#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt s SER 2 N 0.00 2.84 -0.30 1.61 0.15 -1.26 -5.14 113.70 111.60 1qtt s SER 2 Ca 0.00 -0.93 -0.17 0.00 0.70 0.00 0.00 55.95 55.55 1qtt s SER 2 Cb 0.00 -0.18 0.20 0.00 -1.71 0.00 0.00 66.02 64.33 1qtt s SER 2 CO 0.00 -0.05 1.26 -0.32 1.20 0.00 0.00 173.24 175.33 1qtt s MET 3 N -3.13 0.08 0.10 5.44 -2.45 -1.26 -5.18 119.30 112.91 1qtt s MET 3 Ca 0.20 0.14 -0.25 0.00 -1.25 0.00 0.00 55.69 54.53 1qtt s MET 3 Cb -0.04 0.02 0.07 0.00 1.25 0.00 0.00 34.83 36.13 1qtt s MET 3 CO 0.08 -0.02 0.63 0.00 1.05 0.00 0.00 175.02 176.76 1qtt s ALA 4 N 0.92 -1.65 1.00 4.11 0.00 -1.26 -5.18 121.76 119.70 1qtt s ALA 4 Ca -0.06 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1qtt s ALA 4 Cb -0.03 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1qtt s ALA 4 CO -0.11 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1qtt n GLY 5 N -0.05 -1.66 3.62 0.00 0.00 -1.26 -5.11 105.19 100.72 1qtt n GLY 5 Ca -0.17 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.61 0.38 -0.05 1.61 2.56 -1.26 -5.18 118.70 116.15 1qtt s GLU 6 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 54.97 54.93 1qtt s GLU 6 Cb 0.00 0.18 0.06 0.00 2.00 0.00 0.00 34.13 36.37 1qtt s GLU 6 CO 0.00 -0.09 0.60 0.16 -0.56 0.00 0.00 175.26 175.37 1qtt s ASP 7 N -0.52 -0.56 0.98 -1.70 -4.77 -1.26 -4.97 116.67 103.86 1qtt s ASP 7 Ca 0.03 0.61 -0.12 0.00 -3.30 0.00 0.00 52.55 49.77 1qtt s ASP 7 Cb -0.03 0.53 0.18 0.00 -1.09 0.00 0.00 42.92 42.51 1qtt s ASP 7 CO -0.05 -0.56 1.09 -0.69 0.70 0.00 0.00 175.17 175.66 1qtt s VAL 8 N -1.15 2.22 -0.12 2.11 1.01 -1.26 -5.01 120.40 118.19 1qtt s VAL 8 Ca -0.11 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 1qtt s VAL 8 Cb -0.01 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1qtt s VAL 8 CO 0.08 -0.09 -0.19 0.61 0.00 0.00 0.00 175.10 175.51 1qtt n GLY 9 N -1.06 -0.73 3.55 4.51 0.00 -1.26 -5.06 105.19 105.14 1qtt n GLY 9 Ca 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1qtt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtt s ALA 10 N -2.85 -1.65 0.97 4.61 0.00 -1.26 -5.18 121.76 116.40 1qtt s ALA 10 Ca -0.16 1.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 1qtt s ALA 10 Cb 0.02 -0.73 0.17 0.00 0.00 0.00 0.00 23.12 22.59 1qtt s ALA 10 CO 0.23 -0.33 1.16 -1.25 0.00 0.00 0.00 175.76 175.57 1qtt s PRO 11 N -0.17 0.66 -0.81 0.00 0.04 -1.26 -4.93 135.00 128.54 1qtt s PRO 11 Ca -0.04 0.11 -0.25 0.00 0.04 0.00 0.00 61.00 60.86 1qtt s PRO 11 Cb -0.03 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 11 CO 0.04 -2.49 1.62 -1.25 0.04 0.00 0.00 177.00 174.96 1qtt s PRO 12 N -5.40 2.99 0.59 0.56 0.04 -1.26 -4.81 135.00 127.71 1qtt s PRO 12 Ca 0.67 -0.23 0.33 0.00 0.04 0.00 0.00 61.00 61.81 1qtt s PRO 12 Cb -0.12 -4.70 1.30 0.00 0.04 0.00 0.00 34.50 31.02 1qtt s PRO 12 CO 0.54 -2.59 1.58 0.22 0.04 0.00 0.00 177.00 176.78 1qtt h ASP 13 N 11.58 0.00 -4.65 6.66 3.58 -1.96 -3.39 116.42 128.24 1qtt h ASP 13 Ca -0.08 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.27 1qtt h ASP 13 Cb 1.06 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.90 1qtt h ASP 13 CO 1.28 0.00 -0.15 -1.38 -2.88 0.00 0.00 179.24 176.11 1qtt s HIS 14 N -4.63 -0.38 0.04 0.28 -3.43 -1.26 -1.02 115.29 104.89 1qtt s HIS 14 Ca -0.04 0.74 0.05 0.00 -0.80 0.00 0.00 55.06 55.01 1qtt s HIS 14 Cb 0.18 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.49 1qtt s HIS 14 CO 0.61 -0.39 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.30 1qtt s LEU 15 N -0.82 2.17 -0.21 5.38 1.43 -1.18 -3.78 118.68 121.67 1qtt s LEU 15 Ca -0.09 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1qtt s LEU 15 Cb -0.04 -0.67 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1qtt s LEU 15 CO 0.04 0.05 -0.01 0.26 0.23 0.00 0.00 176.35 176.93 1qtt s TRP 16 N -0.85 1.66 -0.18 0.29 0.51 0.11 -2.24 118.94 118.24 1qtt s TRP 16 Ca 0.03 -1.27 -0.29 0.00 -2.12 0.00 0.00 56.10 52.44 1qtt s TRP 16 Cb -0.08 -1.28 -0.02 0.00 -0.81 0.00 0.00 33.47 31.27 1qtt s TRP 16 CO 0.01 -0.69 1.46 0.54 -0.51 0.00 0.00 176.95 177.77 1qtt s VAL 17 N 1.64 3.93 -0.07 4.03 0.11 -0.98 0.12 120.40 129.18 1qtt s VAL 17 Ca -0.03 1.09 0.06 0.00 -2.93 0.00 0.00 61.98 60.17 1qtt s VAL 17 Cb -0.18 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.77 1qtt s VAL 17 CO -0.07 -0.22 0.02 1.57 -3.33 0.00 0.00 175.10 173.07 1qtt n HIS 18 N 7.43 0.00 -4.16 1.54 -0.00 -1.16 -4.96 115.22 113.92 1qtt n HIS 18 Ca 0.16 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.19 1qtt n HIS 18 Cb 0.45 -0.35 -0.11 0.00 -0.12 0.00 0.00 29.99 29.86 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 -2.17 0.79 -0.33 1.57 -0.21 -1.25 -4.09 119.66 113.97 1qtt s GLN 19 Ca -0.04 -1.03 -0.35 0.00 0.02 0.00 0.00 55.36 53.96 1qtt s GLN 19 Cb 0.02 -0.61 -0.11 0.00 1.00 0.00 0.00 33.01 33.31 1qtt s GLN 19 CO 0.29 0.11 2.15 -0.85 -2.12 0.00 0.00 175.29 174.88 1qtt n GLU 20 N 0.95 1.15 -1.52 2.91 -0.00 -1.26 0.15 120.64 123.02 1qtt n GLU 20 Ca -0.19 0.33 -0.04 0.00 -0.00 0.00 0.00 57.16 57.26 1qtt n GLU 20 Cb 0.56 -2.46 -0.01 0.00 -0.00 0.00 0.00 31.44 29.53 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qtt n GLY 21 N 6.32 0.47 3.14 -1.84 0.00 -1.26 -4.94 105.19 107.08 1qtt n GLY 21 Ca 0.39 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.15 1.02 0.02 -0.61 1.09 0.40 0.20 121.20 121.18 1qtt s ILE 22 Ca 0.00 -1.13 -0.06 0.00 -1.10 0.00 0.00 60.65 58.36 1qtt s ILE 22 Cb 0.00 -0.97 -0.01 0.00 -1.06 0.00 0.00 42.46 40.42 1qtt s ILE 22 CO 0.00 -0.15 0.10 -0.31 -0.10 0.00 0.00 174.94 174.48 1qtt s TYR 23 N -1.09 0.13 -0.14 3.97 2.02 0.73 -2.98 117.35 119.98 1qtt s TYR 23 Ca -0.01 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1qtt s TYR 23 Cb -0.09 -0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 1qtt s TYR 23 CO 0.02 -0.31 -0.01 0.50 -1.57 0.00 0.00 175.55 174.17 1qtt s ARG 24 N -1.92 3.56 0.88 -0.62 3.52 0.33 0.28 118.95 124.98 1qtt s ARG 24 Ca -0.11 -0.46 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 1qtt s ARG 24 Cb -0.05 -2.94 0.19 0.00 -1.56 0.00 0.00 34.95 30.59 1qtt s ARG 24 CO -0.01 0.36 1.20 0.34 -0.81 0.00 0.00 175.30 176.38 1qtt s ASP 25 N 0.06 3.45 -0.13 -2.12 -1.08 0.20 -0.71 116.67 116.34 1qtt s ASP 25 Ca 0.01 -0.15 0.05 0.00 -0.52 0.00 0.00 52.55 51.95 1qtt s ASP 25 Cb -0.13 0.05 0.34 0.00 -1.46 0.00 0.00 42.92 41.72 1qtt s ASP 25 CO 0.02 -2.49 1.16 -1.84 0.52 0.00 0.00 175.17 172.55 1qtt n GLU 26 N -3.42 2.35 -2.71 4.34 0.28 -1.25 -3.83 120.64 116.40 1qtt n GLU 26 Ca 0.17 -1.37 -0.05 0.00 -0.16 0.00 0.00 57.16 55.75 1qtt n GLU 26 Cb 0.60 -1.74 0.09 0.00 1.43 0.00 0.00 31.44 31.82 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1qtt n TYR 27 N 0.12 -0.88 -3.57 -1.84 4.01 -1.26 -4.97 117.16 108.76 1qtt n TYR 27 Ca 0.17 -2.09 -0.26 0.00 -0.16 0.00 0.00 57.90 55.55 1qtt n TYR 27 Cb 0.78 0.82 -0.01 0.00 -0.31 0.00 0.00 39.34 40.63 1qtt n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qtt n GLN 28 N -0.76 -3.53 -3.80 -0.72 10.64 -1.25 -4.91 117.38 113.05 1qtt n GLN 28 Ca -0.03 0.46 -0.37 0.00 -1.83 0.00 0.00 57.00 55.24 1qtt n GLN 28 Cb 0.84 -5.19 -0.13 0.00 -0.86 0.00 0.00 30.24 24.91 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1qtt s ARG 29 N -6.24 2.46 0.40 2.61 0.52 -1.26 -4.93 118.95 112.51 1qtt s ARG 29 Ca 0.49 -1.32 -0.24 0.00 -0.52 0.00 0.00 55.73 54.13 1qtt s ARG 29 Cb -0.26 -3.39 -0.09 0.00 0.52 0.00 0.00 34.95 31.73 1qtt s ARG 29 CO 0.60 -0.73 1.08 0.95 0.02 0.00 0.00 175.30 177.22 1qtt s THR 30 N 1.31 3.59 0.20 0.02 -4.23 -1.26 0.63 115.64 115.90 1qtt s THR 30 Ca -0.01 1.23 0.09 0.00 -1.18 0.00 0.00 61.69 61.82 1qtt s THR 30 Cb -0.20 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 1qtt s THR 30 CO 0.00 0.02 -0.17 0.26 -0.54 0.00 0.00 174.62 174.20 1qtt s TRP 31 N -1.61 1.85 -0.33 3.99 0.52 0.81 -2.78 118.94 121.39 1qtt s TRP 31 Ca 0.58 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 56.24 1qtt s TRP 31 Cb -0.24 -0.87 0.09 0.00 -1.15 0.00 0.00 33.47 31.31 1qtt s TRP 31 CO 0.30 0.41 0.03 0.08 0.02 0.00 0.00 176.95 177.79 1qtt s VAL 32 N -2.57 2.20 -0.57 4.03 1.01 0.86 -0.19 120.40 125.16 1qtt s VAL 32 Ca 0.21 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.74 1qtt s VAL 32 Cb -0.03 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1qtt s VAL 32 CO 0.08 -0.53 0.94 0.00 0.00 0.00 0.00 175.10 175.59 1qtt s ALA 33 N 0.96 3.15 -1.21 5.51 0.00 0.54 0.15 121.76 130.86 1qtt s ALA 33 Ca 0.08 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1qtt s ALA 33 Cb -0.19 -3.75 0.20 0.00 0.00 0.00 0.00 23.12 19.37 1qtt s ALA 33 CO -0.08 -2.46 1.51 0.28 0.00 0.00 0.00 175.76 175.01 1qtt n VAL 34 N 6.13 4.42 -1.44 0.00 0.31 0.62 -4.14 118.33 124.23 1qtt n VAL 34 Ca 0.00 -4.84 -0.47 0.00 -0.01 0.00 0.00 64.34 59.02 1qtt n VAL 34 Cb 0.47 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.88 1qtt n VAL 34 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1qtt n VAL 35 N 3.71 0.05 -3.88 2.52 3.14 -1.26 -3.17 118.33 119.44 1qtt n VAL 35 Ca 0.35 -0.21 -0.32 0.00 -2.96 0.00 0.00 64.34 61.20 1qtt n VAL 35 Cb 0.40 -1.24 -0.13 0.00 -1.06 0.00 0.00 33.84 31.81 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 7.35 2.12 -0.22 1.45 2.12 0.24 -4.98 118.70 126.78 1qtt s GLU 36 Ca 1.18 -2.51 -0.38 0.00 0.36 0.00 0.00 54.97 53.62 1qtt s GLU 36 Cb -1.01 -3.45 -0.15 0.00 0.26 0.00 0.00 34.13 29.79 1qtt s GLU 36 CO 0.49 -1.11 1.78 -0.85 -0.54 0.00 0.00 175.26 175.02 1qtt n GLU 37 N 3.36 1.45 -1.59 4.30 0.28 -1.26 -3.31 120.64 123.87 1qtt n GLU 37 Ca 0.06 0.53 -0.31 0.00 -0.16 0.00 0.00 57.16 57.28 1qtt n GLU 37 Cb 0.35 -2.26 0.05 0.00 1.43 0.00 0.00 31.44 31.01 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1qtt s GLU 38 N 3.65 2.97 0.57 3.44 0.41 0.93 -4.88 118.70 125.79 1qtt s GLU 38 Ca 0.97 0.93 0.34 0.00 -0.41 0.00 0.00 54.97 56.80 1qtt s GLU 38 Cb -0.96 -2.00 1.42 0.00 -1.78 0.00 0.00 34.13 30.81 1qtt s GLU 38 CO 0.61 -1.07 1.68 1.15 -0.49 0.00 0.00 175.26 177.14 1qtt h THR 39 N -0.70 0.24 0.00 3.63 2.02 -2.04 -2.86 112.91 113.21 1qtt h THR 39 Ca -0.44 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 1qtt h THR 39 Cb 1.21 0.31 -0.13 0.00 -1.74 0.00 0.00 68.15 67.80 1qtt h THR 39 CO 0.57 0.00 -0.24 -1.20 0.37 0.00 0.00 175.52 175.02 1qtt n SER 40 N -3.80 -1.20 -2.35 4.18 7.64 -1.26 -5.14 113.62 111.68 1qtt n SER 40 Ca 0.23 -2.00 -0.07 0.00 1.01 0.00 0.00 58.87 58.04 1qtt n SER 40 Cb 1.28 0.52 0.01 0.00 -1.01 0.00 0.00 64.21 65.02 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 -1.02 -1.89 -4.00 1.43 3.72 -1.08 -4.95 117.46 109.67 1qtt n PHE 41 Ca -0.18 -1.45 -0.31 0.00 -0.05 0.00 0.00 57.45 55.46 1qtt n PHE 41 Cb 0.79 0.65 -0.15 0.00 -0.94 0.00 0.00 39.48 39.82 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 3.09 -0.16 4.37 2.01 -1.19 -0.05 118.68 126.74 1qtt s LEU 42 Ca 0.13 -1.34 0.01 0.00 0.01 0.00 0.00 54.13 52.94 1qtt s LEU 42 Cb -0.03 -1.37 0.01 0.00 0.01 0.00 0.00 46.19 44.80 1qtt s LEU 42 CO 0.10 -0.22 -0.17 -0.60 1.01 0.00 0.00 176.35 176.46 1qtt s ARG 43 N 1.24 3.12 -0.55 1.70 3.52 -1.21 0.85 118.95 127.62 1qtt s ARG 43 Ca -0.06 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1qtt s ARG 43 Cb -0.19 -2.59 0.14 0.00 -1.56 0.00 0.00 34.95 30.75 1qtt s ARG 43 CO -0.06 -0.06 0.33 0.00 -0.81 0.00 0.00 175.30 174.70 1qtt s ALA 44 N 0.98 3.41 -0.34 6.12 0.00 0.22 0.80 121.76 132.95 1qtt s ALA 44 Ca -0.02 -3.12 -0.28 0.00 0.00 0.00 0.00 51.96 48.53 1qtt s ALA 44 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1qtt s ALA 44 CO -0.04 -2.01 1.77 0.50 0.00 0.00 0.00 175.76 175.98 1qtt s ARG 45 N 0.10 3.34 -0.37 0.00 3.52 -1.19 -2.50 118.95 121.84 1qtt s ARG 45 Ca 0.15 1.37 -0.17 0.00 -0.13 0.00 0.00 55.73 56.96 1qtt s ARG 45 Cb -0.22 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 28.98 1qtt s ARG 45 CO -0.03 -1.85 0.43 0.08 -0.81 0.00 0.00 175.30 173.12 1qtt s VAL 46 N 6.81 5.09 -0.17 7.11 1.01 0.73 0.23 120.40 141.21 1qtt s VAL 46 Ca 0.78 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 1qtt s VAL 46 Cb -0.21 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1qtt s VAL 46 CO 0.33 -0.23 -0.01 -1.58 0.00 0.00 0.00 175.10 173.61 1qtt s GLN 47 N 2.18 3.71 -0.17 2.72 0.74 0.39 0.21 119.66 129.44 1qtt s GLN 47 Ca 0.14 -0.49 -0.24 0.00 0.05 0.00 0.00 55.36 54.82 1qtt s GLN 47 Cb -0.16 -3.01 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1qtt s GLN 47 CO 0.13 0.18 0.76 -1.14 -0.55 0.00 0.00 175.29 174.67 1qtt s GLN 48 N 0.54 4.28 0.21 1.67 -0.44 0.20 0.30 119.66 126.40 1qtt s GLN 48 Ca -0.01 0.88 -0.19 0.00 -2.50 0.00 0.00 55.36 53.54 1qtt s GLN 48 Cb -0.14 -3.57 0.03 0.00 -1.64 0.00 0.00 33.01 27.69 1qtt s GLN 48 CO 0.02 -0.28 0.56 0.96 0.50 0.00 0.00 175.29 177.06 1qtt s ILE 49 N 1.99 0.02 -0.41 -2.34 -0.00 -1.12 -3.95 121.20 115.40 1qtt s ILE 49 Ca 0.35 -0.72 -0.20 0.00 -0.00 0.00 0.00 60.65 60.08 1qtt s ILE 49 Cb -0.16 -1.58 0.01 0.00 -0.00 0.00 0.00 42.46 40.73 1qtt s ILE 49 CO 0.12 -0.08 0.59 -1.10 -0.00 0.00 0.00 174.94 174.47 1qtt s GLN 50 N -3.87 3.38 -0.21 0.37 1.11 -1.26 -4.20 119.66 114.98 1qtt s GLN 50 Ca 0.09 -0.32 -0.19 0.00 0.01 0.00 0.00 55.36 54.95 1qtt s GLN 50 Cb -0.02 -3.90 0.06 0.00 -1.01 0.00 0.00 33.01 28.14 1qtt s GLN 50 CO -0.02 -0.87 0.56 0.54 0.01 0.00 0.00 175.29 175.51 1qtt s VAL 51 N 2.62 -0.00 0.16 1.09 0.11 -1.26 -5.13 120.40 117.99 1qtt s VAL 51 Ca 0.21 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 1qtt s VAL 51 Cb -0.15 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 33.84 1qtt s VAL 51 CO 0.16 0.00 1.13 -2.16 -3.33 0.00 0.00 175.10 170.90 1qtt s PRO 52 N 0.49 4.55 -0.40 1.54 0.04 -1.26 -4.85 135.00 135.11 1qtt s PRO 52 Ca -0.02 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1qtt s PRO 52 Cb -0.04 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1qtt s PRO 52 CO -0.02 0.00 1.19 -0.51 0.04 0.00 0.00 177.00 177.70 1qtt s LEU 53 N -0.14 3.73 0.00 -3.56 1.02 -1.26 -4.99 118.68 113.48 1qtt s LEU 53 Ca 0.51 0.77 0.00 0.00 0.02 0.00 0.00 54.13 55.43 1qtt s LEU 53 Cb -0.30 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.37 1qtt s LEU 53 CO 0.34 -1.17 0.00 0.61 0.02 0.00 0.00 176.35 176.15 1qtt n GLY 54 N 4.58 -1.71 3.39 -3.19 0.00 -1.26 -4.96 105.19 102.03 1qtt n GLY 54 Ca 0.13 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1qtt n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qtt n ASP 55 N 0.00 -0.60 -2.88 1.61 9.92 -1.26 -5.04 116.55 118.31 1qtt n ASP 55 Ca 0.00 -1.33 -0.12 0.00 -0.53 0.00 0.00 54.79 52.81 1qtt n ASP 55 Cb 0.00 -0.92 0.02 0.00 -0.64 0.00 0.00 41.12 39.58 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qtt n ALA 56 N -4.08 2.27 -1.72 2.24 0.00 -1.26 -4.52 120.51 113.44 1qtt n ALA 56 Ca -0.19 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1qtt n ALA 56 Cb 0.53 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.06 0.00 -3.07 0.00 0.00 -1.26 -5.06 120.51 111.18 1qtt n ALA 57 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1qtt n ALA 57 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 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 1.43 0.09 0.00 1.74 -1.26 -4.93 116.66 113.74 1qtt n ARG 58 Ca 0.00 -3.64 -0.05 0.00 -0.77 0.00 0.00 57.85 53.39 1qtt n ARG 58 Cb 0.00 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 2.99 -0.32 -0.21 5.56 0.13 -1.98 -2.90 132.00 135.27 1qtt h PRO 59 Ca 0.09 0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.15 1qtt h PRO 59 Cb 0.92 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1qtt h PRO 59 CO 0.56 -0.21 -0.26 1.03 -0.23 0.00 0.00 178.00 178.89 1qtt h SER 60 N -1.07 0.39 -0.12 1.44 0.87 -1.95 1.62 113.55 114.73 1qtt h SER 60 Ca -0.03 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1qtt h SER 60 Cb 0.26 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1qtt h SER 60 CO 0.06 0.65 0.08 0.45 -0.53 0.00 0.00 176.83 177.54 1qtt h HIS 61 N 0.35 0.09 0.00 2.24 3.86 -1.93 1.93 115.15 121.69 1qtt h HIS 61 Ca 0.05 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.89 1qtt h HIS 61 Cb 0.64 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.01 1qtt h HIS 61 CO 0.02 0.06 -2.42 1.28 0.86 0.00 0.00 177.93 177.72 1qtt n LEU 62 N -4.52 1.16 0.09 2.43 4.32 -0.82 -3.13 117.00 116.54 1qtt n LEU 62 Ca -0.01 -0.05 -0.05 0.00 -0.02 0.00 0.00 56.01 55.89 1qtt n LEU 62 Cb 0.13 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.86 1qtt n LEU 62 CO 0.34 0.67 0.16 0.25 -1.22 0.00 0.00 177.39 177.59 1qtt h LEU 63 N 0.00 -0.25 0.36 2.23 6.46 0.28 -3.39 115.31 121.00 1qtt h LEU 63 Ca -0.56 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 1qtt h LEU 63 Cb 2.11 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.11 1qtt h LEU 63 CO -0.02 0.07 -0.18 0.74 -0.62 0.00 0.00 178.44 178.44 1qtt h THR 64 N -0.81 0.00 -5.52 1.05 2.02 0.28 -3.48 112.91 106.44 1qtt h THR 64 Ca -0.03 -0.58 -0.31 0.00 0.77 0.00 0.00 66.41 66.25 1qtt h THR 64 Cb 0.23 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 66.81 1qtt h THR 64 CO 0.05 0.00 -0.75 -1.54 0.37 0.00 0.00 175.52 173.65 1qtt n SER 65 N -4.94 -2.32 0.09 4.18 3.41 0.13 -4.90 113.62 109.26 1qtt n SER 65 Ca -0.06 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1qtt n SER 65 Cb 0.19 -4.99 0.00 0.00 -0.26 0.00 0.00 64.21 59.15 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 -3.98 0.00 -2.31 4.33 6.02 -1.26 -5.07 117.38 115.12 1qtt n GLN 66 Ca -0.27 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.32 1qtt n GLN 66 Cb 0.66 -0.09 -0.03 0.00 1.02 0.00 0.00 30.24 31.80 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 -6.36 4.48 0.85 1.08 1.02 -1.26 -5.02 118.68 113.47 1qtt s LEU 67 Ca 0.00 2.46 -0.12 0.00 0.02 0.00 0.00 54.13 56.49 1qtt s LEU 67 Cb 0.00 -3.66 0.10 0.00 0.02 0.00 0.00 46.19 42.66 1qtt s LEU 67 CO 0.00 -0.34 1.12 -2.16 0.02 0.00 0.00 176.35 174.98 1qtt s PRO 68 N -1.65 1.61 0.50 1.29 0.04 -1.26 -4.95 135.00 130.59 1qtt s PRO 68 Ca 0.47 0.47 0.29 0.00 0.04 0.00 0.00 61.00 62.26 1qtt s PRO 68 Cb -0.35 -1.88 1.00 0.00 0.04 0.00 0.00 34.50 33.31 1qtt s PRO 68 CO 0.46 -1.91 1.85 1.25 0.04 0.00 0.00 177.00 178.69 1qtt h LEU 69 N -1.29 0.00 -7.02 -3.56 7.12 -1.95 -3.44 115.31 105.17 1qtt h LEU 69 Ca -0.49 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.47 1qtt h LEU 69 Cb 1.30 0.00 -0.20 0.00 -0.53 0.00 0.00 40.66 41.23 1qtt h LEU 69 CO 0.61 0.06 0.13 -0.32 -0.13 0.00 0.00 178.44 178.78 1qtt s MET 70 N -3.54 0.89 0.24 1.25 1.75 -1.26 -2.33 119.30 116.31 1qtt s MET 70 Ca 0.02 0.72 0.07 0.00 -1.25 0.00 0.00 55.69 55.26 1qtt s MET 70 Cb 0.08 0.43 -0.04 0.00 2.84 0.00 0.00 34.83 38.14 1qtt s MET 70 CO 0.60 -0.17 0.13 -1.58 -0.65 0.00 0.00 175.02 173.35 1qtt s TRP 71 N -0.16 3.00 -0.28 4.11 0.51 -0.95 -3.48 118.94 121.69 1qtt s TRP 71 Ca -0.04 -0.13 -0.03 0.00 -2.12 0.00 0.00 56.10 53.78 1qtt s TRP 71 Cb -0.03 -1.36 0.10 0.00 -0.81 0.00 0.00 33.47 31.36 1qtt s TRP 71 CO 0.04 0.54 0.12 -1.14 -0.51 0.00 0.00 176.95 176.00 1qtt s GLN 72 N -3.67 0.30 -0.27 4.98 2.00 0.39 -3.11 119.66 120.28 1qtt s GLN 72 Ca 0.32 -0.61 -0.41 0.00 -2.00 0.00 0.00 55.36 52.66 1qtt s GLN 72 Cb -0.08 -1.40 -0.17 0.00 0.80 0.00 0.00 33.01 32.17 1qtt s GLN 72 CO 0.23 -0.98 1.66 -0.11 -0.50 0.00 0.00 175.29 175.59 1qtt n LEU 73 N 5.17 2.04 -4.66 3.68 7.94 -0.18 0.11 117.00 131.10 1qtt n LEU 73 Ca -0.05 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1qtt n LEU 73 Cb 0.43 -1.09 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 1qtt n LEU 73 CO 0.06 -0.61 -0.28 -0.47 -1.11 0.00 0.00 177.39 174.99 1qtt s TYR 74 N 3.04 2.28 1.11 1.96 5.04 0.21 -4.77 117.35 126.22 1qtt s TYR 74 Ca 0.98 -0.78 -0.19 0.00 -2.44 0.00 0.00 57.07 54.64 1qtt s TYR 74 Cb -1.14 -1.70 0.26 0.00 0.35 0.00 0.00 41.96 39.74 1qtt s TYR 74 CO 0.66 0.35 1.24 -1.25 -1.34 0.00 0.00 175.55 175.21 1qtt s PRO 75 N -3.77 -0.56 -0.95 4.97 0.04 -1.26 -3.19 135.00 130.28 1qtt s PRO 75 Ca 0.26 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1qtt s PRO 75 Cb 0.07 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1qtt s PRO 75 CO 0.13 -3.23 0.00 0.39 0.04 0.00 0.00 177.00 174.33 1qtt n GLU 76 N -4.35 -1.12 -3.12 4.56 -0.58 -1.26 -2.70 120.64 112.07 1qtt n GLU 76 Ca 0.16 0.76 -0.14 0.00 -0.42 0.00 0.00 57.16 57.52 1qtt n GLU 76 Cb 0.59 -4.82 0.07 0.00 -0.57 0.00 0.00 31.44 26.71 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 -1.75 -4.03 -3.84 3.49 2.13 -1.26 -4.93 120.64 110.47 1qtt n GLU 77 Ca -0.09 0.73 -0.09 0.00 0.66 0.00 0.00 57.16 58.37 1qtt n GLU 77 Cb 0.42 -5.28 -0.07 0.00 0.27 0.00 0.00 31.44 26.78 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 -4.73 0.94 -0.10 5.31 0.52 -1.10 -2.22 118.95 117.57 1qtt s ARG 78 Ca 0.17 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1qtt s ARG 78 Cb -0.02 0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 1qtt s ARG 78 CO 0.62 -0.32 -0.14 0.71 0.02 0.00 0.00 175.30 176.19 1qtt s TYR 79 N -3.87 2.76 -0.23 -0.53 1.51 0.35 0.65 117.35 117.99 1qtt s TYR 79 Ca 0.07 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1qtt s TYR 79 Cb 0.04 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1qtt s TYR 79 CO -0.09 -0.06 0.08 1.41 -1.11 0.00 0.00 175.55 175.78 1qtt s MET 80 N -0.09 3.79 0.64 -0.62 1.75 0.31 0.11 119.30 125.20 1qtt s MET 80 Ca -0.02 -0.42 0.05 0.00 -1.25 0.00 0.00 55.69 54.05 1qtt s MET 80 Cb -0.14 -3.33 0.11 0.00 2.84 0.00 0.00 34.83 34.31 1qtt s MET 80 CO 0.04 -0.04 0.89 0.16 -0.65 0.00 0.00 175.02 175.41 1qtt s ASP 81 N 1.25 4.74 0.00 1.11 3.84 -0.81 0.15 116.67 126.95 1qtt s ASP 81 Ca 0.05 -0.61 0.23 0.00 -0.00 0.00 0.00 52.55 52.23 1qtt s ASP 81 Cb -0.14 0.13 0.30 0.00 -1.38 0.00 0.00 42.92 41.83 1qtt s ASP 81 CO 0.04 -1.58 1.32 -3.20 -0.00 0.00 0.00 175.17 171.74 1qtt n ASN 82 N -2.52 3.21 -0.01 2.11 5.15 -1.23 -4.04 115.26 117.94 1qtt n ASN 82 Ca 0.15 -1.99 0.15 0.00 -0.60 0.00 0.00 54.58 52.30 1qtt n ASN 82 Cb 0.61 -0.12 0.86 0.00 -0.53 0.00 0.00 39.78 40.59 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qtt n ASN 83 N 1.41 0.02 -0.36 1.20 2.85 -1.26 -4.86 115.26 114.26 1qtt n ASN 83 Ca 0.16 -0.61 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 1qtt n ASN 83 Cb 0.60 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.49 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 -1.12 -1.47 -3.80 1.20 2.88 -1.26 -5.08 113.62 104.98 1qtt n SER 84 Ca 0.19 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1qtt n SER 84 Cb 0.17 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.19 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 -3.72 0.87 -0.19 -1.46 0.52 -1.26 -5.08 118.95 108.63 1qtt s ARG 85 Ca 0.00 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1qtt s ARG 85 Cb 0.00 0.36 0.02 0.00 0.52 0.00 0.00 34.95 35.85 1qtt s ARG 85 CO 0.00 -0.29 -0.18 -1.17 0.02 0.00 0.00 175.30 173.68 1qtt s LEU 86 N -2.70 2.26 0.01 2.53 1.98 -1.26 -1.92 118.68 119.58 1qtt s LEU 86 Ca 0.03 -0.69 -0.16 0.00 -2.89 0.00 0.00 54.13 50.42 1qtt s LEU 86 Cb 0.03 -1.50 -0.06 0.00 0.66 0.00 0.00 46.19 45.32 1qtt s LEU 86 CO -0.10 -0.01 0.45 0.26 -1.89 0.00 0.00 176.35 175.05 1qtt s TRP 87 N 1.29 3.73 -0.18 5.38 0.52 0.31 -4.18 118.94 125.81 1qtt s TRP 87 Ca 0.04 1.04 -0.14 0.00 0.02 0.00 0.00 56.10 57.06 1qtt s TRP 87 Cb -0.14 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1qtt s TRP 87 CO -0.12 0.60 0.33 -1.14 0.02 0.00 0.00 176.95 176.64 1qtt s GLN 88 N -0.97 4.21 -0.79 4.98 0.74 0.97 0.13 119.66 128.93 1qtt s GLN 88 Ca 0.25 0.11 -0.25 0.00 0.05 0.00 0.00 55.36 55.51 1qtt s GLN 88 Cb -0.17 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 1qtt s GLN 88 CO 0.14 0.11 1.99 0.42 -0.55 0.00 0.00 175.29 177.40 1qtt s ILE 89 N 0.87 3.36 0.20 -2.34 -1.09 -0.94 -0.02 121.20 121.24 1qtt s ILE 89 Ca 0.17 -0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.33 1qtt s ILE 89 Cb -0.14 -3.85 0.12 0.00 -1.58 0.00 0.00 42.46 37.01 1qtt s ILE 89 CO 0.06 -0.80 1.76 1.56 -1.23 0.00 0.00 174.94 176.29 1qtt h GLN 90 N 12.92 0.44 -1.39 2.79 1.08 -1.30 -3.45 115.11 126.19 1qtt h GLN 90 Ca -0.03 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.27 1qtt h GLN 90 Cb 1.06 -0.10 -0.26 0.00 -0.05 0.00 0.00 27.48 28.14 1qtt h GLN 90 CO 1.19 0.29 0.66 -3.38 -0.95 0.00 0.00 178.83 176.65 1qtt s HIS 91 N -6.11 -0.28 -0.19 2.96 -3.43 -1.22 -4.98 115.29 102.03 1qtt s HIS 91 Ca -0.13 0.54 -0.04 0.00 -0.80 0.00 0.00 55.06 54.63 1qtt s HIS 91 Cb 0.16 0.45 0.08 0.00 -1.43 0.00 0.00 32.58 31.84 1qtt s HIS 91 CO 0.74 -0.21 0.19 -1.58 -2.00 0.00 0.00 174.74 171.88 1qtt s HIS 92 N -0.70 -0.17 0.11 0.38 2.46 -1.26 0.52 115.29 116.63 1qtt s HIS 92 Ca 0.03 0.12 -0.01 0.00 0.47 0.00 0.00 55.06 55.66 1qtt s HIS 92 Cb -0.02 -0.43 0.01 0.00 -0.13 0.00 0.00 32.58 32.01 1qtt s HIS 92 CO -0.04 -0.57 0.17 1.47 -2.47 0.00 0.00 174.74 173.30 1qtt n LEU 93 N 5.31 0.00 -4.28 8.88 -0.00 -1.14 -4.98 117.00 120.80 1qtt n LEU 93 Ca -0.06 -0.87 -0.33 0.00 -0.00 0.00 0.00 56.01 54.76 1qtt n LEU 93 Cb 0.49 0.87 -0.15 0.00 -0.00 0.00 0.00 43.42 44.63 1qtt n LEU 93 CO 0.08 -0.22 -0.48 -0.32 -0.00 0.00 0.00 177.39 176.46 1qtt s MET 94 N -2.20 3.23 -0.05 1.47 -2.45 -1.26 -0.68 119.30 117.35 1qtt s MET 94 Ca 0.08 -0.75 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 1qtt s MET 94 Cb -0.01 -2.60 0.00 0.00 1.25 0.00 0.00 34.83 33.48 1qtt s MET 94 CO 0.06 0.06 -0.15 0.08 1.05 0.00 0.00 175.02 176.12 1qtt s VAL 95 N 0.71 1.30 -1.46 10.11 1.01 0.52 -4.73 120.40 127.85 1qtt s VAL 95 Ca -0.07 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1qtt s VAL 95 Cb -0.16 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.19 1qtt s VAL 95 CO 0.01 0.38 0.68 0.54 0.00 0.00 0.00 175.10 176.72 1qtt n ARG 96 N 3.38 -3.78 -1.25 2.72 5.12 -1.26 0.19 116.66 121.78 1qtt n ARG 96 Ca -0.20 0.47 -0.08 0.00 -1.93 0.00 0.00 57.85 56.11 1qtt n ARG 96 Cb 0.53 -5.23 -0.04 0.00 -1.16 0.00 0.00 32.46 26.56 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 -1.34 1.00 3.12 -0.13 0.00 -1.26 -4.99 105.19 101.59 1qtt n GLY 97 Ca 0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.21 1.58 -0.36 1.61 1.01 0.50 -5.04 120.40 117.49 1qtt s VAL 98 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1qtt s VAL 98 Cb 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1qtt s VAL 98 CO 0.00 0.45 1.09 -1.10 0.00 0.00 0.00 175.10 175.54 1qtt s GLN 99 N 0.44 3.97 -0.40 2.72 1.11 -1.25 0.20 119.66 126.44 1qtt s GLN 99 Ca -0.15 0.92 -0.09 0.00 0.01 0.00 0.00 55.36 56.05 1qtt s GLN 99 Cb -0.16 -3.78 0.06 0.00 -1.01 0.00 0.00 33.01 28.12 1qtt s GLN 99 CO 0.06 -1.03 0.23 -2.00 0.01 0.00 0.00 175.29 172.55 1qtt s GLU 100 N 3.86 2.63 -0.22 2.91 2.12 0.14 0.58 118.70 130.71 1qtt s GLU 100 Ca 0.46 -1.36 -0.09 0.00 0.36 0.00 0.00 54.97 54.33 1qtt s GLU 100 Cb -0.11 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1qtt s GLU 100 CO 0.20 -0.87 0.12 -1.17 -0.54 0.00 0.00 175.26 172.99 1qtt s LEU 101 N 1.44 3.92 -0.21 2.70 0.20 0.58 -2.89 118.68 124.41 1qtt s LEU 101 Ca 0.02 0.05 -0.09 0.00 0.69 0.00 0.00 54.13 54.80 1qtt s LEU 101 Cb -0.22 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 1qtt s LEU 101 CO 0.03 0.08 0.11 -0.76 -0.29 0.00 0.00 176.35 175.52 1qtt s LEU 102 N 0.96 3.95 -0.10 -0.68 1.43 0.19 0.26 118.68 124.69 1qtt s LEU 102 Ca 0.06 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1qtt s LEU 102 Cb -0.13 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1qtt s LEU 102 CO 0.03 0.12 -0.20 -0.76 0.23 0.00 0.00 176.35 175.77 1qtt s LEU 103 N 0.72 2.33 -0.10 1.79 1.43 -1.04 -0.84 118.68 122.97 1qtt s LEU 103 Ca 0.06 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1qtt s LEU 103 Cb -0.13 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1qtt s LEU 103 CO 0.02 0.19 -0.23 -0.75 0.23 0.00 0.00 176.35 175.80 1qtt s LYS 104 N 0.20 2.94 -0.21 1.70 2.47 0.97 0.72 119.74 128.54 1qtt s LYS 104 Ca -0.12 -0.84 -0.04 0.00 -1.56 0.00 0.00 55.97 53.40 1qtt s LYS 104 Cb -0.16 -2.23 -0.02 0.00 -1.46 0.00 0.00 37.83 33.96 1qtt s LYS 104 CO 0.07 0.17 -0.02 -1.17 0.16 0.00 0.00 175.35 174.55 1qtt s LEU 105 N 0.37 3.09 0.30 5.43 2.96 0.25 0.32 118.68 131.39 1qtt s LEU 105 Ca -0.19 -0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 53.20 1qtt s LEU 105 Cb -0.18 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 1qtt s LEU 105 CO 0.09 0.02 0.87 -0.76 -1.32 0.00 0.00 176.35 175.25 1qtt s LEU 106 N 1.24 4.30 0.10 -0.68 2.01 -1.26 -3.19 118.68 121.20 1qtt s LEU 106 Ca 0.03 1.68 -0.30 0.00 0.01 0.00 0.00 54.13 55.55 1qtt s LEU 106 Cb -0.14 -3.92 -0.06 0.00 0.01 0.00 0.00 46.19 42.07 1qtt s LEU 106 CO 0.00 -0.06 1.15 -2.16 1.01 0.00 0.00 176.35 176.28 1qtt s PRO 107 N -2.13 4.50 -1.02 1.29 0.04 -1.26 -4.93 135.00 131.49 1qtt s PRO 107 Ca 0.49 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 63.03 1qtt s PRO 107 Cb -0.17 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1qtt s PRO 107 CO 0.22 -0.12 1.70 0.34 0.04 0.00 0.00 177.00 179.18 1qtt s ASP 108 N 0.61 5.91 -0.04 6.66 -1.08 -1.26 -4.86 116.67 122.61 1qtt s ASP 108 Ca 0.55 -1.28 -0.27 0.00 -0.52 0.00 0.00 52.55 51.02 1qtt s ASP 108 Cb -0.29 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 38.66 1qtt s ASP 108 CO 0.31 -2.06 0.59 -0.62 0.52 0.00 0.00 175.17 173.92 1qtt s ASP 109 N 6.15 -0.55 0.06 -0.34 2.15 -1.26 -5.18 116.67 117.70 1qtt s ASP 109 Ca 0.57 0.57 0.02 0.00 0.43 0.00 0.00 52.55 54.15 1qtt s ASP 109 Cb -0.02 0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1qtt s ASP 109 CO -0.03 -0.58 -0.08 0.00 -0.17 0.00 0.00 175.17 174.32 1qtt s ARG 110 N -1.24 0.61 -0.31 4.34 1.70 -1.26 -5.12 118.95 117.67 1qtt s ARG 110 Ca -0.12 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.15 1qtt s ARG 110 Cb -0.01 -0.30 0.19 0.00 -0.57 0.00 0.00 34.95 34.25 1qtt s ARG 110 CO 0.09 0.04 1.05 0.45 -1.08 0.00 0.00 175.30 175.85 1qtt s SER 111 N -1.90 -0.37 0.44 -2.89 0.15 -1.26 -5.16 113.70 102.72 1qtt s SER 111 Ca -0.05 -0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 1qtt s SER 111 Cb -0.07 0.91 -0.09 0.00 -1.71 0.00 0.00 66.02 65.06 1qtt s SER 111 CO -0.01 -0.06 1.05 -2.16 1.20 0.00 0.00 173.24 173.26 1qtt s PRO 112 N 2.54 3.97 0.00 5.44 0.04 -1.26 -5.05 135.00 140.68 1qtt s PRO 112 Ca 0.23 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1qtt s PRO 112 Cb 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1qtt s PRO 112 CO -0.19 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1qtt n GLY 113 N 0.03 3.69 3.57 0.56 0.00 -1.26 -5.11 105.19 106.67 1qtt n GLY 113 Ca 0.07 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 1qtt n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qtt s ILE 114 N -2.13 4.47 -0.47 -0.61 1.10 -1.26 -4.98 121.20 117.32 1qtt s ILE 114 Ca 0.00 0.75 -0.28 0.00 -0.51 0.00 0.00 60.65 60.61 1qtt s ILE 114 Cb 0.00 -4.44 0.01 0.00 0.15 0.00 0.00 42.46 38.18 1qtt s ILE 114 CO 0.00 -0.83 1.48 -2.28 -2.11 0.00 0.00 174.94 171.19 1qtt s HIS 115 N 3.76 2.26 0.13 3.50 5.65 -1.26 -4.93 115.29 124.39 1qtt s HIS 115 Ca 0.37 0.60 -0.33 0.00 0.25 0.00 0.00 55.06 55.96 1qtt s HIS 115 Cb -0.10 -4.31 -0.18 0.00 -1.18 0.00 0.00 32.58 26.81 1qtt s HIS 115 CO 0.26 -2.09 0.80 -2.13 -0.65 0.00 0.00 174.74 170.94 1qtt n ARG 116 N 8.38 0.17 -0.06 2.88 0.63 -1.26 -5.35 116.66 122.06 1qtt n ARG 116 Ca 0.16 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1qtt n ARG 116 Cb 0.49 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.09 1qtt n ARG 116 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72