#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 -5.98 0.00 1.61 7.64 -1.26 -5.09 113.62 110.54 1qtt n SER 2 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1qtt n SER 2 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1qtt n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1qtt n MET 3 N 1.08 0.00 -3.45 1.43 0.00 -1.26 -5.18 117.12 109.75 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 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 0.00 -1.65 0.00 -5.12 0.00 -1.26 -5.16 121.76 108.57 1qtt s ALA 4 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1qtt s ALA 4 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1qtt s ALA 4 CO 0.00 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1qtt n GLY 5 N -0.03 3.11 3.54 0.00 0.00 -1.26 -5.16 105.19 105.39 1qtt n GLY 5 Ca -0.17 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1qtt n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qtt s GLU 6 N -4.29 0.66 0.04 1.61 1.03 -1.26 -5.17 118.70 111.31 1qtt s GLU 6 Ca 0.00 -0.12 0.08 0.00 0.03 0.00 0.00 54.97 54.96 1qtt s GLU 6 Cb 0.00 0.31 -0.02 0.00 -0.80 0.00 0.00 34.13 33.61 1qtt s GLU 6 CO 0.00 -0.26 -0.22 -0.51 -1.33 0.00 0.00 175.26 172.93 1qtt s ASP 7 N -1.97 2.65 1.08 0.83 1.11 -1.26 -4.88 116.67 114.22 1qtt s ASP 7 Ca 0.03 -0.52 -0.15 0.00 0.18 0.00 0.00 52.55 52.09 1qtt s ASP 7 Cb -0.01 -0.24 0.14 0.00 1.07 0.00 0.00 42.92 43.89 1qtt s ASP 7 CO -0.05 0.20 0.46 0.52 1.18 0.00 0.00 175.17 177.48 1qtt n VAL 8 N 1.93 0.00 -0.02 -1.27 0.31 -1.26 -4.98 118.33 113.04 1qtt n VAL 8 Ca -0.17 -0.28 -0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1qtt n VAL 8 Cb 0.53 -0.74 -0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.09 -0.03 -5.03 2.92 0.00 -2.00 -3.49 103.07 93.35 1qtt h GLY 9 Ca -0.52 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1qtt h GLY 9 CO 0.40 -0.01 0.12 0.00 0.00 0.00 0.00 176.54 177.05 1qtt s ALA 10 N -2.78 -1.82 1.00 3.60 0.00 -1.26 -5.18 121.76 115.32 1qtt s ALA 10 Ca -0.00 2.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.93 1qtt s ALA 10 Cb 0.00 -1.26 0.19 0.00 0.00 0.00 0.00 23.12 22.05 1qtt s ALA 10 CO 0.01 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 175.36 1qtt s PRO 11 N 0.69 0.41 -0.93 0.00 0.04 -1.26 -4.92 135.00 129.02 1qtt s PRO 11 Ca -0.02 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.78 1qtt s PRO 11 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO -0.05 -2.64 1.68 -1.25 0.04 0.00 0.00 177.00 174.79 1qtt s PRO 12 N -5.48 3.06 0.56 0.56 0.04 -1.26 -4.80 135.00 127.69 1qtt s PRO 12 Ca 0.68 -0.63 0.48 0.00 0.04 0.00 0.00 61.00 61.57 1qtt s PRO 12 Cb -0.10 -5.12 1.65 0.00 0.04 0.00 0.00 34.50 30.96 1qtt s PRO 12 CO 0.54 -2.75 1.56 0.22 0.04 0.00 0.00 177.00 176.60 1qtt h ASP 13 N 10.72 0.00 -4.91 6.66 3.58 -1.95 -3.39 116.42 127.13 1qtt h ASP 13 Ca 0.11 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 1qtt h ASP 13 Cb 1.02 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.86 1qtt h ASP 13 CO 1.31 0.00 -0.21 -1.38 -2.88 0.00 0.00 179.24 176.08 1qtt s HIS 14 N -4.82 -0.26 0.05 0.28 -3.43 -1.26 0.83 115.29 106.67 1qtt s HIS 14 Ca -0.05 0.43 0.05 0.00 -0.80 0.00 0.00 55.06 54.70 1qtt s HIS 14 Cb 0.25 0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 1qtt s HIS 14 CO 0.85 -0.41 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.52 1qtt s LEU 15 N -1.20 2.19 -0.19 5.38 1.43 -1.11 -3.73 118.68 121.44 1qtt s LEU 15 Ca -0.12 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1qtt s LEU 15 Cb -0.04 -0.65 0.06 0.00 0.03 0.00 0.00 46.19 45.59 1qtt s LEU 15 CO 0.05 0.03 -0.00 0.26 0.23 0.00 0.00 176.35 176.92 1qtt s TRP 16 N -0.92 1.45 -0.16 0.29 0.51 0.24 -1.81 118.94 118.54 1qtt s TRP 16 Ca 0.02 -1.08 -0.29 0.00 -2.12 0.00 0.00 56.10 52.63 1qtt s TRP 16 Cb -0.08 -1.20 -0.03 0.00 -0.81 0.00 0.00 33.47 31.35 1qtt s TRP 16 CO 0.02 -0.64 1.46 0.54 -0.51 0.00 0.00 176.95 177.81 1qtt s VAL 17 N 1.71 3.94 -0.06 4.03 0.11 -1.06 0.20 120.40 129.28 1qtt s VAL 17 Ca -0.02 1.11 0.03 0.00 -2.93 0.00 0.00 61.98 60.17 1qtt s VAL 17 Cb -0.17 -3.80 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1qtt s VAL 17 CO -0.07 -0.19 -0.01 1.57 -3.33 0.00 0.00 175.10 173.07 1qtt n HIS 18 N 7.29 0.00 -4.37 1.54 -0.00 -1.22 -4.94 115.22 113.52 1qtt n HIS 18 Ca 0.16 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.15 1qtt n HIS 18 Cb 0.45 -0.25 -0.10 0.00 -0.12 0.00 0.00 29.99 29.96 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 -2.13 1.40 -0.23 1.57 -0.21 -1.26 -4.18 119.66 114.62 1qtt s GLN 19 Ca -0.05 -1.65 -0.33 0.00 0.02 0.00 0.00 55.36 53.35 1qtt s GLN 19 Cb 0.02 -1.17 -0.10 0.00 1.00 0.00 0.00 33.01 32.76 1qtt s GLN 19 CO 0.19 0.16 2.10 -1.91 -2.12 0.00 0.00 175.29 173.71 1qtt n GLU 20 N -0.44 1.66 -1.66 2.91 2.13 -1.26 0.68 120.64 124.67 1qtt n GLU 20 Ca -0.07 0.52 -0.11 0.00 0.66 0.00 0.00 57.16 58.16 1qtt n GLU 20 Cb 0.61 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.56 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 5.63 0.74 3.40 8.31 0.00 -1.26 -4.91 105.19 117.10 1qtt n GLY 21 Ca 0.32 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.46 2.14 -0.03 -0.61 1.09 0.22 0.25 121.20 121.79 1qtt s ILE 22 Ca 0.00 -2.16 -0.17 0.00 -1.10 0.00 0.00 60.65 57.22 1qtt s ILE 22 Cb 0.00 -2.09 0.03 0.00 -1.06 0.00 0.00 42.46 39.34 1qtt s ILE 22 CO 0.00 -0.35 0.37 -0.31 -0.10 0.00 0.00 174.94 174.54 1qtt s TYR 23 N -2.29 -0.26 -0.16 3.97 2.02 0.52 -3.36 117.35 117.78 1qtt s TYR 23 Ca 0.23 0.43 -0.06 0.00 -0.37 0.00 0.00 57.07 57.31 1qtt s TYR 23 Cb -0.05 0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 1qtt s TYR 23 CO 0.10 -0.41 0.02 0.50 -1.57 0.00 0.00 175.55 174.20 1qtt s ARG 24 N -1.21 3.77 0.97 -0.62 3.52 0.55 0.34 118.95 126.27 1qtt s ARG 24 Ca -0.12 -0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 54.92 1qtt s ARG 24 Cb -0.04 -3.07 0.22 0.00 -1.56 0.00 0.00 34.95 30.49 1qtt s ARG 24 CO 0.05 0.32 1.32 0.34 -0.81 0.00 0.00 175.30 176.51 1qtt s ASP 25 N 0.21 2.95 -0.12 -2.12 3.68 0.37 -0.59 116.67 121.06 1qtt s ASP 25 Ca 0.02 0.07 0.12 0.00 2.13 0.00 0.00 52.55 54.88 1qtt s ASP 25 Cb -0.13 -0.04 0.55 0.00 -1.45 0.00 0.00 42.92 41.85 1qtt s ASP 25 CO 0.01 -2.82 1.39 1.21 0.13 0.00 0.00 175.17 175.10 1qtt n GLU 26 N -3.76 3.30 -1.31 4.34 2.13 -1.24 -3.86 120.64 120.24 1qtt n GLU 26 Ca 0.17 -2.15 0.03 0.00 0.66 0.00 0.00 57.16 55.87 1qtt n GLU 26 Cb 0.59 -1.85 0.01 0.00 0.27 0.00 0.00 31.44 30.47 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 0.64 0.00 -3.08 4.31 4.01 -1.26 -4.99 117.16 116.79 1qtt n TYR 27 Ca 0.19 -0.42 -0.13 0.00 -0.16 0.00 0.00 57.90 57.38 1qtt n TYR 27 Cb 0.78 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.40 -4.94 -3.95 -0.72 3.00 -1.25 -5.02 117.38 104.89 1qtt n GLN 28 Ca 0.04 0.61 -0.29 0.00 -0.01 0.00 0.00 57.00 57.34 1qtt n GLN 28 Cb 1.06 -4.91 -0.16 0.00 0.00 0.00 0.00 30.24 26.22 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1qtt s ARG 29 N -5.17 1.82 0.10 -1.09 1.81 -1.26 -4.94 118.95 110.23 1qtt s ARG 29 Ca 0.08 -0.54 -0.30 0.00 -1.72 0.00 0.00 55.73 53.26 1qtt s ARG 29 Cb -0.04 -2.03 -0.06 0.00 -0.45 0.00 0.00 34.95 32.37 1qtt s ARG 29 CO 0.52 -0.34 0.94 0.95 -0.68 0.00 0.00 175.30 176.70 1qtt s THR 30 N 1.56 4.53 0.12 0.02 -4.23 -1.26 0.14 115.64 116.53 1qtt s THR 30 Ca 0.02 2.03 0.09 0.00 -1.18 0.00 0.00 61.69 62.66 1qtt s THR 30 Cb -0.14 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 69.35 1qtt s THR 30 CO -0.09 0.32 -0.19 0.26 -0.54 0.00 0.00 174.62 174.38 1qtt s TRP 31 N 0.03 2.50 -0.34 3.99 0.52 1.03 -2.49 118.94 124.17 1qtt s TRP 31 Ca 0.46 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.31 1qtt s TRP 31 Cb -0.23 -1.32 0.09 0.00 -1.15 0.00 0.00 33.47 30.86 1qtt s TRP 31 CO 0.29 0.39 0.06 0.08 0.02 0.00 0.00 176.95 177.80 1qtt s VAL 32 N -1.18 2.72 -0.39 4.03 1.01 0.51 0.19 120.40 127.29 1qtt s VAL 32 Ca 0.18 -1.96 -0.24 0.00 0.00 0.00 0.00 61.98 59.96 1qtt s VAL 32 Cb -0.10 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1qtt s VAL 32 CO 0.10 -0.45 0.81 0.00 0.00 0.00 0.00 175.10 175.56 1qtt s ALA 33 N 1.07 3.37 -1.07 5.51 0.00 0.70 0.24 121.76 131.59 1qtt s ALA 33 Ca 0.04 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1qtt s ALA 33 Cb -0.20 -3.43 0.27 0.00 0.00 0.00 0.00 23.12 19.75 1qtt s ALA 33 CO -0.05 -1.66 1.06 0.08 0.00 0.00 0.00 175.76 175.19 1qtt s VAL 34 N 3.24 5.94 -0.40 0.00 1.01 0.50 -4.33 120.40 126.37 1qtt s VAL 34 Ca 0.32 -3.28 -0.40 0.00 0.00 0.00 0.00 61.98 58.62 1qtt s VAL 34 Cb -0.12 -4.58 -0.15 0.00 0.00 0.00 0.00 36.38 31.52 1qtt s VAL 34 CO 0.19 -1.16 2.08 0.55 0.00 0.00 0.00 175.10 176.76 1qtt n VAL 35 N 2.89 0.13 -3.92 2.92 3.14 -1.26 -3.03 118.33 119.20 1qtt n VAL 35 Ca 0.22 -0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 61.17 1qtt n VAL 35 Cb 0.40 -1.11 -0.13 0.00 -1.06 0.00 0.00 33.84 31.94 1qtt n VAL 35 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1qtt s GLU 36 N 5.58 2.02 -0.63 1.45 2.12 0.32 -4.96 118.70 124.61 1qtt s GLU 36 Ca 1.11 -2.54 -0.27 0.00 0.36 0.00 0.00 54.97 53.64 1qtt s GLU 36 Cb -1.16 -3.38 -0.11 0.00 0.26 0.00 0.00 34.13 29.75 1qtt s GLU 36 CO 0.59 -1.10 2.47 -1.91 -0.54 0.00 0.00 175.26 174.77 1qtt n GLU 37 N 3.28 0.77 -0.62 4.30 2.13 -1.26 -2.99 120.64 126.25 1qtt n GLU 37 Ca 0.05 -0.07 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 1qtt n GLU 37 Cb 0.34 -3.02 0.19 0.00 0.27 0.00 0.00 31.44 29.22 1qtt n GLU 37 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1qtt n GLU 38 N 8.82 -1.40 -0.33 5.31 -0.58 0.64 -4.83 120.64 128.28 1qtt n GLU 38 Ca 0.44 -0.37 0.20 0.00 -0.42 0.00 0.00 57.16 57.02 1qtt n GLU 38 Cb 0.43 -2.08 0.45 0.00 -0.57 0.00 0.00 31.44 29.67 1qtt n GLU 38 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1qtt h THR 39 N -2.17 0.55 -0.14 2.62 2.02 -2.04 -3.12 112.91 110.63 1qtt h THR 39 Ca -0.52 -0.17 -0.19 0.00 0.77 0.00 0.00 66.41 66.31 1qtt h THR 39 Cb 1.31 0.02 -0.25 0.00 -1.74 0.00 0.00 68.15 67.49 1qtt h THR 39 CO 0.42 0.09 -0.61 -0.24 0.37 0.00 0.00 175.52 175.55 1qtt n SER 40 N -4.72 -0.23 -3.30 4.18 2.88 -1.26 -5.12 113.62 106.05 1qtt n SER 40 Ca 0.26 -2.11 -0.10 0.00 -1.33 0.00 0.00 58.87 55.59 1qtt n SER 40 Cb 0.81 0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 64.44 1qtt n SER 40 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1qtt s PHE 41 N -1.15 0.30 -0.31 0.66 0.40 -1.18 -5.03 117.98 111.67 1qtt s PHE 41 Ca 0.16 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1qtt s PHE 41 Cb 0.35 0.54 0.08 0.00 0.51 0.00 0.00 43.02 44.49 1qtt s PHE 41 CO -0.09 -1.35 -0.02 -0.51 0.70 0.00 0.00 175.22 173.96 1qtt s LEU 42 N -3.07 4.22 -0.10 -0.37 2.01 -1.22 -0.26 118.68 119.89 1qtt s LEU 42 Ca 0.19 -1.83 0.01 0.00 0.01 0.00 0.00 54.13 52.51 1qtt s LEU 42 Cb -0.04 -1.60 -0.02 0.00 0.01 0.00 0.00 46.19 44.54 1qtt s LEU 42 CO 0.12 -0.30 -0.13 -0.60 1.01 0.00 0.00 176.35 176.45 1qtt s ARG 43 N 0.99 3.06 -0.51 1.70 3.52 -1.16 0.98 118.95 127.53 1qtt s ARG 43 Ca 0.02 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1qtt s ARG 43 Cb -0.19 -2.54 0.13 0.00 -1.56 0.00 0.00 34.95 30.78 1qtt s ARG 43 CO -0.07 0.37 0.26 0.00 -0.81 0.00 0.00 175.30 175.05 1qtt s ALA 44 N -0.06 3.17 -0.27 6.12 0.00 0.38 0.12 121.76 131.21 1qtt s ALA 44 Ca -0.02 -3.20 -0.28 0.00 0.00 0.00 0.00 51.96 48.46 1qtt s ALA 44 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1qtt s ALA 44 CO 0.04 -2.03 1.97 0.50 0.00 0.00 0.00 175.76 176.24 1qtt s ARG 45 N -0.22 3.28 -0.31 0.00 3.52 -1.17 -2.46 118.95 121.58 1qtt s ARG 45 Ca 0.17 1.70 -0.13 0.00 -0.13 0.00 0.00 55.73 57.34 1qtt s ARG 45 Cb -0.26 -4.26 -0.03 0.00 -1.56 0.00 0.00 34.95 28.84 1qtt s ARG 45 CO -0.00 -1.93 0.27 0.08 -0.81 0.00 0.00 175.30 172.91 1qtt s VAL 46 N 7.38 5.26 -0.11 7.11 1.01 0.72 0.19 120.40 141.96 1qtt s VAL 46 Ca 0.88 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1qtt s VAL 46 Cb -0.27 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1qtt s VAL 46 CO 0.34 0.07 -0.08 -1.58 0.00 0.00 0.00 175.10 173.86 1qtt s GLN 47 N 1.84 3.17 -0.22 2.72 0.74 0.14 0.31 119.66 128.35 1qtt s GLN 47 Ca 0.09 -0.58 -0.17 0.00 0.05 0.00 0.00 55.36 54.75 1qtt s GLN 47 Cb -0.17 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 1qtt s GLN 47 CO 0.11 0.43 0.47 -1.14 -0.55 0.00 0.00 175.29 174.61 1qtt s GLN 48 N -0.18 4.14 0.16 1.67 2.00 0.27 0.19 119.66 127.92 1qtt s GLN 48 Ca 0.02 0.30 -0.09 0.00 -2.00 0.00 0.00 55.36 53.58 1qtt s GLN 48 Cb -0.13 -3.58 -0.01 0.00 0.80 0.00 0.00 33.01 30.09 1qtt s GLN 48 CO 0.03 -0.17 0.29 0.96 -0.50 0.00 0.00 175.29 175.90 1qtt s ILE 49 N 1.71 0.06 -1.11 -2.34 -0.00 -1.04 -3.78 121.20 114.71 1qtt s ILE 49 Ca 0.21 -1.37 -0.12 0.00 -0.00 0.00 0.00 60.65 59.37 1qtt s ILE 49 Cb -0.15 -1.83 0.22 0.00 -0.00 0.00 0.00 42.46 40.69 1qtt s ILE 49 CO 0.09 -0.29 1.21 -1.10 -0.00 0.00 0.00 174.94 174.85 1qtt s GLN 50 N -3.96 4.05 -0.03 0.37 1.11 -1.26 -4.07 119.66 115.87 1qtt s GLN 50 Ca 0.17 -2.75 0.03 0.00 0.01 0.00 0.00 55.36 52.82 1qtt s GLN 50 Cb 0.03 -4.79 -0.00 0.00 -1.01 0.00 0.00 33.01 27.24 1qtt s GLN 50 CO -0.00 -1.51 -0.12 0.14 0.01 0.00 0.00 175.29 173.80 1qtt s VAL 51 N 0.40 1.03 0.50 1.09 -7.23 -1.26 -5.12 120.40 109.81 1qtt s VAL 51 Ca 0.35 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.81 1qtt s VAL 51 Cb -0.07 -0.89 -0.08 0.00 0.56 0.00 0.00 36.38 35.90 1qtt s VAL 51 CO -0.05 0.31 1.04 -2.16 -0.31 0.00 0.00 175.10 173.92 1qtt s PRO 52 N 0.03 3.77 -0.35 4.82 0.04 -1.26 -4.71 135.00 137.34 1qtt s PRO 52 Ca -0.01 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 1qtt s PRO 52 Cb -0.09 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1qtt s PRO 52 CO 0.01 -0.45 1.44 -0.51 0.04 0.00 0.00 177.00 177.53 1qtt s LEU 53 N -3.58 3.71 0.00 -3.56 2.01 -1.26 -4.96 118.68 111.03 1qtt s LEU 53 Ca 0.67 1.09 0.00 0.00 0.01 0.00 0.00 54.13 55.90 1qtt s LEU 53 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.50 1qtt s LEU 53 CO 0.22 -1.33 0.00 0.61 1.01 0.00 0.00 176.35 176.85 1qtt n GLY 54 N 4.83 0.02 1.50 -3.19 0.00 -1.26 -4.97 105.19 102.12 1qtt n GLY 54 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.63 -2.74 1.61 5.75 -1.26 -5.06 116.55 114.22 1qtt n ASP 55 Ca 0.00 -1.00 -0.09 0.00 -0.01 0.00 0.00 54.79 53.69 1qtt n ASP 55 Cb 0.00 -0.41 0.08 0.00 -1.03 0.00 0.00 41.12 39.76 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qtt n ALA 56 N -3.53 -0.99 -3.00 2.12 0.00 -1.26 -4.58 120.51 109.26 1qtt n ALA 56 Ca -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1qtt n ALA 56 Cb 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.81 0.00 -3.11 0.00 0.00 -1.26 -5.08 120.51 111.87 1qtt n ALA 57 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1qtt n ALA 57 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 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 1.70 0.00 0.00 1.74 -1.26 -4.92 116.66 113.92 1qtt n ARG 58 Ca 0.00 -3.86 0.00 0.00 -0.77 0.00 0.00 57.85 53.22 1qtt n ARG 58 Cb 0.00 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.11 0.00 -0.56 5.56 -0.04 -1.26 -2.60 135.00 136.21 1qtt n PRO 59 Ca 0.27 0.00 0.45 0.00 -0.04 0.00 0.00 63.50 64.18 1qtt n PRO 59 Cb 0.57 -0.29 0.74 0.00 -0.04 0.00 0.00 33.50 34.47 1qtt n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qtt h SER 60 N 0.00 0.12 -0.11 3.54 0.87 -1.90 1.79 113.55 117.86 1qtt h SER 60 Ca 0.00 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1qtt h SER 60 Cb 0.00 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1qtt h SER 60 CO 0.00 -0.14 -0.01 0.45 -0.53 0.00 0.00 176.83 176.60 1qtt h HIS 61 N 0.02 -0.02 -0.33 2.24 3.86 -1.93 0.48 115.15 119.47 1qtt h HIS 61 Ca 0.89 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 60.11 1qtt h HIS 61 Cb 3.15 0.03 0.00 0.00 1.06 0.00 0.00 27.41 31.65 1qtt h HIS 61 CO -0.00 -0.02 0.00 1.28 0.86 0.00 0.00 177.93 180.04 1qtt n LEU 62 N -5.12 2.87 -0.52 2.43 4.77 0.50 -0.90 117.00 121.03 1qtt n LEU 62 Ca -0.04 -1.24 0.05 0.00 -0.03 0.00 0.00 56.01 54.75 1qtt n LEU 62 Cb 0.07 -0.21 0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1qtt n LEU 62 CO 0.29 0.62 0.51 0.18 -1.33 0.00 0.00 177.39 177.67 1qtt n LEU 63 N 1.11 2.35 0.14 2.23 4.77 0.47 -4.81 117.00 123.27 1qtt n LEU 63 Ca 0.18 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1qtt n LEU 63 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1qtt n LEU 63 CO 0.15 0.53 0.00 0.41 -1.33 0.00 0.00 177.39 177.14 1qtt n THR 64 N 0.56 0.00 -3.32 -5.08 -1.04 0.16 -4.88 114.28 100.67 1qtt n THR 64 Ca 0.09 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.91 1qtt n THR 64 Cb 0.34 -0.12 0.06 0.00 -1.82 0.00 0.00 70.33 68.79 1qtt n THR 64 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1qtt n SER 65 N -3.13 -5.42 0.06 8.00 3.41 -0.08 -4.90 113.62 111.56 1qtt n SER 65 Ca 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1qtt n SER 65 Cb 0.00 -4.03 0.00 0.00 -0.26 0.00 0.00 64.21 59.92 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 -3.97 0.00 -2.16 4.33 1.13 -1.26 -5.05 117.38 110.39 1qtt n GLN 66 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 1qtt n GLN 66 Cb 0.55 -0.43 -0.02 0.00 0.11 0.00 0.00 30.24 30.45 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1qtt s LEU 67 N -6.93 4.43 0.85 1.08 1.02 -1.26 -5.01 118.68 112.86 1qtt s LEU 67 Ca 0.00 2.63 -0.12 0.00 0.02 0.00 0.00 54.13 56.66 1qtt s LEU 67 Cb 0.00 -3.66 0.10 0.00 0.02 0.00 0.00 46.19 42.65 1qtt s LEU 67 CO 0.00 -0.50 1.12 -2.16 0.02 0.00 0.00 176.35 174.83 1qtt s PRO 68 N -1.77 1.66 0.23 1.29 0.04 -1.26 -4.94 135.00 130.25 1qtt s PRO 68 Ca 0.49 0.48 0.25 0.00 0.04 0.00 0.00 61.00 62.25 1qtt s PRO 68 Cb -0.39 -1.88 0.90 0.00 0.04 0.00 0.00 34.50 33.17 1qtt s PRO 68 CO 0.51 -1.88 1.75 -0.11 0.04 0.00 0.00 177.00 177.31 1qtt n LEU 69 N -3.58 0.74 -3.62 -3.56 -0.00 -1.26 -4.70 117.00 101.01 1qtt n LEU 69 Ca 0.07 0.62 -0.12 0.00 -0.00 0.00 0.00 56.01 56.58 1qtt n LEU 69 Cb 0.58 -0.44 -0.07 0.00 -0.00 0.00 0.00 43.42 43.49 1qtt n LEU 69 CO 0.57 -0.36 0.60 -0.32 -0.00 0.00 0.00 177.39 177.88 1qtt s MET 70 N -3.20 0.69 0.18 1.96 1.75 -1.26 -2.57 119.30 116.86 1qtt s MET 70 Ca 0.08 0.69 0.06 0.00 -1.25 0.00 0.00 55.69 55.26 1qtt s MET 70 Cb 0.11 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 1qtt s MET 70 CO 0.50 -0.11 0.10 -1.58 -0.65 0.00 0.00 175.02 173.28 1qtt s TRP 71 N 0.06 3.04 -0.31 4.11 0.51 -0.75 -3.66 118.94 121.94 1qtt s TRP 71 Ca 0.00 -0.07 -0.02 0.00 -2.12 0.00 0.00 56.10 53.89 1qtt s TRP 71 Cb -0.04 -1.45 0.10 0.00 -0.81 0.00 0.00 33.47 31.28 1qtt s TRP 71 CO -0.01 0.52 0.12 -1.14 -0.51 0.00 0.00 176.95 175.93 1qtt s GLN 72 N -3.19 0.53 -0.25 4.98 2.00 0.22 -2.77 119.66 121.18 1qtt s GLN 72 Ca 0.30 -0.93 -0.36 0.00 -2.00 0.00 0.00 55.36 52.37 1qtt s GLN 72 Cb -0.09 -1.65 -0.13 0.00 0.80 0.00 0.00 33.01 31.94 1qtt s GLN 72 CO 0.22 -1.02 1.97 -0.11 -0.50 0.00 0.00 175.29 175.85 1qtt n LEU 73 N 4.89 2.61 0.00 3.68 7.94 0.24 0.88 117.00 137.25 1qtt n LEU 73 Ca -0.02 0.78 -0.16 0.00 -1.11 0.00 0.00 56.01 55.50 1qtt n LEU 73 Cb 0.41 -1.26 0.04 0.00 0.53 0.00 0.00 43.42 43.15 1qtt n LEU 73 CO 0.09 -0.44 0.25 -1.22 -1.11 0.00 0.00 177.39 174.96 1qtt n TYR 74 N 7.59 -2.22 -1.52 1.96 4.02 0.10 -4.83 117.16 122.26 1qtt n TYR 74 Ca 0.31 -1.65 -0.30 0.00 -0.01 0.00 0.00 57.90 56.25 1qtt n TYR 74 Cb 0.22 -0.41 0.22 0.00 -0.02 0.00 0.00 39.34 39.35 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 -3.98 -0.50 0.00 -0.72 0.04 -1.26 -4.23 135.00 124.35 1qtt s PRO 75 Ca 0.44 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1qtt s PRO 75 Cb -0.03 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1qtt s PRO 75 CO 0.28 -3.19 0.00 0.39 0.04 0.00 0.00 177.00 174.52 1qtt n GLU 76 N -4.33 0.00 0.00 4.56 -0.58 -1.26 -3.43 120.64 115.60 1qtt n GLU 76 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1qtt n GLU 76 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1qtt n GLU 77 N 0.00 0.00 -3.52 3.49 2.13 -1.26 -5.16 120.64 116.32 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 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 1.20 -0.21 5.31 0.52 -1.22 -3.11 118.95 121.44 1qtt s ARG 78 Ca 0.00 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1qtt s ARG 78 Cb 0.00 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 36.00 1qtt s ARG 78 CO 0.00 -0.50 -0.04 0.71 0.02 0.00 0.00 175.30 175.49 1qtt s TYR 79 N -3.78 2.96 -0.25 -0.53 1.51 0.29 0.02 117.35 117.57 1qtt s TYR 79 Ca 0.02 -0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 55.10 1qtt s TYR 79 Cb 0.00 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1qtt s TYR 79 CO -0.12 -0.47 0.40 1.41 -1.11 0.00 0.00 175.55 175.66 1qtt s MET 80 N 1.33 4.06 0.29 -0.62 -2.45 0.26 0.49 119.30 122.65 1qtt s MET 80 Ca 0.04 0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.57 1qtt s MET 80 Cb -0.14 -3.63 0.06 0.00 1.25 0.00 0.00 34.83 32.37 1qtt s MET 80 CO -0.02 -0.23 0.39 -0.40 1.05 0.00 0.00 175.02 175.81 1qtt n ASP 81 N 5.17 0.29 -0.51 1.11 3.85 -0.58 0.72 116.55 126.60 1qtt n ASP 81 Ca -0.08 -1.30 0.06 0.00 -0.71 0.00 0.00 54.79 52.77 1qtt n ASP 81 Cb 0.51 -0.28 0.06 0.00 -1.35 0.00 0.00 41.12 40.06 1qtt n ASP 81 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1qtt n ASN 82 N -3.11 2.10 -0.07 -1.12 0.23 -1.24 -4.30 115.26 107.75 1qtt n ASN 82 Ca 0.06 -1.55 0.15 0.00 -0.53 0.00 0.00 54.58 52.71 1qtt n ASN 82 Cb 0.20 -0.02 0.77 0.00 -2.08 0.00 0.00 39.78 38.65 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1qtt n ASN 83 N 0.70 0.26 -0.19 0.53 2.85 -1.26 -4.86 115.26 113.28 1qtt n ASN 83 Ca 0.08 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.86 1qtt n ASN 83 Cb 0.32 -0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.24 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qtt n SER 84 N -0.97 -0.95 -4.01 1.20 2.88 -1.26 -5.09 113.62 105.42 1qtt n SER 84 Ca 0.18 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1qtt n SER 84 Cb 0.21 -0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 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 -2.82 0.54 -0.18 -1.46 0.52 -1.26 -5.05 118.95 109.24 1qtt s ARG 85 Ca 0.00 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1qtt s ARG 85 Cb 0.00 0.20 0.02 0.00 0.52 0.00 0.00 34.95 35.69 1qtt s ARG 85 CO 0.00 -0.11 -0.19 -1.17 0.02 0.00 0.00 175.30 173.85 1qtt s LEU 86 N -2.37 2.15 -0.06 2.53 0.20 -1.26 -1.52 118.68 118.35 1qtt s LEU 86 Ca -0.02 -0.67 -0.14 0.00 0.69 0.00 0.00 54.13 53.99 1qtt s LEU 86 Cb 0.01 -1.45 -0.05 0.00 -0.43 0.00 0.00 46.19 44.27 1qtt s LEU 86 CO -0.07 -0.02 0.37 0.26 -0.29 0.00 0.00 176.35 176.61 1qtt s TRP 87 N 1.30 3.63 -0.23 5.38 0.52 0.18 -4.05 118.94 125.67 1qtt s TRP 87 Ca 0.04 0.86 -0.16 0.00 0.02 0.00 0.00 56.10 56.86 1qtt s TRP 87 Cb -0.13 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.84 1qtt s TRP 87 CO -0.12 0.49 0.41 -1.14 0.02 0.00 0.00 176.95 176.60 1qtt s GLN 88 N -0.47 4.10 -0.70 4.98 0.74 0.96 0.10 119.66 129.38 1qtt s GLN 88 Ca 0.22 0.16 -0.26 0.00 0.05 0.00 0.00 55.36 55.53 1qtt s GLN 88 Cb -0.15 -3.59 -0.08 0.00 1.10 0.00 0.00 33.01 30.28 1qtt s GLN 88 CO 0.10 -0.17 2.24 0.42 -0.55 0.00 0.00 175.29 177.33 1qtt s ILE 89 N 1.72 3.14 0.21 -2.34 -1.09 -1.18 -0.14 121.20 121.52 1qtt s ILE 89 Ca 0.18 -0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.47 1qtt s ILE 89 Cb -0.15 -3.35 0.15 0.00 -1.58 0.00 0.00 42.46 37.53 1qtt s ILE 89 CO 0.09 -0.33 1.74 -0.61 -1.23 0.00 0.00 174.94 174.60 1qtt h GLN 90 N 14.81 0.39 -1.40 2.79 -0.00 -0.11 -3.45 115.11 128.15 1qtt h GLN 90 Ca -0.09 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.66 1qtt h GLN 90 Cb 1.10 -0.09 -0.25 0.00 0.00 0.00 0.00 27.48 28.24 1qtt h GLN 90 CO 1.12 0.26 0.66 -3.38 0.00 0.00 0.00 178.83 177.49 1qtt s HIS 91 N -6.09 -0.28 -0.19 3.99 -3.43 -1.21 -4.96 115.29 103.11 1qtt s HIS 91 Ca -0.13 0.53 -0.04 0.00 -0.80 0.00 0.00 55.06 54.62 1qtt s HIS 91 Cb 0.17 0.45 0.08 0.00 -1.43 0.00 0.00 32.58 31.85 1qtt s HIS 91 CO 0.75 -0.22 0.17 -1.58 -2.00 0.00 0.00 174.74 171.85 1qtt s HIS 92 N -0.78 -0.07 0.02 0.38 2.46 -1.26 0.25 115.29 116.29 1qtt s HIS 92 Ca 0.02 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.52 1qtt s HIS 92 Cb -0.02 -0.51 -0.00 0.00 -0.13 0.00 0.00 32.58 31.92 1qtt s HIS 92 CO -0.03 -0.58 0.02 1.47 -2.47 0.00 0.00 174.74 173.15 1qtt n LEU 93 N 5.30 0.00 -3.96 8.88 -0.00 -1.15 -4.81 117.00 121.25 1qtt n LEU 93 Ca -0.06 -0.17 -0.23 0.00 -0.00 0.00 0.00 56.01 55.55 1qtt n LEU 93 Cb 0.49 0.13 -0.16 0.00 -0.00 0.00 0.00 43.42 43.88 1qtt n LEU 93 CO 0.09 -0.04 -0.44 -0.32 -0.00 0.00 0.00 177.39 176.68 1qtt s MET 94 N -2.06 1.31 -0.01 1.47 -2.45 -1.26 -1.46 119.30 114.85 1qtt s MET 94 Ca 0.02 -0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.21 1qtt s MET 94 Cb -0.00 -1.17 -0.00 0.00 1.25 0.00 0.00 34.83 34.91 1qtt s MET 94 CO 0.01 -0.03 -0.07 0.08 1.05 0.00 0.00 175.02 176.07 1qtt s VAL 95 N 0.82 0.53 -1.63 10.11 1.01 0.55 -4.80 120.40 126.99 1qtt s VAL 95 Ca -0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1qtt s VAL 95 Cb -0.15 -0.45 0.14 0.00 0.00 0.00 0.00 36.38 35.92 1qtt s VAL 95 CO 0.02 0.15 0.78 0.54 0.00 0.00 0.00 175.10 176.59 1qtt n ARG 96 N 2.97 -3.42 -2.03 2.72 5.12 -1.26 0.18 116.66 120.94 1qtt n ARG 96 Ca -0.14 0.40 -0.15 0.00 -1.93 0.00 0.00 57.85 56.04 1qtt n ARG 96 Cb 0.57 -5.15 -0.02 0.00 -1.16 0.00 0.00 32.46 26.70 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtt n GLY 97 N -1.38 0.27 3.03 -0.13 0.00 -1.26 -5.00 105.19 100.73 1qtt n GLY 97 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.67 0.98 -0.34 1.61 1.01 0.47 -5.01 120.40 116.44 1qtt s VAL 98 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1qtt s VAL 98 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1qtt s VAL 98 CO 0.00 0.30 0.44 -1.10 0.00 0.00 0.00 175.10 174.74 1qtt s GLN 99 N 0.26 3.62 -0.36 2.72 -0.21 -1.25 0.21 119.66 124.66 1qtt s GLN 99 Ca -0.05 -0.26 -0.09 0.00 0.02 0.00 0.00 55.36 54.97 1qtt s GLN 99 Cb -0.11 -3.80 0.03 0.00 1.00 0.00 0.00 33.01 30.13 1qtt s GLN 99 CO 0.01 -0.57 0.16 -2.00 -2.12 0.00 0.00 175.29 170.78 1qtt s GLU 100 N 2.21 2.80 -0.24 2.91 2.12 -0.54 0.94 118.70 128.91 1qtt s GLU 100 Ca 0.15 -1.08 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 1qtt s GLU 100 Cb -0.16 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1qtt s GLU 100 CO 0.12 -0.66 0.07 -1.17 -0.54 0.00 0.00 175.26 173.08 1qtt s LEU 101 N 1.51 3.50 -0.22 2.70 0.20 0.92 -2.95 118.68 124.32 1qtt s LEU 101 Ca 0.01 -0.16 -0.12 0.00 0.69 0.00 0.00 54.13 54.55 1qtt s LEU 101 Cb -0.19 -1.93 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 1qtt s LEU 101 CO 0.05 0.00 0.24 -0.76 -0.29 0.00 0.00 176.35 175.60 1qtt s LEU 102 N 1.38 4.14 -0.13 -0.68 1.43 0.14 0.26 118.68 125.22 1qtt s LEU 102 Ca 0.05 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1qtt s LEU 102 Cb -0.15 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1qtt s LEU 102 CO 0.04 0.02 -0.15 -0.76 0.23 0.00 0.00 176.35 175.73 1qtt s LEU 103 N 1.09 2.59 -0.13 1.79 1.43 -1.03 0.66 118.68 125.08 1qtt s LEU 103 Ca 0.12 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1qtt s LEU 103 Cb -0.14 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1qtt s LEU 103 CO 0.05 0.15 -0.20 -0.75 0.23 0.00 0.00 176.35 175.83 1qtt s LYS 104 N 0.43 3.11 -0.22 1.70 2.47 0.80 0.14 119.74 128.18 1qtt s LYS 104 Ca -0.11 -0.82 -0.07 0.00 -1.56 0.00 0.00 55.97 53.41 1qtt s LYS 104 Cb -0.16 -2.46 -0.03 0.00 -1.46 0.00 0.00 37.83 33.72 1qtt s LYS 104 CO 0.05 0.07 0.05 -1.17 0.16 0.00 0.00 175.35 174.51 1qtt s LEU 105 N 0.63 3.45 0.52 5.43 2.96 0.27 0.32 118.68 132.27 1qtt s LEU 105 Ca -0.10 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1qtt s LEU 105 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1qtt s LEU 105 CO 0.02 0.03 0.87 -0.76 -1.32 0.00 0.00 176.35 175.20 1qtt s LEU 106 N 1.24 3.52 -0.30 -0.68 2.01 -1.26 -3.42 118.68 119.79 1qtt s LEU 106 Ca 0.04 1.15 -0.29 0.00 0.01 0.00 0.00 54.13 55.04 1qtt s LEU 106 Cb -0.15 -4.12 -0.00 0.00 0.01 0.00 0.00 46.19 41.93 1qtt s LEU 106 CO 0.03 -0.65 1.35 -2.16 1.01 0.00 0.00 176.35 175.92 1qtt s PRO 107 N -4.74 3.87 -0.65 1.29 0.04 -1.26 -4.89 135.00 128.65 1qtt s PRO 107 Ca 0.51 1.26 -0.35 0.00 0.04 0.00 0.00 61.00 62.45 1qtt s PRO 107 Cb -0.10 -3.91 -0.17 0.00 0.04 0.00 0.00 34.50 30.35 1qtt s PRO 107 CO 0.45 -1.19 2.39 -0.40 0.04 0.00 0.00 177.00 178.30 1qtt n ASP 108 N 7.84 1.04 -4.74 6.66 5.75 -1.26 -4.88 116.55 126.96 1qtt n ASP 108 Ca 0.15 0.31 -0.34 0.00 -0.01 0.00 0.00 54.79 54.90 1qtt n ASP 108 Cb 0.47 -1.06 -0.08 0.00 -1.03 0.00 0.00 41.12 39.42 1qtt n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qtt s ASP 109 N 8.07 5.53 0.65 -1.12 2.15 -1.26 -5.06 116.67 125.62 1qtt s ASP 109 Ca 1.21 0.18 -0.16 0.00 0.43 0.00 0.00 52.55 54.22 1qtt s ASP 109 Cb -1.13 -1.59 -0.13 0.00 -0.30 0.00 0.00 42.92 39.76 1qtt s ASP 109 CO 0.52 0.34 -0.39 0.54 -0.17 0.00 0.00 175.17 176.01 1qtt n ARG 110 N 1.77 0.00 -3.58 4.34 5.12 -1.26 -4.99 116.66 118.06 1qtt n ARG 110 Ca -0.17 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.75 1qtt n ARG 110 Cb 0.53 -0.89 -0.04 0.00 -1.16 0.00 0.00 32.46 30.90 1qtt n ARG 110 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1qtt s SER 111 N -0.89 -1.14 -0.34 0.55 0.15 -1.26 -5.12 113.70 105.64 1qtt s SER 111 Ca 0.44 1.45 -0.29 0.00 0.70 0.00 0.00 55.95 58.25 1qtt s SER 111 Cb -0.31 2.25 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1qtt s SER 111 CO 0.66 -0.23 1.37 -2.16 1.20 0.00 0.00 173.24 174.08 1qtt s PRO 112 N 2.88 3.78 -0.00 5.44 0.04 -1.26 -4.92 135.00 140.95 1qtt s PRO 112 Ca -0.02 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1qtt s PRO 112 Cb -0.12 -3.95 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 1qtt s PRO 112 CO -0.19 -1.30 0.98 0.78 0.04 0.00 0.00 177.00 177.31 1qtt h GLY 113 N 11.44 -0.77 -7.01 0.56 0.00 -2.04 -3.42 103.07 101.82 1qtt h GLY 113 Ca -0.27 0.29 -0.71 0.00 0.00 0.00 0.00 47.33 46.64 1qtt h GLY 113 CO 1.05 -0.28 1.41 4.51 0.00 0.00 0.00 176.54 183.23 1qtt n ILE 114 N -5.28 0.03 -3.93 2.60 3.06 -1.26 -4.88 119.36 109.70 1qtt n ILE 114 Ca -0.10 -0.05 -0.14 0.00 -2.50 0.00 0.00 62.75 59.96 1qtt n ILE 114 Cb 0.31 -0.70 -0.15 0.00 0.54 0.00 0.00 39.64 39.64 1qtt n ILE 114 CO 0.00 0.00 0.00 -1.38 -2.50 0.00 0.00 176.55 172.67 1qtt s HIS 115 N 6.79 0.17 0.23 9.51 -3.43 -1.26 -5.12 115.29 122.18 1qtt s HIS 115 Ca 1.21 -0.00 -0.31 0.00 -0.80 0.00 0.00 55.06 55.16 1qtt s HIS 115 Cb -1.35 -0.19 -0.15 0.00 -1.43 0.00 0.00 32.58 29.47 1qtt s HIS 115 CO 0.60 -0.04 1.16 -2.13 -2.00 0.00 0.00 174.74 172.33 1qtt n ARG 116 N 3.44 1.42 0.00 -0.38 0.00 -1.26 -5.29 116.66 114.59 1qtt n ARG 116 Ca -0.18 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1qtt n ARG 116 Cb 0.56 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 31.03 1qtt n ARG 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16