#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt n SER 2 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.17 113.62 112.21 1qtt n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qtt n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qtt n SER 2 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1qtt n MET 3 N -0.05 0.00 -3.46 4.33 0.00 -1.26 -5.11 117.12 111.57 1qtt n MET 3 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.70 57.56 1qtt n MET 3 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1qtt n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qtt s ALA 4 N -3.43 -1.67 -0.17 -5.12 0.00 -1.26 -5.02 121.76 105.09 1qtt s ALA 4 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1qtt s ALA 4 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1qtt s ALA 4 CO 0.00 -0.61 0.15 0.41 0.00 0.00 0.00 175.76 175.72 1qtt n GLY 5 N 0.14 0.18 2.15 0.00 0.00 -1.26 -4.91 105.19 101.48 1qtt n GLY 5 Ca -0.18 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1qtt n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qtt n GLU 6 N -1.57 2.22 -1.25 1.61 0.28 -1.26 -4.93 120.64 115.75 1qtt n GLU 6 Ca -0.01 -1.44 0.14 0.00 -0.16 0.00 0.00 57.16 55.69 1qtt n GLU 6 Cb 0.51 -2.08 -0.07 0.00 1.43 0.00 0.00 31.44 31.23 1qtt n GLU 6 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1qtt n ASP 7 N 2.12 -6.22 -4.71 -1.84 5.68 -1.26 -4.83 116.55 105.49 1qtt n ASP 7 Ca 0.46 1.10 -0.30 0.00 -0.50 0.00 0.00 54.79 55.56 1qtt n ASP 7 Cb 0.78 -4.23 0.14 0.00 -1.14 0.00 0.00 41.12 36.68 1qtt n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qtt s VAL 8 N -4.34 2.57 -0.03 2.12 1.01 -1.26 -5.01 120.40 115.47 1qtt s VAL 8 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1qtt s VAL 8 Cb 0.00 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1qtt s VAL 8 CO 0.00 -0.24 -0.00 1.23 0.00 0.00 0.00 175.10 176.08 1qtt h GLY 9 N -1.61 0.00 -4.59 4.51 0.00 -2.00 -3.50 103.07 95.89 1qtt h GLY 9 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1qtt h GLY 9 CO 0.55 0.00 0.15 0.00 0.00 0.00 0.00 176.54 177.24 1qtt s ALA 10 N -2.89 -1.77 1.01 3.60 0.00 -1.26 -5.18 121.76 115.29 1qtt s ALA 10 Ca -0.00 1.72 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 1qtt s ALA 10 Cb 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 23.12 22.64 1qtt s ALA 10 CO 0.00 -0.35 1.19 -1.25 0.00 0.00 0.00 175.76 175.35 1qtt s PRO 11 N -0.28 0.27 -0.92 0.00 0.04 -1.26 -4.92 135.00 127.94 1qtt s PRO 11 Ca -0.05 -0.04 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 1qtt s PRO 11 Cb -0.03 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1qtt s PRO 11 CO 0.05 -2.72 1.67 -1.25 0.04 0.00 0.00 177.00 174.79 1qtt s PRO 12 N -5.51 3.06 0.56 0.56 0.04 -1.26 -4.80 135.00 127.65 1qtt s PRO 12 Ca 0.69 -0.57 0.49 0.00 0.04 0.00 0.00 61.00 61.66 1qtt s PRO 12 Cb -0.10 -5.06 1.70 0.00 0.04 0.00 0.00 34.50 31.08 1qtt s PRO 12 CO 0.54 -2.72 1.56 0.22 0.04 0.00 0.00 177.00 176.63 1qtt h ASP 13 N 10.84 0.00 -4.64 6.66 3.58 -1.95 -3.38 116.42 127.53 1qtt h ASP 13 Ca 0.08 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1qtt h ASP 13 Cb 1.02 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.86 1qtt h ASP 13 CO 1.31 0.00 -0.20 -1.38 -2.88 0.00 0.00 179.24 176.09 1qtt s HIS 14 N -4.84 -0.33 0.10 0.28 -3.43 -1.26 -0.29 115.29 105.51 1qtt s HIS 14 Ca -0.05 0.65 0.08 0.00 -0.80 0.00 0.00 55.06 54.93 1qtt s HIS 14 Cb 0.26 0.16 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 1qtt s HIS 14 CO 0.87 -0.36 -0.20 -0.51 -2.00 0.00 0.00 174.74 172.54 1qtt s LEU 15 N -0.82 2.30 -0.24 5.38 1.43 -1.12 -3.61 118.68 121.99 1qtt s LEU 15 Ca -0.09 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1qtt s LEU 15 Cb -0.04 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.45 1qtt s LEU 15 CO 0.04 0.03 0.04 0.26 0.23 0.00 0.00 176.35 176.95 1qtt s TRP 16 N -1.20 1.50 0.05 0.29 0.51 0.09 -1.87 118.94 118.30 1qtt s TRP 16 Ca 0.05 -1.32 -0.30 0.00 -2.12 0.00 0.00 56.10 52.41 1qtt s TRP 16 Cb -0.10 -1.36 -0.08 0.00 -0.81 0.00 0.00 33.47 31.13 1qtt s TRP 16 CO 0.04 -0.73 1.61 0.54 -0.51 0.00 0.00 176.95 177.90 1qtt s VAL 17 N 1.69 3.20 -0.07 4.03 0.11 0.56 0.62 120.40 130.55 1qtt s VAL 17 Ca 0.02 0.61 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 1qtt s VAL 17 Cb -0.17 -3.39 -0.08 0.00 -1.53 0.00 0.00 36.38 31.21 1qtt s VAL 17 CO -0.13 -0.01 0.00 1.57 -3.33 0.00 0.00 175.10 173.20 1qtt n HIS 18 N 5.70 0.00 -3.89 1.54 -0.00 -0.46 -4.93 115.22 113.19 1qtt n HIS 18 Ca 0.15 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.25 1qtt n HIS 18 Cb 0.41 -0.33 -0.07 0.00 -0.12 0.00 0.00 29.99 29.88 1qtt n HIS 18 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qtt s GLN 19 N -2.16 0.87 -0.37 1.57 -1.52 -1.17 -4.09 119.66 112.78 1qtt s GLN 19 Ca -0.05 -1.01 -0.36 0.00 -1.95 0.00 0.00 55.36 51.99 1qtt s GLN 19 Cb 0.02 0.34 -0.12 0.00 -0.22 0.00 0.00 33.01 33.02 1qtt s GLN 19 CO 0.26 -0.27 2.19 -0.85 -0.25 0.00 0.00 175.29 176.36 1qtt n GLU 20 N -0.07 0.93 -1.62 2.91 0.28 -1.26 0.19 120.64 122.01 1qtt n GLU 20 Ca -0.14 0.25 -0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1qtt n GLU 20 Cb 0.62 -2.34 -0.01 0.00 1.43 0.00 0.00 31.44 31.14 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qtt n GLY 21 N 6.67 0.47 2.99 -1.84 0.00 -1.25 -4.91 105.19 107.33 1qtt n GLY 21 Ca 0.43 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.23 0.95 0.08 -0.61 1.09 0.51 0.20 121.20 121.20 1qtt s ILE 22 Ca 0.00 -0.38 0.03 0.00 -1.10 0.00 0.00 60.65 59.20 1qtt s ILE 22 Cb 0.00 -0.89 -0.03 0.00 -1.06 0.00 0.00 42.46 40.48 1qtt s ILE 22 CO 0.00 0.31 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.75 1qtt s TYR 23 N 0.68 0.97 -0.13 3.97 2.02 0.44 -1.35 117.35 123.95 1qtt s TYR 23 Ca -0.13 -0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 55.94 1qtt s TYR 23 Cb -0.15 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 1qtt s TYR 23 CO 0.03 -0.03 -0.08 0.50 -1.57 0.00 0.00 175.55 174.39 1qtt s ARG 24 N -2.46 3.37 0.93 -0.62 3.52 0.20 0.22 118.95 124.12 1qtt s ARG 24 Ca 0.01 -0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 1qtt s ARG 24 Cb -0.05 -2.73 0.18 0.00 -1.56 0.00 0.00 34.95 30.79 1qtt s ARG 24 CO -0.00 0.31 1.30 0.34 -0.81 0.00 0.00 175.30 176.43 1qtt s ASP 25 N 0.14 3.36 -0.19 -2.12 3.68 0.53 -0.73 116.67 121.33 1qtt s ASP 25 Ca -0.04 0.34 0.06 0.00 2.13 0.00 0.00 52.55 55.04 1qtt s ASP 25 Cb -0.14 -0.46 0.43 0.00 -1.45 0.00 0.00 42.92 41.30 1qtt s ASP 25 CO 0.04 -2.59 1.35 1.21 0.13 0.00 0.00 175.17 175.31 1qtt n GLU 26 N -3.68 2.59 -1.10 4.34 2.13 -1.24 -3.68 120.64 119.99 1qtt n GLU 26 Ca 0.14 -1.77 -0.01 0.00 0.66 0.00 0.00 57.16 56.18 1qtt n GLU 26 Cb 0.60 -1.83 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1qtt n TYR 27 N 0.02 0.00 -3.16 4.31 4.01 -1.26 -4.98 117.16 116.09 1qtt n TYR 27 Ca 0.24 -0.40 -0.14 0.00 -0.16 0.00 0.00 57.90 57.44 1qtt n TYR 27 Cb 0.96 0.14 0.05 0.00 -0.31 0.00 0.00 39.34 40.18 1qtt n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qtt n GLN 28 N 0.21 -4.82 -3.97 -0.72 1.13 -1.24 -5.01 117.38 102.95 1qtt n GLN 28 Ca -0.08 0.50 -0.34 0.00 -1.94 0.00 0.00 57.00 55.14 1qtt n GLN 28 Cb 0.87 -4.55 -0.14 0.00 0.11 0.00 0.00 30.24 26.52 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qtt s ARG 29 N -5.78 2.78 0.26 -1.09 0.52 -1.26 -4.91 118.95 109.47 1qtt s ARG 29 Ca 0.35 -1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 1qtt s ARG 29 Cb -0.15 -2.96 -0.09 0.00 0.52 0.00 0.00 34.95 32.26 1qtt s ARG 29 CO 0.44 -0.41 0.95 0.95 0.02 0.00 0.00 175.30 177.26 1qtt s THR 30 N 1.30 4.04 0.20 0.02 -4.23 -1.26 0.20 115.64 115.91 1qtt s THR 30 Ca -0.00 1.99 0.10 0.00 -1.18 0.00 0.00 61.69 62.59 1qtt s THR 30 Cb -0.17 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.39 1qtt s THR 30 CO -0.05 0.42 -0.20 0.26 -0.54 0.00 0.00 174.62 174.51 1qtt s TRP 31 N -1.26 2.06 -0.45 3.99 0.52 0.60 -2.99 118.94 121.40 1qtt s TRP 31 Ca 0.43 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.17 1qtt s TRP 31 Cb -0.25 -0.99 0.12 0.00 -1.15 0.00 0.00 33.47 31.20 1qtt s TRP 31 CO 0.31 0.46 0.18 0.08 0.02 0.00 0.00 176.95 178.00 1qtt s VAL 32 N -2.08 2.50 -0.27 4.03 1.01 0.81 -0.42 120.40 125.97 1qtt s VAL 32 Ca 0.21 -2.93 -0.29 0.00 0.00 0.00 0.00 61.98 58.96 1qtt s VAL 32 Cb -0.06 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1qtt s VAL 32 CO 0.09 -0.72 1.25 0.00 0.00 0.00 0.00 175.10 175.72 1qtt s ALA 33 N 0.18 3.46 -0.71 5.51 0.00 0.55 -0.80 121.76 129.95 1qtt s ALA 33 Ca 0.15 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 1qtt s ALA 33 Cb -0.23 -3.72 0.18 0.00 0.00 0.00 0.00 23.12 19.35 1qtt s ALA 33 CO -0.03 -1.57 0.58 0.08 0.00 0.00 0.00 175.76 174.81 1qtt s VAL 34 N 4.04 4.56 -0.18 0.00 1.01 0.54 -3.81 120.40 126.55 1qtt s VAL 34 Ca 0.54 -2.71 -0.29 0.00 0.00 0.00 0.00 61.98 59.52 1qtt s VAL 34 Cb -0.17 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1qtt s VAL 34 CO 0.19 -0.94 1.88 0.54 0.00 0.00 0.00 175.10 176.77 1qtt s VAL 35 N 0.08 3.34 -0.33 2.92 0.11 -1.26 -2.09 120.40 123.18 1qtt s VAL 35 Ca 0.17 0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.59 1qtt s VAL 35 Cb -0.16 -3.37 0.13 0.00 -1.53 0.00 0.00 36.38 31.45 1qtt s VAL 35 CO -0.06 -0.17 0.19 -0.70 -3.33 0.00 0.00 175.10 171.04 1qtt s GLU 36 N 5.22 0.41 0.73 1.54 -6.30 0.98 -5.00 118.70 116.28 1qtt s GLU 36 Ca 0.84 -0.98 -0.15 0.00 -2.50 0.00 0.00 54.97 52.18 1qtt s GLU 36 Cb -0.30 -1.20 0.04 0.00 0.00 0.00 0.00 34.13 32.67 1qtt s GLU 36 CO 0.34 -1.14 1.20 -1.21 0.02 0.00 0.00 175.26 174.47 1qtt s GLU 37 N 1.50 2.13 -0.17 4.30 2.02 -1.26 -4.04 118.70 123.17 1qtt s GLU 37 Ca 0.14 1.74 -0.32 0.00 0.02 0.00 0.00 54.97 56.55 1qtt s GLU 37 Cb -0.20 -1.83 0.14 0.00 0.10 0.00 0.00 34.13 32.33 1qtt s GLU 37 CO -0.14 -1.84 1.13 -1.83 0.02 0.00 0.00 175.26 172.61 1qtt s GLU 38 N -3.95 0.42 -1.09 1.61 -1.05 -1.15 -4.96 118.70 108.53 1qtt s GLU 38 Ca 0.74 -0.07 -0.06 0.00 -0.15 0.00 0.00 54.97 55.43 1qtt s GLU 38 Cb -0.29 0.19 0.05 0.00 -0.44 0.00 0.00 34.13 33.65 1qtt s GLU 38 CO 0.46 -0.16 0.30 2.41 0.95 0.00 0.00 175.26 179.21 1qtt n THR 39 N 0.16 -0.75 -3.64 1.83 -1.04 -1.26 0.61 114.28 110.19 1qtt n THR 39 Ca -0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.73 1qtt n THR 39 Cb 0.59 -1.58 0.07 0.00 -1.82 0.00 0.00 70.33 67.59 1qtt n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qtt n SER 40 N -2.07 -5.28 -1.79 8.00 7.64 -1.26 -4.97 113.62 113.89 1qtt n SER 40 Ca -0.05 -0.61 -0.06 0.00 1.01 0.00 0.00 58.87 59.16 1qtt n SER 40 Cb 0.55 -4.79 -0.02 0.00 -1.01 0.00 0.00 64.21 58.94 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qtt n PHE 41 N -4.80 -0.21 -5.04 1.43 3.72 0.20 -5.04 117.46 107.72 1qtt n PHE 41 Ca -0.04 -0.88 -0.32 0.00 -0.05 0.00 0.00 57.45 56.16 1qtt n PHE 41 Cb 0.57 0.08 -0.14 0.00 -0.94 0.00 0.00 39.48 39.05 1qtt n PHE 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qtt s LEU 42 N 0.00 2.47 -0.17 4.37 1.43 -1.18 -2.96 118.68 122.64 1qtt s LEU 42 Ca 0.12 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1qtt s LEU 42 Cb 0.01 -1.47 0.08 0.00 0.03 0.00 0.00 46.19 44.84 1qtt s LEU 42 CO 0.08 0.33 0.33 -0.60 0.23 0.00 0.00 176.35 176.72 1qtt s ARG 43 N -0.71 0.23 -0.65 1.70 3.52 -1.25 -2.01 118.95 119.77 1qtt s ARG 43 Ca 0.11 0.81 0.02 0.00 -0.13 0.00 0.00 55.73 56.54 1qtt s ARG 43 Cb -0.10 0.01 0.16 0.00 -1.56 0.00 0.00 34.95 33.46 1qtt s ARG 43 CO 0.00 -0.32 0.44 0.00 -0.81 0.00 0.00 175.30 174.62 1qtt s ALA 44 N 2.50 3.66 -0.31 6.12 0.00 0.33 -0.02 121.76 134.04 1qtt s ALA 44 Ca 0.01 -3.52 -0.28 0.00 0.00 0.00 0.00 51.96 48.18 1qtt s ALA 44 Cb -0.12 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1qtt s ALA 44 CO -0.11 -2.08 2.00 0.50 0.00 0.00 0.00 175.76 176.07 1qtt s ARG 45 N -0.72 3.15 -0.41 0.00 3.52 -0.89 -2.40 118.95 121.20 1qtt s ARG 45 Ca 0.21 1.62 -0.18 0.00 -0.13 0.00 0.00 55.73 57.25 1qtt s ARG 45 Cb -0.16 -4.30 0.02 0.00 -1.56 0.00 0.00 34.95 28.95 1qtt s ARG 45 CO -0.07 -2.07 0.48 0.08 -0.81 0.00 0.00 175.30 172.90 1qtt s VAL 46 N 7.84 5.04 -0.17 7.11 1.01 1.12 0.20 120.40 142.55 1qtt s VAL 46 Ca 0.88 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1qtt s VAL 46 Cb -0.26 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1qtt s VAL 46 CO 0.33 -0.42 -0.05 -1.58 0.00 0.00 0.00 175.10 173.38 1qtt s GLN 47 N 2.27 3.55 -0.27 2.72 0.74 0.02 0.28 119.66 128.97 1qtt s GLN 47 Ca 0.14 -0.57 -0.21 0.00 0.05 0.00 0.00 55.36 54.77 1qtt s GLN 47 Cb -0.16 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 1qtt s GLN 47 CO 0.14 0.14 0.67 -1.14 -0.55 0.00 0.00 175.29 174.55 1qtt s GLN 48 N 0.62 4.04 0.13 1.67 -0.44 -0.07 0.28 119.66 125.89 1qtt s GLN 48 Ca -0.03 0.52 -0.17 0.00 -2.50 0.00 0.00 55.36 53.18 1qtt s GLN 48 Cb -0.15 -3.68 0.04 0.00 -1.64 0.00 0.00 33.01 27.58 1qtt s GLN 48 CO 0.03 -0.50 0.43 0.96 0.50 0.00 0.00 175.29 176.71 1qtt s ILE 49 N 2.62 0.06 -0.23 -2.34 -0.00 -1.16 -4.05 121.20 116.09 1qtt s ILE 49 Ca 0.27 -0.47 -0.29 0.00 -0.00 0.00 0.00 60.65 60.16 1qtt s ILE 49 Cb -0.15 -1.13 -0.03 0.00 -0.00 0.00 0.00 42.46 41.15 1qtt s ILE 49 CO 0.10 -0.26 1.64 -1.10 -0.00 0.00 0.00 174.94 175.32 1qtt s GLN 50 N -3.73 3.74 -0.11 0.37 -1.52 -1.26 -4.58 119.66 112.57 1qtt s GLN 50 Ca 0.02 1.64 -0.11 0.00 -1.95 0.00 0.00 55.36 54.96 1qtt s GLN 50 Cb 0.01 -4.06 0.03 0.00 -0.22 0.00 0.00 33.01 28.77 1qtt s GLN 50 CO -0.12 -1.37 0.30 0.54 -0.25 0.00 0.00 175.29 174.40 1qtt s VAL 51 N 5.41 0.00 0.88 1.09 0.11 -1.26 -5.15 120.40 121.48 1qtt s VAL 51 Ca 0.73 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.65 1qtt s VAL 51 Cb -0.25 -0.43 0.12 0.00 -1.53 0.00 0.00 36.38 34.30 1qtt s VAL 51 CO 0.30 -0.00 1.13 -2.16 -3.33 0.00 0.00 175.10 171.04 1qtt s PRO 52 N 0.16 1.37 0.03 1.54 0.04 -1.26 -4.90 135.00 131.98 1qtt s PRO 52 Ca -0.00 0.38 0.08 0.00 0.04 0.00 0.00 61.00 61.49 1qtt s PRO 52 Cb -0.02 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1qtt s PRO 52 CO 0.00 -2.06 -0.22 -0.51 0.04 0.00 0.00 177.00 174.25 1qtt s LEU 53 N -5.97 2.15 -0.30 -3.56 1.43 -1.26 -5.12 118.68 106.05 1qtt s LEU 53 Ca 0.63 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1qtt s LEU 53 Cb -0.15 -1.08 0.17 0.00 0.03 0.00 0.00 46.19 45.16 1qtt s LEU 53 CO 0.54 0.20 0.77 -0.83 0.23 0.00 0.00 176.35 177.26 1qtt s GLY 54 N -1.09 -0.65 0.34 -3.19 0.00 -1.26 -5.12 107.32 96.34 1qtt s GLY 54 Ca 0.09 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.18 1qtt s GLY 54 CO 0.01 3.36 0.00 1.34 0.00 0.00 0.00 173.10 177.82 1qtt n ASP 55 N 5.36 -6.23 -2.93 1.64 -0.08 -1.26 -4.96 116.55 108.09 1qtt n ASP 55 Ca -0.06 0.84 -0.13 0.00 -1.51 0.00 0.00 54.79 53.93 1qtt n ASP 55 Cb 0.51 -2.91 0.01 0.00 2.34 0.00 0.00 41.12 41.08 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qtt n ALA 56 N -0.77 2.39 -1.00 -1.67 0.00 -1.26 -4.68 120.51 113.53 1qtt n ALA 56 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1qtt n ALA 56 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N 0.11 0.00 -2.72 0.00 0.00 -1.26 -4.95 120.51 111.68 1qtt n ALA 57 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1qtt n ALA 57 Cb 0.74 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.29 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.12 -0.00 0.00 1.74 -1.26 -4.98 116.66 113.27 1qtt n ARG 58 Ca 0.00 -1.92 -0.17 0.00 -0.77 0.00 0.00 57.85 54.99 1qtt n ARG 58 Cb 0.00 -0.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.84 1qtt n ARG 58 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qtt h PRO 59 N 2.45 0.48 0.00 5.56 0.13 -1.92 0.34 132.00 139.04 1qtt h PRO 59 Ca -0.20 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1qtt h PRO 59 Cb 1.21 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1qtt h PRO 59 CO 0.03 1.11 0.00 -1.13 -0.23 0.00 0.00 178.00 177.78 1qtt n SER 60 N -4.18 0.00 -0.07 1.44 3.41 -1.26 0.19 113.62 113.14 1qtt n SER 60 Ca -0.10 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 1qtt n SER 60 Cb 0.67 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1qtt n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qtt n HIS 61 N -1.34 0.00 -0.04 7.33 8.25 -1.13 -0.75 115.22 127.55 1qtt n HIS 61 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 1qtt n HIS 61 Cb 0.09 -0.55 -0.13 0.00 1.12 0.00 0.00 29.99 30.51 1qtt n HIS 61 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qtt h LEU 62 N -0.07 0.14 0.12 2.41 -0.00 0.11 -2.35 115.31 115.67 1qtt h LEU 62 Ca -0.33 -0.95 -0.01 0.00 -0.00 0.00 0.00 57.88 56.60 1qtt h LEU 62 Cb 1.48 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1qtt h LEU 62 CO -0.07 1.07 -0.06 0.25 -0.00 0.00 0.00 178.44 179.63 1qtt h LEU 63 N -0.78 -0.13 0.01 1.67 7.12 0.18 -3.41 115.31 119.97 1qtt h LEU 63 Ca -0.04 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 1qtt h LEU 63 Cb 1.13 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1qtt h LEU 63 CO 0.04 0.01 -0.01 0.74 -0.13 0.00 0.00 178.44 179.09 1qtt h THR 64 N -0.37 0.00 -3.64 1.05 2.02 -1.58 -3.48 112.91 106.92 1qtt h THR 64 Ca -0.02 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 66.93 1qtt h THR 64 Cb 0.12 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 66.61 1qtt h THR 64 CO 0.03 0.00 -0.37 -1.54 0.37 0.00 0.00 175.52 174.01 1qtt n SER 65 N -2.09 -4.23 0.11 4.18 3.41 0.07 -4.89 113.62 110.18 1qtt n SER 65 Ca -0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1qtt n SER 65 Cb 0.01 -2.95 0.00 0.00 -0.26 0.00 0.00 64.21 61.01 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -2.92 0.00 -2.11 4.33 6.02 -1.25 -5.02 117.38 116.43 1qtt n GLN 66 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.60 1qtt n GLN 66 Cb 0.54 -0.03 -0.00 0.00 1.02 0.00 0.00 30.24 31.76 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qtt s LEU 67 N -6.58 4.09 0.86 1.08 1.02 -1.26 -5.01 118.68 112.88 1qtt s LEU 67 Ca 0.00 2.52 -0.12 0.00 0.02 0.00 0.00 54.13 56.55 1qtt s LEU 67 Cb 0.00 -4.08 0.11 0.00 0.02 0.00 0.00 46.19 42.24 1qtt s LEU 67 CO 0.00 -0.96 1.12 -2.16 0.02 0.00 0.00 176.35 174.37 1qtt s PRO 68 N -2.49 1.57 0.13 1.29 0.04 -1.26 -4.83 135.00 129.45 1qtt s PRO 68 Ca 0.61 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 1qtt s PRO 68 Cb -0.35 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1qtt s PRO 68 CO 0.43 -1.93 1.42 1.25 0.04 0.00 0.00 177.00 178.21 1qtt h LEU 69 N -1.31 0.97 -7.75 -3.56 7.12 -1.94 -3.43 115.31 105.41 1qtt h LEU 69 Ca -0.49 -0.52 -0.22 0.00 0.13 0.00 0.00 57.88 56.79 1qtt h LEU 69 Cb 1.30 -0.28 -0.27 0.00 -0.53 0.00 0.00 40.66 40.89 1qtt h LEU 69 CO 0.61 1.30 -0.69 -0.32 -0.13 0.00 0.00 178.44 179.20 1qtt s MET 70 N -4.20 0.07 0.22 1.25 1.75 -1.26 -0.32 119.30 116.82 1qtt s MET 70 Ca -0.11 -0.08 0.06 0.00 -1.25 0.00 0.00 55.69 54.32 1qtt s MET 70 Cb 0.10 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1qtt s MET 70 CO 0.88 -0.01 0.15 -1.58 -0.65 0.00 0.00 175.02 173.82 1qtt s TRP 71 N -0.23 3.09 -0.21 4.11 0.51 -0.78 -3.42 118.94 122.00 1qtt s TRP 71 Ca -0.03 -0.08 -0.04 0.00 -2.12 0.00 0.00 56.10 53.82 1qtt s TRP 71 Cb -0.02 -1.43 0.07 0.00 -0.81 0.00 0.00 33.47 31.29 1qtt s TRP 71 CO -0.00 0.53 0.10 -1.14 -0.51 0.00 0.00 176.95 175.92 1qtt s GLN 72 N -3.52 0.15 -0.09 4.98 2.00 0.11 -2.81 119.66 120.48 1qtt s GLN 72 Ca 0.32 -0.24 -0.29 0.00 -2.00 0.00 0.00 55.36 53.14 1qtt s GLN 72 Cb -0.09 -1.68 -0.07 0.00 0.80 0.00 0.00 33.01 31.97 1qtt s GLN 72 CO 0.24 -0.76 2.09 -0.11 -0.50 0.00 0.00 175.29 176.24 1qtt n LEU 73 N 5.25 3.72 0.00 3.68 7.94 0.60 0.21 117.00 138.39 1qtt n LEU 73 Ca -0.07 0.58 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 1qtt n LEU 73 Cb 0.47 -1.53 0.05 0.00 0.53 0.00 0.00 43.42 42.93 1qtt n LEU 73 CO 0.09 -0.22 0.27 -1.22 -1.11 0.00 0.00 177.39 175.20 1qtt n TYR 74 N 9.44 -2.02 -1.55 1.96 4.02 0.53 -4.86 117.16 124.68 1qtt n TYR 74 Ca 0.25 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.90 55.95 1qtt n TYR 74 Cb 0.42 -0.46 0.10 0.00 -0.02 0.00 0.00 39.34 39.37 1qtt n TYR 74 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qtt s PRO 75 N -4.23 1.96 0.00 -0.72 0.04 -1.26 -4.21 135.00 126.58 1qtt s PRO 75 Ca 0.48 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1qtt s PRO 75 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1qtt s PRO 75 CO 0.30 -1.70 0.00 -1.91 0.04 0.00 0.00 177.00 173.73 1qtt n GLU 76 N -3.48 0.00 0.00 4.56 2.13 -1.26 -4.00 120.64 118.59 1qtt n GLU 76 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1qtt n GLU 76 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qtt n GLU 77 N 0.00 0.00 -3.63 5.31 2.13 -1.26 -5.16 120.64 118.03 1qtt n GLU 77 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1qtt n GLU 77 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qtt s ARG 78 N 0.00 1.04 -0.19 5.31 0.52 -1.26 -3.01 118.95 121.36 1qtt s ARG 78 Ca 0.00 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 54.56 1qtt s ARG 78 Cb 0.00 0.46 -0.03 0.00 0.52 0.00 0.00 34.95 35.90 1qtt s ARG 78 CO 0.00 -0.40 0.01 0.71 0.02 0.00 0.00 175.30 175.65 1qtt s TYR 79 N -3.44 3.08 -0.31 -0.53 1.51 0.35 -0.35 117.35 117.65 1qtt s TYR 79 Ca 0.01 -0.32 -0.13 0.00 -1.01 0.00 0.00 57.07 55.62 1qtt s TYR 79 Cb 0.01 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 1qtt s TYR 79 CO -0.09 -0.14 0.24 1.41 -1.11 0.00 0.00 175.55 175.85 1qtt s MET 80 N 0.84 3.70 0.76 -0.62 -2.45 0.56 0.87 119.30 122.97 1qtt s MET 80 Ca 0.01 -0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 53.95 1qtt s MET 80 Cb -0.14 -3.74 0.14 0.00 1.25 0.00 0.00 34.83 32.33 1qtt s MET 80 CO 0.02 -0.35 1.06 0.16 1.05 0.00 0.00 175.02 176.96 1qtt s ASP 81 N 1.73 4.14 0.00 1.11 -4.77 -0.44 0.07 116.67 118.52 1qtt s ASP 81 Ca 0.08 -0.20 0.24 0.00 -3.30 0.00 0.00 52.55 49.37 1qtt s ASP 81 Cb -0.17 -0.14 0.26 0.00 -1.09 0.00 0.00 42.92 41.78 1qtt s ASP 81 CO 0.11 -2.01 1.30 -3.20 0.70 0.00 0.00 175.17 172.07 1qtt n ASN 82 N -3.01 3.05 -0.02 2.11 2.85 -1.22 -4.00 115.26 115.02 1qtt n ASN 82 Ca 0.15 -1.99 0.15 0.00 -0.11 0.00 0.00 54.58 52.78 1qtt n ASN 82 Cb 0.60 -0.05 0.85 0.00 1.24 0.00 0.00 39.78 42.42 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1qtt n ASN 83 N 1.35 0.06 -0.15 1.20 5.15 -1.26 -4.85 115.26 116.74 1qtt n ASN 83 Ca 0.15 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1qtt n ASN 83 Cb 0.59 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qtt n SER 84 N -1.09 -0.96 -4.04 1.20 2.88 -1.26 -5.08 113.62 105.27 1qtt n SER 84 Ca 0.19 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.66 1qtt n SER 84 Cb 0.18 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.21 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qtt s ARG 85 N -3.12 0.62 -0.19 -1.46 0.52 -1.26 -5.04 118.95 109.02 1qtt s ARG 85 Ca 0.00 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 1qtt s ARG 85 Cb 0.00 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.74 1qtt s ARG 85 CO 0.00 -0.13 -0.10 -1.17 0.02 0.00 0.00 175.30 173.92 1qtt s LEU 86 N -2.75 2.15 0.07 2.53 0.20 -1.26 -1.32 118.68 118.30 1qtt s LEU 86 Ca 0.04 -0.84 -0.20 0.00 0.69 0.00 0.00 54.13 53.83 1qtt s LEU 86 Cb 0.06 -1.18 -0.07 0.00 -0.43 0.00 0.00 46.19 44.57 1qtt s LEU 86 CO -0.09 -0.15 0.58 0.26 -0.29 0.00 0.00 176.35 176.66 1qtt s TRP 87 N 1.44 3.80 -0.24 5.38 0.52 0.25 -4.26 118.94 125.83 1qtt s TRP 87 Ca -0.01 1.28 -0.15 0.00 0.02 0.00 0.00 56.10 57.23 1qtt s TRP 87 Cb -0.16 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.61 1qtt s TRP 87 CO -0.08 0.56 0.39 -1.14 0.02 0.00 0.00 176.95 176.70 1qtt s GLN 88 N -1.01 4.09 -0.82 4.98 0.74 0.98 0.13 119.66 128.76 1qtt s GLN 88 Ca 0.29 0.13 -0.26 0.00 0.05 0.00 0.00 55.36 55.58 1qtt s GLN 88 Cb -0.19 -3.60 -0.11 0.00 1.10 0.00 0.00 33.01 30.21 1qtt s GLN 88 CO 0.19 -0.17 2.26 0.42 -0.55 0.00 0.00 175.29 177.45 1qtt s ILE 89 N 1.72 3.14 0.25 -2.34 -1.09 -1.17 -0.02 121.20 121.70 1qtt s ILE 89 Ca 0.17 -0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1qtt s ILE 89 Cb -0.15 -3.33 0.23 0.00 -1.58 0.00 0.00 42.46 37.63 1qtt s ILE 89 CO 0.09 -0.31 1.72 1.56 -1.23 0.00 0.00 174.94 176.77 1qtt h GLN 90 N 12.46 0.42 -1.63 2.79 1.08 -0.89 -3.45 115.11 125.90 1qtt h GLN 90 Ca 0.02 -0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.35 1qtt h GLN 90 Cb 1.01 -0.09 -0.21 0.00 -0.05 0.00 0.00 27.48 28.14 1qtt h GLN 90 CO 1.07 0.28 0.67 -3.38 -0.95 0.00 0.00 178.83 176.52 1qtt s HIS 91 N -6.00 -0.25 -0.24 2.96 -3.43 -1.23 -4.97 115.29 102.14 1qtt s HIS 91 Ca -0.12 0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.41 1qtt s HIS 91 Cb 0.21 0.49 0.13 0.00 -1.43 0.00 0.00 32.58 31.98 1qtt s HIS 91 CO 0.77 -0.30 0.40 -1.58 -2.00 0.00 0.00 174.74 172.02 1qtt s HIS 92 N -1.90 -0.86 0.02 0.38 2.46 -1.26 -0.03 115.29 114.10 1qtt s HIS 92 Ca 0.04 1.03 -0.00 0.00 0.47 0.00 0.00 55.06 56.60 1qtt s HIS 92 Cb -0.01 0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1qtt s HIS 92 CO -0.04 -0.67 0.03 1.47 -2.47 0.00 0.00 174.74 173.06 1qtt n LEU 93 N 5.37 0.00 -4.11 8.88 -0.00 -1.14 -4.93 117.00 121.07 1qtt n LEU 93 Ca -0.05 -0.13 -0.32 0.00 -0.00 0.00 0.00 56.01 55.52 1qtt n LEU 93 Cb 0.50 0.14 -0.16 0.00 -0.00 0.00 0.00 43.42 43.90 1qtt n LEU 93 CO 0.05 -0.03 -0.52 -0.32 -0.00 0.00 0.00 177.39 176.56 1qtt s MET 94 N -2.02 2.78 -0.05 1.47 -2.45 -1.26 -1.07 119.30 116.70 1qtt s MET 94 Ca 0.01 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.73 1qtt s MET 94 Cb -0.00 -2.36 -0.00 0.00 1.25 0.00 0.00 34.83 33.72 1qtt s MET 94 CO 0.01 -0.13 -0.17 0.08 1.05 0.00 0.00 175.02 175.86 1qtt s VAL 95 N 1.12 1.46 -1.49 10.11 1.01 0.57 -4.72 120.40 128.46 1qtt s VAL 95 Ca -0.01 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1qtt s VAL 95 Cb -0.14 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.08 1qtt s VAL 95 CO -0.07 0.42 0.73 0.54 0.00 0.00 0.00 175.10 176.72 1qtt n ARG 96 N 3.24 -4.00 -1.78 2.72 1.74 -1.26 0.13 116.66 117.45 1qtt n ARG 96 Ca -0.19 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1qtt n ARG 96 Cb 0.53 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.67 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qtt n GLY 97 N -1.40 0.63 2.97 -0.13 0.00 -1.26 -5.00 105.19 101.00 1qtt n GLY 97 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1qtt n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtt s VAL 98 N -2.53 0.83 -0.41 1.61 1.01 0.35 -5.06 120.40 116.21 1qtt s VAL 98 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1qtt s VAL 98 Cb 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1qtt s VAL 98 CO 0.00 0.28 0.86 -1.10 0.00 0.00 0.00 175.10 175.14 1qtt s GLN 99 N 0.61 3.65 -0.33 2.72 -0.21 -1.26 0.21 119.66 125.06 1qtt s GLN 99 Ca -0.11 0.27 -0.10 0.00 0.02 0.00 0.00 55.36 55.44 1qtt s GLN 99 Cb -0.13 -3.86 0.00 0.00 1.00 0.00 0.00 33.01 30.01 1qtt s GLN 99 CO 0.02 -1.03 0.18 -2.00 -2.12 0.00 0.00 175.29 170.33 1qtt s GLU 100 N 3.43 3.20 -0.20 2.91 2.12 -0.23 -0.89 118.70 129.04 1qtt s GLU 100 Ca 0.35 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 1qtt s GLU 100 Cb -0.12 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1qtt s GLU 100 CO 0.21 -0.51 0.00 -1.17 -0.54 0.00 0.00 175.26 173.25 1qtt s LEU 101 N 1.61 3.28 -0.19 2.70 0.20 0.80 -2.88 118.68 124.19 1qtt s LEU 101 Ca 0.04 -0.18 -0.09 0.00 0.69 0.00 0.00 54.13 54.59 1qtt s LEU 101 Cb -0.18 -1.83 -0.05 0.00 -0.43 0.00 0.00 46.19 43.71 1qtt s LEU 101 CO 0.07 0.08 0.10 -0.76 -0.29 0.00 0.00 176.35 175.55 1qtt s LEU 102 N 0.93 4.03 -0.14 -0.68 1.43 0.96 0.36 118.68 125.56 1qtt s LEU 102 Ca 0.01 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1qtt s LEU 102 Cb -0.14 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1qtt s LEU 102 CO 0.02 0.17 -0.20 -0.76 0.23 0.00 0.00 176.35 175.82 1qtt s LEU 103 N 0.38 2.25 -0.15 1.79 1.43 -1.01 -0.16 118.68 123.20 1qtt s LEU 103 Ca 0.06 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1qtt s LEU 103 Cb -0.12 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1qtt s LEU 103 CO -0.01 0.09 -0.13 -0.75 0.23 0.00 0.00 176.35 175.79 1qtt s LYS 104 N 0.75 3.32 -0.27 1.70 2.47 0.97 0.12 119.74 128.80 1qtt s LYS 104 Ca -0.08 -0.70 -0.08 0.00 -1.56 0.00 0.00 55.97 53.56 1qtt s LYS 104 Cb -0.16 -2.69 -0.02 0.00 -1.46 0.00 0.00 37.83 33.51 1qtt s LYS 104 CO 0.00 0.07 0.09 -1.17 0.16 0.00 0.00 175.35 174.50 1qtt s LEU 105 N 0.71 3.65 0.24 5.43 2.96 -0.85 0.33 118.68 131.14 1qtt s LEU 105 Ca -0.06 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1qtt s LEU 105 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1qtt s LEU 105 CO 0.02 -0.10 0.40 -0.76 -1.32 0.00 0.00 176.35 174.59 1qtt s LEU 106 N 1.59 4.23 -0.14 -0.68 1.02 -1.26 -3.09 118.68 120.35 1qtt s LEU 106 Ca 0.05 0.26 -0.29 0.00 0.02 0.00 0.00 54.13 54.17 1qtt s LEU 106 Cb -0.16 -3.05 -0.02 0.00 0.02 0.00 0.00 46.19 42.98 1qtt s LEU 106 CO 0.04 -0.09 1.26 -2.16 0.02 0.00 0.00 176.35 175.42 1qtt s PRO 107 N -3.77 4.26 -0.38 1.29 0.04 -1.26 -4.86 135.00 130.32 1qtt s PRO 107 Ca 0.37 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1qtt s PRO 107 Cb -0.10 -3.72 -0.08 0.00 0.04 0.00 0.00 34.50 30.64 1qtt s PRO 107 CO 0.30 -0.65 2.31 -0.40 0.04 0.00 0.00 177.00 178.60 1qtt n ASP 108 N 6.29 2.54 -4.82 6.66 5.75 -1.26 -4.92 116.55 126.80 1qtt n ASP 108 Ca 0.13 0.01 -0.38 0.00 -0.01 0.00 0.00 54.79 54.54 1qtt n ASP 108 Cb 0.45 -1.47 -0.06 0.00 -1.03 0.00 0.00 41.12 39.01 1qtt n ASP 108 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1qtt s ASP 109 N 9.47 6.96 0.05 -1.12 1.47 -1.26 -5.08 116.67 127.16 1qtt s ASP 109 Ca 1.04 1.16 0.01 0.00 1.18 0.00 0.00 52.55 55.94 1qtt s ASP 109 Cb -0.44 -2.32 -0.03 0.00 -0.34 0.00 0.00 42.92 39.79 1qtt s ASP 109 CO 0.36 0.25 -0.06 0.00 0.68 0.00 0.00 175.17 176.40 1qtt s ARG 110 N -1.27 0.58 -0.31 2.11 1.70 -1.26 -5.13 118.95 115.37 1qtt s ARG 110 Ca 0.29 -0.94 -0.02 0.00 -0.47 0.00 0.00 55.73 54.59 1qtt s ARG 110 Cb -0.18 -0.13 0.11 0.00 -0.57 0.00 0.00 34.95 34.18 1qtt s ARG 110 CO 0.18 -0.01 0.16 -1.54 -1.08 0.00 0.00 175.30 173.01 1qtt s SER 111 N -2.10 3.36 0.70 -2.89 1.04 -1.26 -5.14 113.70 107.41 1qtt s SER 111 Ca -0.03 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 54.67 1qtt s SER 111 Cb -0.04 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.71 1qtt s SER 111 CO -0.03 -0.39 1.06 -2.16 0.98 0.00 0.00 173.24 172.71 1qtt s PRO 112 N 1.72 2.86 0.00 4.02 0.04 -1.26 -4.56 135.00 137.82 1qtt s PRO 112 Ca 0.12 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1qtt s PRO 112 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1qtt s PRO 112 CO -0.23 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1qtt n GLY 113 N -2.00 4.63 3.30 0.56 0.00 -1.26 -5.03 105.19 105.40 1qtt n GLY 113 Ca 0.07 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 1qtt n GLY 113 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qtt n ILE 114 N 0.00 4.42 -3.20 -0.61 -0.00 -1.26 -4.80 119.36 113.91 1qtt n ILE 114 Ca 0.00 -4.90 -0.17 0.00 -0.00 0.00 0.00 62.75 57.67 1qtt n ILE 114 Cb 0.00 -2.45 -0.06 0.00 -0.00 0.00 0.00 39.64 37.13 1qtt n ILE 114 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1qtt s HIS 115 N 0.43 -0.08 0.01 1.39 5.65 -1.26 -5.11 115.29 116.32 1qtt s HIS 115 Ca 0.39 -1.41 -0.31 0.00 0.25 0.00 0.00 55.06 53.98 1qtt s HIS 115 Cb -0.02 -0.41 -0.09 0.00 -1.18 0.00 0.00 32.58 30.88 1qtt s HIS 115 CO -0.01 -1.00 1.97 2.89 -0.65 0.00 0.00 174.74 177.95 1qtt n ARG 116 N 3.24 2.76 -0.35 2.88 1.85 -1.26 -5.27 116.66 120.50 1qtt n ARG 116 Ca 0.21 1.01 0.00 0.00 -1.00 0.00 0.00 57.85 58.07 1qtt n ARG 116 Cb 0.50 -2.97 0.00 0.00 -1.05 0.00 0.00 32.46 28.94 1qtt n ARG 116 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15