#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 3.20 -1.60 1.61 2.88 -1.26 -5.11 113.62 113.34 1qtt n SER 2 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qtt n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qtt n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1qtt n MET 3 N -2.48 -0.21 -0.77 -1.46 0.00 -1.26 -5.02 117.12 105.91 1qtt n MET 3 Ca 0.00 0.64 -0.30 0.00 -0.00 0.00 0.00 57.70 58.04 1qtt n MET 3 Cb 0.46 -1.70 0.17 0.00 0.00 0.00 0.00 33.22 32.15 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 -0.87 1.18 0.00 -5.12 0.00 -1.26 -5.02 121.76 110.67 1qtt s ALA 4 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1qtt s ALA 4 Cb -0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1qtt s ALA 4 CO 0.06 -2.83 0.00 0.41 0.00 0.00 0.00 175.76 173.40 1qtt n GLY 5 N 0.06 -3.07 3.60 0.00 0.00 -1.26 -5.06 105.19 99.45 1qtt n GLY 5 Ca 0.09 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N 0.00 0.79 0.61 1.61 2.56 -1.26 -5.17 118.70 117.84 1qtt s GLU 6 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 54.97 55.92 1qtt s GLU 6 Cb 0.00 0.35 0.03 0.00 2.00 0.00 0.00 34.13 36.51 1qtt s GLU 6 CO 0.00 -0.10 0.90 -0.51 -0.56 0.00 0.00 175.26 174.98 1qtt s ASP 7 N 0.55 5.29 1.00 -1.70 1.01 -1.26 -5.03 116.67 116.53 1qtt s ASP 7 Ca -0.01 0.45 -0.19 0.00 0.71 0.00 0.00 52.55 53.51 1qtt s ASP 7 Cb -0.05 -1.33 -0.12 0.00 1.01 0.00 0.00 42.92 42.43 1qtt s ASP 7 CO -0.02 -1.23 -0.78 0.52 0.21 0.00 0.00 175.17 173.87 1qtt n VAL 8 N -2.61 0.00 -0.02 -1.27 0.31 -1.26 -4.95 118.33 108.53 1qtt n VAL 8 Ca 0.06 -0.33 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1qtt n VAL 8 Cb 0.59 -0.12 -0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1qtt n VAL 8 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1qtt h GLY 9 N -1.14 0.00 -4.89 2.92 0.00 -2.00 -3.49 103.07 94.47 1qtt h GLY 9 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1qtt h GLY 9 CO 0.25 0.00 0.15 0.00 0.00 0.00 0.00 176.54 176.94 1qtt s ALA 10 N -2.84 -1.79 0.98 3.60 0.00 -1.26 -5.18 121.76 115.28 1qtt s ALA 10 Ca -0.01 1.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.74 1qtt s ALA 10 Cb 0.00 -1.04 0.18 0.00 0.00 0.00 0.00 23.12 22.26 1qtt s ALA 10 CO 0.01 -0.34 1.17 -1.25 0.00 0.00 0.00 175.76 175.35 1qtt s PRO 11 N 0.18 0.55 -0.83 0.00 0.04 -1.26 -4.93 135.00 128.74 1qtt s PRO 11 Ca -0.01 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 1qtt s PRO 11 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO 0.02 -2.56 1.64 -1.25 0.04 0.00 0.00 177.00 174.89 1qtt s PRO 12 N -5.44 3.00 0.57 0.56 0.04 -1.26 -4.81 135.00 127.66 1qtt s PRO 12 Ca 0.67 -0.29 0.39 0.00 0.04 0.00 0.00 61.00 61.81 1qtt s PRO 12 Cb -0.11 -4.78 1.43 0.00 0.04 0.00 0.00 34.50 31.08 1qtt s PRO 12 CO 0.54 -2.63 1.57 0.22 0.04 0.00 0.00 177.00 176.74 1qtt h ASP 13 N 11.45 0.00 -4.92 6.66 1.82 -1.95 -3.39 116.42 126.09 1qtt h ASP 13 Ca -0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.48 1qtt h ASP 13 Cb 1.05 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.86 1qtt h ASP 13 CO 1.29 0.00 -0.20 -1.38 -1.61 0.00 0.00 179.24 177.33 1qtt s HIS 14 N -4.72 -0.27 0.05 0.28 -3.43 -1.26 0.60 115.29 106.54 1qtt s HIS 14 Ca -0.04 0.44 0.05 0.00 -0.80 0.00 0.00 55.06 54.71 1qtt s HIS 14 Cb 0.21 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1qtt s HIS 14 CO 0.72 -0.41 -0.14 -0.51 -2.00 0.00 0.00 174.74 172.39 1qtt s LEU 15 N -1.21 2.20 -0.20 5.38 1.43 -1.06 -3.80 118.68 121.42 1qtt s LEU 15 Ca -0.12 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1qtt s LEU 15 Cb -0.04 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.67 1qtt s LEU 15 CO 0.05 -0.00 0.00 0.26 0.23 0.00 0.00 176.35 176.89 1qtt s TRP 16 N -0.99 1.47 -0.13 0.29 0.51 0.18 -1.59 118.94 118.69 1qtt s TRP 16 Ca 0.00 -1.13 -0.29 0.00 -2.12 0.00 0.00 56.10 52.56 1qtt s TRP 16 Cb -0.08 -1.21 -0.04 0.00 -0.81 0.00 0.00 33.47 31.33 1qtt s TRP 16 CO 0.02 -0.65 1.53 0.54 -0.51 0.00 0.00 176.95 177.87 1qtt s VAL 17 N 1.71 3.82 -0.06 4.03 0.11 -1.20 0.15 120.40 128.95 1qtt s VAL 17 Ca -0.02 0.98 0.04 0.00 -2.93 0.00 0.00 61.98 60.05 1qtt s VAL 17 Cb -0.17 -3.69 -0.07 0.00 -1.53 0.00 0.00 36.38 30.92 1qtt s VAL 17 CO -0.07 -0.15 0.00 1.57 -3.33 0.00 0.00 175.10 173.12 1qtt n HIS 18 N 7.32 0.00 -4.24 1.54 -0.00 -1.20 -4.94 115.22 113.69 1qtt n HIS 18 Ca 0.17 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.18 1qtt n HIS 18 Cb 0.44 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 29.90 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 -2.15 1.03 -0.29 1.57 -0.21 -1.26 -3.97 119.66 114.39 1qtt s GLN 19 Ca -0.05 -1.30 -0.33 0.00 0.02 0.00 0.00 55.36 53.71 1qtt s GLN 19 Cb 0.02 -0.82 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 1qtt s GLN 19 CO 0.24 0.14 2.18 -1.91 -2.12 0.00 0.00 175.29 173.83 1qtt n GLU 20 N 0.32 1.44 -2.01 2.91 2.13 -1.26 0.55 120.64 124.71 1qtt n GLU 20 Ca -0.14 0.40 -0.04 0.00 0.66 0.00 0.00 57.16 58.04 1qtt n GLU 20 Cb 0.58 -2.74 -0.00 0.00 0.27 0.00 0.00 31.44 29.55 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qtt n GLY 21 N 6.16 0.23 3.10 8.31 0.00 -1.26 -4.93 105.19 116.81 1qtt n GLY 21 Ca 0.36 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.20 0.55 0.01 -0.61 1.09 0.19 0.24 121.20 120.46 1qtt s ILE 22 Ca 0.00 -1.44 -0.12 0.00 -1.10 0.00 0.00 60.65 57.99 1qtt s ILE 22 Cb 0.00 -1.05 0.01 0.00 -1.06 0.00 0.00 42.46 40.37 1qtt s ILE 22 CO 0.00 -0.61 0.25 -0.31 -0.10 0.00 0.00 174.94 174.17 1qtt s TYR 23 N -2.38 -0.08 -0.14 3.97 2.02 0.11 -3.23 117.35 117.62 1qtt s TYR 23 Ca -0.01 0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.68 1qtt s TYR 23 Cb -0.03 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.54 1qtt s TYR 23 CO -0.02 -0.39 0.02 0.50 -1.57 0.00 0.00 175.55 174.09 1qtt s ARG 24 N -1.73 3.55 0.66 -0.62 3.52 0.41 0.27 118.95 125.01 1qtt s ARG 24 Ca -0.11 -0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 54.99 1qtt s ARG 24 Cb -0.04 -3.00 0.15 0.00 -1.56 0.00 0.00 34.95 30.49 1qtt s ARG 24 CO 0.01 0.44 0.89 -3.47 -0.81 0.00 0.00 175.30 172.36 1qtt n ASP 25 N 2.98 0.14 -1.54 -2.12 -0.08 0.40 -0.65 116.55 115.70 1qtt n ASP 25 Ca -0.18 -1.37 0.07 0.00 -1.51 0.00 0.00 54.79 51.81 1qtt n ASP 25 Cb 0.53 -0.68 0.33 0.00 2.34 0.00 0.00 41.12 43.64 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1qtt n GLU 26 N -2.88 3.78 -1.51 -0.67 0.00 -1.25 -4.00 120.64 114.12 1qtt n GLU 26 Ca 0.11 -2.56 0.02 0.00 0.00 0.00 0.00 57.16 54.74 1qtt n GLU 26 Cb 0.40 -1.96 0.01 0.00 0.00 0.00 0.00 31.44 29.89 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1qtt n TYR 27 N 0.77 0.05 -3.21 -1.84 4.01 -1.26 -4.98 117.16 110.70 1qtt n TYR 27 Ca 0.23 -0.59 -0.16 0.00 -0.16 0.00 0.00 57.90 57.22 1qtt n TYR 27 Cb 0.91 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.94 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 0.36 -5.47 -4.09 -0.72 6.02 -1.26 -5.01 117.38 107.22 1qtt n GLN 28 Ca 0.01 0.61 -0.33 0.00 -0.01 0.00 0.00 57.00 57.29 1qtt n GLN 28 Cb 1.07 -4.96 -0.15 0.00 1.02 0.00 0.00 30.24 27.21 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qtt s ARG 29 N -5.61 2.69 0.38 -1.09 0.52 -1.26 -4.93 118.95 109.65 1qtt s ARG 29 Ca 0.27 -1.04 -0.24 0.00 -0.52 0.00 0.00 55.73 54.20 1qtt s ARG 29 Cb -0.12 -2.72 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1qtt s ARG 29 CO 0.53 -0.36 0.99 0.95 0.02 0.00 0.00 175.30 177.43 1qtt s THR 30 N 1.22 4.05 0.15 0.02 -4.23 -1.26 0.15 115.64 115.74 1qtt s THR 30 Ca -0.01 1.55 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 1qtt s THR 30 Cb -0.16 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1qtt s THR 30 CO -0.09 -0.01 -0.13 0.26 -0.54 0.00 0.00 174.62 174.11 1qtt s TRP 31 N -1.75 1.47 -0.39 3.99 0.52 0.78 -3.06 118.94 120.51 1qtt s TRP 31 Ca 0.56 -0.61 0.03 0.00 0.02 0.00 0.00 56.10 56.10 1qtt s TRP 31 Cb -0.18 -0.74 0.11 0.00 -1.15 0.00 0.00 33.47 31.51 1qtt s TRP 31 CO 0.23 0.20 0.12 0.08 0.02 0.00 0.00 176.95 177.60 1qtt s VAL 32 N -2.66 2.09 -0.44 4.03 1.01 0.60 0.08 120.40 125.10 1qtt s VAL 32 Ca 0.15 -2.48 -0.27 0.00 0.00 0.00 0.00 61.98 59.38 1qtt s VAL 32 Cb -0.02 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1qtt s VAL 32 CO 0.04 -0.69 1.03 0.00 0.00 0.00 0.00 175.10 175.49 1qtt s ALA 33 N 0.66 3.24 -0.96 5.51 0.00 0.65 0.00 121.76 130.86 1qtt s ALA 33 Ca 0.13 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1qtt s ALA 33 Cb -0.21 -3.75 0.25 0.00 0.00 0.00 0.00 23.12 19.41 1qtt s ALA 33 CO -0.08 -2.04 0.93 0.08 0.00 0.00 0.00 175.76 174.65 1qtt s VAL 34 N 4.03 5.77 -0.36 0.00 1.01 0.46 -4.00 120.40 127.32 1qtt s VAL 34 Ca 0.43 -2.95 -0.33 0.00 0.00 0.00 0.00 61.98 59.13 1qtt s VAL 34 Cb -0.09 -4.52 -0.10 0.00 0.00 0.00 0.00 36.38 31.67 1qtt s VAL 34 CO 0.27 -1.10 2.23 0.55 0.00 0.00 0.00 175.10 177.05 1qtt n VAL 35 N 3.34 0.19 -3.83 2.92 3.14 -1.26 -2.70 118.33 120.12 1qtt n VAL 35 Ca 0.19 -0.32 -0.33 0.00 -2.96 0.00 0.00 64.34 60.91 1qtt n VAL 35 Cb 0.43 -1.85 -0.12 0.00 -1.06 0.00 0.00 33.84 31.25 1qtt n VAL 35 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1qtt s GLU 36 N 6.50 2.33 -0.26 1.45 2.02 0.51 -4.98 118.70 126.26 1qtt s GLU 36 Ca 1.08 -2.68 -0.40 0.00 0.02 0.00 0.00 54.97 53.00 1qtt s GLU 36 Cb -0.73 -3.53 -0.16 0.00 0.10 0.00 0.00 34.13 29.81 1qtt s GLU 36 CO 0.45 -1.16 1.73 -1.91 0.02 0.00 0.00 175.26 174.39 1qtt n GLU 37 N 3.14 1.16 -1.91 1.61 2.13 -1.26 -3.17 120.64 122.34 1qtt n GLU 37 Ca 0.08 0.42 -0.30 0.00 0.66 0.00 0.00 57.16 58.02 1qtt n GLU 37 Cb 0.35 -2.11 0.03 0.00 0.27 0.00 0.00 31.44 29.98 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qtt s GLU 38 N 3.43 3.16 0.40 5.31 0.41 0.33 -4.92 118.70 126.81 1qtt s GLU 38 Ca 0.98 0.56 0.18 0.00 -0.41 0.00 0.00 54.97 56.28 1qtt s GLU 38 Cb -1.06 -2.06 1.10 0.00 -1.78 0.00 0.00 34.13 30.33 1qtt s GLU 38 CO 0.65 -0.83 1.78 1.15 -0.49 0.00 0.00 175.26 177.52 1qtt h THR 39 N -0.50 0.55 -0.15 3.63 2.02 -2.02 -3.10 112.91 113.34 1qtt h THR 39 Ca -0.45 -0.14 -0.19 0.00 0.77 0.00 0.00 66.41 66.40 1qtt h THR 39 Cb 1.23 0.11 -0.24 0.00 -1.74 0.00 0.00 68.15 67.51 1qtt h THR 39 CO 0.63 0.07 -0.58 -1.20 0.37 0.00 0.00 175.52 174.82 1qtt n SER 40 N -4.60 -0.37 -1.51 4.18 7.64 -1.26 -5.12 113.62 112.57 1qtt n SER 40 Ca 0.24 -2.14 -0.02 0.00 1.01 0.00 0.00 58.87 57.97 1qtt n SER 40 Cb 0.85 0.26 0.01 0.00 -1.01 0.00 0.00 64.21 64.32 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 -1.14 -1.09 -4.64 1.43 3.72 -1.17 -5.09 117.46 109.47 1qtt n PHE 41 Ca -0.09 -0.40 -0.27 0.00 -0.05 0.00 0.00 57.45 56.64 1qtt n PHE 41 Cb 0.85 0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 39.42 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 1.73 -0.08 4.37 1.43 -1.22 -0.52 118.68 124.39 1qtt s LEU 42 Ca 0.05 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1qtt s LEU 42 Cb -0.01 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1qtt s LEU 42 CO 0.02 0.05 -0.09 -0.60 0.23 0.00 0.00 176.35 175.96 1qtt s ARG 43 N 0.72 1.44 -0.59 1.70 3.52 -1.19 -0.64 118.95 123.91 1qtt s ARG 43 Ca -0.13 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1qtt s ARG 43 Cb -0.16 -1.36 0.15 0.00 -1.56 0.00 0.00 34.95 32.02 1qtt s ARG 43 CO 0.03 -0.12 0.36 0.00 -0.81 0.00 0.00 175.30 174.76 1qtt s ALA 44 N 1.16 3.49 -0.36 6.12 0.00 0.18 0.19 121.76 132.55 1qtt s ALA 44 Ca -0.06 -3.39 -0.28 0.00 0.00 0.00 0.00 51.96 48.23 1qtt s ALA 44 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1qtt s ALA 44 CO -0.02 -2.06 1.89 0.50 0.00 0.00 0.00 175.76 176.07 1qtt s ARG 45 N -0.49 3.16 -0.41 0.00 3.52 -1.10 -2.46 118.95 121.19 1qtt s ARG 45 Ca 0.19 1.41 -0.18 0.00 -0.13 0.00 0.00 55.73 57.02 1qtt s ARG 45 Cb -0.21 -4.26 0.02 0.00 -1.56 0.00 0.00 34.95 28.94 1qtt s ARG 45 CO -0.04 -2.06 0.48 0.08 -0.81 0.00 0.00 175.30 172.94 1qtt s VAL 46 N 7.60 5.04 -0.18 7.11 1.01 0.81 0.17 120.40 141.97 1qtt s VAL 46 Ca 0.82 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1qtt s VAL 46 Cb -0.22 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1qtt s VAL 46 CO 0.32 -0.40 -0.01 -1.58 0.00 0.00 0.00 175.10 173.43 1qtt s GLN 47 N 2.28 3.70 -0.21 2.72 0.74 0.10 0.27 119.66 129.26 1qtt s GLN 47 Ca 0.15 -0.49 -0.23 0.00 0.05 0.00 0.00 55.36 54.83 1qtt s GLN 47 Cb -0.16 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1qtt s GLN 47 CO 0.14 0.16 0.74 -1.14 -0.55 0.00 0.00 175.29 174.65 1qtt s GLN 48 N 0.60 4.21 0.15 1.67 2.00 0.22 0.22 119.66 128.73 1qtt s GLN 48 Ca -0.01 0.81 -0.18 0.00 -2.00 0.00 0.00 55.36 53.99 1qtt s GLN 48 Cb -0.14 -3.61 0.04 0.00 0.80 0.00 0.00 33.01 30.10 1qtt s GLN 48 CO 0.02 -0.37 0.48 0.96 -0.50 0.00 0.00 175.29 175.88 1qtt s ILE 49 N 2.34 0.04 -0.53 -2.34 -0.00 -1.17 -3.82 121.20 115.72 1qtt s ILE 49 Ca 0.33 -0.52 -0.22 0.00 -0.00 0.00 0.00 60.65 60.24 1qtt s ILE 49 Cb -0.16 -1.25 0.05 0.00 -0.00 0.00 0.00 42.46 41.09 1qtt s ILE 49 CO 0.10 -0.19 0.82 -1.10 -0.00 0.00 0.00 174.94 174.56 1qtt s GLN 50 N -3.81 3.26 -0.04 0.37 1.11 -1.26 -4.41 119.66 114.88 1qtt s GLN 50 Ca 0.04 -0.48 -0.05 0.00 0.01 0.00 0.00 55.36 54.89 1qtt s GLN 50 Cb 0.00 -4.06 0.01 0.00 -1.01 0.00 0.00 33.01 27.95 1qtt s GLN 50 CO -0.10 -1.37 0.12 0.14 0.01 0.00 0.00 175.29 174.09 1qtt s VAL 51 N 3.45 0.02 0.08 1.09 -7.23 -1.26 -5.14 120.40 111.41 1qtt s VAL 51 Ca 0.25 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 1qtt s VAL 51 Cb -0.15 -0.23 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 1qtt s VAL 51 CO 0.17 -0.09 1.16 -2.16 -0.31 0.00 0.00 175.10 173.87 1qtt s PRO 52 N -0.26 4.47 -0.34 4.82 0.04 -1.26 -4.94 135.00 137.53 1qtt s PRO 52 Ca -0.03 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1qtt s PRO 52 Cb -0.03 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1qtt s PRO 52 CO 0.00 -0.18 1.32 -0.51 0.04 0.00 0.00 177.00 177.68 1qtt s LEU 53 N 0.80 3.78 0.00 -3.56 1.43 -1.26 -4.97 118.68 114.91 1qtt s LEU 53 Ca 0.56 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1qtt s LEU 53 Cb -0.29 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1qtt s LEU 53 CO 0.30 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1qtt n GLY 54 N 4.57 1.49 2.01 -3.19 0.00 -1.26 -4.99 105.19 103.82 1qtt n GLY 54 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1qtt n GLY 54 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qtt n ASP 55 N 0.00 -2.39 -2.74 1.61 5.68 -1.26 -5.04 116.55 112.41 1qtt n ASP 55 Ca 0.00 -0.74 -0.09 0.00 -0.50 0.00 0.00 54.79 53.47 1qtt n ASP 55 Cb 0.00 -0.60 0.07 0.00 -1.14 0.00 0.00 41.12 39.45 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qtt n ALA 56 N -4.38 -1.07 -3.00 2.12 0.00 -1.26 -4.61 120.51 108.31 1qtt n ALA 56 Ca -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1qtt n ALA 56 Cb 0.36 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.93 0.00 -3.05 0.00 0.00 -1.25 -5.06 120.51 112.08 1qtt n ALA 57 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 1qtt n ALA 57 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 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 1.39 -0.00 0.00 1.74 -1.26 -4.85 116.66 113.68 1qtt n ARG 58 Ca 0.00 -3.60 -0.18 0.00 -0.77 0.00 0.00 57.85 53.30 1qtt n ARG 58 Cb 0.00 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 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 2.98 0.55 -0.62 5.56 0.13 -1.96 -0.86 132.00 137.78 1qtt h PRO 59 Ca 0.08 -0.53 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1qtt h PRO 59 Cb 0.94 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1qtt h PRO 59 CO 0.56 1.15 0.10 0.66 -0.23 0.00 0.00 178.00 180.24 1qtt h SER 60 N 0.14 0.99 0.49 1.44 4.64 -1.91 1.49 113.55 120.82 1qtt h SER 60 Ca -0.07 -0.26 -0.12 0.00 -0.47 0.00 0.00 61.79 60.87 1qtt h SER 60 Cb 1.36 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1qtt h SER 60 CO 0.14 1.00 -0.54 0.45 -0.87 0.00 0.00 176.83 177.00 1qtt h HIS 61 N 0.94 0.07 0.21 4.77 3.86 -1.89 1.38 115.15 124.50 1qtt h HIS 61 Ca 0.19 -0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 59.05 1qtt h HIS 61 Cb 0.43 -0.01 0.03 0.00 1.06 0.00 0.00 27.41 28.91 1qtt h HIS 61 CO 0.03 0.59 -1.47 1.25 0.86 0.00 0.00 177.93 179.19 1qtt h LEU 62 N 0.04 0.71 0.00 2.43 6.46 -0.62 -2.27 115.31 122.06 1qtt h LEU 62 Ca -0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.96 1qtt h LEU 62 Cb 0.97 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1qtt h LEU 62 CO 0.07 1.63 -0.00 0.25 -0.62 0.00 0.00 178.44 179.77 1qtt h LEU 63 N 0.12 0.00 0.35 2.25 6.46 0.22 -3.42 115.31 121.30 1qtt h LEU 63 Ca -0.24 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1qtt h LEU 63 Cb 2.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.05 1qtt h LEU 63 CO 0.24 0.03 -0.17 0.74 -0.62 0.00 0.00 178.44 178.66 1qtt h THR 64 N -0.06 0.08 -4.76 1.05 2.02 0.14 -3.49 112.91 107.91 1qtt h THR 64 Ca 0.00 -0.68 -0.23 0.00 0.77 0.00 0.00 66.41 66.27 1qtt h THR 64 Cb 0.00 0.14 0.13 0.00 -1.74 0.00 0.00 68.15 66.68 1qtt h THR 64 CO 0.00 0.02 -0.59 -1.54 0.37 0.00 0.00 175.52 173.78 1qtt n SER 65 N -5.09 -3.05 0.07 4.18 3.41 0.14 -4.94 113.62 108.34 1qtt n SER 65 Ca -0.06 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1qtt n SER 65 Cb 0.20 -3.98 0.00 0.00 -0.26 0.00 0.00 64.21 60.18 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 -3.17 0.00 -2.07 4.33 6.02 -1.26 -5.03 117.38 116.20 1qtt n GLN 66 Ca -0.17 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 1qtt n GLN 66 Cb 0.62 -0.17 -0.01 0.00 1.02 0.00 0.00 30.24 31.70 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 -6.39 4.23 1.00 1.08 1.02 -1.26 -5.01 118.68 113.35 1qtt s LEU 67 Ca 0.00 2.64 -0.15 0.00 0.02 0.00 0.00 54.13 56.64 1qtt s LEU 67 Cb 0.00 -3.89 0.20 0.00 0.02 0.00 0.00 46.19 42.51 1qtt s LEU 67 CO 0.00 -0.82 1.18 -2.16 0.02 0.00 0.00 176.35 174.57 1qtt s PRO 68 N -2.21 0.36 0.00 1.29 0.04 -1.26 -4.85 135.00 128.37 1qtt s PRO 68 Ca 0.56 -0.00 0.28 0.00 0.04 0.00 0.00 61.00 61.88 1qtt s PRO 68 Cb -0.38 -1.78 1.11 0.00 0.04 0.00 0.00 34.50 33.49 1qtt s PRO 68 CO 0.49 -2.67 1.79 -0.11 0.04 0.00 0.00 177.00 176.53 1qtt n LEU 69 N -4.03 0.60 -3.64 -3.56 -0.00 -1.26 -4.69 117.00 100.40 1qtt n LEU 69 Ca 0.11 -0.05 -0.05 0.00 -0.00 0.00 0.00 56.01 56.01 1qtt n LEU 69 Cb 0.59 -0.17 -0.07 0.00 -0.00 0.00 0.00 43.42 43.77 1qtt n LEU 69 CO 0.51 0.11 0.96 -0.32 -0.00 0.00 0.00 177.39 178.65 1qtt s MET 70 N -2.49 0.26 0.18 1.96 1.75 -1.26 -3.28 119.30 116.42 1qtt s MET 70 Ca 0.27 0.32 0.06 0.00 -1.25 0.00 0.00 55.69 55.10 1qtt s MET 70 Cb 0.20 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 1qtt s MET 70 CO 0.49 -0.03 0.07 -1.58 -0.65 0.00 0.00 175.02 173.32 1qtt s TRP 71 N 0.20 2.99 -0.31 4.11 0.51 -0.62 -2.99 118.94 122.82 1qtt s TRP 71 Ca 0.04 -0.09 -0.02 0.00 -2.12 0.00 0.00 56.10 53.91 1qtt s TRP 71 Cb -0.05 -1.43 0.11 0.00 -0.81 0.00 0.00 33.47 31.29 1qtt s TRP 71 CO -0.11 0.53 0.14 -1.14 -0.51 0.00 0.00 176.95 175.85 1qtt s GLN 72 N -3.13 0.41 -0.34 4.98 2.00 0.34 -2.56 119.66 121.35 1qtt s GLN 72 Ca 0.30 -0.84 -0.37 0.00 -2.00 0.00 0.00 55.36 52.45 1qtt s GLN 72 Cb -0.09 -1.42 -0.13 0.00 0.80 0.00 0.00 33.01 32.17 1qtt s GLN 72 CO 0.21 -1.05 2.09 -0.11 -0.50 0.00 0.00 175.29 175.94 1qtt n LEU 73 N 4.91 2.08 0.00 3.68 7.94 0.20 0.19 117.00 136.00 1qtt n LEU 73 Ca -0.02 0.59 -0.16 0.00 -1.11 0.00 0.00 56.01 55.31 1qtt n LEU 73 Cb 0.41 -1.20 0.06 0.00 0.53 0.00 0.00 43.42 43.22 1qtt n LEU 73 CO 0.08 -0.65 0.33 -1.22 -1.11 0.00 0.00 177.39 174.82 1qtt n TYR 74 N 8.63 -2.63 -1.53 1.96 4.02 0.74 -4.86 117.16 123.49 1qtt n TYR 74 Ca 0.39 -1.55 -0.29 0.00 -0.01 0.00 0.00 57.90 56.45 1qtt n TYR 74 Cb 0.18 -0.46 0.13 0.00 -0.02 0.00 0.00 39.34 39.17 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 -4.16 1.21 0.00 -0.72 0.04 -1.26 -4.20 135.00 125.91 1qtt s PRO 75 Ca 0.48 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1qtt s PRO 75 Cb -0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1qtt s PRO 75 CO 0.31 -2.15 0.00 -1.91 0.04 0.00 0.00 177.00 173.29 1qtt n GLU 76 N -3.74 0.00 0.00 4.56 4.07 -1.26 -3.85 120.64 120.42 1qtt n GLU 76 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1qtt n GLU 76 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1qtt n GLU 77 N 0.00 0.00 -3.85 5.31 2.13 -1.26 -5.17 120.64 117.80 1qtt n GLU 77 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 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 1.34 -0.15 5.31 0.52 -1.25 -3.21 118.95 121.51 1qtt s ARG 78 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1qtt s ARG 78 Cb 0.00 0.47 -0.01 0.00 0.52 0.00 0.00 34.95 35.93 1qtt s ARG 78 CO 0.00 -0.55 -0.12 0.71 0.02 0.00 0.00 175.30 175.36 1qtt s TYR 79 N -3.92 2.83 -0.26 -0.53 1.51 0.36 -0.18 117.35 117.14 1qtt s TYR 79 Ca 0.13 -0.84 -0.11 0.00 -1.01 0.00 0.00 57.07 55.24 1qtt s TYR 79 Cb 0.00 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1qtt s TYR 79 CO -0.00 -0.36 0.20 1.41 -1.11 0.00 0.00 175.55 175.68 1qtt s MET 80 N 0.71 4.00 0.00 -0.62 -2.45 0.13 0.14 119.30 121.21 1qtt s MET 80 Ca -0.06 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1qtt s MET 80 Cb -0.15 -3.62 0.00 0.00 1.25 0.00 0.00 34.83 32.31 1qtt s MET 80 CO 0.02 -0.11 0.00 -0.40 1.05 0.00 0.00 175.02 175.58 1qtt n ASP 81 N 4.82 -0.47 -0.12 1.11 3.85 -0.47 0.13 116.55 125.39 1qtt n ASP 81 Ca -0.14 -0.65 0.02 0.00 -0.71 0.00 0.00 54.79 53.31 1qtt n ASP 81 Cb 0.52 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.30 1qtt n ASP 81 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1qtt n ASN 82 N -2.65 1.17 -0.07 -1.12 5.15 -1.16 -4.64 115.26 111.94 1qtt n ASN 82 Ca 0.00 -1.08 -0.14 0.00 -0.60 0.00 0.00 54.58 52.76 1qtt n ASN 82 Cb 0.00 0.10 -0.12 0.00 -0.53 0.00 0.00 39.78 39.24 1qtt n ASN 82 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1qtt h ASN 83 N 0.61 0.00 0.00 1.20 -0.73 -1.94 -3.48 115.58 111.23 1qtt h ASN 83 Ca 0.00 -0.84 0.00 0.00 1.87 0.00 0.00 56.30 57.33 1qtt h ASN 83 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1qtt h ASN 83 CO 0.00 1.02 0.00 -0.24 -0.37 0.00 0.00 177.43 177.84 1qtt n SER 84 N -4.60 0.00 -3.82 1.15 2.88 -1.26 -5.17 113.62 102.79 1qtt n SER 84 Ca -0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.33 1qtt n SER 84 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.00 0.89 -0.16 -1.46 0.52 -1.26 -4.99 118.95 112.49 1qtt s ARG 85 Ca 0.00 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1qtt s ARG 85 Cb 0.00 0.36 0.03 0.00 0.52 0.00 0.00 34.95 35.86 1qtt s ARG 85 CO 0.00 -0.30 -0.14 -1.17 0.02 0.00 0.00 175.30 173.72 1qtt s LEU 86 N -2.85 1.87 0.01 2.53 0.20 -1.26 -1.37 118.68 117.80 1qtt s LEU 86 Ca 0.05 -0.60 -0.17 0.00 0.69 0.00 0.00 54.13 54.10 1qtt s LEU 86 Cb 0.04 -1.21 -0.06 0.00 -0.43 0.00 0.00 46.19 44.53 1qtt s LEU 86 CO -0.11 -0.08 0.50 0.26 -0.29 0.00 0.00 176.35 176.63 1qtt s TRP 87 N 1.45 3.72 -0.20 5.38 0.52 0.38 -4.13 118.94 126.06 1qtt s TRP 87 Ca 0.03 1.10 -0.15 0.00 0.02 0.00 0.00 56.10 57.10 1qtt s TRP 87 Cb -0.14 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 1qtt s TRP 87 CO -0.10 0.52 0.36 -1.14 0.02 0.00 0.00 176.95 176.61 1qtt s GLN 88 N -0.73 4.18 -0.76 4.98 0.74 1.07 0.13 119.66 129.26 1qtt s GLN 88 Ca 0.27 0.14 -0.26 0.00 0.05 0.00 0.00 55.36 55.56 1qtt s GLN 88 Cb -0.18 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 1qtt s GLN 88 CO 0.15 0.01 2.16 0.42 -0.55 0.00 0.00 175.29 177.48 1qtt s ILE 89 N 1.17 3.22 0.21 -2.34 -1.09 -1.20 0.39 121.20 121.57 1qtt s ILE 89 Ca 0.18 -0.11 -0.09 0.00 -2.23 0.00 0.00 60.65 58.40 1qtt s ILE 89 Cb -0.14 -3.51 0.15 0.00 -1.58 0.00 0.00 42.46 37.38 1qtt s ILE 89 CO 0.07 -0.48 1.74 -0.61 -1.23 0.00 0.00 174.94 174.43 1qtt h GLN 90 N 13.49 0.40 -1.40 2.79 -0.00 -0.50 -3.45 115.11 126.44 1qtt h GLN 90 Ca -0.04 -0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.70 1qtt h GLN 90 Cb 1.06 -0.09 -0.28 0.00 0.00 0.00 0.00 27.48 28.17 1qtt h GLN 90 CO 1.13 0.26 0.62 -3.38 0.00 0.00 0.00 178.83 177.47 1qtt s HIS 91 N -6.09 -0.31 -0.13 3.99 -3.43 -1.20 -4.97 115.29 103.15 1qtt s HIS 91 Ca -0.13 0.73 -0.03 0.00 -0.80 0.00 0.00 55.06 54.83 1qtt s HIS 91 Cb 0.17 0.42 0.05 0.00 -1.43 0.00 0.00 32.58 31.79 1qtt s HIS 91 CO 0.75 -0.17 0.05 -1.58 -2.00 0.00 0.00 174.74 171.79 1qtt s HIS 92 N -0.02 0.47 0.03 0.38 2.46 -1.26 0.56 115.29 117.91 1qtt s HIS 92 Ca 0.04 -0.30 -0.00 0.00 0.47 0.00 0.00 55.06 55.27 1qtt s HIS 92 Cb -0.04 -0.75 0.00 0.00 -0.13 0.00 0.00 32.58 31.65 1qtt s HIS 92 CO -0.09 -0.43 0.04 1.47 -2.47 0.00 0.00 174.74 173.26 1qtt n LEU 93 N 5.20 0.00 -4.00 8.88 -0.00 -1.14 -4.96 117.00 120.98 1qtt n LEU 93 Ca -0.07 -0.22 -0.23 0.00 -0.00 0.00 0.00 56.01 55.49 1qtt n LEU 93 Cb 0.49 0.22 -0.16 0.00 -0.00 0.00 0.00 43.42 43.96 1qtt n LEU 93 CO 0.10 -0.05 -0.45 -0.32 -0.00 0.00 0.00 177.39 176.66 1qtt s MET 94 N -2.05 1.46 -0.00 1.47 -2.45 -1.26 -1.15 119.30 115.31 1qtt s MET 94 Ca 0.02 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1qtt s MET 94 Cb -0.00 -1.25 -0.01 0.00 1.25 0.00 0.00 34.83 34.82 1qtt s MET 94 CO 0.02 0.02 -0.06 0.08 1.05 0.00 0.00 175.02 176.12 1qtt s VAL 95 N 0.67 0.49 -1.67 10.11 1.01 0.52 -4.80 120.40 126.73 1qtt s VAL 95 Ca -0.13 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1qtt s VAL 95 Cb -0.15 -0.42 0.15 0.00 0.00 0.00 0.00 36.38 35.96 1qtt s VAL 95 CO 0.03 0.12 0.80 0.54 0.00 0.00 0.00 175.10 176.59 1qtt n ARG 96 N 2.88 -3.44 -1.96 2.72 1.74 -1.26 0.19 116.66 117.53 1qtt n ARG 96 Ca -0.13 0.40 -0.15 0.00 -0.77 0.00 0.00 57.85 57.19 1qtt n ARG 96 Cb 0.58 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.83 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 -1.41 0.45 3.03 -0.13 0.00 -1.26 -4.99 105.19 100.88 1qtt n GLY 97 Ca 0.07 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.69 1.02 -0.36 1.61 1.01 0.49 -5.01 120.40 116.47 1qtt s VAL 98 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1qtt s VAL 98 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1qtt s VAL 98 CO 0.00 0.31 0.62 -1.10 0.00 0.00 0.00 175.10 174.93 1qtt s GLN 99 N 0.32 3.67 -0.41 2.72 -0.21 -1.25 0.20 119.66 124.70 1qtt s GLN 99 Ca -0.07 0.02 -0.10 0.00 0.02 0.00 0.00 55.36 55.24 1qtt s GLN 99 Cb -0.12 -3.81 0.06 0.00 1.00 0.00 0.00 33.01 30.15 1qtt s GLN 99 CO 0.02 -0.73 0.25 -2.00 -2.12 0.00 0.00 175.29 170.71 1qtt s GLU 100 N 2.67 2.69 -0.25 2.91 2.12 -0.30 0.70 118.70 129.24 1qtt s GLU 100 Ca 0.24 -1.34 -0.09 0.00 0.36 0.00 0.00 54.97 54.14 1qtt s GLU 100 Cb -0.15 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 1qtt s GLU 100 CO 0.15 -0.88 0.13 -1.17 -0.54 0.00 0.00 175.26 172.95 1qtt s LEU 101 N 1.48 3.86 -0.24 2.70 0.20 0.77 -2.91 118.68 124.54 1qtt s LEU 101 Ca 0.02 -0.02 -0.12 0.00 0.69 0.00 0.00 54.13 54.70 1qtt s LEU 101 Cb -0.22 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 43.45 1qtt s LEU 101 CO 0.04 0.01 0.22 -0.76 -0.29 0.00 0.00 176.35 175.56 1qtt s LEU 102 N 1.38 4.11 -0.13 -0.68 1.43 0.19 0.28 118.68 125.28 1qtt s LEU 102 Ca 0.06 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1qtt s LEU 102 Cb -0.15 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1qtt s LEU 102 CO 0.06 0.02 -0.13 -0.76 0.23 0.00 0.00 176.35 175.78 1qtt s LEU 103 N 1.20 2.75 -0.14 1.79 1.43 -1.03 0.28 118.68 124.97 1qtt s LEU 103 Ca 0.10 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1qtt s LEU 103 Cb -0.14 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1qtt s LEU 103 CO 0.06 0.18 -0.21 -0.75 0.23 0.00 0.00 176.35 175.85 1qtt s LYS 104 N 0.28 3.03 -0.14 1.70 2.47 0.16 0.51 119.74 127.76 1qtt s LYS 104 Ca -0.09 -0.85 -0.06 0.00 -1.56 0.00 0.00 55.97 53.41 1qtt s LYS 104 Cb -0.15 -2.46 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 1qtt s LYS 104 CO 0.05 -0.03 0.09 -1.17 0.16 0.00 0.00 175.35 174.45 1qtt s LEU 105 N 0.85 4.03 0.20 5.43 2.96 0.18 0.35 118.68 132.68 1qtt s LEU 105 Ca -0.06 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1qtt s LEU 105 Cb -0.15 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1qtt s LEU 105 CO -0.03 0.31 -0.14 -1.48 -1.32 0.00 0.00 176.35 173.70 1qtt s LEU 106 N -0.46 2.55 -1.15 -0.68 0.05 -1.26 -3.40 118.68 114.34 1qtt s LEU 106 Ca 0.11 -1.03 -0.19 0.00 0.05 0.00 0.00 54.13 53.07 1qtt s LEU 106 Cb -0.12 -0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 43.34 1qtt s LEU 106 CO 0.02 -0.20 1.98 -0.81 -0.55 0.00 0.00 176.35 176.79 1qtt n PRO 107 N -0.37 2.24 -3.18 1.48 -0.04 -1.26 -4.58 135.00 129.29 1qtt n PRO 107 Ca -0.08 -2.45 -0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1qtt n PRO 107 Cb 0.60 -3.29 -0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1qtt n PRO 107 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qtt n ASP 108 N 8.52 -6.65 -4.46 3.54 2.03 -1.26 -4.48 116.55 113.79 1qtt n ASP 108 Ca 0.49 0.45 -0.64 0.00 0.52 0.00 0.00 54.79 55.61 1qtt n ASP 108 Cb 0.42 -1.59 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 1qtt n ASP 108 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1qtt n ASP 109 N 1.38 1.12 -3.41 1.67 5.68 -1.26 -4.60 116.55 117.13 1qtt n ASP 109 Ca -0.00 1.10 -0.45 0.00 -0.50 0.00 0.00 54.79 54.94 1qtt n ASP 109 Cb 0.46 -0.83 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1qtt n ASP 109 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1qtt n ARG 110 N 3.94 0.00 -1.66 0.11 1.74 -1.26 -4.71 116.66 114.82 1qtt n ARG 110 Ca 0.30 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.92 1qtt n ARG 110 Cb -0.06 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 1qtt n ARG 110 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1qtt n SER 111 N 1.22 2.78 -4.76 0.55 2.88 -1.26 -4.92 113.62 110.11 1qtt n SER 111 Ca 0.16 1.10 -0.39 0.00 -1.33 0.00 0.00 58.87 58.40 1qtt n SER 111 Cb 0.06 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.08 1qtt n SER 111 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1qtt s PRO 112 N 0.54 4.54 -0.02 -1.46 0.04 -1.26 -5.05 135.00 132.33 1qtt s PRO 112 Ca 0.77 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1qtt s PRO 112 Cb -0.71 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1qtt s PRO 112 CO 0.42 0.15 -0.10 0.20 0.04 0.00 0.00 177.00 177.72 1qtt s GLY 113 N -1.07 0.55 -0.51 0.56 0.00 -1.26 -5.07 107.32 100.51 1qtt s GLY 113 Ca 0.47 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.56 1qtt s GLY 113 CO 0.37 -0.15 2.36 -1.50 0.00 0.00 0.00 173.10 174.19 1qtt s ILE 114 N 0.11 3.04 -0.39 0.90 2.07 -1.26 -4.90 121.20 120.78 1qtt s ILE 114 Ca -0.02 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.02 1qtt s ILE 114 Cb -0.08 -3.10 0.01 0.00 0.13 0.00 0.00 42.46 39.42 1qtt s ILE 114 CO 0.00 -0.10 0.75 -1.38 -1.91 0.00 0.00 174.94 172.30 1qtt s HIS 115 N 12.01 3.08 -0.15 3.50 -3.43 -1.26 -4.59 115.29 124.46 1qtt s HIS 115 Ca 0.95 0.37 -0.09 0.00 -0.80 0.00 0.00 55.06 55.49 1qtt s HIS 115 Cb -0.16 -3.42 0.03 0.00 -1.43 0.00 0.00 32.58 27.60 1qtt s HIS 115 CO 0.25 -0.79 0.18 -2.13 -2.00 0.00 0.00 174.74 170.25 1qtt n ARG 116 N 6.42 -3.47 -0.53 -0.38 0.00 -1.26 -5.34 116.66 112.09 1qtt n ARG 116 Ca 0.02 2.73 0.00 0.00 -0.00 0.00 0.00 57.85 60.60 1qtt n ARG 116 Cb 0.48 -4.14 0.00 0.00 0.00 0.00 0.00 32.46 28.80 1qtt n ARG 116 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38