#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtn s ARG 2 N 0.00 4.54 -0.19 0.03 1.70 -0.96 -4.82 118.95 119.25 2qtn s ARG 2 Ca 0.00 1.31 -0.29 0.00 -0.47 0.00 0.00 55.73 56.29 2qtn s ARG 2 Cb 0.00 -3.45 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 2qtn s ARG 2 CO 0.00 -0.00 1.00 0.15 -1.08 0.00 0.00 175.30 175.37 2qtn s LYS 3 N 0.88 4.30 -0.01 3.89 1.02 -1.26 -2.17 119.74 126.39 2qtn s LYS 3 Ca 0.49 1.32 0.06 0.00 0.02 0.00 0.00 55.97 57.85 2qtn s LYS 3 Cb -0.21 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 2qtn s LYS 3 CO 0.26 -0.52 -0.18 0.42 -0.92 0.00 0.00 175.35 174.42 2qtn s ILE 4 N 2.78 1.40 0.11 2.17 1.01 -1.04 -1.99 121.20 125.63 2qtn s ILE 4 Ca 0.44 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2qtn s ILE 4 Cb -0.16 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2qtn s ILE 4 CO 0.10 0.37 0.28 -0.83 0.00 0.00 0.00 174.94 174.86 2qtn s GLY 5 N -0.47 2.07 -0.03 6.18 0.00 -0.84 0.19 107.32 114.40 2qtn s GLY 5 Ca 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.98 2qtn s GLY 5 CO -0.01 -0.78 -0.04 -0.42 0.00 0.00 0.00 173.10 171.85 2qtn s ILE 6 N -1.63 0.49 -0.12 0.90 -1.09 -0.71 -0.36 121.20 118.69 2qtn s ILE 6 Ca 0.37 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.66 2qtn s ILE 6 Cb -0.12 -0.50 0.02 0.00 -1.58 0.00 0.00 42.46 40.27 2qtn s ILE 6 CO 0.28 0.20 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.43 2qtn s ILE 7 N 0.68 1.39 0.25 2.92 1.01 -0.40 -1.41 121.20 125.64 2qtn s ILE 7 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2qtn s ILE 7 Cb -0.12 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2qtn s ILE 7 CO 0.00 0.43 0.26 -0.83 0.00 0.00 0.00 174.94 174.79 2qtn s GLY 8 N 1.33 1.34 0.00 6.18 0.00 -1.26 -0.43 107.32 114.48 2qtn s GLY 8 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2qtn s GLY 8 CO -0.06 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.26 2qtn n GLY 9 N -1.27 0.89 0.17 0.20 0.00 -1.04 -4.95 105.19 99.19 2qtn n GLY 9 Ca -0.08 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 2qtn n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtn h THR 10 N 2.14 1.38 -6.00 2.61 1.35 -1.91 -0.42 112.91 112.04 2qtn h THR 10 Ca 0.00 -2.35 -0.42 0.00 -0.55 0.00 0.00 66.41 63.09 2qtn h THR 10 Cb 0.00 2.34 0.08 0.00 -1.73 0.00 0.00 68.15 68.84 2qtn h THR 10 CO 0.00 0.71 -0.73 0.49 -0.25 0.00 0.00 175.52 175.74 2qtn n PHE 11 N -3.78 -2.55 -3.42 4.73 3.01 -1.26 -4.63 117.46 109.56 2qtn n PHE 11 Ca -0.07 0.96 -0.26 0.00 1.01 0.00 0.00 57.45 59.09 2qtn n PHE 11 Cb 0.82 -4.64 -0.08 0.00 -0.01 0.00 0.00 39.48 35.57 2qtn n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2qtn n ASP 12 N -2.97 2.66 -4.97 4.37 2.03 -1.26 -2.77 116.55 113.63 2qtn n ASP 12 Ca -0.03 -3.20 -0.21 0.00 0.52 0.00 0.00 54.79 51.87 2qtn n ASP 12 Cb 0.57 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 2qtn n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qtn s PRO 13 N -1.95 3.04 0.66 -0.67 0.04 -1.26 -4.66 135.00 130.19 2qtn s PRO 13 Ca 0.37 -0.79 -0.14 0.00 0.04 0.00 0.00 61.00 60.48 2qtn s PRO 13 Cb 0.13 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 2qtn s PRO 13 CO -0.06 -0.15 1.07 -1.25 0.04 0.00 0.00 177.00 176.66 2qtn s PRO 14 N -4.38 2.97 0.10 0.56 0.04 -1.11 -4.54 135.00 128.63 2qtn s PRO 14 Ca 0.48 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2qtn s PRO 14 Cb -0.10 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2qtn s PRO 14 CO 0.34 -1.09 0.15 -2.39 0.04 0.00 0.00 177.00 174.06 2qtn n HIS 15 N -2.58 -0.85 0.30 0.56 1.44 -1.26 -4.83 115.22 107.99 2qtn n HIS 15 Ca 0.09 -0.60 0.16 0.00 -2.01 0.00 0.00 57.72 55.36 2qtn n HIS 15 Cb 0.53 0.17 0.66 0.00 0.12 0.00 0.00 29.99 31.46 2qtn n HIS 15 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 2qtn h TYR 16 N 1.27 0.00 -0.62 -1.40 0.99 -1.40 -2.60 116.97 113.21 2qtn h TYR 16 Ca -0.08 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 2qtn h TYR 16 Cb 0.32 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.03 2qtn h TYR 16 CO 0.00 0.00 0.18 0.78 -0.00 0.00 0.00 178.16 179.12 2qtn h GLY 17 N 2.09 1.04 0.95 3.88 0.00 -1.83 -1.80 103.07 107.40 2qtn h GLY 17 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 2qtn h GLY 17 CO 0.00 0.58 0.14 0.45 0.00 0.00 0.00 176.54 177.72 2qtn h HIS 18 N 0.89 0.67 -0.17 5.60 3.86 -1.82 -2.44 115.15 121.74 2qtn h HIS 18 Ca 0.20 -0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.15 2qtn h HIS 18 Cb 0.31 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.59 2qtn h HIS 18 CO 0.02 0.61 -0.65 -0.07 0.86 0.00 0.00 177.93 178.70 2qtn h LEU 19 N 0.54 0.87 0.08 2.43 4.07 -1.54 -2.25 115.31 119.52 2qtn h LEU 19 Ca 0.14 -0.61 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 2qtn h LEU 19 Cb 0.24 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.73 2qtn h LEU 19 CO -0.01 1.33 -0.04 0.25 -1.08 0.00 0.00 178.44 178.90 2qtn h LEU 20 N 0.46 -0.10 -0.53 1.67 7.12 -1.32 -1.53 115.31 121.09 2qtn h LEU 20 Ca -0.03 -0.04 0.02 0.00 0.13 0.00 0.00 57.88 57.96 2qtn h LEU 20 Cb 1.28 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.40 2qtn h LEU 20 CO 0.14 -0.03 0.32 0.40 -0.13 0.00 0.00 178.44 179.14 2qtn h ILE 21 N -0.16 1.06 0.59 4.05 2.04 -1.48 0.38 117.51 123.99 2qtn h ILE 21 Ca -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2qtn h ILE 21 Cb 0.13 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2qtn h ILE 21 CO 0.02 0.12 -0.42 0.00 0.00 0.00 0.00 178.15 177.87 2qtn h ALA 22 N 1.23 -1.02 -0.50 1.87 0.00 -1.22 -1.24 119.26 118.38 2qtn h ALA 22 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qtn h ALA 22 Cb 0.02 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2qtn h ALA 22 CO -0.09 -1.10 0.23 -0.97 0.00 0.00 0.00 179.25 177.32 2qtn h ASN 23 N -0.97 0.30 -0.69 0.00 -1.24 -1.14 0.37 115.58 112.21 2qtn h ASN 23 Ca -0.07 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.02 2qtn h ASN 23 Cb 0.81 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 2qtn h ASN 23 CO 0.03 0.21 0.42 -0.33 -1.29 0.00 0.00 177.43 176.48 2qtn h GLU 24 N 0.44 0.79 0.14 6.67 4.39 -0.71 -2.00 114.58 124.30 2qtn h GLU 24 Ca 0.23 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.57 2qtn h GLU 24 Cb 0.17 -0.18 0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2qtn h GLU 24 CO -0.18 0.52 -1.28 0.28 -1.16 0.00 0.00 179.01 177.19 2qtn h VAL 25 N 0.81 1.29 -0.61 3.13 2.07 -0.93 -0.21 116.25 121.80 2qtn h VAL 25 Ca 0.29 -2.51 0.13 0.00 0.82 0.00 0.00 66.70 65.42 2qtn h VAL 25 Cb 0.07 2.75 -0.11 0.00 -1.52 0.00 0.00 31.29 32.47 2qtn h VAL 25 CO -0.13 0.76 -0.05 0.22 0.02 0.00 0.00 177.57 178.40 2qtn h TYR 26 N 0.26 -0.13 0.16 1.57 3.20 -0.15 -1.28 116.97 120.60 2qtn h TYR 26 Ca -0.20 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2qtn h TYR 26 Cb 1.95 0.15 0.00 0.00 1.54 0.00 0.00 36.73 40.38 2qtn h TYR 26 CO 0.11 -0.20 -0.08 0.45 -1.64 0.00 0.00 178.16 176.81 2qtn h HIS 27 N 0.07 -0.20 -0.99 -3.82 3.86 -1.38 0.28 115.15 112.98 2qtn h HIS 27 Ca 0.31 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.75 2qtn h HIS 27 Cb 0.50 0.07 -0.12 0.00 1.06 0.00 0.00 27.41 28.92 2qtn h HIS 27 CO -0.41 0.19 0.57 0.00 0.86 0.00 0.00 177.93 179.15 2qtn h ALA 28 N -0.50 1.71 -0.44 2.45 0.00 -0.81 -1.13 119.26 120.55 2qtn h ALA 28 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qtn h ALA 28 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qtn h ALA 28 CO 0.04 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2qtn n LEU 29 N -4.87 3.39 -3.56 0.00 4.77 -0.50 -5.01 117.00 111.22 2qtn n LEU 29 Ca 0.25 -2.15 -0.23 0.00 -0.03 0.00 0.00 56.01 53.85 2qtn n LEU 29 Cb 0.69 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2qtn n LEU 29 CO 0.17 0.78 -0.14 0.59 -1.33 0.00 0.00 177.39 177.46 2qtn n ASN 30 N 0.67 -5.65 -4.95 -1.43 3.02 -0.43 -4.98 115.26 101.52 2qtn n ASN 30 Ca 0.16 -0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 2qtn n ASN 30 Cb 0.56 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.24 2qtn n ASN 30 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qtn s LEU 31 N -4.10 3.99 0.03 3.41 1.43 0.03 -4.86 118.68 118.60 2qtn s LEU 31 Ca 0.10 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2qtn s LEU 31 Cb -0.01 -3.26 -0.27 0.00 0.03 0.00 0.00 46.19 42.68 2qtn s LEU 31 CO 0.86 -0.33 0.96 -0.33 0.23 0.00 0.00 176.35 177.74 2qtn h GLU 32 N 0.74 0.20 -3.22 1.70 5.08 -1.73 -3.47 114.58 113.87 2qtn h GLU 32 Ca -0.49 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 2qtn h GLU 32 Cb 1.22 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 2qtn h GLU 32 CO 0.61 1.07 0.13 -1.21 -1.00 0.00 0.00 179.01 178.61 2qtn s GLU 33 N -2.64 1.82 -0.03 2.33 2.02 -1.26 -4.86 118.70 116.08 2qtn s GLU 33 Ca -0.06 -1.18 0.02 0.00 0.02 0.00 0.00 54.97 53.76 2qtn s GLU 33 Cb 0.07 0.57 0.01 0.00 0.10 0.00 0.00 34.13 34.88 2qtn s GLU 33 CO 0.85 -0.82 -0.07 0.08 0.02 0.00 0.00 175.26 175.33 2qtn s VAL 34 N -3.59 0.66 -0.08 2.63 1.01 -0.38 -1.99 120.40 118.65 2qtn s VAL 34 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2qtn s VAL 34 Cb -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2qtn s VAL 34 CO 0.09 0.23 -0.11 0.26 0.00 0.00 0.00 175.10 175.57 2qtn s TRP 35 N 0.48 2.82 -0.38 5.22 0.51 0.51 -1.94 118.94 126.16 2qtn s TRP 35 Ca -0.07 -0.23 -0.15 0.00 -2.12 0.00 0.00 56.10 53.53 2qtn s TRP 35 Cb -0.11 -1.73 0.01 0.00 -0.81 0.00 0.00 33.47 30.83 2qtn s TRP 35 CO 0.01 0.12 0.34 -0.06 -0.51 0.00 0.00 176.95 176.85 2qtn s PHE 36 N -0.42 3.21 -0.57 -1.98 0.40 0.28 -1.28 117.98 117.63 2qtn s PHE 36 Ca 0.05 -0.31 -0.16 0.00 -0.60 0.00 0.00 56.93 55.91 2qtn s PHE 36 Cb -0.12 -2.68 0.13 0.00 0.51 0.00 0.00 43.02 40.86 2qtn s PHE 36 CO 0.02 -0.54 0.56 -1.17 0.70 0.00 0.00 175.22 174.79 2qtn s LEU 37 N 1.91 6.07 0.35 -0.37 0.20 0.43 -1.36 118.68 125.91 2qtn s LEU 37 Ca 0.09 -1.78 -0.23 0.00 0.69 0.00 0.00 54.13 52.89 2qtn s LEU 37 Cb -0.18 -2.23 -0.10 0.00 -0.43 0.00 0.00 46.19 43.26 2qtn s LEU 37 CO 0.12 -0.89 0.92 -2.16 -0.29 0.00 0.00 176.35 174.04 2qtn s PRO 38 N 1.71 4.41 0.51 0.98 0.04 -1.26 -2.51 135.00 138.89 2qtn s PRO 38 Ca 0.06 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2qtn s PRO 38 Cb -0.28 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 2qtn s PRO 38 CO 0.03 0.18 1.04 -0.80 0.04 0.00 0.00 177.00 177.49 2qtn s ASN 39 N -1.84 6.22 0.20 6.66 0.02 -0.17 -4.43 114.94 121.60 2qtn s ASN 39 Ca 0.54 1.90 -0.17 0.00 -1.02 0.00 0.00 52.86 54.11 2qtn s ASN 39 Cb -0.15 -2.55 -0.08 0.00 0.02 0.00 0.00 41.25 38.49 2qtn s ASN 39 CO 0.20 -0.86 0.65 -1.58 0.02 0.00 0.00 177.10 175.53 2qtn s GLN 40 N -3.43 4.13 0.26 -0.60 2.00 -1.26 -4.91 119.66 115.84 2qtn s GLN 40 Ca 0.66 0.70 -0.13 0.00 -2.00 0.00 0.00 55.36 54.60 2qtn s GLN 40 Cb -0.16 -2.88 -0.08 0.00 0.80 0.00 0.00 33.01 30.69 2qtn s GLN 40 CO 0.24 0.42 0.64 0.96 -0.50 0.00 0.00 175.29 177.04 2qtn s ILE 41 N -1.52 4.80 0.34 -2.34 -4.36 -1.26 -3.90 121.20 112.94 2qtn s ILE 41 Ca 0.41 0.76 -0.28 0.00 -0.26 0.00 0.00 60.65 61.28 2qtn s ILE 41 Cb -0.16 -3.65 -0.12 0.00 1.25 0.00 0.00 42.46 39.79 2qtn s ILE 41 CO 0.20 -0.06 1.37 -2.65 0.24 0.00 0.00 174.94 174.04 2qtn n PRO 42 N -0.06 2.28 -0.32 0.37 -0.02 -1.26 -4.45 135.00 131.55 2qtn n PRO 42 Ca 0.01 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 2qtn n PRO 42 Cb 0.53 -2.44 0.34 0.00 -0.02 0.00 0.00 33.50 31.91 2qtn n PRO 42 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qtn h PRO 43 N 2.98 0.42 -0.21 0.52 0.11 -1.96 -2.33 132.00 131.53 2qtn h PRO 43 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qtn h PRO 43 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qtn h PRO 43 CO 0.65 0.28 0.00 -2.39 -0.21 0.00 0.00 178.00 176.34 2qtn n HIS 44 N -5.01 0.00 -3.67 0.65 1.44 -1.26 -4.41 115.22 102.97 2qtn n HIS 44 Ca 0.24 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.68 2qtn n HIS 44 Cb 0.71 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.69 2qtn n HIS 44 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qtn n LYS 45 N -0.36 1.23 -2.78 -1.40 5.02 -0.88 -4.90 118.16 114.10 2qtn n LYS 45 Ca 0.00 -3.98 -0.03 0.00 -2.02 0.00 0.00 58.31 52.29 2qtn n LYS 45 Cb 0.05 -2.02 0.04 0.00 -0.02 0.00 0.00 35.03 33.08 2qtn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qtn n GLN 46 N 2.20 1.66 0.00 1.97 10.64 -1.26 -4.84 117.38 127.75 2qtn n GLN 46 Ca 0.24 -3.48 0.00 0.00 -1.83 0.00 0.00 57.00 51.94 2qtn n GLN 46 Cb 0.41 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 2qtn n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qtn n GLY 47 N -0.48 3.17 2.09 2.61 0.00 -1.26 -5.02 105.19 106.29 2qtn n GLY 47 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qtn n GLY 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qtn n ARG 48 N 0.00 0.00 -2.68 1.61 3.00 -1.26 -1.90 116.66 115.43 2qtn n ARG 48 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 2qtn n ARG 48 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 2qtn n ARG 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qtn n ASP 49 N 1.13 0.87 -4.45 6.15 4.64 -1.26 -5.08 116.55 118.54 2qtn n ASP 49 Ca 0.00 -2.61 -0.34 0.00 -1.38 0.00 0.00 54.79 50.46 2qtn n ASP 49 Cb 0.00 -0.26 -0.13 0.00 -1.04 0.00 0.00 41.12 39.69 2qtn n ASP 49 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2qtn s ILE 50 N -2.60 3.70 0.43 5.18 2.07 -0.80 -4.83 121.20 124.35 2qtn s ILE 50 Ca 0.26 -0.42 -0.25 0.00 -1.41 0.00 0.00 60.65 58.83 2qtn s ILE 50 Cb 0.44 -2.62 -0.10 0.00 0.13 0.00 0.00 42.46 40.31 2qtn s ILE 50 CO 0.01 0.49 1.15 0.41 -1.91 0.00 0.00 174.94 175.09 2qtn n THR 51 N 3.71 2.60 -2.40 4.00 -1.04 -1.26 -4.63 114.28 115.27 2qtn n THR 51 Ca -0.18 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.06 2qtn n THR 51 Cb 0.52 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.68 2qtn n THR 51 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qtn s SER 52 N -0.66 5.86 0.56 8.00 1.04 -1.26 -4.93 113.70 122.32 2qtn s SER 52 Ca 0.63 0.87 0.27 0.00 0.48 0.00 0.00 55.95 58.20 2qtn s SER 52 Cb -0.53 -1.97 1.66 0.00 0.10 0.00 0.00 66.02 65.29 2qtn s SER 52 CO 0.57 -0.90 2.20 1.62 0.98 0.00 0.00 173.24 177.71 2qtn h VAL 53 N -0.08 0.61 0.78 5.02 3.04 -1.97 -2.60 116.25 121.04 2qtn h VAL 53 Ca -0.46 -0.13 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 2qtn h VAL 53 Cb 1.23 1.08 0.01 0.00 -2.01 0.00 0.00 31.29 31.60 2qtn h VAL 53 CO 0.61 0.03 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.50 2qtn h GLU 54 N 0.00 -1.01 -0.68 4.17 5.08 -2.01 -2.54 114.58 117.60 2qtn h GLU 54 Ca -0.00 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2qtn h GLU 54 Cb 0.08 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2qtn h GLU 54 CO 0.00 -0.67 0.46 0.77 -1.00 0.00 0.00 179.01 178.58 2qtn h SER 55 N -1.13 0.31 -0.40 1.42 0.02 -1.85 -2.06 113.55 109.85 2qtn h SER 55 Ca -0.11 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2qtn h SER 55 Cb 0.80 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2qtn h SER 55 CO 0.18 0.16 -0.22 0.03 -1.14 0.00 0.00 176.83 175.84 2qtn h ARG 56 N 0.33 0.86 -0.38 3.45 3.08 -1.38 -2.76 114.38 117.58 2qtn h ARG 56 Ca 0.33 -0.39 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 2qtn h ARG 56 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2qtn h ARG 56 CO -0.09 1.03 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.41 2qtn h LEU 57 N 0.68 0.96 -0.62 3.04 3.38 -0.94 -0.70 115.31 121.10 2qtn h LEU 57 Ca 0.09 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2qtn h LEU 57 Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2qtn h LEU 57 CO 0.06 1.21 0.25 -0.61 0.09 0.00 0.00 178.44 179.44 2qtn h GLN 58 N 0.74 0.94 -0.54 1.13 5.75 -1.51 0.25 115.11 121.88 2qtn h GLN 58 Ca 0.07 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2qtn h GLN 58 Cb 0.95 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 2qtn h GLN 58 CO 0.09 0.80 0.29 0.52 -2.65 0.00 0.00 178.83 177.87 2qtn h MET 59 N 0.88 0.76 -0.02 1.69 2.86 -1.38 0.68 114.93 120.39 2qtn h MET 59 Ca 0.21 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2qtn h MET 59 Cb 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2qtn h MET 59 CO -0.02 0.59 -0.30 1.25 1.06 0.00 0.00 176.91 179.49 2qtn h LEU 60 N 0.72 0.03 -0.21 1.22 5.85 -0.75 -1.04 115.31 121.13 2qtn h LEU 60 Ca 0.19 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2qtn h LEU 60 Cb 0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2qtn h LEU 60 CO -0.03 0.33 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.99 2qtn h GLU 61 N 0.02 0.43 -0.02 1.25 4.39 0.74 -2.45 114.58 118.94 2qtn h GLU 61 Ca 0.00 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.55 2qtn h GLU 61 Cb 0.54 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2qtn h GLU 61 CO 0.04 0.70 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.35 2qtn h LEU 62 N 0.13 -0.50 -2.44 1.33 3.38 -0.55 -1.24 115.31 115.43 2qtn h LEU 62 Ca 0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qtn h LEU 62 Cb 0.56 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2qtn h LEU 62 CO 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.33 2qtn h ALA 63 N 0.68 1.00 0.00 1.53 0.00 -1.11 -3.30 119.26 118.06 2qtn h ALA 63 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qtn h ALA 63 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qtn h ALA 63 CO -0.18 0.00 -0.22 0.25 0.00 0.00 0.00 179.25 179.10 2qtn n THR 64 N -2.94 0.00 -0.08 0.00 -2.24 -0.92 -4.86 114.28 103.25 2qtn n THR 64 Ca -0.02 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 2qtn n THR 64 Cb 0.11 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 2qtn n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qtn n GLU 65 N -1.11 -0.08 0.00 -0.78 1.02 -0.51 -0.96 120.64 118.21 2qtn n GLU 65 Ca 0.00 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 2qtn n GLU 65 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2qtn n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtn n ALA 66 N -2.99 1.33 -3.99 0.62 0.00 -1.26 -4.24 120.51 109.97 2qtn n ALA 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2qtn n ALA 66 Cb 0.05 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 2qtn n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qtn s GLU 67 N -1.81 1.61 0.40 0.00 0.41 -0.13 -4.95 118.70 114.23 2qtn s GLU 67 Ca 0.00 -1.55 0.11 0.00 -0.41 0.00 0.00 54.97 53.12 2qtn s GLU 67 Cb 0.00 -2.93 0.84 0.00 -1.78 0.00 0.00 34.13 30.27 2qtn s GLU 67 CO 0.00 -0.81 1.93 1.49 -0.49 0.00 0.00 175.26 177.39 2qtn h GLU 68 N 7.74 0.16 -0.14 1.61 4.81 -1.82 -2.23 114.58 124.71 2qtn h GLU 68 Ca -0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2qtn h GLU 68 Cb 1.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2qtn h GLU 68 CO 0.49 0.32 0.00 -2.39 -0.73 0.00 0.00 179.01 176.70 2qtn n HIS 69 N -4.28 0.19 -4.48 0.92 1.44 -1.26 -4.75 115.22 102.99 2qtn n HIS 69 Ca -0.01 -0.09 -0.33 0.00 -2.01 0.00 0.00 57.72 55.28 2qtn n HIS 69 Cb 0.26 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.21 2qtn n HIS 69 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qtn s PHE 70 N -1.81 2.72 0.06 -1.40 2.99 -0.84 -1.24 117.98 118.45 2qtn s PHE 70 Ca 0.26 -1.39 -0.04 0.00 0.00 0.00 0.00 56.93 55.76 2qtn s PHE 70 Cb 0.13 -1.86 -0.02 0.00 0.00 0.00 0.00 43.02 41.27 2qtn s PHE 70 CO 0.20 -0.65 0.07 -1.54 -0.00 0.00 0.00 175.22 173.30 2qtn s SER 71 N 0.97 0.28 -0.07 1.36 1.04 -0.82 -4.82 113.70 111.64 2qtn s SER 71 Ca -0.03 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.42 2qtn s SER 71 Cb -0.15 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2qtn s SER 71 CO -0.05 -0.59 0.70 -0.63 0.98 0.00 0.00 173.24 173.65 2qtn s ILE 72 N -3.40 5.04 -0.19 -1.02 1.01 -1.26 -0.55 121.20 120.82 2qtn s ILE 72 Ca 0.02 1.45 -0.06 0.00 0.00 0.00 0.00 60.65 62.06 2qtn s ILE 72 Cb 0.04 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2qtn s ILE 72 CO -0.08 0.24 0.03 0.00 0.00 0.00 0.00 174.94 175.13 2qtn n LEU 74 N 3.98 3.67 -0.29 0.00 4.77 -1.26 -3.98 117.00 123.89 2qtn n LEU 74 Ca -0.17 -2.07 0.12 0.00 -0.03 0.00 0.00 56.01 53.87 2qtn n LEU 74 Cb 0.52 -0.41 0.28 0.00 -2.33 0.00 0.00 43.42 41.48 2qtn n LEU 74 CO 0.33 0.88 0.98 -0.08 -1.33 0.00 0.00 177.39 178.16 2qtn h GLU 75 N 3.42 0.27 0.00 3.23 4.57 -1.94 0.51 114.58 124.64 2qtn h GLU 75 Ca 0.00 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2qtn h GLU 75 Cb 0.95 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2qtn h GLU 75 CO 0.03 0.18 -0.28 1.49 -1.18 0.00 0.00 179.01 179.24 2qtn h GLU 76 N 0.27 0.00 0.00 1.92 4.81 -1.83 -3.02 114.58 116.74 2qtn h GLU 76 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2qtn h GLU 76 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2qtn h GLU 76 CO -0.60 0.28 0.00 1.28 -0.73 0.00 0.00 179.01 179.25 2qtn n LEU 77 N -3.24 0.00 -1.07 1.64 4.77 0.14 -3.13 117.00 116.12 2qtn n LEU 77 Ca 0.02 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 2qtn n LEU 77 Cb 0.58 -0.30 0.17 0.00 -2.33 0.00 0.00 43.42 41.54 2qtn n LEU 77 CO 0.36 -0.02 0.53 -1.54 -1.33 0.00 0.00 177.39 175.39 2qtn n SER 78 N -1.30 2.96 -4.07 -1.43 3.41 -1.03 -4.81 113.62 107.36 2qtn n SER 78 Ca 0.13 -2.37 -0.19 0.00 -0.26 0.00 0.00 58.87 56.18 2qtn n SER 78 Cb 0.23 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 2qtn n SER 78 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qtn s ARG 79 N -1.75 0.80 0.57 4.33 0.52 -1.18 -5.04 118.95 117.20 2qtn s ARG 79 Ca 0.23 -0.49 0.30 0.00 -0.52 0.00 0.00 55.73 55.25 2qtn s ARG 79 Cb 0.18 -0.76 1.46 0.00 0.52 0.00 0.00 34.95 36.34 2qtn s ARG 79 CO 0.07 0.20 1.86 -0.22 0.02 0.00 0.00 175.30 177.23 2qtn h LYS 80 N 5.51 0.00 -4.07 3.54 1.63 -1.89 -3.44 116.57 117.86 2qtn h LYS 80 Ca -0.33 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.22 2qtn h LYS 80 Cb 1.18 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.73 2qtn h LYS 80 CO 0.47 0.00 -0.19 0.20 -3.45 0.00 0.00 179.45 176.49 2qtn s GLY 81 N -3.90 1.37 0.25 5.01 0.00 -1.26 -4.18 107.32 104.61 2qtn s GLY 81 Ca -0.05 -1.45 -0.29 0.00 0.00 0.00 0.00 44.72 42.93 2qtn s GLY 81 CO 0.66 -0.96 1.05 -1.05 0.00 0.00 0.00 173.10 172.79 2qtn n PRO 82 N -0.54 1.26 -3.97 2.90 -0.02 -1.25 -4.81 135.00 128.57 2qtn n PRO 82 Ca 0.00 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 2qtn n PRO 82 Cb 0.62 -1.84 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 2qtn n PRO 82 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qtn s SER 83 N -0.39 0.25 0.59 2.55 1.04 -1.26 -5.04 113.70 111.44 2qtn s SER 83 Ca 0.63 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.45 2qtn s SER 83 Cb -0.75 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 2qtn s SER 83 CO 0.57 -0.25 1.16 -0.31 0.98 0.00 0.00 173.24 175.39 2qtn s TYR 84 N -1.25 2.51 0.26 5.02 1.51 -1.26 -4.85 117.35 119.30 2qtn s TYR 84 Ca -0.13 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.45 2qtn s TYR 84 Cb -0.09 -3.36 0.50 0.00 -0.11 0.00 0.00 41.96 38.90 2qtn s TYR 84 CO -0.01 -1.91 1.80 1.15 -1.11 0.00 0.00 175.55 175.47 2qtn h THR 85 N 0.83 0.84 -0.42 -0.71 2.02 -1.99 -1.00 112.91 112.48 2qtn h THR 85 Ca -0.50 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 66.48 2qtn h THR 85 Cb 1.28 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2qtn h THR 85 CO 0.55 0.14 0.12 0.22 0.37 0.00 0.00 175.52 176.92 2qtn h TYR 86 N 0.78 0.20 -0.44 3.16 3.20 -1.92 0.37 116.97 122.33 2qtn h TYR 86 Ca 0.45 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.27 2qtn h TYR 86 Cb 0.52 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2qtn h TYR 86 CO -0.05 0.05 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.05 2qtn h ASP 87 N 0.26 0.70 0.04 -2.11 3.45 -1.60 -0.48 116.42 116.70 2qtn h ASP 87 Ca 0.20 -0.17 -0.22 0.00 0.43 0.00 0.00 57.03 57.27 2qtn h ASP 87 Cb 0.22 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 2qtn h ASP 87 CO -0.24 0.79 -0.81 0.74 -1.57 0.00 0.00 179.24 178.15 2qtn h THR 88 N 0.68 1.32 -0.05 0.35 2.02 -0.36 -2.87 112.91 114.00 2qtn h THR 88 Ca 0.13 -2.10 -0.17 0.00 0.77 0.00 0.00 66.41 65.04 2qtn h THR 88 Cb 0.46 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2qtn h THR 88 CO 0.02 0.65 -0.70 0.24 0.37 0.00 0.00 175.52 176.10 2qtn h MET 89 N 0.41 0.27 -0.84 6.66 2.86 -0.16 -1.68 114.93 122.45 2qtn h MET 89 Ca -0.06 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2qtn h MET 89 Cb 1.43 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.09 2qtn h MET 89 CO 0.16 0.86 0.43 1.25 1.06 0.00 0.00 176.91 180.67 2qtn h LEU 90 N 0.18 1.07 -0.46 1.22 6.46 -1.10 0.69 115.31 123.37 2qtn h LEU 90 Ca -0.02 -0.12 -0.16 0.00 -0.12 0.00 0.00 57.88 57.46 2qtn h LEU 90 Cb 1.25 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 2qtn h LEU 90 CO 0.11 0.88 -0.44 1.56 -0.62 0.00 0.00 178.44 179.93 2qtn h GLN 91 N 1.18 0.79 -0.05 1.25 7.50 -1.33 -2.94 115.11 121.52 2qtn h GLN 91 Ca 0.29 -0.44 -0.22 0.00 0.50 0.00 0.00 58.65 58.78 2qtn h GLN 91 Cb 0.07 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.63 2qtn h GLN 91 CO -0.04 1.07 -0.86 -0.07 -1.50 0.00 0.00 178.83 177.43 2qtn h LEU 92 N 0.64 0.61 -1.48 1.46 3.38 -0.78 -2.29 115.31 116.84 2qtn h LEU 92 Ca 0.04 -0.45 0.15 0.00 0.09 0.00 0.00 57.88 57.72 2qtn h LEU 92 Cb 1.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2qtn h LEU 92 CO 0.10 1.23 0.54 0.74 0.09 0.00 0.00 178.44 181.13 2qtn h THR 93 N 0.30 0.80 0.00 0.22 2.02 0.41 -0.18 112.91 116.48 2qtn h THR 93 Ca -0.07 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2qtn h THR 93 Cb 1.48 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2qtn h THR 93 CO 0.15 0.09 -0.01 0.11 0.37 0.00 0.00 175.52 176.23 2qtn h LYS 94 N 0.50 0.00 0.00 6.66 1.57 -1.33 -2.79 116.57 121.18 2qtn h LYS 94 Ca 0.40 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2qtn h LYS 94 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2qtn h LYS 94 CO -0.15 0.97 -0.01 0.87 -0.57 0.00 0.00 179.45 180.56 2qtn h LYS 95 N -1.00 0.00 -2.16 3.15 1.57 -1.12 -3.25 116.57 113.76 2qtn h LYS 95 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 2qtn h LYS 95 Cb 0.97 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.89 2qtn h LYS 95 CO -0.00 0.01 -1.00 0.66 -0.57 0.00 0.00 179.45 178.55 2qtn n TYR 96 N -3.91 0.08 0.38 -1.35 4.02 -0.10 -4.94 117.16 111.35 2qtn n TYR 96 Ca -0.03 -3.59 0.09 0.00 -0.01 0.00 0.00 57.90 54.35 2qtn n TYR 96 Cb 0.10 -0.23 0.37 0.00 -0.02 0.00 0.00 39.34 39.56 2qtn n TYR 96 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2qtn n PRO 97 N 1.73 0.09 -0.17 -0.72 -0.04 -1.05 -2.21 135.00 132.63 2qtn n PRO 97 Ca 0.24 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 2qtn n PRO 97 Cb 0.50 -1.68 0.15 0.00 -0.04 0.00 0.00 33.50 32.42 2qtn n PRO 97 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qtn n ASP 98 N -1.85 1.78 -4.29 3.54 5.75 -1.26 -4.88 116.55 115.34 2qtn n ASP 98 Ca 0.02 -2.00 -0.26 0.00 -0.01 0.00 0.00 54.79 52.54 2qtn n ASP 98 Cb 0.16 -0.22 -0.14 0.00 -1.03 0.00 0.00 41.12 39.89 2qtn n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qtn s VAL 99 N -1.56 1.81 -0.41 2.12 1.01 -0.94 -2.27 120.40 120.17 2qtn s VAL 99 Ca 0.22 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2qtn s VAL 99 Cb 0.12 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 35.02 2qtn s VAL 99 CO 0.15 0.19 0.14 0.00 0.00 0.00 0.00 175.10 175.58 2qtn s GLN 100 N -1.37 1.73 0.78 2.72 -2.07 -0.92 -4.95 119.66 115.59 2qtn s GLN 100 Ca 0.09 -2.08 -0.11 0.00 -1.82 0.00 0.00 55.36 51.43 2qtn s GLN 100 Cb -0.09 -3.32 0.07 0.00 -1.09 0.00 0.00 33.01 28.57 2qtn s GLN 100 CO 0.03 -1.01 1.12 -0.06 -1.32 0.00 0.00 175.29 174.04 2qtn s PHE 101 N 0.61 2.32 -0.34 9.60 0.40 -1.25 -2.50 117.98 126.81 2qtn s PHE 101 Ca 0.12 1.61 0.01 0.00 -0.60 0.00 0.00 56.93 58.07 2qtn s PHE 101 Cb -0.21 -3.17 0.11 0.00 0.51 0.00 0.00 43.02 40.25 2qtn s PHE 101 CO -0.05 -2.08 0.11 -1.01 0.70 0.00 0.00 175.22 172.88 2qtn s HIS 102 N -2.69 2.24 -0.21 0.36 3.76 0.49 -2.79 115.29 116.45 2qtn s HIS 102 Ca 0.64 -2.14 -0.29 0.00 -0.15 0.00 0.00 55.06 53.12 2qtn s HIS 102 Cb -0.20 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2qtn s HIS 102 CO 0.53 -0.88 1.33 0.12 -0.85 0.00 0.00 174.74 175.00 2qtn s PHE 103 N 1.26 2.67 -0.07 1.40 5.36 -0.90 -1.74 117.98 125.96 2qtn s PHE 103 Ca 0.11 0.87 -0.13 0.00 -0.96 0.00 0.00 56.93 56.82 2qtn s PHE 103 Cb -0.19 -3.72 -0.05 0.00 -0.34 0.00 0.00 43.02 38.72 2qtn s PHE 103 CO -0.18 -1.94 0.32 0.42 -1.46 0.00 0.00 175.22 172.38 2qtn s ILE 104 N 4.02 5.22 0.04 3.12 1.01 -0.50 -1.26 121.20 132.84 2qtn s ILE 104 Ca 0.58 0.62 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 2qtn s ILE 104 Cb -0.21 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2qtn s ILE 104 CO 0.20 0.54 0.07 0.27 0.00 0.00 0.00 174.94 176.03 2qtn s ILE 105 N -0.70 0.14 0.47 2.92 -4.36 -0.40 -4.64 121.20 114.62 2qtn s ILE 105 Ca 0.20 -1.12 -0.23 0.00 -0.26 0.00 0.00 60.65 59.24 2qtn s ILE 105 Cb -0.15 -0.87 -0.07 0.00 1.25 0.00 0.00 42.46 42.62 2qtn s ILE 105 CO 0.09 -0.62 1.20 -0.83 0.24 0.00 0.00 174.94 175.02 2qtn s GLY 106 N -2.10 2.80 0.44 6.27 0.00 -1.26 -1.37 107.32 112.09 2qtn s GLY 106 Ca -0.05 1.00 0.15 0.00 0.00 0.00 0.00 44.72 45.82 2qtn s GLY 106 CO -0.04 1.47 1.96 -1.33 0.00 0.00 0.00 173.10 175.16 2qtn h GLY 107 N 1.98 0.58 1.80 0.20 0.00 -1.22 -0.64 103.07 105.77 2qtn h GLY 107 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2qtn h GLY 107 CO 0.60 0.08 0.00 1.22 0.00 0.00 0.00 176.54 178.44 2qtn n ASP 108 N -4.47 0.00 -0.05 0.19 9.92 -1.26 -2.74 116.55 118.14 2qtn n ASP 108 Ca 0.11 0.29 -0.06 0.00 -0.53 0.00 0.00 54.79 54.60 2qtn n ASP 108 Cb 0.43 -0.40 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 2qtn n ASP 108 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2qtn n MET 109 N -1.40 0.66 -0.39 -1.24 1.56 -0.25 -4.34 117.12 111.72 2qtn n MET 109 Ca 0.06 0.09 0.31 0.00 -0.27 0.00 0.00 57.70 57.88 2qtn n MET 109 Cb 0.16 -1.64 0.58 0.00 2.15 0.00 0.00 33.22 34.48 2qtn n MET 109 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2qtn h VAL 110 N 0.00 0.25 -0.66 1.12 2.07 -1.52 0.13 116.25 117.63 2qtn h VAL 110 Ca -0.37 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.21 2qtn h VAL 110 Cb 1.96 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2qtn h VAL 110 CO 0.04 0.04 0.44 -0.08 0.02 0.00 0.00 177.57 178.03 2qtn h GLU 111 N 0.20 0.40 -0.02 1.57 4.81 -1.76 -2.62 114.58 117.15 2qtn h GLU 111 Ca 0.75 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 2qtn h GLU 111 Cb 2.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.43 2qtn h GLU 111 CO -0.43 0.26 -0.03 0.66 -0.73 0.00 0.00 179.01 178.74 2qtn n TYR 112 N -4.47 0.00 -0.35 0.92 4.02 0.46 -4.50 117.16 113.25 2qtn n TYR 112 Ca 0.12 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.27 2qtn n TYR 112 Cb 0.44 -0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.26 2qtn n TYR 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2qtn h LEU 113 N 3.38 0.46 -2.20 7.72 3.38 -1.53 0.15 115.31 126.68 2qtn h LEU 113 Ca 0.00 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2qtn h LEU 113 Cb 0.74 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2qtn h LEU 113 CO 0.00 -0.13 0.27 -0.65 0.09 0.00 0.00 178.44 178.02 2qtn h PRO 114 N 0.28 0.00 -0.01 1.13 0.11 -1.84 0.17 132.00 131.85 2qtn h PRO 114 Ca 0.74 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.85 2qtn h PRO 114 Cb 1.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.93 2qtn h PRO 114 CO -0.55 0.00 -0.20 1.63 -0.21 0.00 0.00 178.00 178.67 2qtn n LYS 115 N -3.39 1.22 -2.19 1.05 4.76 0.54 -4.91 118.16 115.25 2qtn n LYS 115 Ca 0.01 -0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 54.25 2qtn n LYS 115 Cb 0.37 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2qtn n LYS 115 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2qtn s TRP 116 N -2.33 3.17 0.05 2.13 0.52 0.05 -4.92 118.94 117.61 2qtn s TRP 116 Ca 0.27 1.42 -0.30 0.00 0.02 0.00 0.00 56.10 57.51 2qtn s TRP 116 Cb 0.20 -3.61 -0.08 0.00 -1.15 0.00 0.00 33.47 28.83 2qtn s TRP 116 CO 0.46 -1.67 1.75 -0.47 0.02 0.00 0.00 176.95 177.04 2qtn s TYR 117 N -0.93 2.08 -1.55 -1.98 6.14 -1.26 -1.61 117.35 118.24 2qtn s TYR 117 Ca 0.50 0.08 0.00 0.00 0.64 0.00 0.00 57.07 58.29 2qtn s TYR 117 Cb -0.38 -4.05 0.00 0.00 0.42 0.00 0.00 41.96 37.95 2qtn s TYR 117 CO 0.48 -4.38 0.00 0.09 0.64 0.00 0.00 175.55 172.38 2qtn n ASN 118 N 6.24 -5.04 -0.29 4.32 4.13 -1.26 -4.51 115.26 118.84 2qtn n ASN 118 Ca 0.17 0.09 0.12 0.00 1.68 0.00 0.00 54.58 56.64 2qtn n ASN 118 Cb 0.41 -4.11 0.28 0.00 -1.54 0.00 0.00 39.78 34.82 2qtn n ASN 118 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2qtn h ILE 119 N 0.00 0.40 0.72 2.41 6.09 -1.61 0.21 117.51 125.73 2qtn h ILE 119 Ca -0.39 -0.10 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 2qtn h ILE 119 Cb 1.26 0.09 0.01 0.00 0.47 0.00 0.00 36.82 38.64 2qtn h ILE 119 CO 0.49 0.05 -0.35 1.05 -3.07 0.00 0.00 178.15 176.32 2qtn h GLU 120 N 0.28 -0.93 -0.89 2.19 9.09 -1.89 0.15 114.58 122.58 2qtn h GLU 120 Ca 0.54 0.06 0.01 0.00 0.05 0.00 0.00 59.36 60.02 2qtn h GLU 120 Cb 1.05 0.21 -0.04 0.00 -1.65 0.00 0.00 28.75 28.32 2qtn h GLU 120 CO -0.59 -0.62 0.59 0.00 0.05 0.00 0.00 179.01 178.44 2qtn h ALA 121 N -0.69 1.37 -0.85 1.06 0.00 -1.79 -2.32 119.26 116.04 2qtn h ALA 121 Ca -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2qtn h ALA 121 Cb 0.74 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2qtn h ALA 121 CO 0.16 0.58 0.55 1.25 0.00 0.00 0.00 179.25 181.79 2qtn h LEU 122 N 1.20 0.90 -0.65 0.00 5.85 -0.38 -1.94 115.31 120.28 2qtn h LEU 122 Ca 0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2qtn h LEU 122 Cb -0.13 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.71 2qtn h LEU 122 CO -0.07 0.61 0.01 0.18 -0.34 0.00 0.00 178.44 178.83 2qtn n LEU 123 N -4.57 0.25 -0.67 2.25 4.77 0.02 -0.10 117.00 118.95 2qtn n LEU 123 Ca 0.11 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.78 2qtn n LEU 123 Cb 0.11 -0.64 0.10 0.00 -2.33 0.00 0.00 43.42 40.65 2qtn n LEU 123 CO 0.33 -0.70 0.54 0.47 -1.33 0.00 0.00 177.39 176.70 2qtn n ASP 124 N -1.84 2.51 -0.11 -1.43 8.00 -0.73 -4.38 116.55 118.56 2qtn n ASP 124 Ca -0.01 -1.72 -0.14 0.00 0.71 0.00 0.00 54.79 53.62 2qtn n ASP 124 Cb 0.03 -0.08 -0.12 0.00 -0.02 0.00 0.00 41.12 40.93 2qtn n ASP 124 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qtn n LEU 125 N 0.86 2.09 -4.47 0.64 4.77 0.85 -5.03 117.00 116.71 2qtn n LEU 125 Ca 0.11 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2qtn n LEU 125 Cb 0.41 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 2qtn n LEU 125 CO 0.10 0.78 -0.22 0.54 -1.33 0.00 0.00 177.39 177.25 2qtn s VAL 126 N -2.47 0.78 -0.18 4.08 0.11 -0.77 -4.69 120.40 117.26 2qtn s VAL 126 Ca -0.26 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 56.80 2qtn s VAL 126 Cb 0.08 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2qtn s VAL 126 CO 0.62 0.00 -0.19 0.28 -3.33 0.00 0.00 175.10 172.48 2qtn s THR 127 N -3.30 2.14 0.17 5.04 -1.32 -1.12 -4.67 115.64 112.58 2qtn s THR 127 Ca 0.29 -0.91 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 2qtn s THR 127 Cb 0.05 -1.90 -0.07 0.00 -1.51 0.00 0.00 72.50 69.07 2qtn s THR 127 CO 0.15 0.53 0.97 -0.36 -2.21 0.00 0.00 174.62 173.70 2qtn s PHE 128 N 1.28 3.85 -0.29 9.09 0.08 -1.26 -2.12 117.98 128.61 2qtn s PHE 128 Ca 0.05 1.82 0.03 0.00 0.12 0.00 0.00 56.93 58.95 2qtn s PHE 128 Cb -0.13 -3.06 0.08 0.00 -0.57 0.00 0.00 43.02 39.34 2qtn s PHE 128 CO -0.12 0.18 -0.03 0.08 -0.10 0.00 0.00 175.22 175.23 2qtn s VAL 129 N -0.50 2.08 -0.09 -0.44 1.01 -0.39 -1.09 120.40 120.98 2qtn s VAL 129 Ca 0.45 -1.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.35 2qtn s VAL 129 Cb -0.25 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2qtn s VAL 129 CO 0.32 -0.30 0.60 -0.83 0.00 0.00 0.00 175.10 174.89 2qtn s GLY 130 N 1.08 2.51 -0.13 4.51 0.00 0.29 -1.28 107.32 114.31 2qtn s GLY 130 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 44.72 44.61 2qtn s GLY 130 CO -0.07 1.01 0.20 0.54 0.00 0.00 0.00 173.10 174.78 2qtn s VAL 131 N 0.76 5.38 -0.02 1.40 0.11 -0.47 -1.70 120.40 125.87 2qtn s VAL 131 Ca 0.32 0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 59.68 2qtn s VAL 131 Cb -0.17 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2qtn s VAL 131 CO 0.15 0.54 0.11 0.00 -3.33 0.00 0.00 175.10 172.56 2qtn s ALA 132 N -0.48 -0.27 0.57 1.54 0.00 -0.40 -0.63 121.76 122.09 2qtn s ALA 132 Ca 0.15 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2qtn s ALA 132 Cb -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2qtn s ALA 132 CO 0.04 -0.13 1.19 1.03 0.00 0.00 0.00 175.76 177.90 2qtn s ARG 133 N -0.64 3.12 0.24 0.00 0.52 -1.25 -0.77 118.95 120.17 2qtn s ARG 133 Ca -0.07 1.79 -0.31 0.00 -0.52 0.00 0.00 55.73 56.61 2qtn s ARG 133 Cb -0.04 -1.99 -0.12 0.00 0.52 0.00 0.00 34.95 33.32 2qtn s ARG 133 CO 0.01 -1.07 1.69 -2.30 0.02 0.00 0.00 175.30 173.64 2qtn n PRO 134 N -1.42 2.77 0.00 3.54 -0.02 -1.26 -2.79 135.00 135.82 2qtn n PRO 134 Ca 0.13 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2qtn n PRO 134 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2qtn n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtn n GLY 135 N 3.39 2.68 3.66 -1.23 0.00 -1.26 -5.03 105.19 107.39 2qtn n GLY 135 Ca 0.14 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 2qtn n GLY 135 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qtn n TYR 136 N 0.00 2.01 -4.09 1.61 9.36 -1.12 -4.98 117.16 119.95 2qtn n TYR 136 Ca 0.00 0.50 -0.34 0.00 3.32 0.00 0.00 57.90 61.38 2qtn n TYR 136 Cb 0.00 -2.41 -0.07 0.00 -0.63 0.00 0.00 39.34 36.23 2qtn n TYR 136 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2qtn s LYS 137 N -0.73 3.16 -0.55 2.98 0.00 -1.26 -4.71 119.74 118.63 2qtn s LYS 137 Ca 0.66 -0.39 -0.19 0.00 0.00 0.00 0.00 55.97 56.05 2qtn s LYS 137 Cb -0.66 -2.93 0.08 0.00 0.00 0.00 0.00 37.83 34.31 2qtn s LYS 137 CO 0.53 0.68 0.68 -0.51 0.00 0.00 0.00 175.35 176.73 2qtn s LEU 138 N -1.47 5.11 -0.32 2.77 1.43 -1.26 -5.02 118.68 119.91 2qtn s LEU 138 Ca 0.20 -1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 51.91 2qtn s LEU 138 Cb -0.12 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.72 2qtn s LEU 138 CO 0.10 -1.01 0.91 -0.13 0.23 0.00 0.00 176.35 176.45 2qtn s ARG 139 N 2.73 3.98 -0.06 1.70 1.81 -1.26 -5.01 118.95 122.84 2qtn s ARG 139 Ca 0.14 0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 54.62 2qtn s ARG 139 Cb -0.21 -3.74 0.06 0.00 -0.45 0.00 0.00 34.95 30.61 2qtn s ARG 139 CO 0.09 -0.79 0.63 -0.08 -0.68 0.00 0.00 175.30 174.47 2qtn s THR 140 N 3.27 0.01 -0.67 0.02 -1.32 -1.26 -4.50 115.64 111.19 2qtn s THR 140 Ca 0.38 -0.06 0.26 0.00 -1.21 0.00 0.00 61.69 61.05 2qtn s THR 140 Cb -0.13 -0.94 0.29 0.00 -1.51 0.00 0.00 72.50 70.21 2qtn s THR 140 CO 0.14 -0.04 1.75 1.55 -2.21 0.00 0.00 174.62 175.82 2qtn h PRO 141 N 3.23 0.00 -6.34 7.08 0.13 -1.95 -3.47 132.00 130.69 2qtn h PRO 141 Ca -0.27 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 2qtn h PRO 141 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2qtn h PRO 141 CO 0.37 0.00 -0.23 0.71 -0.23 0.00 0.00 178.00 178.62 2qtn s TYR 142 N -3.14 3.47 -1.23 1.56 1.51 -1.26 -5.02 117.35 113.25 2qtn s TYR 142 Ca 0.10 0.55 -0.18 0.00 -1.01 0.00 0.00 57.07 56.53 2qtn s TYR 142 Cb 0.11 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2qtn s TYR 142 CO 0.59 0.29 1.99 -2.30 -1.11 0.00 0.00 175.55 175.01 2qtn n PRO 143 N -0.59 2.48 -4.43 -1.71 -0.02 -1.26 -4.95 135.00 124.52 2qtn n PRO 143 Ca -0.03 -2.61 -0.33 0.00 -2.02 0.00 0.00 63.50 58.51 2qtn n PRO 143 Cb 0.53 -3.33 -0.10 0.00 -0.02 0.00 0.00 33.50 30.58 2qtn n PRO 143 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qtn s ILE 144 N 4.99 3.97 0.04 4.25 1.01 -1.26 -4.80 121.20 129.41 2qtn s ILE 144 Ca 0.54 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 2qtn s ILE 144 Cb 0.09 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2qtn s ILE 144 CO 0.03 0.49 1.14 -0.89 0.00 0.00 0.00 174.94 175.72 2qtn s THR 145 N -0.95 4.25 -0.12 2.92 2.01 -0.25 -4.88 115.64 118.63 2qtn s THR 145 Ca 0.16 1.61 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 2qtn s THR 145 Cb -0.11 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2qtn s THR 145 CO 0.05 0.12 -0.11 0.42 -0.69 0.00 0.00 174.62 174.42 2qtn s THR 146 N 1.07 3.28 -0.11 -0.82 -4.23 -1.26 -0.54 115.64 113.02 2qtn s THR 146 Ca 0.57 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2qtn s THR 146 Cb -0.27 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2qtn s THR 146 CO 0.29 0.54 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.98 2qtn s VAL 147 N 0.06 2.09 -0.16 2.29 1.01 -0.69 -4.97 120.40 120.02 2qtn s VAL 147 Ca -0.04 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 2qtn s VAL 147 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2qtn s VAL 147 CO 0.04 0.56 0.88 -1.61 0.00 0.00 0.00 175.10 174.97 2qtn s GLU 148 N 0.46 4.32 0.04 2.72 2.02 -1.26 -1.28 118.70 125.72 2qtn s GLU 148 Ca -0.16 1.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.95 2qtn s GLU 148 Cb -0.17 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2qtn s GLU 148 CO 0.06 -0.36 -0.04 0.96 0.02 0.00 0.00 175.26 175.91 2qtn s ILE 149 N 2.23 0.25 -1.25 -1.63 -4.36 0.05 -4.93 121.20 111.57 2qtn s ILE 149 Ca 0.41 -1.44 -0.19 0.00 -0.26 0.00 0.00 60.65 59.17 2qtn s ILE 149 Cb -0.17 -1.00 0.06 0.00 1.25 0.00 0.00 42.46 42.60 2qtn s ILE 149 CO 0.13 -0.76 1.70 -2.16 0.24 0.00 0.00 174.94 174.09 2qtn s PRO 150 N -2.83 3.89 0.35 0.37 0.04 -1.26 -3.78 135.00 131.78 2qtn s PRO 150 Ca -0.02 -1.83 -0.26 0.00 0.04 0.00 0.00 61.00 58.92 2qtn s PRO 150 Cb -0.00 -5.50 -0.13 0.00 0.04 0.00 0.00 34.50 28.91 2qtn s PRO 150 CO -0.05 -2.30 0.99 -1.91 0.04 0.00 0.00 177.00 173.77 2qtn n GLU 151 N 8.48 1.33 -4.02 4.56 2.13 -1.26 -4.99 120.64 126.87 2qtn n GLU 151 Ca 0.46 0.47 -0.32 0.00 0.66 0.00 0.00 57.16 58.43 2qtn n GLU 151 Cb 0.47 -1.91 -0.15 0.00 0.27 0.00 0.00 31.44 30.12 2qtn n GLU 151 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2qtn s PHE 152 N -1.17 3.44 0.00 4.31 5.99 -1.26 -5.02 117.98 124.27 2qtn s PHE 152 Ca 0.60 -2.50 0.00 0.00 0.00 0.00 0.00 56.93 55.03 2qtn s PHE 152 Cb -0.64 -2.33 0.00 0.00 0.00 0.00 0.00 43.02 40.06 2qtn s PHE 152 CO 0.59 -0.90 1.81 0.00 -0.00 0.00 0.00 175.22 176.72 2qtn n ALA 153 N 4.40 3.73 -2.51 11.12 0.00 -1.26 -4.65 120.51 131.34 2qtn n ALA 153 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 2qtn n ALA 153 Cb 0.42 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 2qtn n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtn s VAL 154 N 0.07 5.02 0.10 0.00 0.11 -1.26 -5.08 120.40 119.36 2qtn s VAL 154 Ca 0.00 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2qtn s VAL 154 Cb 0.00 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2qtn s VAL 154 CO 0.00 0.11 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.92 2qtn s SER 155 N -2.10 0.78 0.16 3.54 1.04 -1.26 -4.69 113.70 111.17 2qtn s SER 155 Ca 0.40 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 2qtn s SER 155 Cb -0.13 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2qtn s SER 155 CO 0.21 -0.58 1.76 0.28 0.98 0.00 0.00 173.24 175.89 2qtn h SER 156 N 2.96 0.63 -0.77 7.02 0.02 -1.88 -2.31 113.55 119.22 2qtn h SER 156 Ca -0.35 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2qtn h SER 156 Cb 1.17 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2qtn h SER 156 CO 0.64 0.55 0.51 0.77 -1.14 0.00 0.00 176.83 178.16 2qtn h SER 157 N 0.67 0.87 -0.59 3.07 4.64 -1.93 0.12 113.55 120.38 2qtn h SER 157 Ca 0.18 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2qtn h SER 157 Cb 0.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2qtn h SER 157 CO -0.03 0.62 -0.02 0.25 -0.87 0.00 0.00 176.83 176.78 2qtn h LEU 158 N 1.02 1.04 0.01 5.97 6.46 -1.89 -2.61 115.31 125.31 2qtn h LEU 158 Ca 0.29 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2qtn h LEU 158 Cb -0.09 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.56 2qtn h LEU 158 CO -0.07 1.11 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.79 2qtn h LEU 159 N 0.95 -0.01 -1.58 2.25 3.38 -0.73 -1.77 115.31 117.81 2qtn h LEU 159 Ca 0.16 -0.31 0.23 0.00 0.09 0.00 0.00 57.88 58.05 2qtn h LEU 159 Cb 0.58 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2qtn h LEU 159 CO 0.03 0.31 0.63 0.03 0.09 0.00 0.00 178.44 179.53 2qtn h ARG 160 N -0.33 0.31 -0.11 1.13 3.08 -0.79 0.19 114.38 117.86 2qtn h ARG 160 Ca -0.00 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 2qtn h ARG 160 Cb 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2qtn h ARG 160 CO 0.00 0.21 -0.74 1.49 -1.07 0.00 0.00 179.97 179.86 2qtn h GLU 161 N 0.32 0.57 -0.15 0.04 4.81 -1.14 -2.92 114.58 116.11 2qtn h GLU 161 Ca 0.49 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2qtn h GLU 161 Cb 1.36 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 2qtn h GLU 161 CO -0.17 1.09 0.08 0.00 -0.73 0.00 0.00 179.01 179.29 2qtn h ARG 162 N 0.39 0.21 -0.72 1.92 2.47 0.24 -2.57 114.38 116.34 2qtn h ARG 162 Ca -0.04 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 2qtn h ARG 162 Cb 1.34 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 2qtn h ARG 162 CO 0.14 0.22 0.27 1.88 0.56 0.00 0.00 179.97 183.04 2qtn h TYR 163 N 0.15 1.09 -0.79 3.04 -1.99 -1.48 0.11 116.97 117.09 2qtn h TYR 163 Ca 0.05 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.71 2qtn h TYR 163 Cb 0.07 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 38.44 2qtn h TYR 163 CO -0.04 0.84 0.52 -0.22 -0.00 0.00 0.00 178.16 179.25 2qtn h LYS 164 N 1.04 1.05 -0.74 4.88 3.11 -1.35 -2.74 116.57 121.83 2qtn h LYS 164 Ca 0.24 -0.07 -0.32 0.00 -2.81 0.00 0.00 60.65 57.69 2qtn h LYS 164 Cb 0.22 -0.23 -0.19 0.00 -1.00 0.00 0.00 32.23 31.03 2qtn h LYS 164 CO -0.02 0.70 0.34 0.39 -2.81 0.00 0.00 179.45 178.06 2qtn n GLU 165 N -4.41 2.73 -3.94 1.90 1.02 -0.98 -4.95 120.64 112.01 2qtn n GLU 165 Ca 0.09 -3.07 -0.31 0.00 -0.02 0.00 0.00 57.16 53.85 2qtn n GLU 165 Cb 0.03 -2.10 -0.04 0.00 -0.02 0.00 0.00 31.44 29.31 2qtn n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qtn n LYS 166 N -0.76 -2.19 -2.67 3.49 4.01 -0.90 -4.94 118.16 114.19 2qtn n LYS 166 Ca 0.46 0.24 -0.21 0.00 -0.51 0.00 0.00 58.31 58.30 2qtn n LYS 166 Cb 1.41 -4.88 0.04 0.00 -0.51 0.00 0.00 35.03 31.09 2qtn n LYS 166 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qtn s LYS 167 N -6.61 2.55 0.61 1.97 1.02 0.32 -5.02 119.74 114.58 2qtn s LYS 167 Ca 0.61 -0.84 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 2qtn s LYS 167 Cb -0.35 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 2qtn s LYS 167 CO 0.75 -0.69 1.14 -0.08 -0.92 0.00 0.00 175.35 175.55 2qtn s THR 168 N -2.73 3.04 -0.00 2.17 -1.32 -1.26 -4.59 115.64 110.94 2qtn s THR 168 Ca 0.57 0.57 0.00 0.00 -1.21 0.00 0.00 61.69 61.63 2qtn s THR 168 Cb -0.10 -3.15 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 2qtn s THR 168 CO 0.38 -0.21 0.77 0.00 -2.21 0.00 0.00 174.62 173.35 2qtn n LYS 170 N -0.04 2.69 -0.14 0.00 4.81 -1.26 -2.18 118.16 122.04 2qtn n LYS 170 Ca 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 2qtn n LYS 170 Cb 0.60 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.92 2qtn n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qtn n TYR 171 N 1.85 0.00 0.08 5.64 4.02 -1.26 -4.83 117.16 122.65 2qtn n TYR 171 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 2qtn n TYR 171 Cb 0.37 -0.48 -0.09 0.00 -0.02 0.00 0.00 39.34 39.12 2qtn n TYR 171 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2qtn h LEU 172 N 0.00 0.15 -7.23 7.72 3.38 -1.87 -3.46 115.31 114.00 2qtn h LEU 172 Ca 0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2qtn h LEU 172 Cb 0.00 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 40.52 2qtn h LEU 172 CO 0.00 1.07 -0.00 -1.48 0.09 0.00 0.00 178.44 178.12 2qtn s LEU 173 N -6.98 0.01 0.52 1.67 2.34 -1.26 -1.01 118.68 113.97 2qtn s LEU 173 Ca -0.01 0.29 -0.18 0.00 0.06 0.00 0.00 54.13 54.29 2qtn s LEU 173 Cb 0.09 2.01 -0.13 0.00 -0.56 0.00 0.00 46.19 47.61 2qtn s LEU 173 CO 0.83 -0.62 0.14 -2.65 -1.06 0.00 0.00 176.35 172.99 2qtn n PRO 174 N 0.75 0.20 -0.07 1.48 -0.02 -1.26 -4.72 135.00 131.36 2qtn n PRO 174 Ca -0.19 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 2qtn n PRO 174 Cb 0.58 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 2qtn n PRO 174 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qtn h GLU 175 N 0.11 0.43 -0.93 -0.52 5.08 -2.00 -0.72 114.58 116.03 2qtn h GLU 175 Ca -0.43 -0.20 0.19 0.00 -1.00 0.00 0.00 59.36 57.93 2qtn h GLU 175 Cb 1.43 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.56 2qtn h GLU 175 CO 0.44 0.74 0.49 0.87 -1.00 0.00 0.00 179.01 180.55 2qtn h LYS 176 N 0.11 0.57 -0.07 2.33 1.57 -1.95 0.63 116.57 119.75 2qtn h LYS 176 Ca 0.04 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2qtn h LYS 176 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2qtn h LYS 176 CO 0.03 0.38 -0.71 0.28 -0.57 0.00 0.00 179.45 178.86 2qtn h VAL 177 N 0.59 1.39 -0.31 0.50 2.07 -1.84 -2.73 116.25 115.92 2qtn h VAL 177 Ca 0.55 -2.13 -0.09 0.00 0.82 0.00 0.00 66.70 65.85 2qtn h VAL 177 Cb 0.93 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2qtn h VAL 177 CO -0.43 0.64 -0.14 1.56 0.02 0.00 0.00 177.57 179.21 2qtn h GLN 178 N 0.25 0.64 -0.44 1.57 4.20 0.11 -1.95 115.11 119.49 2qtn h GLN 178 Ca -0.03 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.47 2qtn h GLN 178 Cb 1.28 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 2qtn h GLN 178 CO 0.12 0.86 0.12 0.28 -0.67 0.00 0.00 178.83 179.54 2qtn h VAL 179 N 0.40 0.81 -0.46 -0.54 2.07 0.06 -2.01 116.25 116.57 2qtn h VAL 179 Ca 0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qtn h VAL 179 Cb 0.66 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2qtn h VAL 179 CO 0.04 0.05 0.30 0.22 0.02 0.00 0.00 177.57 178.20 2qtn h TYR 180 N 0.27 0.59 0.52 1.57 3.20 -1.40 -1.84 116.97 119.88 2qtn h TYR 180 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 2qtn h TYR 180 Cb 0.24 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2qtn h TYR 180 CO -0.18 0.39 -0.25 0.82 -1.64 0.00 0.00 178.16 177.30 2qtn h ILE 181 N 0.62 0.48 -0.68 1.81 2.04 -0.85 -1.56 117.51 119.38 2qtn h ILE 181 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2qtn h ILE 181 Cb -0.04 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2qtn h ILE 181 CO -0.03 0.00 0.33 -0.33 0.00 0.00 0.00 178.15 178.11 2qtn h GLU 182 N -0.70 0.97 0.40 2.37 5.08 -1.37 -0.70 114.58 120.64 2qtn h GLU 182 Ca -0.07 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2qtn h GLU 182 Cb 0.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2qtn h GLU 182 CO 0.11 0.77 -0.19 0.00 -1.00 0.00 0.00 179.01 178.70 2qtn h ARG 183 N 0.94 -0.52 0.00 2.33 3.08 -1.34 -2.66 114.38 116.21 2qtn h ARG 183 Ca 0.23 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2qtn h ARG 183 Cb 0.12 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qtn h ARG 183 CO -0.03 -0.23 0.00 0.09 -1.07 0.00 0.00 179.97 178.73 2qtn n ASN 184 N -5.23 0.00 -1.98 7.04 4.13 -0.59 -4.87 115.26 113.76 2qtn n ASN 184 Ca -0.10 -0.62 -0.19 0.00 1.68 0.00 0.00 54.58 55.34 2qtn n ASN 184 Cb 0.28 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.49 2qtn n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qtn n GLY 185 N 0.15 0.18 3.75 7.41 0.00 -0.39 -4.99 105.19 111.31 2qtn n GLY 185 Ca 0.13 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2qtn n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtn s LEU 186 N -5.17 3.31 0.00 0.99 1.43 -0.49 -1.17 118.68 117.59 2qtn s LEU 186 Ca 0.00 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2qtn s LEU 186 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.66 2qtn s LEU 186 CO 0.00 -1.95 0.00 -1.22 0.23 0.00 0.00 176.35 173.41 2qtn n TYR 187 N -2.69 0.00 -0.12 0.29 4.01 -1.26 -3.88 117.16 113.50 2qtn n TYR 187 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2qtn n TYR 187 Cb 0.51 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.75 2qtn n TYR 187 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2qtn n GLU 188 N 0.00 2.91 0.00 -0.72 0.00 -1.24 -4.29 120.64 117.30 2qtn n GLU 188 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 57.16 55.38 2qtn n GLU 188 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 31.44 29.56 2qtn n GLU 188 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58