#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 2.81 0.09 1.43 0.08 -1.26 -5.13 117.98 116.00 1isb s PHE 2 Ca 0.00 -0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.01 1isb s PHE 2 Cb 0.00 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1isb s PHE 2 CO 0.00 0.47 -0.24 -1.21 -0.10 0.00 0.00 175.22 174.15 1isb s GLU 3 N -2.52 1.38 -0.20 0.44 2.02 -1.26 -4.95 118.70 113.62 1isb s GLU 3 Ca 0.24 -1.17 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 1isb s GLU 3 Cb -0.10 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 1isb s GLU 3 CO 0.16 0.41 1.65 -1.17 0.02 0.00 0.00 175.26 176.33 1isb s LEU 4 N -1.70 3.93 0.64 1.80 2.96 -1.26 -4.99 118.68 120.07 1isb s LEU 4 Ca 0.10 1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 55.55 1isb s LEU 4 Cb -0.10 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1isb s LEU 4 CO 0.04 -1.24 1.22 -2.84 -1.32 0.00 0.00 176.35 172.21 1isb s PRO 5 N 4.66 2.67 0.40 0.98 0.02 -1.26 -4.96 135.00 137.52 1isb s PRO 5 Ca 0.73 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 63.33 1isb s PRO 5 Cb -0.26 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1isb s PRO 5 CO 0.30 -1.44 1.28 0.00 -0.33 0.00 0.00 177.00 176.81 1isb s ALA 6 N -1.68 3.25 0.35 -1.55 0.00 -1.26 -4.97 121.76 115.90 1isb s ALA 6 Ca 0.77 1.20 -0.28 0.00 0.00 0.00 0.00 51.96 53.65 1isb s ALA 6 Cb -0.31 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 1isb s ALA 6 CO 0.38 -0.78 1.31 -1.17 0.00 0.00 0.00 175.76 175.50 1isb s LEU 7 N -2.43 4.36 0.00 0.00 2.96 -1.26 -4.94 118.68 117.37 1isb s LEU 7 Ca 0.57 2.69 0.20 0.00 -0.22 0.00 0.00 54.13 57.37 1isb s LEU 7 Cb -0.37 -3.72 1.13 0.00 0.50 0.00 0.00 46.19 43.73 1isb s LEU 7 CO 0.47 -0.64 1.62 -2.65 -1.32 0.00 0.00 176.35 173.83 1isb n PRO 8 N 0.59 0.49 -3.94 0.98 -0.02 -1.26 -4.84 135.00 127.01 1isb n PRO 8 Ca 0.01 0.04 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1isb n PRO 8 Cb 0.42 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1isb n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1isb s TYR 9 N -2.24 0.12 0.72 6.00 -0.85 -1.26 -5.10 117.35 114.74 1isb s TYR 9 Ca 0.26 -0.52 -0.15 0.00 -0.52 0.00 0.00 57.07 56.14 1isb s TYR 9 Cb 0.14 0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.94 1isb s TYR 9 CO 0.26 -1.11 1.18 0.00 -1.52 0.00 0.00 175.55 174.36 1isb s ALA 10 N -3.95 2.19 -0.54 9.51 0.00 -1.26 -4.92 121.76 122.79 1isb s ALA 10 Ca 0.17 0.77 0.23 0.00 0.00 0.00 0.00 51.96 53.14 1isb s ALA 10 Cb -0.03 -3.43 0.95 0.00 0.00 0.00 0.00 23.12 20.61 1isb s ALA 10 CO 0.08 -1.74 1.70 0.36 0.00 0.00 0.00 175.76 176.16 1isb n LYS 11 N -2.69 0.18 -0.25 0.00 2.85 -1.26 -1.84 118.16 115.15 1isb n LYS 11 Ca 0.12 0.40 0.10 0.00 -1.05 0.00 0.00 58.31 57.88 1isb n LYS 11 Cb 0.51 -1.84 0.23 0.00 -0.65 0.00 0.00 35.03 33.28 1isb n LYS 11 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1isb n ASP 12 N -2.18 3.46 0.22 -5.58 5.75 -1.26 -3.95 116.55 113.01 1isb n ASP 12 Ca 0.02 -1.96 0.15 0.00 -0.01 0.00 0.00 54.79 52.99 1isb n ASP 12 Cb 0.24 -0.32 0.55 0.00 -1.03 0.00 0.00 41.12 40.55 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 3.77 1.00 -0.11 2.12 0.00 -1.73 -3.03 119.26 121.29 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 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1isb h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1isb n LEU 14 N -2.81 2.40 -4.79 0.00 4.77 -1.26 -4.42 117.00 110.89 1isb n LEU 14 Ca 0.02 -0.88 -0.34 0.00 -0.03 0.00 0.00 56.01 54.78 1isb n LEU 14 Cb 0.32 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1isb n LEU 14 CO 0.26 0.44 0.74 0.00 -1.33 0.00 0.00 177.39 177.51 1isb s ALA 15 N -1.89 2.77 -2.10 -1.18 0.00 -1.13 -1.87 121.76 116.36 1isb s ALA 15 Ca 0.34 0.67 0.17 0.00 0.00 0.00 0.00 51.96 53.13 1isb s ALA 15 Cb 0.20 -3.30 0.77 0.00 0.00 0.00 0.00 23.12 20.80 1isb s ALA 15 CO 0.31 -0.59 1.53 -0.35 0.00 0.00 0.00 175.76 176.65 1isb n PRO 16 N -1.28 1.35 -0.01 0.00 -0.04 -1.26 -4.87 135.00 128.90 1isb n PRO 16 Ca 0.10 -0.53 -0.17 0.00 -0.04 0.00 0.00 63.50 62.86 1isb n PRO 16 Cb 0.52 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.03 0.74 -3.21 0.54 3.86 -1.73 -3.41 115.15 112.97 1isb h HIS 17 Ca 0.00 -0.36 -0.51 0.00 -1.16 0.00 0.00 60.37 58.34 1isb h HIS 17 Cb 0.23 -0.10 -0.37 0.00 1.06 0.00 0.00 27.41 28.23 1isb h HIS 17 CO 0.06 1.17 -0.80 0.42 0.86 0.00 0.00 177.93 179.64 1isb s ILE 18 N -3.46 0.91 0.87 2.45 1.01 -0.81 -4.90 121.20 117.27 1isb s ILE 18 Ca -0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1isb s ILE 18 Cb 0.05 -0.95 0.11 0.00 0.01 0.00 0.00 42.46 41.69 1isb s ILE 18 CO 0.84 0.35 1.09 -0.94 0.00 0.00 0.00 174.94 176.28 1isb s SER 19 N 1.67 3.73 0.38 3.58 1.04 -1.26 -2.83 113.70 120.01 1isb s SER 19 Ca 0.03 1.49 0.07 0.00 0.48 0.00 0.00 55.95 58.02 1isb s SER 19 Cb -0.13 -2.18 0.77 0.00 0.10 0.00 0.00 66.02 64.58 1isb s SER 19 CO -0.07 -2.47 1.95 0.00 0.98 0.00 0.00 173.24 173.63 1isb h ALA 20 N -1.43 1.54 -0.57 5.32 0.00 -1.90 -2.15 119.26 120.06 1isb h ALA 20 Ca -0.48 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1isb h ALA 20 Cb 1.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1isb h ALA 20 CO 0.55 0.34 0.02 1.49 0.00 0.00 0.00 179.25 181.65 1isb h GLU 21 N 0.40 1.00 -0.75 0.00 4.81 -1.92 -1.33 114.58 116.79 1isb h GLU 21 Ca 0.09 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1isb h GLU 21 Cb 0.22 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1isb h GLU 21 CO 0.00 0.99 0.35 1.15 -0.73 0.00 0.00 179.01 180.77 1isb h THR 22 N 0.89 1.24 -0.40 0.32 2.02 -1.82 -2.52 112.91 112.64 1isb h THR 22 Ca 0.16 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1isb h THR 22 Cb 0.53 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1isb h THR 22 CO 0.03 0.29 -0.03 0.40 0.37 0.00 0.00 175.52 176.58 1isb h ILE 23 N 1.07 1.27 -0.38 3.11 1.08 -0.93 0.70 117.51 123.43 1isb h ILE 23 Ca 0.26 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 1isb h ILE 23 Cb 0.13 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1isb h ILE 23 CO -0.03 0.36 0.10 1.05 -0.69 0.00 0.00 178.15 178.93 1isb h GLU 24 N 0.55 0.56 0.09 2.37 4.11 -0.99 0.32 114.58 121.58 1isb h GLU 24 Ca 0.11 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 1isb h GLU 24 Cb 0.52 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1isb h GLU 24 CO 0.03 0.51 -0.54 1.88 0.07 0.00 0.00 179.01 180.96 1isb h TYR 25 N 0.55 0.37 -0.25 2.06 0.05 -1.33 -2.00 116.97 116.43 1isb h TYR 25 Ca 0.13 -0.27 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 1isb h TYR 25 Cb 0.20 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1isb h TYR 25 CO 0.01 1.19 -0.18 1.25 -1.05 0.00 0.00 178.16 179.38 1isb h HIS 26 N -0.55 0.66 0.00 4.88 2.76 -0.77 0.53 115.15 122.67 1isb h HIS 26 Ca -0.09 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 57.84 1isb h HIS 26 Cb 1.40 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 1isb h HIS 26 CO 0.22 0.85 -0.42 -0.92 -1.30 0.00 0.00 177.93 176.36 1isb h TYR 27 N 0.27 0.00 0.00 5.26 3.20 -1.12 -1.10 116.97 123.48 1isb h TYR 27 Ca 0.05 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1isb h TYR 27 Cb 0.71 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1isb h TYR 27 CO 0.07 0.74 -0.34 0.78 -1.64 0.00 0.00 178.16 177.77 1isb h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.27 -2.80 103.07 99.82 1isb h GLY 28 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1isb h GLY 28 CO -0.06 0.00 -0.79 0.28 0.00 0.00 0.00 176.54 175.97 1isb n LYS 29 N -3.82 0.12 0.05 4.80 5.02 -0.60 -4.51 118.16 119.22 1isb n LYS 29 Ca -0.01 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1isb n LYS 29 Cb 0.42 -0.71 -0.09 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.21 -0.12 -0.52 2.13 3.86 -0.96 -0.24 115.15 119.09 1isb h HIS 30 Ca -0.08 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 1isb h HIS 30 Cb 0.69 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 1isb h HIS 30 CO -0.05 0.19 -0.01 1.25 0.86 0.00 0.00 177.93 180.16 1isb h HIS 31 N -0.42 1.02 -0.60 2.45 -0.00 -1.17 -2.61 115.15 113.81 1isb h HIS 31 Ca -0.01 -0.18 0.04 0.00 -0.00 0.00 0.00 60.37 60.21 1isb h HIS 31 Cb 0.36 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.46 1isb h HIS 31 CO 0.02 0.95 0.35 0.37 -0.00 0.00 0.00 177.93 179.62 1isb h GLN 32 N 0.81 0.65 -0.46 5.26 5.75 -1.50 -2.71 115.11 122.91 1isb h GLN 32 Ca 0.15 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1isb h GLN 32 Cb 0.55 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1isb h GLN 32 CO 0.03 0.43 0.16 1.15 -2.65 0.00 0.00 178.83 177.95 1isb h THR 33 N 0.67 1.18 -0.23 2.39 2.02 -0.68 -1.35 112.91 116.91 1isb h THR 33 Ca 0.26 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1isb h THR 33 Cb 0.09 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1isb h THR 33 CO -0.14 0.23 -0.31 1.88 0.37 0.00 0.00 175.52 177.55 1isb h TYR 34 N 0.66 0.54 -0.07 3.16 0.05 -1.17 0.52 116.97 120.66 1isb h TYR 34 Ca 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1isb h TYR 34 Cb 0.17 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1isb h TYR 34 CO 0.01 0.73 -0.00 0.28 -1.05 0.00 0.00 178.16 178.13 1isb h VAL 35 N 0.41 1.26 -0.77 -2.88 2.07 -1.22 -0.77 116.25 114.35 1isb h VAL 35 Ca 0.05 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1isb h VAL 35 Cb 0.74 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1isb h VAL 35 CO 0.06 0.23 0.48 0.74 0.02 0.00 0.00 177.57 179.09 1isb h THR 36 N -0.18 1.21 -0.43 2.57 2.02 -1.07 -1.00 112.91 116.03 1isb h THR 36 Ca 0.02 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 1isb h THR 36 Cb 0.36 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1isb h THR 36 CO 0.00 0.22 -0.20 0.78 0.37 0.00 0.00 175.52 176.69 1isb h ASN 37 N 1.06 0.93 -0.08 4.18 -0.26 -0.84 -1.40 115.58 119.17 1isb h ASN 37 Ca 0.28 -0.40 0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1isb h ASN 37 Cb -0.06 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.93 1isb h ASN 37 CO -0.05 1.13 -0.04 0.25 -1.06 0.00 0.00 177.43 177.65 1isb h LEU 38 N 0.73 -0.13 -0.80 1.61 5.85 -0.87 0.05 115.31 121.76 1isb h LEU 38 Ca 0.10 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1isb h LEU 38 Cb 0.77 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1isb h LEU 38 CO 0.06 -0.06 0.49 0.78 -0.34 0.00 0.00 178.44 179.38 1isb h ASN 39 N -0.03 0.77 -0.12 1.25 -0.26 -0.96 -1.12 115.58 115.12 1isb h ASN 39 Ca 0.05 0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.63 1isb h ASN 39 Cb 0.10 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1isb h ASN 39 CO -0.10 0.51 -0.55 0.78 -1.06 0.00 0.00 177.43 177.00 1isb h ASN 40 N 0.91 0.79 -0.45 5.81 -0.26 -0.91 -2.77 115.58 118.70 1isb h ASN 40 Ca 0.34 -0.42 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 1isb h ASN 40 Cb 0.13 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1isb h ASN 40 CO -0.16 1.18 0.01 -0.07 -1.06 0.00 0.00 177.43 177.33 1isb h LEU 41 N 0.54 0.82 -0.14 1.61 4.07 -0.40 -3.26 115.31 118.54 1isb h LEU 41 Ca 0.01 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1isb h LEU 41 Cb 1.13 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1isb h LEU 41 CO 0.11 0.88 -0.48 2.30 -1.08 0.00 0.00 178.44 180.18 1isb n ILE 42 N -4.21 0.00 -1.70 1.22 -5.35 -0.48 -4.89 119.36 103.95 1isb n ILE 42 Ca 0.03 -0.04 -0.55 0.00 -0.27 0.00 0.00 62.75 61.92 1isb n ILE 42 Cb 0.31 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.50 1isb n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1isb n LYS 43 N -1.26 1.46 -0.94 6.28 3.00 -1.05 -1.41 118.16 124.25 1isb n LYS 43 Ca 0.07 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 1isb n LYS 43 Cb 0.34 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.11 1isb n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1isb n GLY 44 N 4.18 0.77 3.92 3.14 0.00 -1.26 -5.03 105.19 110.91 1isb n GLY 44 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.02 2.63 -0.12 2.61 -4.23 -0.50 -5.00 115.64 108.01 1isb s THR 45 Ca 0.00 -1.24 0.29 0.00 -1.18 0.00 0.00 61.69 59.55 1isb s THR 45 Cb 0.00 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 71.28 1isb s THR 45 CO 0.00 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.94 1isb h ALA 46 N 0.85 1.00 0.00 3.99 0.00 -1.96 -2.74 119.26 120.40 1isb h ALA 46 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1isb h ALA 46 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1isb h ALA 46 CO 0.53 0.00 -0.09 0.74 0.00 0.00 0.00 179.25 180.43 1isb h PHE 47 N 0.00 0.00 0.00 0.00 0.04 -1.95 -2.78 116.94 112.25 1isb h PHE 47 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1isb h PHE 47 Cb 0.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1isb h PHE 47 CO 0.00 0.09 -0.02 1.49 -0.60 0.00 0.00 178.31 179.28 1isb h GLU 48 N 0.00 0.00 -0.72 1.51 4.81 -1.65 -2.63 114.58 115.91 1isb h GLU 48 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1isb h GLU 48 Cb 0.44 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.63 1isb h GLU 48 CO 0.01 0.02 0.33 0.41 -0.73 0.00 0.00 179.01 179.05 1isb n GLY 49 N -0.90 4.40 3.40 1.92 0.00 -1.05 -4.74 105.19 108.21 1isb n GLY 49 Ca -0.02 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.19 1.46 0.83 1.61 1.02 -0.99 -5.14 119.74 115.34 1isb s LYS 50 Ca 0.52 -1.55 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1isb s LYS 50 Cb 0.44 -1.59 0.09 0.00 -0.52 0.00 0.00 37.83 36.25 1isb s LYS 50 CO 0.08 0.32 1.10 -1.54 -0.92 0.00 0.00 175.35 174.39 1isb s SER 51 N -2.92 3.99 0.25 2.83 1.04 -1.26 -4.86 113.70 112.76 1isb s SER 51 Ca 0.21 1.76 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 1isb s SER 51 Cb -0.06 -2.43 0.31 0.00 0.10 0.00 0.00 66.02 63.94 1isb s SER 51 CO 0.10 -2.35 1.89 0.25 0.98 0.00 0.00 173.24 174.11 1isb h LEU 52 N -1.35 1.02 -0.60 2.42 5.85 -1.99 -1.72 115.31 118.93 1isb h LEU 52 Ca -0.45 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1isb h LEU 52 Cb 1.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1isb h LEU 52 CO 0.51 0.70 0.05 -0.33 -0.34 0.00 0.00 178.44 179.03 1isb h GLU 53 N 1.19 1.03 -0.25 1.25 3.07 -1.96 -0.55 114.58 118.36 1isb h GLU 53 Ca 0.38 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1isb h GLU 53 Cb 0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1isb h GLU 53 CO -0.13 0.99 -0.21 0.93 -1.40 0.00 0.00 179.01 179.19 1isb h GLU 54 N 0.93 0.45 -0.14 2.33 5.08 -1.80 -1.75 114.58 119.68 1isb h GLU 54 Ca 0.18 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1isb h GLU 54 Cb 0.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1isb h GLU 54 CO 0.02 0.64 0.04 0.82 -1.00 0.00 0.00 179.01 179.52 1isb h ILE 55 N 0.40 1.20 -1.01 3.13 2.04 -0.65 -2.57 117.51 120.06 1isb h ILE 55 Ca 0.07 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.39 1isb h ILE 55 Cb 0.60 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1isb h ILE 55 CO 0.04 0.18 0.65 0.40 0.00 0.00 0.00 178.15 179.42 1isb h ILE 56 N 0.03 1.04 0.00 -0.67 2.04 -0.82 -1.76 117.51 117.38 1isb h ILE 56 Ca 0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1isb h ILE 56 Cb 0.25 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1isb h ILE 56 CO 0.00 0.21 0.00 0.54 0.00 0.00 0.00 178.15 178.90 1isb n ARG 57 N -4.53 0.10 -0.09 2.37 1.74 -0.69 -3.98 116.66 111.58 1isb n ARG 57 Ca 0.16 0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.28 1isb n ARG 57 Cb 0.23 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.45 1.35 -4.61 0.55 3.41 -0.72 -5.08 113.62 107.07 1isb n SER 58 Ca 0.08 -2.06 -0.30 0.00 -0.26 0.00 0.00 58.87 56.33 1isb n SER 58 Cb 0.31 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.27 3.74 0.27 4.04 1.04 -0.89 -5.04 113.70 115.59 1isb s SER 59 Ca 0.08 -1.55 -0.01 0.00 0.48 0.00 0.00 55.95 54.95 1isb s SER 59 Cb 0.07 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1isb s SER 59 CO 0.01 -0.72 0.30 -1.83 0.98 0.00 0.00 173.24 171.97 1isb s GLU 60 N -3.81 1.55 5.61 4.02 -1.05 -1.26 -4.74 118.70 119.02 1isb s GLU 60 Ca 0.19 -1.69 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 1isb s GLU 60 Cb 0.05 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1isb s GLU 60 CO 0.10 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.14 1isb n GLY 61 N -0.44 2.97 0.32 -3.83 0.00 -1.26 -2.80 105.19 100.14 1isb n GLY 61 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 1.17 0.96 -0.02 0.00 -1.99 -0.71 103.07 102.48 1isb h GLY 62 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1isb h GLY 62 CO 0.00 0.60 0.11 -2.08 0.00 0.00 0.00 176.54 175.17 1isb h VAL 63 N 1.05 1.09 -0.07 4.60 2.07 -1.96 -2.39 116.25 120.64 1isb h VAL 63 Ca 0.24 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1isb h VAL 63 Cb 0.21 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1isb h VAL 63 CO -0.02 0.09 0.04 0.15 0.02 0.00 0.00 177.57 177.85 1isb h PHE 64 N 0.21 0.10 -0.80 1.57 3.57 -1.31 -1.20 116.94 119.07 1isb h PHE 64 Ca 0.07 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1isb h PHE 64 Cb 0.05 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1isb h PHE 64 CO -0.04 0.13 0.52 -0.91 -2.23 0.00 0.00 178.31 175.77 1isb h ASN 65 N 0.04 0.86 -0.03 0.41 2.35 -0.96 0.41 115.58 118.66 1isb h ASN 65 Ca 0.03 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1isb h ASN 65 Cb 0.06 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.24 1isb h ASN 65 CO -0.00 0.60 -0.42 0.78 -1.65 0.00 0.00 177.43 176.73 1isb h ASN 66 N 1.01 0.43 -0.41 5.81 4.21 -1.39 -2.31 115.58 122.93 1isb h ASN 66 Ca 0.32 -0.72 -0.00 0.00 1.21 0.00 0.00 56.30 57.11 1isb h ASN 66 Cb -0.01 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 1isb h ASN 66 CO -0.11 1.08 0.24 0.00 -1.29 0.00 0.00 177.43 177.36 1isb h ALA 67 N 0.36 0.52 -0.57 -0.83 0.00 -0.99 -0.67 119.26 117.08 1isb h ALA 67 Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1isb h ALA 67 Cb 1.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1isb h ALA 67 CO 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 1isb h ALA 68 N 1.11 0.89 -0.04 0.00 0.00 -1.01 -2.31 119.26 117.90 1isb h ALA 68 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1isb h ALA 68 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1isb h ALA 68 CO -0.03 0.65 -0.36 1.96 0.00 0.00 0.00 179.25 181.47 1isb h GLN 69 N 0.91 0.07 0.17 0.00 1.08 -1.13 0.12 115.11 116.33 1isb h GLN 69 Ca 0.16 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1isb h GLN 69 Cb 0.55 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1isb h GLN 69 CO 0.03 0.43 -0.08 0.28 -0.95 0.00 0.00 178.83 178.54 1isb h VAL 70 N 0.07 0.91 -0.23 -0.54 2.07 -0.74 -1.74 116.25 116.05 1isb h VAL 70 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1isb h VAL 70 Cb 0.68 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1isb h VAL 70 CO 0.05 0.09 0.09 -0.25 0.02 0.00 0.00 177.57 177.57 1isb h TRP 71 N -0.42 0.34 -0.77 1.57 7.01 -1.13 -2.51 115.95 120.05 1isb h TRP 71 Ca -0.02 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 1isb h TRP 71 Cb 0.32 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 1isb h TRP 71 CO -0.01 0.38 0.41 -0.91 -2.79 0.00 0.00 178.44 175.52 1isb h ASN 72 N 0.21 0.96 0.21 2.65 2.35 -0.76 -1.06 115.58 120.15 1isb h ASN 72 Ca 0.08 -0.08 -0.22 0.00 -0.55 0.00 0.00 56.30 55.52 1isb h ASN 72 Cb 0.18 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1isb h ASN 72 CO -0.01 0.78 -0.89 0.45 -1.65 0.00 0.00 177.43 176.12 1isb h HIS 73 N 1.08 0.71 -0.81 1.19 3.86 -1.19 -1.62 115.15 118.38 1isb h HIS 73 Ca 0.27 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1isb h HIS 73 Cb 0.04 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1isb h HIS 73 CO 0.01 1.17 0.38 1.15 0.86 0.00 0.00 177.93 181.50 1isb h THR 74 N 0.30 1.26 -0.33 2.45 2.02 -1.07 -1.46 112.91 116.08 1isb h THR 74 Ca -0.07 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1isb h THR 74 Cb 1.51 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1isb h THR 74 CO 0.16 0.31 0.15 0.15 0.37 0.00 0.00 175.52 176.66 1isb h PHE 75 N 1.16 0.48 -0.30 3.16 3.57 -1.15 -2.85 116.94 121.01 1isb h PHE 75 Ca 0.28 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1isb h PHE 75 Cb 0.14 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1isb h PHE 75 CO 0.01 0.43 0.06 -0.92 -2.23 0.00 0.00 178.31 175.67 1isb h TYR 76 N 0.39 0.10 -0.41 0.41 3.20 -0.91 -2.22 116.97 117.53 1isb h TYR 76 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1isb h TYR 76 Cb 0.14 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1isb h TYR 76 CO -0.01 0.02 0.19 -1.49 -1.64 0.00 0.00 178.16 175.23 1isb h TRP 77 N 0.17 0.56 0.00 -3.82 -0.00 -1.16 -1.78 115.95 109.92 1isb h TRP 77 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 1isb h TRP 77 Cb 0.15 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 1isb h TRP 77 CO -0.17 0.42 0.00 -0.91 -0.00 0.00 0.00 178.44 177.78 1isb h ASN 78 N 0.57 0.00 0.55 -3.49 4.21 -1.21 -2.76 115.58 113.45 1isb h ASN 78 Ca 0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1isb h ASN 78 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1isb h ASN 78 CO -0.02 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.12 1isb s LEU 80 N -2.61 2.79 -0.04 0.00 1.43 -1.04 -0.55 118.68 118.65 1isb s LEU 80 Ca 0.24 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1isb s LEU 80 Cb 0.18 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.90 1isb s LEU 80 CO 0.42 0.15 0.73 0.00 0.23 0.00 0.00 176.35 177.88 1isb s ALA 81 N -1.35 -1.78 0.59 4.21 0.00 -0.30 -4.68 121.76 118.45 1isb s ALA 81 Ca 0.20 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1isb s ALA 81 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1isb s ALA 81 CO 0.12 -0.41 1.19 -1.25 0.00 0.00 0.00 175.76 175.41 1isb s PRO 82 N -1.51 3.00 -1.38 0.00 0.04 -1.26 -4.12 135.00 129.77 1isb s PRO 82 Ca -0.08 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1isb s PRO 82 Cb -0.00 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1isb s PRO 82 CO 0.06 -1.17 0.91 0.09 0.04 0.00 0.00 177.00 176.93 1isb n ASN 83 N -1.62 -3.30 0.00 6.66 4.13 -1.26 -4.94 115.26 114.93 1isb n ASN 83 Ca 0.13 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.65 1isb n ASN 83 Cb 0.50 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.47 1isb n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1isb n ALA 84 N -4.51 0.00 -0.60 5.41 0.00 -1.26 -5.11 120.51 114.44 1isb n ALA 84 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1isb n ALA 84 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.66 0.38 7.00 0.00 0.00 -0.17 -4.76 105.19 108.29 1isb n GLY 85 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.36 3.79 -0.02 0.00 -1.24 -4.81 105.19 101.56 1isb n GLY 86 Ca 0.00 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 4.46 0.89 1.61 2.02 -1.26 -5.00 118.70 121.42 1isb s GLU 87 Ca 0.00 1.08 -0.12 0.00 0.02 0.00 0.00 54.97 55.95 1isb s GLU 87 Cb 0.00 -3.06 0.13 0.00 0.10 0.00 0.00 34.13 31.30 1isb s GLU 87 CO 0.00 0.47 1.13 -1.25 0.02 0.00 0.00 175.26 175.63 1isb s PRO 88 N -1.58 1.29 0.27 0.39 0.04 -1.26 -5.09 135.00 129.05 1isb s PRO 88 Ca 0.40 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.82 1isb s PRO 88 Cb -0.20 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1isb s PRO 88 CO 0.24 -2.11 0.07 -0.08 0.04 0.00 0.00 177.00 175.16 1isb s THR 89 N -3.26 0.80 0.00 1.26 -1.32 -1.26 -4.55 115.64 107.32 1isb s THR 89 Ca 0.63 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1isb s THR 89 Cb -0.15 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1isb s THR 89 CO 0.53 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1isb n GLY 90 N -0.51 2.00 0.37 6.08 0.00 -1.26 -3.20 105.19 108.67 1isb n GLY 90 Ca -0.02 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1isb n GLY 90 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1isb h LYS 91 N 0.00 1.07 0.14 1.61 3.64 -1.99 -2.25 116.57 118.79 1isb h LYS 91 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1isb h LYS 91 Cb 0.00 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1isb h LYS 91 CO 0.00 0.71 -0.09 0.28 -2.27 0.00 0.00 179.45 178.08 1isb h VAL 92 N 1.10 0.81 -0.48 2.00 2.07 -1.95 -0.25 116.25 119.56 1isb h VAL 92 Ca 0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 1isb h VAL 92 Cb 0.16 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1isb h VAL 92 CO -0.15 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.67 1isb h ALA 93 N 0.63 1.51 -0.24 1.67 0.00 -1.43 -0.69 119.26 120.71 1isb h ALA 93 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1isb h ALA 93 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1isb h ALA 93 CO 0.01 0.40 0.09 1.49 0.00 0.00 0.00 179.25 181.24 1isb h GLU 94 N 0.67 0.36 -0.52 0.00 4.81 -1.06 -0.29 114.58 118.55 1isb h GLU 94 Ca 0.17 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1isb h GLU 94 Cb 0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1isb h GLU 94 CO -0.02 0.42 -0.06 0.00 -0.73 0.00 0.00 179.01 178.61 1isb h ALA 95 N 0.92 0.91 -0.27 2.92 0.00 -0.29 -1.41 119.26 122.05 1isb h ALA 95 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1isb h ALA 95 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1isb h ALA 95 CO -0.01 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.69 1isb h ILE 96 N 0.84 1.26 -0.84 0.00 2.04 -1.00 -2.45 117.51 117.36 1isb h ILE 96 Ca 0.14 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1isb h ILE 96 Cb 0.58 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1isb h ILE 96 CO 0.04 0.30 0.49 0.00 0.00 0.00 0.00 178.15 178.98 1isb h ALA 97 N 0.81 1.07 -0.68 1.87 0.00 -0.91 -0.79 119.26 120.64 1isb h ALA 97 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1isb h ALA 97 Cb 0.44 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1isb h ALA 97 CO 0.02 0.55 0.44 0.00 0.00 0.00 0.00 179.25 180.25 1isb h ALA 98 N 1.26 0.89 0.00 0.00 0.00 -1.11 -0.47 119.26 119.83 1isb h ALA 98 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1isb h ALA 98 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1isb h ALA 98 CO -0.05 0.22 -1.35 0.43 0.00 0.00 0.00 179.25 178.51 1isb n SER 99 N -4.66 0.86 0.00 0.00 7.64 -0.94 -4.48 113.62 112.05 1isb n SER 99 Ca 0.07 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1isb n SER 99 Cb 0.07 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.85 0.00 0.00 1.43 3.72 -0.31 -4.96 117.46 114.48 1isb n PHE 100 Ca -0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1isb n PHE 100 Cb 0.79 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.13 2.26 3.77 1.37 0.00 -0.19 -4.47 105.19 107.79 1isb n GLY 101 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.10 0.14 1.61 1.04 -1.26 -4.69 113.70 110.43 1isb s SER 102 Ca 0.00 -0.84 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 1isb s SER 102 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1isb s SER 102 CO 0.00 -1.38 1.68 0.15 0.98 0.00 0.00 173.24 174.67 1isb h PHE 103 N 2.06 0.64 -0.73 5.02 3.57 -1.90 -1.82 116.94 123.77 1isb h PHE 103 Ca -0.24 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.28 1isb h PHE 103 Cb 1.25 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1isb h PHE 103 CO 0.69 0.57 0.48 0.00 -2.23 0.00 0.00 178.31 177.81 1isb h ALA 104 N 1.00 1.71 -0.14 2.41 0.00 -1.97 0.89 119.26 123.17 1isb h ALA 104 Ca 0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1isb h ALA 104 Cb 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1isb h ALA 104 CO -0.01 0.17 -0.62 -0.44 0.00 0.00 0.00 179.25 178.35 1isb h ASP 105 N 0.75 0.78 -0.25 0.00 3.32 -1.80 -2.00 116.42 117.22 1isb h ASP 105 Ca 0.32 -0.63 0.02 0.00 0.02 0.00 0.00 57.03 56.76 1isb h ASP 105 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1isb h ASP 105 CO -0.11 1.28 0.10 0.15 -1.72 0.00 0.00 179.24 178.95 1isb h PHE 106 N 0.33 0.19 -0.47 4.55 3.57 -0.72 -1.78 116.94 122.61 1isb h PHE 106 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1isb h PHE 106 Cb 1.26 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1isb h PHE 106 CO 0.10 0.09 0.27 -0.22 -2.23 0.00 0.00 178.31 176.32 1isb h LYS 107 N 0.23 0.65 -0.29 1.11 3.64 -0.82 -0.40 116.57 120.68 1isb h LYS 107 Ca 0.11 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1isb h LYS 107 Cb 0.06 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1isb h LYS 107 CO -0.10 0.50 0.17 0.00 -2.27 0.00 0.00 179.45 177.75 1isb h ALA 108 N 1.12 0.36 -0.33 5.00 0.00 -1.29 -1.04 119.26 123.08 1isb h ALA 108 Ca 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1isb h ALA 108 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1isb h ALA 108 CO -0.03 -0.21 0.02 1.96 0.00 0.00 0.00 179.25 181.00 1isb h GLN 109 N 0.35 0.56 -0.16 0.00 4.20 -0.85 -1.40 115.11 117.81 1isb h GLN 109 Ca 0.12 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1isb h GLN 109 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1isb h GLN 109 CO -0.06 0.67 0.09 0.35 -0.67 0.00 0.00 178.83 179.21 1isb h PHE 110 N 0.37 0.22 -0.52 2.96 3.04 -1.06 -1.48 116.94 120.47 1isb h PHE 110 Ca 0.10 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1isb h PHE 110 Cb 0.40 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.78 1isb h PHE 110 CO 0.03 0.21 0.20 1.15 -2.02 0.00 0.00 178.31 177.89 1isb h THR 111 N 0.17 0.84 -0.29 4.41 2.02 -1.07 -1.39 112.91 117.60 1isb h THR 111 Ca 0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1isb h THR 111 Cb 0.06 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1isb h THR 111 CO -0.01 0.07 0.12 -0.78 0.37 0.00 0.00 175.52 175.30 1isb h ASP 112 N 0.40 0.39 -0.67 4.18 3.58 -1.13 -1.03 116.42 122.14 1isb h ASP 112 Ca 0.25 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.56 1isb h ASP 112 Cb 0.26 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1isb h ASP 112 CO -0.24 0.44 0.43 0.00 -2.88 0.00 0.00 179.24 176.99 1isb h ALA 113 N 0.97 0.86 -0.49 -0.78 0.00 -1.03 -1.58 119.26 117.21 1isb h ALA 113 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1isb h ALA 113 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1isb h ALA 113 CO -0.01 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.63 1isb h ALA 114 N 1.26 0.65 -0.44 0.00 0.00 -0.96 -2.05 119.26 117.72 1isb h ALA 114 Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1isb h ALA 114 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1isb h ALA 114 CO -0.08 0.30 -0.09 0.82 0.00 0.00 0.00 179.25 180.21 1isb h ILE 115 N 0.67 1.25 -0.00 0.00 2.04 -1.02 -3.15 117.51 117.30 1isb h ILE 115 Ca 0.16 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1isb h ILE 115 Cb 0.27 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1isb h ILE 115 CO -0.00 0.39 -0.13 0.29 0.00 0.00 0.00 178.15 178.70 1isb n LYS 116 N -4.17 0.49 -1.95 2.37 5.02 -0.61 -4.77 118.16 114.53 1isb n LYS 116 Ca 0.02 -0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.76 1isb n LYS 116 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1isb n LYS 116 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1isb s ASN 117 N -2.62 5.22 0.04 4.39 3.84 -0.79 -4.93 114.94 120.10 1isb s ASN 117 Ca 0.25 0.60 -0.31 0.00 0.21 0.00 0.00 52.86 53.61 1isb s ASN 117 Cb 0.20 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 38.30 1isb s ASN 117 CO 0.51 -2.37 1.48 0.12 -2.79 0.00 0.00 177.10 174.05 1isb s PHE 118 N 9.29 2.79 0.00 0.43 5.36 -1.26 -4.78 117.98 129.81 1isb s PHE 118 Ca 0.74 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1isb s PHE 118 Cb -0.15 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 1isb s PHE 118 CO 0.23 -2.87 0.00 0.41 -1.46 0.00 0.00 175.22 171.53 1isb n GLY 119 N 3.73 0.22 3.85 13.12 0.00 -1.26 -4.84 105.19 120.00 1isb n GLY 119 Ca 0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 6.74 0.00 1.61 0.01 -1.26 -4.72 113.70 112.07 1isb s SER 120 Ca 0.00 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1isb s SER 120 Cb 0.00 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1isb s SER 120 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1isb n GLY 121 N 1.04 -0.67 3.09 3.44 0.00 -1.26 -0.43 105.19 110.40 1isb n GLY 121 Ca -0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.08 -0.04 1.61 0.52 -0.93 -0.72 118.94 116.29 1isb s TRP 122 Ca 0.00 0.18 0.05 0.00 0.02 0.00 0.00 56.10 56.35 1isb s TRP 122 Cb 0.00 0.01 -0.01 0.00 -1.15 0.00 0.00 33.47 32.33 1isb s TRP 122 CO 0.00 -0.20 -0.20 0.99 0.02 0.00 0.00 176.95 177.56 1isb s THR 123 N -0.69 1.65 0.04 2.01 2.01 -0.95 -0.89 115.64 118.82 1isb s THR 123 Ca -0.08 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1isb s THR 123 Cb -0.05 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1isb s THR 123 CO 0.01 0.47 -0.19 0.26 -0.69 0.00 0.00 174.62 174.48 1isb s TRP 124 N -0.08 1.65 -0.23 4.92 0.52 0.39 -1.38 118.94 124.72 1isb s TRP 124 Ca -0.03 -0.36 -0.11 0.00 0.02 0.00 0.00 56.10 55.62 1isb s TRP 124 Cb -0.12 -0.98 -0.05 0.00 -1.15 0.00 0.00 33.47 31.17 1isb s TRP 124 CO 0.02 0.07 0.19 -1.17 0.02 0.00 0.00 176.95 176.09 1isb s LEU 125 N -1.12 4.12 0.21 2.99 2.96 -0.25 -1.53 118.68 126.06 1isb s LEU 125 Ca 0.06 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1isb s LEU 125 Cb -0.08 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1isb s LEU 125 CO 0.02 0.05 -0.14 0.68 -1.32 0.00 0.00 176.35 175.63 1isb s VAL 126 N 1.09 1.79 -0.26 1.68 -7.23 -0.30 -0.85 120.40 116.32 1isb s VAL 126 Ca 0.09 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 57.97 1isb s VAL 126 Cb -0.14 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 1isb s VAL 126 CO 0.05 -0.57 0.05 -0.75 -0.31 0.00 0.00 175.10 173.57 1isb s LYS 127 N -3.64 3.42 0.81 4.82 2.20 -0.25 -1.77 119.74 125.34 1isb s LYS 127 Ca 0.23 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 1isb s LYS 127 Cb -0.01 -3.27 0.08 0.00 -1.51 0.00 0.00 37.83 33.12 1isb s LYS 127 CO 0.08 -0.27 1.10 -0.80 -0.36 0.00 0.00 175.35 175.09 1isb s ASN 128 N 1.55 4.34 0.41 1.43 0.01 -0.17 -1.08 114.94 121.42 1isb s ASN 128 Ca 0.05 1.33 0.18 0.00 -0.71 0.00 0.00 52.86 53.71 1isb s ASN 128 Cb -0.15 -2.06 1.09 0.00 0.41 0.00 0.00 41.25 40.53 1isb s ASN 128 CO 0.02 -2.07 1.83 0.77 -1.51 0.00 0.00 177.10 176.14 1isb h SER 129 N -1.16 0.42 0.73 -1.22 4.64 -1.89 -0.84 113.55 114.24 1isb h SER 129 Ca -0.47 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1isb h SER 129 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1isb h SER 129 CO 0.59 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 175.79 1isb n ASP 130 N -4.54 0.06 0.00 4.97 5.75 -1.26 -4.91 116.55 116.62 1isb n ASP 130 Ca 0.21 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.50 1isb n ASP 130 Cb 0.75 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1isb n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1isb n GLY 131 N 0.61 1.77 3.81 6.12 0.00 -0.32 -5.08 105.19 112.09 1isb n GLY 131 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.79 4.36 0.38 1.61 -0.14 -1.26 -4.77 119.74 119.13 1isb s LYS 132 Ca 0.00 1.11 -0.11 0.00 -1.36 0.00 0.00 55.97 55.61 1isb s LYS 132 Cb 0.00 -2.62 -0.07 0.00 -1.68 0.00 0.00 37.83 33.46 1isb s LYS 132 CO 0.00 0.21 0.75 -0.51 -0.76 0.00 0.00 175.35 175.04 1isb s LEU 133 N -2.42 3.89 0.10 3.17 1.43 -1.26 -1.00 118.68 122.58 1isb s LEU 133 Ca 0.52 1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 54.61 1isb s LEU 133 Cb -0.15 -4.01 0.03 0.00 0.03 0.00 0.00 46.19 42.10 1isb s LEU 133 CO 0.20 -0.35 0.39 0.00 0.23 0.00 0.00 176.35 176.82 1isb s ALA 134 N -2.27 -0.91 -0.19 4.21 0.00 -0.73 -4.92 121.76 116.96 1isb s ALA 134 Ca 0.52 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1isb s ALA 134 Cb -0.10 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 1isb s ALA 134 CO 0.28 -0.57 0.03 0.42 0.00 0.00 0.00 175.76 175.92 1isb s ILE 135 N -3.38 4.44 -0.01 0.00 1.01 -1.26 -1.15 121.20 120.85 1isb s ILE 135 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.54 1isb s ILE 135 Cb 0.01 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1isb s ILE 135 CO -0.09 0.45 -0.13 -0.69 0.00 0.00 0.00 174.94 174.48 1isb s VAL 136 N 0.59 1.01 0.01 2.92 1.01 -0.58 -4.99 120.40 120.36 1isb s VAL 136 Ca 0.01 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1isb s VAL 136 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1isb s VAL 136 CO 0.02 0.28 -0.08 -0.44 0.00 0.00 0.00 175.10 174.87 1isb s SER 137 N -0.33 4.54 0.26 3.32 0.01 -1.26 -0.46 113.70 119.78 1isb s SER 137 Ca 0.05 -0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.23 1isb s SER 137 Cb -0.05 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 1isb s SER 137 CO -0.00 0.28 -0.17 0.42 0.41 0.00 0.00 173.24 174.17 1isb s THR 138 N -1.00 2.20 -0.01 1.44 -4.23 -0.07 -5.00 115.64 108.98 1isb s THR 138 Ca 0.17 -2.33 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1isb s THR 138 Cb -0.11 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1isb s THR 138 CO 0.08 -0.45 0.01 -0.55 -0.54 0.00 0.00 174.62 173.16 1isb s SER 139 N -3.45 5.21 1.21 3.99 0.15 -1.26 -2.20 113.70 117.36 1isb s SER 139 Ca 0.28 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1isb s SER 139 Cb -0.03 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1isb s SER 139 CO 0.12 0.29 0.00 0.59 1.20 0.00 0.00 173.24 175.44 1isb n ASN 140 N 1.42 0.00 -1.19 5.45 5.03 0.42 -1.33 115.26 125.06 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 0.26 0.00 -1.02 0.00 0.00 39.78 39.54 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 9.13 2.41 -1.60 5.41 0.00 -1.26 -4.38 120.51 130.22 1isb n ALA 141 Ca 0.00 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 1isb n ALA 141 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 18.55 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 1.54 -0.28 3.10 0.00 0.00 -0.44 -4.60 105.19 104.50 1isb n GLY 142 Ca 0.21 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.28 0.05 0.58 2.61 -1.32 -1.26 -4.72 115.64 110.30 1isb s THR 143 Ca 0.63 -0.44 0.37 0.00 -1.21 0.00 0.00 61.69 61.04 1isb s THR 143 Cb -0.56 -0.39 0.37 0.00 -1.51 0.00 0.00 72.50 70.42 1isb s THR 143 CO 0.57 -0.24 2.14 -0.65 -2.21 0.00 0.00 174.62 174.23 1isb h PRO 144 N 4.79 0.00 -0.01 7.08 0.11 -1.95 -2.99 132.00 139.02 1isb h PRO 144 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1isb h PRO 144 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1isb h PRO 144 CO 0.40 0.00 0.07 -0.07 -0.21 0.00 0.00 178.00 178.19 1isb h LEU 145 N 0.00 0.00 -0.48 2.35 3.38 -1.97 0.26 115.31 118.85 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 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 -3.18 0.16 -4.30 0.22 -2.24 -1.13 -4.86 114.28 98.95 1isb n THR 146 Ca -0.02 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1isb n THR 146 Cb 0.14 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.15 0.00 0.84 4.28 -2.24 0.08 -5.04 114.28 112.05 1isb n THR 147 Ca 0.06 -1.34 0.12 0.00 -2.27 0.00 0.00 64.05 60.62 1isb n THR 147 Cb 0.12 0.45 0.53 0.00 -2.10 0.00 0.00 70.33 69.33 1isb n THR 147 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1isb n ASP 148 N -1.68 0.11 -4.83 3.42 9.92 -1.26 -4.91 116.55 117.32 1isb n ASP 148 Ca -0.04 0.51 -0.32 0.00 -0.53 0.00 0.00 54.79 54.41 1isb n ASP 148 Cb 0.35 -0.54 -0.05 0.00 -0.64 0.00 0.00 41.12 40.23 1isb n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1isb s ALA 149 N -3.02 3.09 -0.26 2.24 0.00 -1.26 -4.26 121.76 118.29 1isb s ALA 149 Ca 0.12 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1isb s ALA 149 Cb 0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1isb s ALA 149 CO 0.48 0.00 0.14 0.99 0.00 0.00 0.00 175.76 177.38 1isb s THR 150 N -2.34 5.00 0.20 0.00 2.01 -0.24 -4.57 115.64 115.70 1isb s THR 150 Ca 0.60 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 1isb s THR 150 Cb -0.10 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 1isb s THR 150 CO 0.21 0.30 1.45 -2.84 -0.69 0.00 0.00 174.62 173.06 1isb s PRO 151 N 1.53 4.27 -0.03 4.92 0.02 -1.26 -1.09 135.00 143.36 1isb s PRO 151 Ca 0.07 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1isb s PRO 151 Cb -0.15 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 1isb s PRO 151 CO 0.07 -0.45 -0.01 1.28 -0.33 0.00 0.00 177.00 177.56 1isb n LEU 152 N 3.01 1.33 -3.69 -5.54 4.77 -0.03 -4.90 117.00 111.96 1isb n LEU 152 Ca 0.09 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1isb n LEU 152 Cb 0.40 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1isb n LEU 152 CO 0.60 0.28 0.19 -0.22 -1.33 0.00 0.00 177.39 176.92 1isb s LEU 153 N -4.64 0.11 0.05 2.23 2.96 -1.15 -4.36 118.68 113.87 1isb s LEU 153 Ca -0.03 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 1isb s LEU 153 Cb 0.01 1.76 -0.03 0.00 0.50 0.00 0.00 46.19 48.43 1isb s LEU 153 CO 0.09 -0.27 0.02 0.28 -1.32 0.00 0.00 176.35 175.15 1isb s THR 154 N -0.15 0.19 -0.04 3.68 -1.32 -1.26 -1.09 115.64 115.64 1isb s THR 154 Ca -0.03 -1.54 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 1isb s THR 154 Cb -0.03 -1.28 0.01 0.00 -1.51 0.00 0.00 72.50 69.69 1isb s THR 154 CO 0.02 -0.85 -0.10 0.54 -2.21 0.00 0.00 174.62 172.03 1isb s VAL 155 N -3.47 0.88 -0.21 5.08 0.11 -0.48 -4.90 120.40 117.42 1isb s VAL 155 Ca 0.03 -0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 1isb s VAL 155 Cb 0.04 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1isb s VAL 155 CO -0.08 0.29 1.12 -0.62 -3.33 0.00 0.00 175.10 172.48 1isb s ASP 156 N 0.51 7.04 -0.12 3.54 -1.08 -1.26 -2.25 116.67 123.05 1isb s ASP 156 Ca -0.09 1.50 0.15 0.00 -0.52 0.00 0.00 52.55 53.58 1isb s ASP 156 Cb -0.13 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.19 1isb s ASP 156 CO 0.02 -0.71 1.30 1.33 0.52 0.00 0.00 175.17 177.63 1isb n VAL 157 N 5.34 1.84 -1.67 1.11 0.24 0.10 -4.81 118.33 120.48 1isb n VAL 157 Ca 0.13 -1.71 -0.43 0.00 -2.04 0.00 0.00 64.34 60.29 1isb n VAL 157 Cb 0.46 -0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.78 1isb n VAL 157 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1isb n TRP 158 N -0.49 2.06 0.21 6.34 7.02 -1.14 -4.36 117.44 127.08 1isb n TRP 158 Ca 0.16 0.57 0.14 0.00 -1.02 0.00 0.00 57.50 57.36 1isb n TRP 158 Cb 0.69 -2.39 0.76 0.00 -2.42 0.00 0.00 31.31 27.96 1isb n TRP 158 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1isb h GLU 159 N 2.63 0.00 0.00 -0.99 5.08 -1.93 -0.62 114.58 118.75 1isb h GLU 159 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1isb h GLU 159 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1isb h GLU 159 CO 0.64 0.00 -0.01 1.12 -1.00 0.00 0.00 179.01 179.76 1isb h HIS 160 N 0.00 0.00 0.00 4.33 2.07 -1.98 0.18 115.15 119.75 1isb h HIS 160 Ca 0.07 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.53 1isb h HIS 160 Cb 0.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 1isb h HIS 160 CO 0.00 0.01 -0.26 0.00 -3.07 0.00 0.00 177.93 174.61 1isb h ALA 161 N 1.99 1.16 0.00 6.11 0.00 -1.42 -3.38 119.26 123.72 1isb h ALA 161 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1isb h ALA 161 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1isb h ALA 161 CO 0.00 0.32 0.00 2.48 0.00 0.00 0.00 179.25 182.06 1isb n TYR 162 N -3.63 0.00 0.12 0.00 0.18 -0.97 -4.89 117.16 107.97 1isb n TYR 162 Ca -0.01 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.79 1isb n TYR 162 Cb 0.39 0.00 0.39 0.00 -0.38 0.00 0.00 39.34 39.73 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 0.25 -0.49 -3.48 3.20 -1.15 0.73 116.97 116.03 1isb h TYR 163 Ca 0.00 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1isb h TYR 163 Cb 0.04 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1isb h TYR 163 CO 0.00 0.37 -0.15 0.82 -1.64 0.00 0.00 178.16 177.56 1isb h ILE 164 N 0.23 1.27 0.00 1.81 2.04 -1.84 -1.56 117.51 119.45 1isb h ILE 164 Ca 0.05 -1.30 -0.32 0.00 1.00 0.00 0.00 64.86 64.29 1isb h ILE 164 Cb 0.38 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1isb h ILE 164 CO 0.02 0.45 -1.92 0.47 0.00 0.00 0.00 178.15 177.17 1isb n ASP 165 N -4.13 0.61 0.00 1.72 8.00 -0.94 -4.59 116.55 117.22 1isb n ASP 165 Ca 0.01 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1isb n ASP 165 Cb 0.42 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.96 0.00 0.00 1.24 4.01 0.21 -5.08 117.16 114.58 1isb n TYR 166 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1isb n TYR 166 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 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 -0.42 0.00 0.00 -0.72 5.12 -0.59 -1.36 116.66 118.69 1isb n ARG 167 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1isb n ARG 167 Cb 0.02 0.00 0.58 0.00 -1.16 0.00 0.00 32.46 31.90 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 3.62 0.00 -3.73 0.55 0.23 -1.26 -4.38 115.26 110.29 1isb n ASN 168 Ca 0.00 0.27 -0.42 0.00 -0.53 0.00 0.00 54.58 53.91 1isb n ASN 168 Cb 0.00 -0.42 -0.00 0.00 -2.08 0.00 0.00 39.78 37.28 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 -1.42 5.79 -0.26 -2.53 0.00 -0.47 -4.75 120.51 116.88 1isb n ALA 169 Ca 0.08 -4.11 0.23 0.00 0.00 0.00 0.00 53.44 49.65 1isb n ALA 169 Cb 0.26 -3.14 0.57 0.00 0.00 0.00 0.00 19.45 17.15 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 5.60 0.28 -0.73 0.00 2.43 -1.83 -0.45 114.38 119.67 1isb h ARG 170 Ca 0.52 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.66 1isb h ARG 170 Cb 0.56 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1isb h ARG 170 CO 1.69 0.19 0.39 -1.35 -1.51 0.00 0.00 179.97 179.38 1isb h PRO 171 N 0.29 1.02 -0.39 0.20 0.11 -1.98 -1.97 132.00 129.28 1isb h PRO 171 Ca 0.50 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 1isb h PRO 171 Cb 1.45 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1isb h PRO 171 CO -0.16 0.76 0.16 0.78 -0.21 0.00 0.00 178.00 179.33 1isb h GLY 172 N 1.07 0.62 0.63 -0.55 0.00 -1.49 -0.97 103.07 102.38 1isb h GLY 172 Ca 0.26 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.31 1isb h GLY 172 CO -0.04 0.32 0.25 -1.82 0.00 0.00 0.00 176.54 175.25 1isb h TYR 173 N 0.48 0.45 -0.30 5.60 3.20 -1.20 -2.23 116.97 122.97 1isb h TYR 173 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1isb h TYR 173 Cb 0.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1isb h TYR 173 CO -0.00 0.19 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.43 1isb h LEU 174 N 0.47 0.55 -0.56 2.82 -0.00 -1.04 0.87 115.31 118.41 1isb h LEU 174 Ca 0.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1isb h LEU 174 Cb 0.20 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1isb h LEU 174 CO -0.20 0.76 0.32 -0.08 -0.00 0.00 0.00 178.44 179.25 1isb h GLU 175 N 0.49 0.78 0.00 1.13 4.81 -0.90 -2.56 114.58 118.33 1isb h GLU 175 Ca 0.08 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1isb h GLU 175 Cb 0.63 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1isb h GLU 175 CO 0.05 0.59 -0.29 0.45 -0.73 0.00 0.00 179.01 179.07 1isb h HIS 176 N 0.76 0.00 -0.98 0.92 3.86 -1.08 -3.01 115.15 115.63 1isb h HIS 176 Ca 0.20 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1isb h HIS 176 Cb 0.02 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1isb h HIS 176 CO -0.02 0.29 0.64 0.35 0.86 0.00 0.00 177.93 180.06 1isb h PHE 177 N 0.00 1.19 0.00 2.45 3.57 -0.42 -2.51 116.94 121.23 1isb h PHE 177 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1isb h PHE 177 Cb 0.97 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1isb h PHE 177 CO 0.00 0.68 -0.08 -1.49 -2.23 0.00 0.00 178.31 175.19 1isb h TRP 178 N 1.22 0.00 0.00 0.41 4.06 -1.38 -1.44 115.95 118.83 1isb h TRP 178 Ca 0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.34 1isb h TRP 178 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1isb h TRP 178 CO -0.00 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 174.96 1isb n ALA 179 N -2.29 2.11 0.64 1.49 0.00 -0.94 -3.60 120.51 117.93 1isb n ALA 179 Ca -0.02 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1isb n ALA 179 Cb 0.19 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.77 0.64 -4.70 0.00 4.77 -0.55 -3.33 117.00 112.06 1isb n LEU 180 Ca 0.05 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.14 1isb n LEU 180 Cb 0.32 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1isb n LEU 180 CO 0.24 0.16 1.37 0.52 -1.33 0.00 0.00 177.39 178.36 1isb n VAL 181 N -1.40 0.10 -2.91 4.08 0.31 -1.17 -1.16 118.33 116.19 1isb n VAL 181 Ca 0.02 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.90 1isb n VAL 181 Cb 0.24 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 1isb n VAL 181 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1isb s ASN 182 N 1.55 6.73 0.56 4.52 3.04 0.29 -1.00 114.94 130.64 1isb s ASN 182 Ca 0.78 -2.25 0.33 0.00 0.04 0.00 0.00 52.86 51.75 1isb s ASN 182 Cb -0.53 -2.41 1.68 0.00 -1.54 0.00 0.00 41.25 38.45 1isb s ASN 182 CO 0.35 -1.01 2.13 -0.50 -3.04 0.00 0.00 177.10 175.03 1isb h TRP 183 N 8.46 0.00 -0.82 0.43 4.06 -1.90 -1.86 115.95 124.32 1isb h TRP 183 Ca 0.20 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1isb h TRP 183 Cb 0.99 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.11 1isb h TRP 183 CO 1.16 0.06 0.47 0.93 -3.56 0.00 0.00 178.44 177.50 1isb h GLU 184 N 0.00 1.12 -0.26 0.49 3.07 -1.97 -1.01 114.58 116.01 1isb h GLU 184 Ca -0.00 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1isb h GLU 184 Cb 0.28 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1isb h GLU 184 CO 0.01 0.80 -0.35 0.35 -1.40 0.00 0.00 179.01 178.42 1isb h PHE 185 N 1.13 0.86 -0.79 4.33 3.57 -1.64 -2.29 116.94 122.11 1isb h PHE 185 Ca 0.29 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1isb h PHE 185 Cb -0.01 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 1isb h PHE 185 CO 0.01 1.04 0.52 0.28 -2.23 0.00 0.00 178.31 177.92 1isb h VAL 186 N 0.43 1.20 -0.59 1.41 2.07 -1.32 -1.02 116.25 118.44 1isb h VAL 186 Ca 0.03 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1isb h VAL 186 Cb 0.93 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1isb h VAL 186 CO 0.08 0.20 0.16 0.00 0.02 0.00 0.00 177.57 178.03 1isb h ALA 187 N 1.29 1.19 -0.20 1.67 0.00 -1.03 -0.57 119.26 121.60 1isb h ALA 187 Ca 0.29 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1isb h ALA 187 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1isb h ALA 187 CO -0.06 0.56 -0.34 0.87 0.00 0.00 0.00 179.25 180.28 1isb h LYS 188 N 0.86 0.41 -0.25 0.00 1.57 -0.81 -1.89 116.57 116.47 1isb h LYS 188 Ca 0.19 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1isb h LYS 188 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1isb h LYS 188 CO -0.00 0.71 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.18 1isb h ASN 189 N 0.35 0.74 0.39 0.86 -0.26 -0.60 -3.06 115.58 114.00 1isb h ASN 189 Ca 0.04 -0.37 -0.10 0.00 -0.56 0.00 0.00 56.30 55.31 1isb h ASN 189 Cb 0.77 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 1isb h ASN 189 CO 0.06 1.11 -0.44 0.25 -1.06 0.00 0.00 177.43 177.35 1isb h LEU 190 N 0.54 0.07 0.00 1.61 5.85 -0.78 -3.19 115.31 119.41 1isb h LEU 190 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1isb h LEU 190 Cb 1.04 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1isb h LEU 190 CO 0.10 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 1isb n ALA 191 N -2.46 2.47 -0.42 1.25 0.00 -0.74 -5.11 120.51 115.51 1isb n ALA 191 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1isb n ALA 191 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1isb n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50