#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsb s ASN 2 N 0.00 0.08 0.31 6.12 2.20 -1.26 -5.03 114.94 117.35 1qsb s ASN 2 Ca 0.00 -1.01 0.04 0.00 -0.94 0.00 0.00 52.86 50.96 1qsb s ASN 2 Cb 0.00 0.68 0.67 0.00 -2.00 0.00 0.00 41.25 40.60 1qsb s ASN 2 CO 0.00 -1.32 1.83 -0.29 -2.94 0.00 0.00 177.10 174.38 1qsb h ILE 3 N 2.13 0.85 -0.16 0.54 6.09 -1.97 0.54 117.51 125.52 1qsb h ILE 3 Ca -0.26 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 62.90 1qsb h ILE 3 Cb 1.25 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 1qsb h ILE 3 CO 0.34 0.16 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.32 1qsb h PHE 4 N 0.87 0.31 -0.52 2.19 -1.00 -1.99 -0.87 116.94 115.92 1qsb h PHE 4 Ca 0.50 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 61.17 1qsb h PHE 4 Cb 0.64 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1qsb h PHE 4 CO -0.00 0.51 0.08 0.93 -1.61 0.00 0.00 178.31 178.21 1qsb h GLU 5 N 0.02 0.82 0.09 1.51 5.08 -1.83 -0.86 114.58 119.40 1qsb h GLU 5 Ca 0.04 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1qsb h GLU 5 Cb 0.38 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1qsb h GLU 5 CO 0.01 0.78 -0.04 1.98 -1.00 0.00 0.00 179.01 180.73 1qsb h MET 6 N 0.78 -0.11 0.00 2.33 4.05 -0.76 -2.05 114.93 119.17 1qsb h MET 6 Ca 0.16 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.51 1qsb h MET 6 Cb 0.36 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1qsb h MET 6 CO 0.01 -0.02 -0.41 -0.07 0.23 0.00 0.00 176.91 176.64 1qsb h LEU 7 N -0.17 0.00 -1.16 3.39 3.38 -1.07 -1.75 115.31 117.92 1qsb h LEU 7 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1qsb h LEU 7 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1qsb h LEU 7 CO 0.02 0.41 -0.12 -0.09 0.09 0.00 0.00 178.44 178.76 1qsb h ARG 8 N 0.00 0.45 -0.07 1.13 9.65 -0.92 0.85 114.38 125.47 1qsb h ARG 8 Ca -0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.70 1qsb h ARG 8 Cb 0.81 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1qsb h ARG 8 CO 0.05 0.57 -0.17 0.82 2.80 0.00 0.00 179.97 184.04 1qsb h ILE 9 N 0.42 1.42 -0.10 1.20 2.04 -0.95 -1.98 117.51 119.55 1qsb h ILE 9 Ca 0.08 -1.52 -0.10 0.00 1.00 0.00 0.00 64.86 64.32 1qsb h ILE 9 Cb 0.46 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1qsb h ILE 9 CO 0.03 0.43 -0.39 0.44 0.00 0.00 0.00 178.15 178.65 1qsb h ASP 10 N -0.27 0.23 0.01 1.72 3.32 -1.02 -3.32 116.42 117.09 1qsb h ASP 10 Ca -0.00 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 1qsb h ASP 10 Cb 0.77 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1qsb h ASP 10 CO 0.04 0.61 -2.17 -0.62 -1.72 0.00 0.00 179.24 175.37 1qsb n GLU 11 N -4.04 0.67 -0.06 3.56 -0.58 0.26 -5.07 120.64 115.38 1qsb n GLU 11 Ca -0.01 -0.11 0.01 0.00 -0.42 0.00 0.00 57.16 56.63 1qsb n GLU 11 Cb 0.46 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1qsb n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qsb n GLY 12 N 1.49 -2.21 2.69 0.62 0.00 -0.74 -4.47 105.19 102.55 1qsb n GLY 12 Ca -0.17 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1qsb n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qsb s LEU 13 N 0.00 0.45 -0.06 0.99 2.96 -1.26 -4.33 118.68 117.44 1qsb s LEU 13 Ca 0.00 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1qsb s LEU 13 Cb 0.00 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1qsb s LEU 13 CO 0.00 -0.27 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.53 1qsb s ARG 14 N 2.07 1.41 0.00 1.98 0.52 -0.59 -5.00 118.95 119.34 1qsb s ARG 14 Ca 0.03 -0.33 0.27 0.00 -0.52 0.00 0.00 55.73 55.19 1qsb s ARG 14 Cb -0.14 -1.21 0.88 0.00 0.52 0.00 0.00 34.95 35.00 1qsb s ARG 14 CO -0.06 0.01 1.65 1.28 0.02 0.00 0.00 175.30 178.20 1qsb n LEU 15 N 3.81 1.62 -4.35 2.53 4.77 -1.26 0.22 117.00 124.34 1qsb n LEU 15 Ca -0.23 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 54.96 1qsb n LEU 15 Cb 0.52 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1qsb n LEU 15 CO 0.25 0.27 -0.54 -0.54 -1.33 0.00 0.00 177.39 175.50 1qsb s LYS 16 N -2.08 1.29 0.33 3.23 3.01 -1.26 -1.50 119.74 122.75 1qsb s LYS 16 Ca 0.34 -1.29 -0.26 0.00 -1.01 0.00 0.00 55.97 53.75 1qsb s LYS 16 Cb 0.21 -1.65 -0.13 0.00 -1.01 0.00 0.00 37.83 35.25 1qsb s LYS 16 CO 0.36 0.38 0.94 -0.89 0.51 0.00 0.00 175.35 176.65 1qsb n ILE 17 N 0.88 2.07 -4.15 2.17 5.41 -0.86 -4.74 119.36 120.16 1qsb n ILE 17 Ca -0.18 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 62.93 1qsb n ILE 17 Cb 0.54 -0.95 -0.07 0.00 -0.71 0.00 0.00 39.64 38.45 1qsb n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1qsb s TYR 18 N -1.16 1.11 -0.13 1.39 -0.85 0.67 -4.96 117.35 113.41 1qsb s TYR 18 Ca 0.60 -1.29 -0.05 0.00 -0.52 0.00 0.00 57.07 55.81 1qsb s TYR 18 Cb -0.66 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1qsb s TYR 18 CO 0.59 -0.90 0.06 0.15 -1.52 0.00 0.00 175.55 173.92 1qsb s LYS 19 N -3.66 3.50 0.14 -3.49 1.02 -1.26 -0.61 119.74 115.38 1qsb s LYS 19 Ca 0.34 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 1qsb s LYS 19 Cb 0.02 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1qsb s LYS 19 CO 0.17 0.54 0.18 -0.40 -0.92 0.00 0.00 175.35 174.93 1qsb n ASP 20 N 2.68 -0.16 0.30 2.83 5.75 0.01 -4.81 116.55 123.15 1qsb n ASP 20 Ca -0.18 -1.00 0.19 0.00 -0.01 0.00 0.00 54.79 53.79 1qsb n ASP 20 Cb 0.53 -0.14 0.90 0.00 -1.03 0.00 0.00 41.12 41.38 1qsb n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1qsb h THR 21 N -1.19 0.08 -0.24 2.12 1.35 -1.99 -1.31 112.91 111.73 1qsb h THR 21 Ca -0.06 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1qsb h THR 21 Cb 0.17 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1qsb h THR 21 CO 0.04 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 174.71 1qsb n GLU 22 N -3.16 2.17 -0.98 4.72 -0.58 -1.26 -4.95 120.64 116.60 1qsb n GLU 22 Ca -0.01 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1qsb n GLU 22 Cb 0.21 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1qsb n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qsb n GLY 23 N 1.34 0.40 3.87 0.62 0.00 -0.49 -5.07 105.19 105.86 1qsb n GLY 23 Ca 0.18 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1qsb n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qsb s TYR 24 N -2.00 3.60 0.16 1.61 4.12 -1.26 -4.67 117.35 118.90 1qsb s TYR 24 Ca 0.00 0.75 -0.31 0.00 0.02 0.00 0.00 57.07 57.53 1qsb s TYR 24 Cb 0.00 -2.13 -0.09 0.00 -1.52 0.00 0.00 41.96 38.23 1qsb s TYR 24 CO 0.00 0.56 1.42 0.71 0.02 0.00 0.00 175.55 178.26 1qsb s TYR 25 N -1.33 3.17 0.16 2.71 4.12 -1.19 -0.81 117.35 124.18 1qsb s TYR 25 Ca 0.30 0.93 -0.04 0.00 0.02 0.00 0.00 57.07 58.28 1qsb s TYR 25 Cb -0.14 -3.75 -0.03 0.00 -1.52 0.00 0.00 41.96 36.53 1qsb s TYR 25 CO 0.17 -2.58 0.17 0.99 0.02 0.00 0.00 175.55 174.32 1qsb s THR 26 N 0.79 0.07 0.12 -0.71 2.01 0.22 -0.74 115.64 117.40 1qsb s THR 26 Ca 0.64 -1.71 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1qsb s THR 26 Cb -0.39 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1qsb s THR 26 CO 0.34 -0.32 0.32 -0.51 -0.69 0.00 0.00 174.62 173.76 1qsb s ILE 27 N -4.03 0.09 0.00 1.82 2.07 -0.88 -0.24 121.20 120.03 1qsb s ILE 27 Ca 0.24 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1qsb s ILE 27 Cb 0.05 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.32 1qsb s ILE 27 CO 0.03 -0.43 0.00 0.61 -1.91 0.00 0.00 174.94 173.24 1qsb n GLY 28 N -0.17 1.51 2.85 1.50 0.00 0.13 -1.43 105.19 109.58 1qsb n GLY 28 Ca -0.14 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1qsb n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qsb n ILE 29 N 0.00 5.41 -1.52 -0.61 5.41 -1.26 -1.54 119.36 125.24 1qsb n ILE 29 Ca 0.00 -5.61 -0.07 0.00 1.00 0.00 0.00 62.75 58.06 1qsb n ILE 29 Cb 0.00 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 36.93 1qsb n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qsb n GLY 30 N 1.19 0.66 3.49 7.39 0.00 -1.24 -4.92 105.19 111.76 1qsb n GLY 30 Ca 0.36 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1qsb n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qsb s HIS 31 N -2.31 2.72 0.24 1.61 5.04 -0.52 -4.92 115.29 117.16 1qsb s HIS 31 Ca 0.00 -0.30 -0.30 0.00 -1.54 0.00 0.00 55.06 52.92 1qsb s HIS 31 Cb 0.00 -4.18 -0.11 0.00 0.04 0.00 0.00 32.58 28.33 1qsb s HIS 31 CO 0.00 -1.52 1.54 -1.17 -2.34 0.00 0.00 174.74 171.26 1qsb s LEU 32 N 4.04 4.37 -0.24 8.88 2.96 -1.26 -2.07 118.68 135.35 1qsb s LEU 32 Ca 0.26 2.77 -0.07 0.00 -0.22 0.00 0.00 54.13 56.87 1qsb s LEU 32 Cb -0.15 -3.62 -0.17 0.00 0.50 0.00 0.00 46.19 42.76 1qsb s LEU 32 CO 0.14 -0.82 -0.15 0.18 -1.32 0.00 0.00 176.35 174.38 1qsb n LEU 33 N 2.76 2.45 -3.54 -0.68 4.77 0.08 -4.94 117.00 117.90 1qsb n LEU 33 Ca 0.09 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1qsb n LEU 33 Cb 0.38 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1qsb n LEU 33 CO 0.62 0.73 0.74 0.28 -1.33 0.00 0.00 177.39 178.43 1qsb s THR 34 N -2.50 0.00 -2.01 -5.08 -1.32 -1.19 -4.93 115.64 98.61 1qsb s THR 34 Ca -0.34 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.38 1qsb s THR 34 Cb 0.11 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.25 1qsb s THR 34 CO 0.58 0.00 1.34 0.29 -2.21 0.00 0.00 174.62 174.62 1qsb n LYS 35 N 0.14 1.15 -2.50 7.08 5.02 -1.26 -3.15 118.16 124.63 1qsb n LYS 35 Ca -0.09 -0.85 -0.38 0.00 -2.02 0.00 0.00 58.31 54.98 1qsb n LYS 35 Cb 0.60 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1qsb n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qsb s SER 36 N -2.43 6.86 0.04 4.39 0.15 -1.26 -4.91 113.70 116.53 1qsb s SER 36 Ca 0.23 2.12 0.18 0.00 0.70 0.00 0.00 55.95 59.18 1qsb s SER 36 Cb 0.19 -2.60 0.75 0.00 -1.71 0.00 0.00 66.02 62.65 1qsb s SER 36 CO 0.52 -0.43 1.56 -2.65 1.20 0.00 0.00 173.24 173.45 1qsb n PRO 37 N 0.25 0.03 -2.94 5.44 -0.02 -1.26 -4.70 135.00 131.80 1qsb n PRO 37 Ca 0.03 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1qsb n PRO 37 Cb 0.48 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1qsb n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qsb s SER 38 N -3.19 7.02 0.37 2.55 0.15 -1.26 -4.92 113.70 114.41 1qsb s SER 38 Ca 0.08 1.24 0.14 0.00 0.70 0.00 0.00 55.95 58.11 1qsb s SER 38 Cb 0.11 -2.45 0.71 0.00 -1.71 0.00 0.00 66.02 62.68 1qsb s SER 38 CO 0.32 -0.25 1.79 0.25 1.20 0.00 0.00 173.24 176.55 1qsb h LEU 39 N 7.43 0.00 -0.35 3.45 5.85 -2.00 -1.55 115.31 128.15 1qsb h LEU 39 Ca -0.36 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.19 1qsb h LEU 39 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1qsb h LEU 39 CO 0.79 0.40 -0.47 0.78 -0.34 0.00 0.00 178.44 179.59 1qsb h ASN 40 N 0.00 0.99 -0.94 1.25 4.21 -1.97 -0.51 115.58 118.61 1qsb h ASN 40 Ca -0.00 -0.49 0.00 0.00 1.21 0.00 0.00 56.30 57.01 1qsb h ASN 40 Cb 0.75 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 37.62 1qsb h ASN 40 CO 0.05 1.30 0.60 0.00 -1.29 0.00 0.00 177.43 178.08 1qsb h ALA 41 N 0.73 1.27 -0.32 -0.83 0.00 -1.80 -0.68 119.26 117.63 1qsb h ALA 41 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qsb h ALA 41 Cb 1.07 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1qsb h ALA 41 CO 0.11 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.21 1qsb h ALA 42 N 1.36 0.40 -0.58 0.00 0.00 -0.85 -0.63 119.26 118.97 1qsb h ALA 42 Ca 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1qsb h ALA 42 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1qsb h ALA 42 CO -0.07 -0.12 0.19 0.87 0.00 0.00 0.00 179.25 180.12 1qsb h LYS 43 N 0.42 0.86 -0.34 0.00 1.57 -0.74 0.20 116.57 118.54 1qsb h LYS 43 Ca 0.11 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1qsb h LYS 43 Cb -0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1qsb h LYS 43 CO -0.02 0.74 -0.44 1.03 -0.57 0.00 0.00 179.45 180.19 1qsb h SER 44 N 0.84 0.97 -0.06 0.86 0.87 -0.75 -1.92 113.55 114.36 1qsb h SER 44 Ca 0.19 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.17 1qsb h SER 44 Cb 0.24 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1qsb h SER 44 CO -0.01 1.27 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.92 1qsb h GLU 45 N 0.72 0.53 -0.49 2.24 4.39 -0.66 -2.65 114.58 118.67 1qsb h GLU 45 Ca 0.04 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 1qsb h GLU 45 Cb 1.04 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1qsb h GLU 45 CO 0.10 0.78 -0.08 1.25 -1.16 0.00 0.00 179.01 179.90 1qsb h LEU 46 N 0.46 0.91 -0.78 1.33 5.85 -0.12 -1.55 115.31 121.41 1qsb h LEU 46 Ca 0.06 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1qsb h LEU 46 Cb 0.76 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1qsb h LEU 46 CO 0.06 1.04 0.31 0.44 -0.34 0.00 0.00 178.44 179.96 1qsb h ASP 47 N 0.77 1.07 -0.43 1.25 3.32 -1.31 0.15 116.42 121.23 1qsb h ASP 47 Ca 0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1qsb h ASP 47 Cb 0.62 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1qsb h ASP 47 CO 0.04 0.95 0.09 0.50 -1.72 0.00 0.00 179.24 179.10 1qsb h LYS 48 N 1.12 0.77 -0.08 3.56 3.64 -1.37 1.27 116.57 125.49 1qsb h LYS 48 Ca 0.26 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1qsb h LYS 48 Cb 0.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1qsb h LYS 48 CO -0.02 0.72 -0.80 0.00 -2.27 0.00 0.00 179.45 177.07 1qsb h ALA 49 N 1.36 0.45 0.00 5.00 0.00 -0.45 -3.26 119.26 122.36 1qsb h ALA 49 Ca 0.16 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1qsb h ALA 49 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1qsb h ALA 49 CO 0.00 0.75 -1.41 -0.89 0.00 0.00 0.00 179.25 177.70 1qsb n ILE 50 N -3.84 1.18 -1.06 0.00 2.08 -0.04 -4.99 119.36 112.68 1qsb n ILE 50 Ca -0.06 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.56 1qsb n ILE 50 Cb 0.75 -0.73 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 1qsb n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qsb n GLY 51 N 1.39 0.84 3.80 7.39 0.00 0.43 -5.03 105.19 114.01 1qsb n GLY 51 Ca -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 1qsb n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qsb s ARG 52 N -2.37 1.38 -0.51 1.61 1.70 -0.90 -5.04 118.95 114.83 1qsb s ARG 52 Ca 0.00 -0.81 -0.24 0.00 -0.47 0.00 0.00 55.73 54.21 1qsb s ARG 52 Cb 0.00 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1qsb s ARG 52 CO 0.00 -0.64 0.87 1.21 -1.08 0.00 0.00 175.30 175.66 1qsb s ASN 53 N -3.06 6.36 0.02 -2.89 2.47 -1.26 -4.34 114.94 112.25 1qsb s ASN 53 Ca 0.15 -0.30 0.22 0.00 0.42 0.00 0.00 52.86 53.35 1qsb s ASN 53 Cb -0.02 -2.41 -0.24 0.00 -1.45 0.00 0.00 41.25 37.12 1qsb s ASN 53 CO 0.04 -1.10 0.62 0.35 -3.72 0.00 0.00 177.10 173.29 1qsb n THR 54 N 6.15 0.26 -2.86 -5.21 -2.24 -1.26 -4.96 114.28 104.15 1qsb n THR 54 Ca 0.02 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1qsb n THR 54 Cb 0.48 -0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1qsb n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qsb n ASN 55 N -2.41 -5.92 -0.18 3.42 5.15 -1.26 -2.67 115.26 111.39 1qsb n ASN 55 Ca -0.04 -0.22 -0.02 0.00 -0.60 0.00 0.00 54.58 53.69 1qsb n ASN 55 Cb 0.60 -4.78 -0.01 0.00 -0.53 0.00 0.00 39.78 35.06 1qsb n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qsb n GLY 56 N -1.40 0.52 3.09 8.20 0.00 -1.26 -5.02 105.19 109.31 1qsb n GLY 56 Ca -0.14 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1qsb n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qsb s VAL 57 N -1.83 1.10 0.31 1.61 1.01 -1.09 -2.02 120.40 119.48 1qsb s VAL 57 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1qsb s VAL 57 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1qsb s VAL 57 CO 0.00 0.32 0.06 0.27 0.00 0.00 0.00 175.10 175.75 1qsb s ILE 58 N -0.14 1.03 0.53 2.22 -4.36 -0.56 -4.79 121.20 115.13 1qsb s ILE 58 Ca 0.02 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 1qsb s ILE 58 Cb -0.07 -2.74 0.05 0.00 1.25 0.00 0.00 42.46 40.95 1qsb s ILE 58 CO 0.00 -0.01 0.73 0.42 0.24 0.00 0.00 174.94 176.32 1qsb s THR 59 N -3.41 2.59 0.20 8.37 -4.23 -1.26 -4.82 115.64 113.08 1qsb s THR 59 Ca 0.37 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1qsb s THR 59 Cb 0.08 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.33 1qsb s THR 59 CO 0.15 0.00 1.76 0.50 -0.54 0.00 0.00 174.62 176.49 1qsb h LYS 60 N 0.23 1.08 -0.77 3.99 3.64 -1.99 -0.30 116.57 122.46 1qsb h LYS 60 Ca -0.37 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 1qsb h LYS 60 Cb 1.28 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1qsb h LYS 60 CO 0.45 0.89 0.38 -0.44 -2.27 0.00 0.00 179.45 178.45 1qsb h ASP 61 N 1.04 0.99 -0.46 4.20 3.32 -1.99 -0.51 116.42 123.01 1qsb h ASP 61 Ca 0.24 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1qsb h ASP 61 Cb 0.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1qsb h ASP 61 CO -0.02 0.83 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.93 1qsb h GLU 62 N 1.09 0.86 -0.89 3.56 5.08 -1.70 -0.02 114.58 122.56 1qsb h GLU 62 Ca 0.27 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1qsb h GLU 62 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1qsb h GLU 62 CO -0.04 0.94 0.55 0.00 -1.00 0.00 0.00 179.01 179.46 1qsb h ALA 63 N 0.89 1.29 -0.01 3.43 0.00 -0.62 -1.27 119.26 122.97 1qsb h ALA 63 Ca 0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1qsb h ALA 63 Cb 0.60 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qsb h ALA 63 CO 0.04 0.62 -0.41 0.93 0.00 0.00 0.00 179.25 180.43 1qsb h GLU 64 N 1.22 0.01 -0.11 0.00 5.08 -0.76 -0.51 114.58 119.52 1qsb h GLU 64 Ca 0.32 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.50 1qsb h GLU 64 Cb -0.07 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1qsb h GLU 64 CO -0.06 0.42 -0.64 -0.22 -1.00 0.00 0.00 179.01 177.51 1qsb h LYS 65 N 0.01 0.62 -0.50 2.33 3.64 -0.20 -1.29 116.57 121.18 1qsb h LYS 65 Ca -0.00 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1qsb h LYS 65 Cb 0.72 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1qsb h LYS 65 CO 0.05 1.14 0.29 -0.07 -2.27 0.00 0.00 179.45 178.60 1qsb h LEU 66 N 0.27 0.60 -0.13 5.20 3.38 -0.97 -1.98 115.31 121.68 1qsb h LEU 66 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1qsb h LEU 66 Cb 1.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1qsb h LEU 66 CO 0.13 0.47 0.04 0.15 0.09 0.00 0.00 178.44 179.32 1qsb h PHE 67 N 0.69 0.21 -0.80 1.13 3.57 -0.87 -0.33 116.94 120.54 1qsb h PHE 67 Ca 0.18 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1qsb h PHE 67 Cb -0.01 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 1qsb h PHE 67 CO 0.00 0.34 0.46 -0.91 -2.23 0.00 0.00 178.31 175.97 1qsb h ASN 68 N 0.03 0.66 -0.53 0.41 2.35 -0.95 0.14 115.58 117.69 1qsb h ASN 68 Ca 0.04 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1qsb h ASN 68 Cb 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1qsb h ASN 68 CO -0.00 0.39 0.01 1.56 -1.65 0.00 0.00 177.43 177.74 1qsb h GLN 69 N 0.79 0.93 -0.41 0.81 4.20 -1.00 -1.94 115.11 118.49 1qsb h GLN 69 Ca 0.38 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1qsb h GLN 69 Cb 0.32 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1qsb h GLN 69 CO -0.23 0.94 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.37 1qsb h ASP 70 N 0.80 0.66 -0.30 1.46 3.32 -0.45 -0.53 116.42 121.38 1qsb h ASP 70 Ca 0.15 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1qsb h ASP 70 Cb 0.51 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1qsb h ASP 70 CO 0.03 0.77 -0.07 0.58 -1.72 0.00 0.00 179.24 178.82 1qsb h VAL 71 N 0.63 1.28 -0.35 -1.35 2.07 -0.91 -0.99 116.25 116.64 1qsb h VAL 71 Ca 0.12 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1qsb h VAL 71 Cb 0.48 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1qsb h VAL 71 CO 0.02 0.35 0.18 -0.78 0.02 0.00 0.00 177.57 177.37 1qsb h ASP 72 N 0.34 0.27 -0.86 0.57 3.58 -1.21 -1.27 116.42 117.84 1qsb h ASP 72 Ca 0.07 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1qsb h ASP 72 Cb 0.56 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 1qsb h ASP 72 CO 0.03 0.20 0.52 0.00 -2.88 0.00 0.00 179.24 177.11 1qsb h ALA 73 N 1.18 1.09 -0.19 -0.78 0.00 -0.97 -1.62 119.26 117.97 1qsb h ALA 73 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1qsb h ALA 73 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1qsb h ALA 73 CO -0.10 0.55 0.07 0.00 0.00 0.00 0.00 179.25 179.77 1qsb h ALA 74 N 1.28 0.21 -0.47 0.00 0.00 -0.42 0.27 119.26 120.14 1qsb h ALA 74 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1qsb h ALA 74 Cb -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1qsb h ALA 74 CO -0.06 -0.36 0.22 0.28 0.00 0.00 0.00 179.25 179.33 1qsb h VAL 75 N 0.16 0.93 -0.15 0.00 2.07 -0.88 -0.76 116.25 117.63 1qsb h VAL 75 Ca 0.08 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 1qsb h VAL 75 Cb 0.05 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1qsb h VAL 75 CO -0.08 0.08 -0.38 0.03 0.02 0.00 0.00 177.57 177.24 1qsb h ARG 76 N 0.44 0.32 -0.38 1.57 2.47 -1.05 0.16 114.38 117.91 1qsb h ARG 76 Ca 0.21 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1qsb h ARG 76 Cb 0.14 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1qsb h ARG 76 CO -0.16 0.66 0.18 0.78 0.56 0.00 0.00 179.97 181.99 1qsb h GLY 77 N 1.16 0.60 0.80 0.04 0.00 0.31 -1.26 103.07 104.70 1qsb h GLY 77 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1qsb h GLY 77 CO 0.06 0.29 -0.00 -2.22 0.00 0.00 0.00 176.54 174.67 1qsb h ILE 78 N 0.48 0.91 0.00 2.60 2.04 -0.56 -1.44 117.51 121.54 1qsb h ILE 78 Ca 0.13 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1qsb h ILE 78 Cb 0.13 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1qsb h ILE 78 CO -0.02 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 178.00 1qsb h LEU 79 N 0.04 0.00 0.00 1.44 3.38 -0.39 -1.68 115.31 118.11 1qsb h LEU 79 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qsb h LEU 79 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qsb h LEU 79 CO -0.11 0.07 -0.76 0.54 0.09 0.00 0.00 178.44 178.27 1qsb n ARG 80 N -3.41 0.10 -3.11 1.13 1.74 -0.50 -4.80 116.66 107.82 1qsb n ARG 80 Ca -0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 1qsb n ARG 80 Cb 0.21 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 1qsb n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qsb s ASN 81 N -3.35 6.85 0.57 0.55 3.84 -0.58 -4.95 114.94 117.87 1qsb s ASN 81 Ca 0.08 1.03 0.37 0.00 0.21 0.00 0.00 52.86 54.54 1qsb s ASN 81 Cb 0.16 -2.37 1.74 0.00 -0.55 0.00 0.00 41.25 40.23 1qsb s ASN 81 CO 0.76 -0.15 2.10 0.00 -2.79 0.00 0.00 177.10 177.03 1qsb h ALA 82 N 6.97 1.00 0.00 1.71 0.00 -1.89 -0.17 119.26 126.88 1qsb h ALA 82 Ca -0.38 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.27 1qsb h ALA 82 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1qsb h ALA 82 CO 0.76 0.00 -1.78 1.63 0.00 0.00 0.00 179.25 179.87 1qsb n LYS 83 N -3.01 0.64 0.02 0.00 4.01 -1.26 -4.48 118.16 114.08 1qsb n LYS 83 Ca -0.01 0.20 -0.22 0.00 -0.51 0.00 0.00 58.31 57.77 1qsb n LYS 83 Cb 0.21 -1.73 -0.14 0.00 -0.51 0.00 0.00 35.03 32.85 1qsb n LYS 83 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1qsb h LEU 84 N 0.00 0.45 -0.55 -0.35 3.38 -1.68 -3.39 115.31 113.17 1qsb h LEU 84 Ca -0.30 -0.89 0.11 0.00 0.09 0.00 0.00 57.88 56.89 1qsb h LEU 84 Cb 1.92 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 1qsb h LEU 84 CO 0.06 1.75 -0.09 0.50 0.09 0.00 0.00 178.44 180.75 1qsb h LYS 85 N -0.09 0.04 -0.30 1.13 3.64 -0.97 -0.51 116.57 119.51 1qsb h LYS 85 Ca -0.36 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1qsb h LYS 85 Cb 1.93 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 1qsb h LYS 85 CO 0.09 0.03 0.20 -1.00 -2.27 0.00 0.00 179.45 176.49 1qsb h PRO 86 N 0.04 0.38 -0.09 1.90 0.13 -1.81 0.27 132.00 132.83 1qsb h PRO 86 Ca 0.27 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.32 1qsb h PRO 86 Cb 0.42 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1qsb h PRO 86 CO -0.53 0.25 -0.18 0.28 -0.23 0.00 0.00 178.00 177.59 1qsb h VAL 87 N 0.39 1.40 -0.68 1.56 2.07 -1.33 -1.82 116.25 117.85 1qsb h VAL 87 Ca 0.11 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1qsb h VAL 87 Cb -0.03 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1qsb h VAL 87 CO -0.02 0.42 0.42 0.22 0.02 0.00 0.00 177.57 178.63 1qsb h TYR 88 N -0.19 0.89 0.00 1.57 3.20 -0.69 -1.28 116.97 120.46 1qsb h TYR 88 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1qsb h TYR 88 Cb 0.77 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1qsb h TYR 88 CO 0.11 0.59 -0.18 -0.44 -1.64 0.00 0.00 178.16 176.60 1qsb h ASP 89 N 0.92 0.00 1.34 -2.11 3.32 -0.37 -2.53 116.42 116.99 1qsb h ASP 89 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1qsb h ASP 89 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1qsb h ASP 89 CO -0.05 0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.11 1qsb n SER 90 N -3.50 0.67 -4.91 6.45 3.41 -0.51 -4.90 113.62 110.33 1qsb n SER 90 Ca -0.01 0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 1qsb n SER 90 Cb 0.34 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 1qsb n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qsb s LEU 91 N -4.28 3.73 0.84 1.04 1.43 -0.96 -5.07 118.68 115.42 1qsb s LEU 91 Ca 0.11 0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 1qsb s LEU 91 Cb 0.13 -3.82 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1qsb s LEU 91 CO 0.57 -0.50 1.16 1.51 0.23 0.00 0.00 176.35 179.32 1qsb s ASP 92 N -3.89 4.17 0.24 2.29 1.47 -1.26 -4.77 116.67 114.92 1qsb s ASP 92 Ca 0.47 0.89 -0.06 0.00 1.18 0.00 0.00 52.55 55.03 1qsb s ASP 92 Cb -0.10 -1.44 0.32 0.00 -0.34 0.00 0.00 42.92 41.36 1qsb s ASP 92 CO 0.41 -2.13 1.85 0.00 0.68 0.00 0.00 175.17 175.98 1qsb h ALA 93 N -1.21 1.16 -0.27 2.11 0.00 -1.98 0.40 119.26 119.47 1qsb h ALA 93 Ca -0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1qsb h ALA 93 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qsb h ALA 93 CO 0.64 0.28 -0.01 0.28 0.00 0.00 0.00 179.25 180.43 1qsb h VAL 94 N 0.97 1.26 -0.19 0.00 2.07 -1.94 -2.72 116.25 115.70 1qsb h VAL 94 Ca 0.37 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1qsb h VAL 94 Cb 0.16 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1qsb h VAL 94 CO -0.17 0.31 -0.30 0.03 0.02 0.00 0.00 177.57 177.46 1qsb h ARG 95 N 0.27 0.38 -0.70 1.57 3.08 -1.78 -1.06 114.38 116.14 1qsb h ARG 95 Ca 0.08 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1qsb h ARG 95 Cb 0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1qsb h ARG 95 CO 0.02 0.65 0.46 0.00 -1.07 0.00 0.00 179.97 180.03 1qsb h ARG 96 N 0.33 0.76 -0.17 0.04 3.08 -0.79 -0.76 114.38 116.88 1qsb h ARG 96 Ca 0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1qsb h ARG 96 Cb 0.70 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1qsb h ARG 96 CO 0.05 0.51 -0.03 0.00 -1.07 0.00 0.00 179.97 179.43 1qsb h ALA 97 N 1.61 1.64 -0.64 0.04 0.00 -0.88 -1.39 119.26 119.63 1qsb h ALA 97 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1qsb h ALA 97 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1qsb h ALA 97 CO -0.09 0.27 0.27 0.00 0.00 0.00 0.00 179.25 179.71 1qsb h LEU 99 N 0.89 0.36 -0.51 0.00 5.85 -0.95 -2.11 115.31 118.85 1qsb h LEU 99 Ca 0.22 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1qsb h LEU 99 Cb 0.17 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1qsb h LEU 99 CO -0.02 0.67 -0.09 0.40 -0.34 0.00 0.00 178.44 179.06 1qsb h ILE 100 N 0.30 1.27 -0.49 4.05 2.04 -0.88 -2.17 117.51 121.63 1qsb h ILE 100 Ca 0.04 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1qsb h ILE 100 Cb 0.73 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1qsb h ILE 100 CO 0.06 0.43 0.32 -1.13 0.00 0.00 0.00 178.15 177.83 1qsb h ASN 101 N 0.82 0.54 -0.81 1.72 -0.73 -0.99 0.14 115.58 116.28 1qsb h ASN 101 Ca 0.13 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 1qsb h ASN 101 Cb 0.65 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 39.07 1qsb h ASN 101 CO 0.04 0.39 0.36 0.24 -0.37 0.00 0.00 177.43 178.09 1qsb h MET 102 N 0.65 1.19 -0.33 6.67 2.86 -1.21 -0.78 114.93 123.98 1qsb h MET 102 Ca 0.19 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1qsb h MET 102 Cb -0.05 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1qsb h MET 102 CO -0.05 0.94 -0.28 0.28 1.06 0.00 0.00 176.91 178.86 1qsb h VAL 103 N 1.17 1.28 -0.59 -2.22 2.07 -0.72 0.59 116.25 117.82 1qsb h VAL 103 Ca 0.27 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 1qsb h VAL 103 Cb 0.17 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1qsb h VAL 103 CO -0.03 0.46 0.09 0.15 0.02 0.00 0.00 177.57 178.25 1qsb h PHE 104 N 0.59 1.02 -0.02 1.57 3.57 -0.29 0.32 116.94 123.70 1qsb h PHE 104 Ca 0.07 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1qsb h PHE 104 Cb 0.78 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1qsb h PHE 104 CO 0.04 0.87 -0.48 0.37 -2.23 0.00 0.00 178.31 176.88 1qsb h GLN 105 N 0.91 0.36 -0.01 1.11 4.15 -0.65 -3.40 115.11 117.58 1qsb h GLN 105 Ca 0.18 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1qsb h GLN 105 Cb 0.41 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1qsb h GLN 105 CO 0.01 1.03 0.00 0.00 -1.93 0.00 0.00 178.83 177.94 1qsb n MET 106 N -4.31 -0.23 0.00 1.69 0.00 0.16 -5.11 117.12 109.32 1qsb n MET 106 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 57.70 56.86 1qsb n MET 106 Cb 0.61 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1qsb n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qsb n GLY 107 N 0.02 -2.60 0.20 3.17 0.00 0.09 -3.83 105.19 102.25 1qsb n GLY 107 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 1qsb n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qsb h GLU 108 N 0.00 0.15 -0.25 1.61 4.81 -1.92 -0.10 114.58 118.87 1qsb h GLU 108 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qsb h GLU 108 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1qsb h GLU 108 CO 0.00 0.10 0.15 1.15 -0.73 0.00 0.00 179.01 179.68 1qsb h THR 109 N 0.15 1.09 -0.04 0.32 2.02 -1.97 0.10 112.91 114.58 1qsb h THR 109 Ca 0.26 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1qsb h THR 109 Cb 0.39 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1qsb h THR 109 CO -0.41 0.09 0.02 1.23 0.37 0.00 0.00 175.52 176.83 1qsb h GLY 110 N 0.32 0.07 1.55 2.16 0.00 -1.45 -2.64 103.07 103.07 1qsb h GLY 110 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1qsb h GLY 110 CO -0.02 0.03 -0.18 -2.08 0.00 0.00 0.00 176.54 174.30 1qsb h VAL 111 N -0.03 1.25 0.00 4.60 2.07 -0.91 -2.04 116.25 121.19 1qsb h VAL 111 Ca 0.02 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1qsb h VAL 111 Cb 0.10 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1qsb h VAL 111 CO -0.00 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1qsb n ALA 112 N -2.48 1.52 1.06 1.67 0.00 0.33 -1.44 120.51 121.16 1qsb n ALA 112 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1qsb n ALA 112 Cb 0.36 -1.34 0.61 0.00 0.00 0.00 0.00 19.45 19.09 1qsb n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qsb n GLY 113 N -0.31 -1.34 2.23 0.00 0.00 -0.77 -3.98 105.19 101.03 1qsb n GLY 113 Ca 0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1qsb n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qsb n PHE 114 N -1.42 1.11 -0.16 1.61 3.01 -0.52 -4.72 117.46 116.36 1qsb n PHE 114 Ca 0.09 -2.03 -0.02 0.00 1.01 0.00 0.00 57.45 56.50 1qsb n PHE 114 Cb 0.28 -1.72 0.05 0.00 -0.01 0.00 0.00 39.48 38.08 1qsb n PHE 114 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1qsb h THR 115 N 2.23 0.51 -0.57 4.37 1.35 -1.83 -0.72 112.91 118.25 1qsb h THR 115 Ca 0.42 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 66.20 1qsb h THR 115 Cb 0.97 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1qsb h THR 115 CO 0.80 0.01 0.08 0.78 -0.25 0.00 0.00 175.52 176.94 1qsb h ASN 116 N 0.03 0.87 -0.06 5.36 2.35 -1.95 -2.31 115.58 119.87 1qsb h ASN 116 Ca 0.25 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1qsb h ASN 116 Cb 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1qsb h ASN 116 CO -0.50 0.88 -0.30 0.28 -1.65 0.00 0.00 177.43 176.14 1qsb h SER 117 N 0.87 0.53 -0.38 5.81 0.02 -1.64 -1.96 113.55 116.80 1qsb h SER 117 Ca 0.18 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1qsb h SER 117 Cb 0.39 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1qsb h SER 117 CO 0.01 0.81 0.25 -0.07 -1.14 0.00 0.00 176.83 176.69 1qsb h LEU 118 N 0.45 0.44 -0.91 5.07 3.38 -1.00 0.14 115.31 122.88 1qsb h LEU 118 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1qsb h LEU 118 Cb 0.75 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1qsb h LEU 118 CO 0.06 0.33 0.50 -0.09 0.09 0.00 0.00 178.44 179.33 1qsb h ARG 119 N 0.51 1.26 -0.18 1.13 2.43 -1.21 -0.31 114.38 118.01 1qsb h ARG 119 Ca 0.14 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1qsb h ARG 119 Cb -0.05 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1qsb h ARG 119 CO -0.03 0.92 -0.45 0.52 -1.51 0.00 0.00 179.97 179.42 1qsb h MET 120 N 1.27 0.45 -0.18 0.20 2.86 -0.68 -1.12 114.93 117.73 1qsb h MET 120 Ca 0.32 -0.24 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 1qsb h MET 120 Cb 0.02 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1qsb h MET 120 CO -0.05 0.81 -0.58 -0.07 1.06 0.00 0.00 176.91 178.08 1qsb h LEU 121 N 0.36 0.64 -1.62 1.22 3.38 -0.06 -2.01 115.31 117.22 1qsb h LEU 121 Ca 0.03 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1qsb h LEU 121 Cb 0.93 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1qsb h LEU 121 CO 0.08 1.08 0.06 -0.61 0.09 0.00 0.00 178.44 179.14 1qsb h GLN 122 N 0.43 0.30 -0.00 1.13 4.15 -0.66 -0.46 115.11 120.00 1qsb h GLN 122 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1qsb h GLN 122 Cb 1.14 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1qsb h GLN 122 CO 0.11 0.28 -0.09 1.04 -1.93 0.00 0.00 178.83 178.24 1qsb n GLN 123 N -4.42 0.46 -2.29 1.69 6.02 -0.46 -4.90 117.38 113.49 1qsb n GLN 123 Ca 0.00 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 56.78 1qsb n GLN 123 Cb 0.14 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1qsb n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qsb n LYS 124 N -1.17 -1.16 -3.08 -1.09 5.02 -0.18 -4.95 118.16 111.55 1qsb n LYS 124 Ca 0.13 0.48 -0.44 0.00 -2.02 0.00 0.00 58.31 56.45 1qsb n LYS 124 Cb 0.28 -4.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.79 1qsb n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qsb n ARG 125 N -2.05 3.69 -0.00 1.97 1.74 -0.81 -4.89 116.66 116.30 1qsb n ARG 125 Ca -0.10 -4.24 -0.10 0.00 -0.77 0.00 0.00 57.85 52.64 1qsb n ARG 125 Cb 0.58 -2.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.27 1qsb n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1qsb h TRP 126 N 6.44 -0.04 -0.16 -1.55 4.06 -1.91 -0.96 115.95 121.84 1qsb h TRP 126 Ca 0.24 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 61.08 1qsb h TRP 126 Cb 0.80 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 1qsb h TRP 126 CO 0.94 -0.04 -0.39 -0.44 -3.56 0.00 0.00 178.44 174.95 1qsb h ASP 127 N 0.01 0.37 -0.42 -3.49 5.19 -1.90 -1.72 116.42 114.47 1qsb h ASP 127 Ca 0.05 -0.16 -0.12 0.00 -0.62 0.00 0.00 57.03 56.18 1qsb h ASP 127 Cb 0.07 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1qsb h ASP 127 CO -0.10 0.73 -0.22 -0.33 -3.12 0.00 0.00 179.24 176.20 1qsb h GLU 128 N 0.30 0.89 -0.74 3.56 5.08 -1.93 -2.18 114.58 119.56 1qsb h GLU 128 Ca 0.03 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1qsb h GLU 128 Cb 0.83 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1qsb h GLU 128 CO 0.07 1.05 0.24 0.00 -1.00 0.00 0.00 179.01 179.36 1qsb h ALA 129 N 0.82 1.02 -0.84 3.43 0.00 -1.01 -2.07 119.26 120.61 1qsb h ALA 129 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1qsb h ALA 129 Cb 0.79 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1qsb h ALA 129 CO 0.07 0.66 0.55 0.00 0.00 0.00 0.00 179.25 180.52 1qsb h ALA 130 N 1.16 1.07 -0.39 0.00 0.00 -1.09 0.33 119.26 120.34 1qsb h ALA 130 Ca 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1qsb h ALA 130 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1qsb h ALA 130 CO -0.01 0.49 -0.13 0.28 0.00 0.00 0.00 179.25 179.88 1qsb h VAL 131 N 1.15 1.28 -0.31 0.00 2.07 -1.18 -2.82 116.25 116.44 1qsb h VAL 131 Ca 0.31 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 1qsb h VAL 131 Cb -0.11 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1qsb h VAL 131 CO -0.06 0.42 -0.33 -1.13 0.02 0.00 0.00 177.57 176.48 1qsb h ASN 132 N 0.59 0.70 0.23 0.57 -0.73 -0.77 -2.74 115.58 113.43 1qsb h ASN 132 Ca 0.09 -0.29 -0.04 0.00 1.87 0.00 0.00 56.30 57.94 1qsb h ASN 132 Cb 0.67 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1qsb h ASN 132 CO 0.05 0.97 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.84 1qsb h LEU 133 N 0.57 0.00 -0.45 0.34 3.38 -0.29 -1.96 115.31 116.90 1qsb h LEU 133 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qsb h LEU 133 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1qsb h LEU 133 CO 0.07 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1qsb n ALA 134 N -2.44 1.89 -2.54 1.53 0.00 -1.04 -3.93 120.51 113.99 1qsb n ALA 134 Ca -0.02 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1qsb n ALA 134 Cb 0.25 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.28 1qsb n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qsb n LYS 135 N -2.25 3.84 -3.67 0.00 5.02 -0.74 -4.70 118.16 115.66 1qsb n LYS 135 Ca 0.03 -3.82 -0.12 0.00 -2.02 0.00 0.00 58.31 52.39 1qsb n LYS 135 Cb 0.30 -2.82 -0.06 0.00 -0.02 0.00 0.00 35.03 32.44 1qsb n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qsb s SER 136 N 0.23 -0.23 0.31 4.39 1.04 -1.25 -5.02 113.70 113.17 1qsb s SER 136 Ca 0.37 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1qsb s SER 136 Cb 0.08 0.43 0.49 0.00 0.10 0.00 0.00 66.02 67.12 1qsb s SER 136 CO 0.03 -0.73 1.95 -0.09 0.98 0.00 0.00 173.24 175.38 1qsb h ARG 137 N 2.79 0.95 -0.54 4.02 2.43 -1.92 -2.47 114.38 119.64 1qsb h ARG 137 Ca -0.32 -0.09 0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1qsb h ARG 137 Cb 1.22 -0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 30.48 1qsb h ARG 137 CO 0.46 0.68 -0.00 2.35 -1.51 0.00 0.00 179.97 181.94 1qsb h TRP 138 N 0.96 -0.04 -0.47 2.20 7.01 -1.95 0.44 115.95 124.11 1qsb h TRP 138 Ca 0.25 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.23 1qsb h TRP 138 Cb -0.02 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1qsb h TRP 138 CO 0.00 -0.13 0.05 -0.92 -2.79 0.00 0.00 178.44 174.65 1qsb h TYR 139 N 0.12 0.86 -0.02 2.65 3.20 -1.75 -0.60 116.97 121.43 1qsb h TYR 139 Ca 0.28 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 1qsb h TYR 139 Cb 0.43 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1qsb h TYR 139 CO -0.33 0.81 -0.60 -0.91 -1.64 0.00 0.00 178.16 175.48 1qsb h ASN 140 N 0.66 0.09 0.18 -2.11 4.21 -0.91 -2.23 115.58 115.47 1qsb h ASN 140 Ca 0.14 -0.05 -0.30 0.00 1.21 0.00 0.00 56.30 57.30 1qsb h ASN 140 Cb 0.44 -0.03 0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1qsb h ASN 140 CO 0.02 0.67 -1.41 1.56 -1.29 0.00 0.00 177.43 176.97 1qsb h GLN 141 N 0.06 0.39 -2.38 0.81 1.08 -0.02 -3.39 115.11 111.66 1qsb h GLN 141 Ca -0.01 -0.66 -0.60 0.00 -1.45 0.00 0.00 58.65 55.94 1qsb h GLN 141 Cb 1.08 0.25 -0.41 0.00 -0.05 0.00 0.00 27.48 28.35 1qsb h GLN 141 CO 0.08 1.32 -0.73 0.25 -0.95 0.00 0.00 178.83 178.80 1qsb n THR 142 N -3.81 1.20 -0.32 -0.54 -2.24 -0.24 -4.97 114.28 103.37 1qsb n THR 142 Ca -0.20 -4.71 -0.04 0.00 -2.27 0.00 0.00 64.05 56.82 1qsb n THR 142 Cb 1.00 -2.05 0.08 0.00 -2.10 0.00 0.00 70.33 67.26 1qsb n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qsb h PRO 143 N 4.57 1.20 -0.38 -0.78 0.13 -1.58 -1.38 132.00 133.78 1qsb h PRO 143 Ca 0.17 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1qsb h PRO 143 Cb 0.75 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1qsb h PRO 143 CO 0.68 0.89 0.18 -0.91 -0.23 0.00 0.00 178.00 178.62 1qsb h ASN 144 N 1.20 0.50 -0.19 1.44 2.35 -1.93 0.21 115.58 119.16 1qsb h ASN 144 Ca 0.30 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1qsb h ASN 144 Cb 0.05 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1qsb h ASN 144 CO -0.05 0.50 -0.13 -0.09 -1.65 0.00 0.00 177.43 176.02 1qsb h ARG 145 N 0.47 0.42 -0.87 0.81 2.43 -1.96 -2.27 114.38 113.41 1qsb h ARG 145 Ca 0.13 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1qsb h ARG 145 Cb 0.13 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1qsb h ARG 145 CO -0.02 0.74 0.56 0.00 -1.51 0.00 0.00 179.97 179.75 1qsb h ALA 146 N 0.67 1.34 -0.82 2.80 0.00 -1.09 -1.63 119.26 120.53 1qsb h ALA 146 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1qsb h ALA 146 Cb 0.63 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1qsb h ALA 146 CO 0.03 0.60 0.45 0.87 0.00 0.00 0.00 179.25 181.20 1qsb h LYS 147 N 1.19 1.15 -0.47 0.00 1.57 -0.44 -0.36 116.57 119.21 1qsb h LYS 147 Ca 0.32 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1qsb h LYS 147 Cb -0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 1qsb h LYS 147 CO -0.07 0.85 0.19 0.00 -0.57 0.00 0.00 179.45 179.85 1qsb h ARG 148 N 1.15 0.70 -0.47 3.15 3.08 -0.72 -1.18 114.38 120.08 1qsb h ARG 148 Ca 0.29 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1qsb h ARG 148 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1qsb h ARG 148 CO -0.05 0.63 -0.01 0.28 -1.07 0.00 0.00 179.97 179.76 1qsb h VAL 149 N 0.61 1.26 -0.54 2.04 2.07 -0.98 -2.36 116.25 118.35 1qsb h VAL 149 Ca 0.16 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1qsb h VAL 149 Cb 0.19 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1qsb h VAL 149 CO -0.01 0.37 0.28 0.40 0.02 0.00 0.00 177.57 178.62 1qsb h ILE 150 N 0.68 1.19 -0.19 4.57 2.04 -0.96 0.89 117.51 125.74 1qsb h ILE 150 Ca 0.13 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1qsb h ILE 150 Cb 0.51 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1qsb h ILE 150 CO 0.03 0.21 -0.13 0.74 0.00 0.00 0.00 178.15 179.00 1qsb h THR 151 N 0.72 1.19 -0.15 -0.27 2.02 -1.16 0.61 112.91 115.88 1qsb h THR 151 Ca 0.19 -0.85 -0.21 0.00 0.77 0.00 0.00 66.41 66.31 1qsb h THR 151 Cb 0.08 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1qsb h THR 151 CO -0.03 0.27 -0.73 0.74 0.37 0.00 0.00 175.52 176.14 1qsb h THR 152 N 0.29 1.30 -0.13 3.16 2.02 -0.89 0.06 112.91 118.72 1qsb h THR 152 Ca 0.06 -1.98 -0.11 0.00 0.77 0.00 0.00 66.41 65.14 1qsb h THR 152 Cb 0.41 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1qsb h THR 152 CO 0.02 0.62 -0.41 -0.26 0.37 0.00 0.00 175.52 175.86 1qsb h PHE 153 N 0.48 0.35 -0.34 3.16 0.05 -0.12 -0.74 116.94 119.79 1qsb h PHE 153 Ca -0.04 -0.10 -0.16 0.00 3.82 0.00 0.00 57.97 61.50 1qsb h PHE 153 Cb 1.34 -0.08 -0.00 0.00 2.00 0.00 0.00 35.95 39.21 1qsb h PHE 153 CO 0.07 0.67 -0.41 -0.09 -0.18 0.00 0.00 178.31 178.37 1qsb h ARG 154 N 0.25 0.87 0.00 1.51 2.43 -0.62 -3.36 114.38 115.46 1qsb h ARG 154 Ca 0.02 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1qsb h ARG 154 Cb 0.84 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1qsb h ARG 154 CO 0.07 1.13 -1.69 0.25 -1.51 0.00 0.00 179.97 178.22 1qsb n THR 155 N -4.10 0.00 -1.16 0.20 -2.24 -0.02 -4.84 114.28 102.13 1qsb n THR 155 Ca -0.03 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1qsb n THR 155 Cb 0.55 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1qsb n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qsb n GLY 156 N 1.39 0.73 3.61 3.38 0.00 -0.29 -5.00 105.19 109.02 1qsb n GLY 156 Ca -0.02 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1qsb n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qsb s THR 157 N -1.96 1.24 -0.48 2.61 -4.23 -1.26 -4.82 115.64 106.75 1qsb s THR 157 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1qsb s THR 157 Cb 0.00 -2.53 0.75 0.00 1.34 0.00 0.00 72.50 72.06 1qsb s THR 157 CO 0.00 0.00 1.65 0.79 -0.54 0.00 0.00 174.62 176.52 1qsb n TRP 158 N -1.00 1.84 -0.35 3.99 7.02 -1.26 -4.69 117.44 122.99 1qsb n TRP 158 Ca -0.10 -0.65 0.12 0.00 -1.02 0.00 0.00 57.50 55.86 1qsb n TRP 158 Cb 0.66 -0.43 0.31 0.00 -2.42 0.00 0.00 31.31 29.43 1qsb n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1qsb h ASP 159 N 3.75 0.76 0.51 -0.99 3.32 -1.96 -0.60 116.42 121.21 1qsb h ASP 159 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qsb h ASP 159 Cb 1.78 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1qsb h ASP 159 CO 0.41 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 1qsb n ALA 160 N -2.34 1.47 -0.63 3.45 0.00 -1.26 -0.96 120.51 120.23 1qsb n ALA 160 Ca 0.23 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.89 1qsb n ALA 160 Cb 0.56 -1.37 0.37 0.00 0.00 0.00 0.00 19.45 19.01 1qsb n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qsb n TYR 161 N -2.27 1.52 -0.82 0.00 4.02 -0.23 -4.99 117.16 114.39 1qsb n TYR 161 Ca 0.01 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1qsb n TYR 161 Cb 0.17 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 1qsb n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48