.58 119.67 1isb h GLU 54 Ca 0.06 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1isb h GLU 54 Cb 0.77 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1isb h GLU 54 CO 0.06 0.77 0.24 0.82 -1.00 0.00 0.00 179.01 179.90 1isb h ILE 55 N 0.69 1.13 -0.88 3.13 2.04 -1.00 -2.07 117.51 120.56 1isb h ILE 55 Ca 0.16 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1isb h ILE 55 Cb 0.33 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1isb h ILE 55 CO 0.00 0.13 0.47 0.40 0.00 0.00 0.00 178.15 179.16 1isb h ILE 56 N 0.53 1.26 0.00 -0.67 2.04 -1.09 -2.02 117.51 117.56 1isb h ILE 56 Ca 0.14 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1isb h ILE 56 Cb 0.01 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1isb h ILE 56 CO -0.03 0.29 0.00 0.54 0.00 0.00 0.00 178.15 178.96 1isb n ARG 57 N -4.33 0.07 0.00 2.37 1.74 -0.56 -3.93 116.66 112.03 1isb n ARG 57 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1isb n ARG 57 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1isb n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1isb n SER 58 N -1.46 0.91 -4.83 0.55 3.41 -0.80 -5.08 113.62 106.31 1isb n SER 58 Ca 0.08 -0.96 -0.27 0.00 -0.26 0.00 0.00 58.87 57.46 1isb n SER 58 Cb 0.32 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1isb n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1isb s SER 59 N -0.08 4.50 0.36 4.04 1.04 -0.81 -5.07 113.70 117.68 1isb s SER 59 Ca 0.00 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.15 1isb s SER 59 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1isb s SER 59 CO 0.00 -0.88 0.50 -1.84 0.98 0.00 0.00 173.24 172.00 1isb n GLU 60 N -1.51 0.72 0.00 4.02 0.28 -1.26 -4.78 120.64 118.11 1isb n GLU 60 Ca -0.05 -2.88 0.00 0.00 -0.16 0.00 0.00 57.16 54.07 1isb n GLU 60 Cb 0.65 2.77 0.00 0.00 1.43 0.00 0.00 31.44 36.28 1isb n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1isb n GLY 61 N -0.59 0.47 0.23 -1.84 0.00 -1.26 -2.82 105.19 99.38 1isb n GLY 61 Ca 0.01 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1isb n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1isb h GLY 62 N 0.00 0.03 0.87 -0.02 0.00 -2.00 -0.84 103.07 101.10 1isb h GLY 62 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1isb h GLY 62 CO 0.00 0.02 -0.12 -2.08 0.00 0.00 0.00 176.54 174.35 1isb h VAL 63 N 0.03 1.30 0.11 4.60 2.07 -1.97 -2.13 116.25 120.25 1isb h VAL 63 Ca 0.01 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1isb h VAL 63 Cb 0.25 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1isb h VAL 63 CO 0.02 0.38 -0.05 0.15 0.02 0.00 0.00 177.57 178.08 1isb h PHE 64 N 0.27 -0.14 -0.56 1.57 3.57 -1.27 -1.58 116.94 118.80 1isb h PHE 64 Ca 0.06 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1isb h PHE 64 Cb 0.63 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 1isb h PHE 64 CO 0.06 0.04 0.24 -0.91 -2.23 0.00 0.00 178.31 175.51 1isb h ASN 65 N -0.29 0.29 -0.12 0.41 2.35 -1.06 0.66 115.58 117.81 1isb h ASN 65 Ca -0.02 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1isb h ASN 65 Cb 0.24 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1isb h ASN 65 CO 0.03 0.19 -0.32 0.78 -1.65 0.00 0.00 177.43 176.45 1isb h ASN 66 N 0.45 0.50 -0.24 5.81 4.21 -1.41 -2.21 115.58 122.68 1isb h ASN 66 Ca 0.27 -0.58 -0.01 0.00 1.21 0.00 0.00 56.30 57.19 1isb h ASN 66 Cb 0.26 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1isb h ASN 66 CO -0.24 0.99 0.13 0.00 -1.29 0.00 0.00 177.43 177.02 1isb h ALA 67 N 0.52 0.31 -0.71 -0.83 0.00 -1.07 -0.96 119.26 116.52 1isb h ALA 67 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1isb h ALA 67 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1isb h ALA 67 CO 0.07 -0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.45 1isb h ALA 68 N 1.01 0.92 -0.37 0.00 0.00 -0.96 -2.42 119.26 117.44 1isb h ALA 68 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1isb h ALA 68 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1isb h ALA 68 CO -0.01 0.54 -0.04 1.96 0.00 0.00 0.00 179.25 181.70 1isb h GLN 69 N 1.01 0.61 -0.16 0.00 1.08 -1.20 0.15 115.11 116.60 1isb h GLN 69 Ca 0.24 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1isb h GLN 69 Cb 0.21 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1isb h GLN 69 CO -0.02 0.66 0.09 0.28 -0.95 0.00 0.00 178.83 178.89 1isb h VAL 70 N 0.57 1.09 -0.33 -0.54 2.07 -0.84 -2.03 116.25 116.23 1isb h VAL 70 Ca 0.11 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1isb h VAL 70 Cb 0.43 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1isb h VAL 70 CO 0.02 0.08 -0.00 -0.25 0.02 0.00 0.00 177.57 177.44 1isb h TRP 71 N 0.17 0.64 -0.74 1.57 7.01 -1.20 -2.54 115.95 120.85 1isb h TRP 71 Ca 0.06 -0.11 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 1isb h TRP 71 Cb 0.05 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1isb h TRP 71 CO -0.05 0.70 0.37 -0.91 -2.79 0.00 0.00 178.44 175.76 1isb h ASN 72 N 0.39 0.97 0.26 2.65 2.35 -0.66 -1.61 115.58 119.92 1isb h ASN 72 Ca 0.09 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 1isb h ASN 72 Cb 0.45 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1isb h ASN 72 CO 0.02 0.82 -0.64 0.45 -1.65 0.00 0.00 177.43 176.43 1isb h HIS 73 N 1.04 0.47 -0.58 1.19 3.86 -1.30 -1.24 115.15 118.59 1isb h HIS 73 Ca 0.26 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1isb h HIS 73 Cb 0.10 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1isb h HIS 73 CO 0.01 0.90 0.05 1.15 0.86 0.00 0.00 177.93 180.90 1isb h THR 74 N 0.26 1.25 -0.16 2.45 2.02 -1.01 -1.39 112.91 116.34 1isb h THR 74 Ca -0.01 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1isb h THR 74 Cb 1.17 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1isb h THR 74 CO 0.11 0.37 0.06 0.15 0.37 0.00 0.00 175.52 176.58 1isb h PHE 75 N 0.89 0.24 -0.30 3.16 3.57 -1.24 -2.39 116.94 120.88 1isb h PHE 75 Ca 0.17 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1isb h PHE 75 Cb 0.45 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1isb h PHE 75 CO 0.03 0.32 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.51 1isb h TYR 76 N 0.09 -0.03 -0.46 0.41 3.20 -0.95 -1.53 116.97 117.70 1isb h TYR 76 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1isb h TYR 76 Cb 0.19 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1isb h TYR 76 CO -0.01 -0.06 0.21 -1.49 -1.64 0.00 0.00 178.16 175.17 1isb h TRP 77 N 0.08 0.64 0.00 -3.82 -0.00 -1.15 -1.71 115.95 109.99 1isb h TRP 77 Ca 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1isb h TRP 77 Cb 0.19 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.15 1isb h TRP 77 CO -0.23 0.49 0.00 -0.91 -0.00 0.00 0.00 178.44 177.79 1isb h ASN 78 N 0.65 0.00 0.86 -3.49 -0.26 -0.90 -2.86 115.58 109.58 1isb h ASN 78 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1isb h ASN 78 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1isb h ASN 78 CO -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.35 1isb s LEU 80 N -3.16 2.56 0.02 0.00 1.43 -1.08 -0.83 118.68 117.62 1isb s LEU 80 Ca 0.11 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 1isb s LEU 80 Cb 0.15 -1.42 0.06 0.00 0.03 0.00 0.00 46.19 45.01 1isb s LEU 80 CO 0.44 0.18 0.59 0.00 0.23 0.00 0.00 176.35 177.80 1isb s ALA 81 N -1.11 -1.53 0.82 4.21 0.00 -0.01 -4.74 121.76 119.39 1isb s ALA 81 Ca 0.16 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1isb s ALA 81 Cb -0.10 0.29 0.09 0.00 0.00 0.00 0.00 23.12 23.40 1isb s ALA 81 CO 0.09 -0.48 1.14 -1.25 0.00 0.00 0.00 175.76 175.25 1isb s PRO 82 N -2.08 1.73 -1.54 0.00 0.04 -1.26 -4.02 135.00 127.87 1isb s PRO 82 Ca -0.07 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1isb s PRO 82 Cb -0.01 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.80 1isb s PRO 82 CO 0.02 -2.08 0.85 0.09 0.04 0.00 0.00 177.00 175.91 1isb n ASN 83 N -3.61 -3.59 0.00 6.66 5.03 -1.26 -4.92 115.26 113.56 1isb n ASN 83 Ca 0.11 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.70 1isb n ASN 83 Cb 0.52 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1isb n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isb n ALA 84 N -4.54 0.00 -0.38 5.41 0.00 -1.26 -5.13 120.51 114.62 1isb n ALA 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1isb n ALA 84 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1isb n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isb n GLY 85 N 1.33 -0.68 7.00 0.00 0.00 -0.09 -4.78 105.19 107.97 1isb n GLY 85 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1isb n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isb n GLY 86 N 0.00 -1.09 3.83 -0.02 0.00 -1.23 -4.84 105.19 101.84 1isb n GLY 86 Ca 0.00 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1isb n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isb s GLU 87 N 0.00 4.01 0.83 1.61 2.02 -1.26 -5.01 118.70 120.90 1isb s GLU 87 Ca 0.00 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.39 1isb s GLU 87 Cb 0.00 -3.09 0.09 0.00 0.10 0.00 0.00 34.13 31.23 1isb s GLU 87 CO 0.00 0.58 1.09 -1.25 0.02 0.00 0.00 175.26 175.71 1isb s PRO 88 N -1.52 1.78 0.36 0.39 0.04 -1.26 -5.09 135.00 129.71 1isb s PRO 88 Ca 0.32 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1isb s PRO 88 Cb -0.17 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1isb s PRO 88 CO 0.18 -1.95 0.17 0.95 0.04 0.00 0.00 177.00 176.38 1isb s THR 89 N -2.88 0.41 0.00 1.26 -4.23 -1.26 -4.61 115.64 104.33 1isb s THR 89 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1isb s THR 89 Cb -0.18 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1isb s THR 89 CO 0.57 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1isb n GLY 90 N -0.75 1.48 0.30 3.99 0.00 -1.26 -3.18 105.19 105.77 1isb n GLY 90 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1isb n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isb h LYS 91 N 0.00 1.02 -0.10 1.61 1.79 -1.99 -1.86 116.57 117.05 1isb h LYS 91 Ca 0.00 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1isb h LYS 91 Cb 0.00 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 1isb h LYS 91 CO 0.00 0.81 0.06 0.28 -1.08 0.00 0.00 179.45 179.52 1isb h VAL 92 N 0.99 1.02 -0.86 0.50 2.07 -1.97 -0.92 116.25 117.08 1isb h VAL 92 Ca 0.24 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1isb h VAL 92 Cb 0.13 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1isb h VAL 92 CO -0.03 0.02 0.57 0.00 0.02 0.00 0.00 177.57 178.16 1isb h ALA 93 N 1.04 1.39 -0.35 1.67 0.00 -1.42 -0.65 119.26 120.94 1isb h ALA 93 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1isb h ALA 93 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1isb h ALA 93 CO -0.01 0.57 -0.05 0.93 0.00 0.00 0.00 179.25 180.69 1isb h GLU 94 N 1.17 0.65 -0.54 0.00 5.08 -0.89 -1.14 114.58 118.90 1isb h GLU 94 Ca 0.32 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1isb h GLU 94 Cb -0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1isb h GLU 94 CO -0.07 0.79 -0.02 0.00 -1.00 0.00 0.00 179.01 178.72 1isb h ALA 95 N 0.83 0.74 -0.28 3.43 0.00 -0.80 -1.19 119.26 121.99 1isb h ALA 95 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1isb h ALA 95 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1isb h ALA 95 CO 0.03 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.80 1isb h ILE 96 N 0.85 1.16 -0.72 0.00 2.04 -1.06 -2.14 117.51 117.64 1isb h ILE 96 Ca 0.15 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1isb h ILE 96 Cb 0.56 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1isb h ILE 96 CO 0.03 0.17 0.27 0.00 0.00 0.00 0.00 178.15 178.62 1isb h ALA 97 N 0.98 1.11 -0.27 1.87 0.00 -1.06 -0.70 119.26 121.19 1isb h ALA 97 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1isb h ALA 97 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1isb h ALA 97 CO -0.01 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1isb h ALA 98 N 1.23 1.37 0.04 0.00 0.00 -1.09 0.13 119.26 120.93 1isb h ALA 98 Ca 0.24 -0.23 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 1isb h ALA 98 Cb 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1isb h ALA 98 CO -0.02 0.43 -1.92 0.43 0.00 0.00 0.00 179.25 178.18 1isb n SER 99 N -4.25 1.21 -0.37 0.00 7.64 -0.82 -4.55 113.62 112.48 1isb n SER 99 Ca 0.01 0.28 0.04 0.00 1.01 0.00 0.00 58.87 60.20 1isb n SER 99 Cb 0.28 -0.20 0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1isb n SER 99 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1isb n PHE 100 N -3.15 0.13 0.00 1.43 3.72 -0.29 -4.98 117.46 114.32 1isb n PHE 100 Ca -0.25 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1isb n PHE 100 Cb 1.06 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1isb n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1isb n GLY 101 N 0.35 2.11 3.76 1.37 0.00 0.46 -4.54 105.19 108.70 1isb n GLY 101 Ca 0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1isb n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isb s SER 102 N 0.00 -0.16 0.16 1.61 1.04 -1.26 -4.77 113.70 110.33 1isb s SER 102 Ca 0.00 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.58 1isb s SER 102 Cb 0.00 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1isb s SER 102 CO 0.00 -1.31 1.49 0.15 0.98 0.00 0.00 173.24 174.55 1isb h PHE 103 N 2.08 0.97 -0.84 5.02 3.57 -1.91 -2.45 116.94 123.39 1isb h PHE 103 Ca -0.22 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 1isb h PHE 103 Cb 1.25 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1isb h PHE 103 CO 0.52 1.10 0.51 0.00 -2.23 0.00 0.00 178.31 178.21 1isb h ALA 104 N 0.85 1.06 -0.53 2.41 0.00 -1.96 -0.12 119.26 120.98 1isb h ALA 104 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1isb h ALA 104 Cb 1.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1isb h ALA 104 CO 0.10 0.52 -0.03 -0.44 0.00 0.00 0.00 179.25 179.40 1isb h ASP 105 N 1.15 0.93 0.10 0.00 3.32 -1.84 -1.91 116.42 118.17 1isb h ASP 105 Ca 0.30 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1isb h ASP 105 Cb -0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1isb h ASP 105 CO -0.06 1.03 -0.08 0.15 -1.72 0.00 0.00 179.24 178.56 1isb h PHE 106 N 0.82 -0.21 -0.60 4.55 3.57 -0.94 -1.59 116.94 122.53 1isb h PHE 106 Ca 0.15 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1isb h PHE 106 Cb 0.57 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1isb h PHE 106 CO 0.04 -0.13 0.28 -0.22 -2.23 0.00 0.00 178.31 176.05 1isb h LYS 107 N -0.19 0.50 -0.20 1.11 3.64 -0.96 0.41 116.57 120.88 1isb h LYS 107 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1isb h LYS 107 Cb 0.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1isb h LYS 107 CO -0.02 0.33 0.09 0.00 -2.27 0.00 0.00 179.45 177.59 1isb h ALA 108 N 1.36 0.25 -0.44 5.00 0.00 -1.25 -0.86 119.26 123.33 1isb h ALA 108 Ca 0.29 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1isb h ALA 108 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1isb h ALA 108 CO -0.23 -0.18 -0.12 1.96 0.00 0.00 0.00 179.25 180.68 1isb h GLN 109 N 0.18 0.80 -0.19 0.00 4.20 -0.87 -1.05 115.11 118.18 1isb h GLN 109 Ca 0.07 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 1isb h GLN 109 Cb 0.13 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1isb h GLN 109 CO -0.01 0.88 -0.12 0.35 -0.67 0.00 0.00 178.83 179.26 1isb h PHE 110 N 0.72 0.48 -0.46 2.96 3.04 -0.83 -1.88 116.94 120.97 1isb h PHE 110 Ca 0.12 -0.13 0.05 0.00 3.98 0.00 0.00 57.97 61.98 1isb h PHE 110 Cb 0.61 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 1isb h PHE 110 CO 0.03 0.74 0.21 1.15 -2.02 0.00 0.00 178.31 178.42 1isb h THR 111 N 0.09 0.93 -0.54 4.41 2.02 -1.10 -1.78 112.91 116.94 1isb h THR 111 Ca 0.04 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1isb h THR 111 Cb 0.63 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1isb h THR 111 CO 0.03 0.08 0.29 -0.78 0.37 0.00 0.00 175.52 175.51 1isb h ASP 112 N 0.42 0.67 -0.70 4.18 3.58 -1.03 -1.36 116.42 122.18 1isb h ASP 112 Ca 0.21 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1isb h ASP 112 Cb 0.15 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1isb h ASP 112 CO -0.17 0.57 0.28 0.00 -2.88 0.00 0.00 179.24 177.04 1isb h ALA 113 N 1.13 0.91 -0.46 -0.78 0.00 -1.19 -0.92 119.26 117.95 1isb h ALA 113 Ca 0.19 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1isb h ALA 113 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1isb h ALA 113 CO -0.03 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.58 1isb h ALA 114 N 1.13 0.84 -0.28 0.00 0.00 -0.99 -2.03 119.26 117.92 1isb h ALA 114 Ca 0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1isb h ALA 114 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1isb h ALA 114 CO -0.02 0.65 -0.42 0.82 0.00 0.00 0.00 179.25 180.28 1isb h ILE 115 N 0.78 1.29 0.00 0.00 2.04 -1.04 -3.20 117.51 117.38 1isb h ILE 115 Ca 0.11 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1isb h ILE 115 Cb 0.70 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1isb h ILE 115 CO 0.05 0.51 0.00 0.29 0.00 0.00 0.00 178.15 179.01 1isb n LYS 116 N -4.03 0.13 -1.84 2.37 4.76 -0.37 -4.78 118.16 114.40 1isb n LYS 116 Ca -0.02 0.12 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 1isb n LYS 116 Cb 0.54 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1isb n LYS 116 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1isb s ASN 117 N -3.74 5.20 0.08 4.39 3.84 -0.78 -4.90 114.94 119.03 1isb s ASN 117 Ca 0.12 0.98 -0.30 0.00 0.21 0.00 0.00 52.86 53.86 1isb s ASN 117 Cb 0.15 -2.52 -0.06 0.00 -0.55 0.00 0.00 41.25 38.28 1isb s ASN 117 CO 0.54 -2.32 1.17 0.12 -2.79 0.00 0.00 177.10 173.83 1isb s PHE 118 N 9.38 3.47 0.00 0.43 5.36 -1.26 -4.78 117.98 130.58 1isb s PHE 118 Ca 0.83 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 58.18 1isb s PHE 118 Cb -0.19 -3.38 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1isb s PHE 118 CO 0.27 -1.09 0.00 0.41 -1.46 0.00 0.00 175.22 173.35 1isb n GLY 119 N 2.96 -0.49 3.84 13.12 0.00 -1.26 -4.84 105.19 118.52 1isb n GLY 119 Ca 0.08 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1isb n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isb s SER 120 N -4.00 6.88 0.00 1.61 0.01 -1.26 -4.71 113.70 112.23 1isb s SER 120 Ca 0.00 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1isb s SER 120 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1isb s SER 120 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1isb n GLY 121 N 0.73 -0.54 3.12 3.44 0.00 -1.26 -1.20 105.19 109.47 1isb n GLY 121 Ca -0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1isb n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1isb s TRP 122 N -3.00 -0.03 -0.05 1.61 0.52 -0.75 -1.39 118.94 115.85 1isb s TRP 122 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.18 1isb s TRP 122 Cb 0.00 -0.01 0.00 0.00 -1.15 0.00 0.00 33.47 32.31 1isb s TRP 122 CO 0.00 -0.27 -0.16 0.99 0.02 0.00 0.00 176.95 177.53 1isb s THR 123 N -1.13 1.37 -0.01 2.01 2.01 -0.99 -0.52 115.64 118.38 1isb s THR 123 Ca -0.12 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1isb s THR 123 Cb -0.06 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1isb s THR 123 CO 0.02 0.40 -0.20 0.26 -0.69 0.00 0.00 174.62 174.41 1isb s TRP 124 N 0.19 1.77 -0.21 4.92 0.52 0.46 -1.25 118.94 125.34 1isb s TRP 124 Ca -0.07 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.60 1isb s TRP 124 Cb -0.13 -1.14 -0.05 0.00 -1.15 0.00 0.00 33.47 31.01 1isb s TRP 124 CO 0.03 -0.03 0.23 -1.17 0.02 0.00 0.00 176.95 176.03 1isb s LEU 125 N -0.47 4.16 0.17 2.99 2.96 -0.29 -1.42 118.68 126.78 1isb s LEU 125 Ca 0.08 0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 1isb s LEU 125 Cb -0.08 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1isb s LEU 125 CO -0.01 0.06 -0.15 0.68 -1.32 0.00 0.00 176.35 175.61 1isb s VAL 126 N 0.89 1.62 -0.33 1.68 -7.23 0.21 -1.02 120.40 116.22 1isb s VAL 126 Ca 0.12 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1isb s VAL 126 Cb -0.13 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 1isb s VAL 126 CO 0.04 -0.49 0.20 -0.75 -0.31 0.00 0.00 175.10 173.78 1isb s LYS 127 N -3.21 3.40 0.92 4.82 2.20 0.25 -1.06 119.74 127.07 1isb s LYS 127 Ca 0.17 -0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 1isb s LYS 127 Cb -0.03 -3.69 0.14 0.00 -1.51 0.00 0.00 37.83 32.75 1isb s LYS 127 CO 0.05 -0.44 1.11 -0.80 -0.36 0.00 0.00 175.35 174.92 1isb s ASN 128 N 1.66 3.38 0.34 1.43 0.01 -0.25 -0.66 114.94 120.86 1isb s ASN 128 Ca 0.05 1.13 0.06 0.00 -0.71 0.00 0.00 52.86 53.39 1isb s ASN 128 Cb -0.17 -1.77 0.72 0.00 0.41 0.00 0.00 41.25 40.44 1isb s ASN 128 CO 0.08 -2.65 1.89 0.77 -1.51 0.00 0.00 177.10 175.68 1isb h SER 129 N -1.56 0.74 0.00 -1.22 4.64 -1.88 -0.82 113.55 113.45 1isb h SER 129 Ca -0.51 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1isb h SER 129 Cb 1.32 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1isb h SER 129 CO 0.60 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 176.07 1isb n ASP 130 N -4.54 0.24 0.00 4.97 5.68 -1.26 -4.90 116.55 116.73 1isb n ASP 130 Ca 0.16 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1isb n ASP 130 Cb 0.37 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1isb n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1isb n GLY 131 N 0.28 2.95 3.79 6.12 0.00 -0.31 -5.01 105.19 113.01 1isb n GLY 131 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1isb n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isb s LYS 132 N 0.00 3.74 0.20 1.61 -0.14 -1.26 -4.70 119.74 119.18 1isb s LYS 132 Ca 0.00 1.42 -0.12 0.00 -1.36 0.00 0.00 55.97 55.91 1isb s LYS 132 Cb 0.00 -2.10 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 1isb s LYS 132 CO 0.00 -0.49 0.55 -0.51 -0.76 0.00 0.00 175.35 174.14 1isb s LEU 133 N -3.49 4.24 0.06 3.17 1.43 -1.26 -1.09 118.68 121.75 1isb s LEU 133 Ca 0.68 0.99 -0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1isb s LEU 133 Cb -0.18 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1isb s LEU 133 CO 0.22 -0.00 0.15 0.00 0.23 0.00 0.00 176.35 176.95 1isb s ALA 134 N -1.67 -0.15 -0.17 4.21 0.00 -0.22 -4.92 121.76 118.84 1isb s ALA 134 Ca 0.43 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1isb s ALA 134 Cb -0.13 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1isb s ALA 134 CO 0.20 -0.43 0.07 0.42 0.00 0.00 0.00 175.76 176.02 1isb s ILE 135 N -3.37 4.87 0.02 0.00 1.01 -1.26 -0.62 121.20 121.85 1isb s ILE 135 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1isb s ILE 135 Cb 0.03 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1isb s ILE 135 CO -0.08 0.48 -0.06 0.68 0.00 0.00 0.00 174.94 175.96 1isb s VAL 136 N 0.19 0.44 -0.00 2.92 -7.23 -0.51 -4.98 120.40 111.22 1isb s VAL 136 Ca 0.05 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 1isb s VAL 136 Cb -0.12 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1isb s VAL 136 CO 0.00 -0.12 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.12 1isb s SER 137 N -0.78 4.32 0.29 4.85 0.01 -1.26 -0.41 113.70 120.73 1isb s SER 137 Ca -0.04 -0.21 0.11 0.00 1.31 0.00 0.00 55.95 57.12 1isb s SER 137 Cb -0.06 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 1isb s SER 137 CO 0.00 0.29 -0.17 0.42 0.41 0.00 0.00 173.24 174.20 1isb s THR 138 N -0.92 2.36 -0.03 1.44 -4.23 0.32 -4.99 115.64 109.59 1isb s THR 138 Ca 0.15 -2.35 -0.02 0.00 -1.18 0.00 0.00 61.69 58.30 1isb s THR 138 Cb -0.11 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1isb s THR 138 CO 0.05 -0.37 0.08 -0.55 -0.54 0.00 0.00 174.62 173.30 1isb s SER 139 N -3.52 5.76 0.93 3.99 0.15 -1.26 -1.82 113.70 117.93 1isb s SER 139 Ca 0.30 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1isb s SER 139 Cb -0.03 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 1isb s SER 139 CO 0.15 0.30 0.00 0.59 1.20 0.00 0.00 173.24 175.48 1isb n ASN 140 N 1.41 0.00 -1.18 5.45 5.03 -0.34 -1.14 115.26 124.48 1isb n ASN 140 Ca -0.15 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.42 1isb n ASN 140 Cb 0.53 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 39.52 1isb n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isb n ALA 141 N 8.54 2.42 -1.66 5.41 0.00 -1.26 -4.42 120.51 129.53 1isb n ALA 141 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 1isb n ALA 141 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.58 1isb n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isb n GLY 142 N 1.53 0.26 3.04 0.00 0.00 -0.29 -4.58 105.19 105.14 1isb n GLY 142 Ca 0.20 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 1isb n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isb s THR 143 N -1.20 0.06 0.12 2.61 -1.32 -1.26 -4.70 115.64 109.95 1isb s THR 143 Ca 0.61 -0.50 0.26 0.00 -1.21 0.00 0.00 61.69 60.84 1isb s THR 143 Cb -0.55 -0.31 0.26 0.00 -1.51 0.00 0.00 72.50 70.39 1isb s THR 143 CO 0.58 -0.28 1.76 -0.65 -2.21 0.00 0.00 174.62 173.83 1isb h PRO 144 N 4.93 0.00 -0.01 7.08 0.11 -1.95 -2.77 132.00 139.39 1isb h PRO 144 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1isb h PRO 144 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1isb h PRO 144 CO 0.42 0.00 0.04 -0.07 -0.21 0.00 0.00 178.00 178.18 1isb h LEU 145 N 0.00 0.00 -0.88 2.35 3.38 -1.96 0.91 115.31 119.11 1isb h LEU 145 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1isb h LEU 145 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1isb h LEU 145 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1isb n THR 146 N -3.23 0.31 -3.93 0.22 -2.24 -1.04 -4.86 114.28 99.51 1isb n THR 146 Ca -0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1isb n THR 146 Cb 0.11 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1isb n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1isb n THR 147 N 0.19 0.00 0.82 4.28 -2.24 0.31 -5.03 114.28 112.61 1isb n THR 147 Ca 0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1isb n THR 147 Cb 0.21 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.73 1isb n THR 147 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1isb n ASP 148 N -1.49 2.45 -4.86 3.42 5.75 -1.26 -4.91 116.55 115.64 1isb n ASP 148 Ca 0.00 -1.85 -0.34 0.00 -0.01 0.00 0.00 54.79 52.59 1isb n ASP 148 Cb 0.00 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 1isb n ASP 148 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isb s ALA 149 N -1.65 3.68 -0.23 2.12 0.00 -1.26 -4.12 121.76 120.30 1isb s ALA 149 Ca 0.35 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 1isb s ALA 149 Cb 0.19 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1isb s ALA 149 CO 0.28 0.54 0.38 0.99 0.00 0.00 0.00 175.76 177.95 1isb s THR 150 N -1.48 5.20 0.20 0.00 2.01 0.17 -4.56 115.64 117.18 1isb s THR 150 Ca 0.36 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 1isb s THR 150 Cb -0.14 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 1isb s THR 150 CO 0.19 0.22 1.27 -2.16 -0.69 0.00 0.00 174.62 173.46 1isb s PRO 151 N 1.58 4.42 -0.07 4.92 0.04 -1.26 -0.58 135.00 144.05 1isb s PRO 151 Ca 0.17 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1isb s PRO 151 Cb -0.15 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1isb s PRO 151 CO 0.08 -0.19 -0.03 1.28 0.04 0.00 0.00 177.00 178.18 1isb n LEU 152 N 2.46 1.79 -3.66 -3.56 4.77 -0.19 -4.86 117.00 113.75 1isb n LEU 152 Ca 0.05 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1isb n LEU 152 Cb 0.43 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1isb n LEU 152 CO 0.57 0.44 0.24 -0.22 -1.33 0.00 0.00 177.39 177.09 1isb s LEU 153 N -5.06 -0.01 0.05 2.23 2.96 -1.14 -4.38 118.68 113.33 1isb s LEU 153 Ca -0.08 0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1isb s LEU 153 Cb 0.02 1.90 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 1isb s LEU 153 CO 0.21 -0.37 0.00 0.28 -1.32 0.00 0.00 176.35 175.15 1isb s THR 154 N -0.54 0.19 -0.06 3.68 -1.32 -1.26 -1.13 115.64 115.20 1isb s THR 154 Ca -0.07 -1.57 0.02 0.00 -1.21 0.00 0.00 61.69 58.87 1isb s THR 154 Cb -0.03 -1.29 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 1isb s THR 154 CO 0.04 -0.86 -0.10 0.54 -2.21 0.00 0.00 174.62 172.03 1isb s VAL 155 N -3.49 0.93 -0.22 5.08 0.11 -0.38 -4.88 120.40 117.56 1isb s VAL 155 Ca 0.03 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 1isb s VAL 155 Cb 0.05 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1isb s VAL 155 CO -0.08 0.31 1.28 -0.62 -3.33 0.00 0.00 175.10 172.65 1isb s ASP 156 N 0.71 6.83 -0.17 3.54 -1.08 -1.26 -2.35 116.67 122.90 1isb s ASP 156 Ca -0.13 1.49 0.17 0.00 -0.52 0.00 0.00 52.55 53.56 1isb s ASP 156 Cb -0.15 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.24 1isb s ASP 156 CO 0.03 -0.89 1.35 1.33 0.52 0.00 0.00 175.17 177.51 1isb n VAL 157 N 5.72 2.19 -1.91 1.11 0.24 -0.49 -4.80 118.33 120.39 1isb n VAL 157 Ca 0.14 -2.00 -0.40 0.00 -2.04 0.00 0.00 64.34 60.04 1isb n VAL 157 Cb 0.46 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1isb n VAL 157 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1isb s TRP 158 N -2.85 2.71 0.43 6.34 0.52 -1.19 -4.38 118.94 120.51 1isb s TRP 158 Ca 0.40 1.28 0.12 0.00 0.02 0.00 0.00 56.10 57.91 1isb s TRP 158 Cb 0.33 -3.87 0.99 0.00 -1.15 0.00 0.00 33.47 29.76 1isb s TRP 158 CO 0.07 -2.58 2.01 0.93 0.02 0.00 0.00 176.95 177.40 1isb h GLU 159 N 2.92 0.42 0.00 4.98 5.08 -1.93 -0.49 114.58 125.56 1isb h GLU 159 Ca -0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1isb h GLU 159 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1isb h GLU 159 CO 0.64 0.28 0.02 1.12 -1.00 0.00 0.00 179.01 180.06 1isb h HIS 160 N 0.44 0.00 0.00 4.33 2.07 -1.98 -0.06 115.15 119.95 1isb h HIS 160 Ca 0.23 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.72 1isb h HIS 160 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 1isb h HIS 160 CO -0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.73 1isb h ALA 161 N 1.96 0.97 0.00 6.11 0.00 -1.39 -3.38 119.26 123.53 1isb h ALA 161 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1isb h ALA 161 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1isb h ALA 161 CO 0.00 0.17 0.00 2.48 0.00 0.00 0.00 179.25 181.90 1isb n TYR 162 N -3.21 0.00 0.12 0.00 0.18 -0.77 -4.90 117.16 108.58 1isb n TYR 162 Ca 0.01 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.82 1isb n TYR 162 Cb 0.45 0.00 0.38 0.00 -0.38 0.00 0.00 39.34 39.79 1isb n TYR 162 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1isb h TYR 163 N 0.00 0.23 -0.63 -3.48 3.20 -1.22 -0.56 116.97 114.51 1isb h TYR 163 Ca 0.00 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1isb h TYR 163 Cb 0.06 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1isb h TYR 163 CO 0.00 0.38 0.19 0.82 -1.64 0.00 0.00 178.16 177.91 1isb h ILE 164 N 0.21 1.25 0.00 1.81 2.04 -1.85 -1.55 117.51 119.41 1isb h ILE 164 Ca 0.04 -0.86 -0.27 0.00 1.00 0.00 0.00 64.86 64.77 1isb h ILE 164 Cb 0.41 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1isb h ILE 164 CO 0.03 0.33 -1.78 0.47 0.00 0.00 0.00 178.15 177.20 1isb n ASP 165 N -4.36 0.68 0.00 1.72 8.00 -0.88 -4.54 116.55 117.17 1isb n ASP 165 Ca 0.04 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1isb n ASP 165 Cb 0.22 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1isb n ASP 165 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isb n TYR 166 N -2.93 0.00 0.00 1.24 4.01 -0.27 -5.09 117.16 114.12 1isb n TYR 166 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1isb n TYR 166 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 1isb n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1isb n ARG 167 N -0.15 0.00 0.00 -0.72 5.12 -0.58 -1.09 116.66 119.23 1isb n ARG 167 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 1isb n ARG 167 Cb 0.06 0.00 0.76 0.00 -1.16 0.00 0.00 32.46 32.13 1isb n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1isb n ASN 168 N 3.33 0.05 -4.25 0.55 0.23 -1.26 -4.38 115.26 109.53 1isb n ASN 168 Ca 0.00 -0.27 -0.43 0.00 -0.53 0.00 0.00 54.58 53.35 1isb n ASN 168 Cb 0.00 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1isb n ASN 168 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1isb n ALA 169 N -1.22 4.39 0.02 -2.53 0.00 -0.25 -4.78 120.51 116.14 1isb n ALA 169 Ca 0.15 -4.22 0.05 0.00 0.00 0.00 0.00 53.44 49.42 1isb n ALA 169 Cb 0.23 -3.10 0.45 0.00 0.00 0.00 0.00 19.45 17.03 1isb n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1isb h ARG 170 N 6.68 0.49 -0.74 0.00 2.43 -1.84 -1.41 114.38 119.98 1isb h ARG 170 Ca 0.37 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.58 1isb h ARG 170 Cb 0.78 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 1isb h ARG 170 CO 1.41 0.32 0.49 -1.35 -1.51 0.00 0.00 179.97 179.34 1isb h PRO 171 N 0.50 0.71 -0.34 0.20 0.11 -1.97 -1.48 132.00 129.72 1isb h PRO 171 Ca 0.14 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 1isb h PRO 171 Cb -0.04 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 1isb h PRO 171 CO -0.03 0.47 -0.46 0.78 -0.21 0.00 0.00 178.00 178.55 1isb h GLY 172 N 0.73 0.98 0.94 -0.55 0.00 -1.66 -1.53 103.07 101.98 1isb h GLY 172 Ca 0.33 -1.07 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1isb h GLY 172 CO -0.12 0.96 0.26 -1.82 0.00 0.00 0.00 176.54 175.83 1isb h TYR 173 N 0.72 0.50 -0.36 5.60 3.20 -1.23 -2.00 116.97 123.39 1isb h TYR 173 Ca 0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1isb h TYR 173 Cb 1.06 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1isb h TYR 173 CO 0.07 0.30 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.71 1isb h LEU 174 N 0.54 0.61 -0.65 2.82 -0.00 -1.09 -0.35 115.31 117.18 1isb h LEU 174 Ca 0.17 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1isb h LEU 174 Cb -0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 1isb h LEU 174 CO -0.06 0.75 0.27 -0.08 -0.00 0.00 0.00 178.44 179.32 1isb h GLU 175 N 0.57 0.97 0.00 1.13 4.81 -1.05 -2.82 114.58 118.20 1isb h GLU 175 Ca 0.10 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1isb h GLU 175 Cb 0.52 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1isb h GLU 175 CO 0.03 0.81 -0.51 0.45 -0.73 0.00 0.00 179.01 179.06 1isb h HIS 176 N 0.92 0.00 -0.65 0.92 3.86 -0.89 -3.19 115.15 116.12 1isb h HIS 176 Ca 0.22 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.53 1isb h HIS 176 Cb 0.19 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.58 1isb h HIS 176 CO 0.01 0.51 0.25 0.35 0.86 0.00 0.00 177.93 179.91 1isb h PHE 177 N 0.00 0.43 -0.10 2.45 3.57 -0.81 -2.27 116.94 120.21 1isb h PHE 177 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1isb h PHE 177 Cb 1.11 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1isb h PHE 177 CO 0.00 0.10 0.09 -1.49 -2.23 0.00 0.00 178.31 174.78 1isb h TRP 178 N 0.43 0.00 0.00 0.41 4.06 -1.52 0.05 115.95 119.38 1isb h TRP 178 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1isb h TRP 178 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1isb h TRP 178 CO -0.17 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.71 1isb n ALA 179 N -2.43 2.06 0.70 1.49 0.00 -0.85 -3.53 120.51 117.95 1isb n ALA 179 Ca -0.00 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1isb n ALA 179 Cb 0.20 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 1isb n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isb n LEU 180 N -1.92 0.92 -4.69 0.00 4.77 -0.01 -3.35 117.00 112.72 1isb n LEU 180 Ca 0.05 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 1isb n LEU 180 Cb 0.32 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1isb n LEU 180 CO 0.24 0.21 1.41 -0.69 -1.33 0.00 0.00 177.39 177.24 1isb s VAL 181 N -2.26 2.72 -0.69 4.08 1.01 -1.13 -0.83 120.40 123.30 1isb s VAL 181 Ca 0.07 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 1isb s VAL 181 Cb 0.12 -3.14 0.12 0.00 0.00 0.00 0.00 36.38 33.47 1isb s VAL 181 CO 0.55 -0.00 0.83 0.21 0.00 0.00 0.00 175.10 176.69 1isb s ASN 182 N 2.56 6.32 0.42 3.32 3.04 -0.01 -0.92 114.94 129.67 1isb s ASN 182 Ca 0.78 -1.62 0.29 0.00 0.04 0.00 0.00 52.86 52.36 1isb s ASN 182 Cb -0.44 -2.33 1.18 0.00 -1.54 0.00 0.00 41.25 38.13 1isb s ASN 182 CO 0.35 -1.10 1.86 -0.50 -3.04 0.00 0.00 177.10 174.67 1isb h TRP 183 N 9.03 0.00 -0.47 0.43 4.06 -1.91 -2.40 115.95 124.70 1isb h TRP 183 Ca -0.17 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 1isb h TRP 183 Cb 1.07 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 1isb h TRP 183 CO 0.94 0.00 -0.09 0.93 -3.56 0.00 0.00 178.44 176.65 1isb h GLU 184 N 0.00 0.83 -0.44 0.49 5.08 -1.97 -1.15 114.58 117.42 1isb h GLU 184 Ca 0.00 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1isb h GLU 184 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1isb h GLU 184 CO 0.00 0.89 -0.28 0.35 -1.00 0.00 0.00 179.01 178.98 1isb h PHE 185 N 0.76 1.13 -0.59 4.33 3.57 -1.73 -1.68 116.94 122.73 1isb h PHE 185 Ca 0.13 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1isb h PHE 185 Cb 0.59 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1isb h PHE 185 CO 0.03 1.13 0.39 0.28 -2.23 0.00 0.00 178.31 177.91 1isb h VAL 186 N 0.81 1.16 -0.81 1.41 2.07 -1.36 -1.55 116.25 117.98 1isb h VAL 186 Ca 0.09 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1isb h VAL 186 Cb 0.86 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1isb h VAL 186 CO 0.08 0.15 0.53 0.00 0.02 0.00 0.00 177.57 178.34 1isb h ALA 187 N 1.21 1.04 -0.45 1.67 0.00 -1.14 0.16 119.26 121.75 1isb h ALA 187 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1isb h ALA 187 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1isb h ALA 187 CO -0.05 0.39 0.28 -0.22 0.00 0.00 0.00 179.25 179.65 1isb h LYS 188 N 1.05 0.60 -0.27 0.00 3.64 -0.75 -3.01 116.57 117.83 1isb h LYS 188 Ca 0.31 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1isb h LYS 188 Cb -0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1isb h LYS 188 CO -0.09 0.43 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.29 1isb h ASN 189 N 0.60 0.60 -0.40 4.20 -0.26 -0.82 -3.09 115.58 116.41 1isb h ASN 189 Ca 0.16 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1isb h ASN 189 Cb -0.03 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 1isb h ASN 189 CO -0.03 0.89 0.26 0.25 -1.06 0.00 0.00 177.43 177.73 1isb h LEU 190 N 0.50 0.47 -4.00 1.61 5.85 -0.87 -2.91 115.31 115.95 1isb h LEU 190 Ca 0.06 -0.02 -0.66 0.00 0.84 0.00 0.00 57.88 58.10 1isb h LEU 190 Cb 0.81 -0.12 -0.29 0.00 0.37 0.00 0.00 40.66 41.43 1isb h LEU 190 CO 0.07 0.35 0.85 0.00 -0.34 0.00 0.00 178.44 179.36 1isb n ALA 191 N -2.48 6.25 0.17 1.25 0.00 -1.15 -5.11 120.51 119.45 1isb n ALA 191 Ca 0.03 -3.41 0.02 0.00 0.00 0.00 0.00 53.44 50.08 1isb n ALA 191 Cb 0.07 -1.73 0.02 0.00 0.00 0.00 0.00 19.45 17.80 1isb n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50