#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 -1.18 0.23 1.61 0.01 -1.26 -5.11 113.70 108.01 1qtt s SER 2 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1qtt s SER 2 Cb 0.00 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.10 1qtt s SER 2 CO 0.00 -0.30 0.00 0.23 0.41 0.00 0.00 173.24 173.58 1qtt n MET 3 N 5.41 -2.92 -3.19 12.44 0.00 -1.26 -5.06 117.12 122.54 1qtt n MET 3 Ca 0.03 2.12 0.03 0.00 0.00 0.00 0.00 57.70 59.88 1qtt n MET 3 Cb 0.53 -2.34 -0.01 0.00 0.00 0.00 0.00 33.22 31.39 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 -1.77 -2.22 0.00 3.04 0.00 -1.26 -4.99 121.76 114.56 1qtt s ALA 4 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1qtt s ALA 4 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1qtt s ALA 4 CO 0.00 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1qtt n GLY 5 N 5.43 0.56 1.28 0.00 0.00 -1.26 -4.84 105.19 106.36 1qtt n GLY 5 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qtt n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qtt n GLU 6 N 0.00 -3.47 -3.94 1.61 4.07 -1.26 -5.02 120.64 112.62 1qtt n GLU 6 Ca 0.00 2.66 -0.09 0.00 -0.06 0.00 0.00 57.16 59.66 1qtt n GLU 6 Cb 0.00 -3.19 -0.10 0.00 -0.06 0.00 0.00 31.44 28.09 1qtt n GLU 6 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1qtt s ASP 7 N -4.28 0.19 0.91 4.31 1.11 -1.26 -4.89 116.67 112.75 1qtt s ASP 7 Ca 0.00 -0.50 -0.13 0.00 0.18 0.00 0.00 52.55 52.09 1qtt s ASP 7 Cb 0.00 0.19 0.14 0.00 1.07 0.00 0.00 42.92 44.32 1qtt s ASP 7 CO 0.00 -0.44 1.18 -0.69 1.18 0.00 0.00 175.17 176.40 1qtt s VAL 8 N -2.23 1.97 -0.06 -1.27 1.01 -1.26 -4.95 120.40 113.62 1qtt s VAL 8 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1qtt s VAL 8 Cb -0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1qtt s VAL 8 CO -0.03 0.00 -0.17 0.61 0.00 0.00 0.00 175.10 175.51 1qtt n GLY 9 N -2.75 -0.27 3.64 4.51 0.00 -1.26 -5.08 105.19 103.97 1qtt n GLY 9 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.41 -1.86 0.99 4.61 0.00 -1.26 -5.17 121.76 116.66 1qtt s ALA 10 Ca -0.15 2.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.92 1qtt s ALA 10 Cb 0.03 -1.35 0.19 0.00 0.00 0.00 0.00 23.12 21.99 1qtt s ALA 10 CO 0.22 -0.36 1.18 -1.25 0.00 0.00 0.00 175.76 175.55 1qtt s PRO 11 N 1.14 0.46 -0.85 0.00 0.04 -1.26 -4.93 135.00 129.60 1qtt s PRO 11 Ca -0.06 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 60.76 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 -0.12 -2.61 1.65 -1.25 0.04 0.00 0.00 177.00 174.71 1qtt s PRO 12 N -5.47 3.01 0.59 0.56 0.04 -1.26 -4.80 135.00 127.67 1qtt s PRO 12 Ca 0.68 -0.37 0.31 0.00 0.04 0.00 0.00 61.00 61.67 1qtt s PRO 12 Cb -0.11 -4.86 1.27 0.00 0.04 0.00 0.00 34.50 30.85 1qtt s PRO 12 CO 0.54 -2.65 1.58 0.22 0.04 0.00 0.00 177.00 176.73 1qtt h ASP 13 N 11.28 0.00 -4.77 6.66 1.82 -1.95 -3.39 116.42 126.06 1qtt h ASP 13 Ca -0.01 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1qtt h ASP 13 Cb 1.05 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.85 1qtt h ASP 13 CO 1.29 0.00 -0.18 -1.38 -1.61 0.00 0.00 179.24 177.36 1qtt s HIS 14 N -4.60 -0.32 0.04 0.28 -3.43 -1.26 0.10 115.29 106.09 1qtt s HIS 14 Ca -0.04 0.59 0.05 0.00 -0.80 0.00 0.00 55.06 54.86 1qtt s HIS 14 Cb 0.17 0.17 -0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1qtt s HIS 14 CO 0.58 -0.40 -0.14 -0.51 -2.00 0.00 0.00 174.74 172.27 1qtt s LEU 15 N -1.00 2.17 -0.19 5.38 1.43 -1.14 -3.75 118.68 121.58 1qtt s LEU 15 Ca -0.10 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1qtt s LEU 15 Cb -0.04 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1qtt s LEU 15 CO 0.05 0.03 -0.01 0.26 0.23 0.00 0.00 176.35 176.91 1qtt s TRP 16 N -0.85 1.52 -0.14 0.29 0.51 0.07 -1.93 118.94 118.41 1qtt s TRP 16 Ca 0.02 -1.10 -0.29 0.00 -2.12 0.00 0.00 56.10 52.60 1qtt s TRP 16 Cb -0.08 -1.23 -0.03 0.00 -0.81 0.00 0.00 33.47 31.33 1qtt s TRP 16 CO 0.01 -0.64 1.44 0.54 -0.51 0.00 0.00 176.95 177.80 1qtt s VAL 17 N 1.69 3.96 -0.06 4.03 0.11 -1.03 0.14 120.40 129.24 1qtt s VAL 17 Ca -0.01 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.24 1qtt s VAL 17 Cb -0.17 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 30.82 1qtt s VAL 17 CO -0.07 -0.15 0.03 1.57 -3.33 0.00 0.00 175.10 173.15 1qtt n HIS 18 N 7.06 0.00 -4.16 1.54 -0.00 -0.99 -4.95 115.22 113.72 1qtt n HIS 18 Ca 0.16 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.23 1qtt n HIS 18 Cb 0.44 -0.31 -0.10 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 -2.18 0.81 -0.31 1.57 -1.52 -1.22 -4.09 119.66 112.73 1qtt s GLN 19 Ca -0.03 -1.28 -0.34 0.00 -1.95 0.00 0.00 55.36 51.76 1qtt s GLN 19 Cb 0.02 -0.23 -0.11 0.00 -0.22 0.00 0.00 33.01 32.47 1qtt s GLN 19 CO 0.27 -0.01 2.15 -1.91 -0.25 0.00 0.00 175.29 175.54 1qtt n GLU 20 N 0.11 1.29 -1.37 2.91 2.13 -1.26 0.14 120.64 124.58 1qtt n GLU 20 Ca -0.13 0.37 -0.08 0.00 0.66 0.00 0.00 57.16 57.98 1qtt n GLU 20 Cb 0.60 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.72 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 6.18 0.83 3.20 8.31 0.00 -1.26 -4.94 105.19 117.51 1qtt n GLY 21 Ca 0.38 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.30 1.53 0.05 -0.61 1.09 0.37 0.20 121.20 121.52 1qtt s ILE 22 Ca 0.00 -0.85 0.01 0.00 -1.10 0.00 0.00 60.65 58.72 1qtt s ILE 22 Cb 0.00 -1.28 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 1qtt s ILE 22 CO 0.00 0.42 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.89 1qtt s TYR 23 N -0.47 0.61 -0.14 3.97 2.02 0.15 -2.33 117.35 121.15 1qtt s TYR 23 Ca 0.07 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1qtt s TYR 23 Cb -0.08 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1qtt s TYR 23 CO -0.01 -0.15 -0.04 0.50 -1.57 0.00 0.00 175.55 174.28 1qtt s ARG 24 N -2.24 3.48 0.72 -0.62 3.52 0.38 0.25 118.95 124.44 1qtt s ARG 24 Ca -0.05 -0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 54.91 1qtt s ARG 24 Cb -0.05 -2.85 0.17 0.00 -1.56 0.00 0.00 34.95 30.65 1qtt s ARG 24 CO -0.02 0.34 0.99 -3.47 -0.81 0.00 0.00 175.30 172.33 1qtt n ASP 25 N 3.23 0.15 -1.78 -2.12 4.64 0.49 -0.75 116.55 120.41 1qtt n ASP 25 Ca -0.18 -1.40 -0.07 0.00 -1.38 0.00 0.00 54.79 51.77 1qtt n ASP 25 Cb 0.53 -0.75 0.23 0.00 -1.04 0.00 0.00 41.12 40.09 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 1qtt n GLU 26 N -3.07 3.04 -0.95 -0.67 0.28 -1.25 -3.88 120.64 114.14 1qtt n GLU 26 Ca 0.13 -2.42 -0.01 0.00 -0.16 0.00 0.00 57.16 54.70 1qtt n GLU 26 Cb 0.44 -2.02 -0.02 0.00 1.43 0.00 0.00 31.44 31.27 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 -0.14 0.00 -2.99 -1.84 4.01 -1.26 -4.99 117.16 109.95 1qtt n TYR 27 Ca 0.34 -0.31 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1qtt n TYR 27 Cb 1.21 0.16 0.04 0.00 -0.31 0.00 0.00 39.34 40.44 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 0.14 -3.85 -4.02 -0.72 1.13 -1.25 -5.02 117.38 103.79 1qtt n GLN 28 Ca -0.07 0.41 -0.34 0.00 -1.94 0.00 0.00 57.00 55.06 1qtt n GLN 28 Cb 0.79 -4.18 -0.15 0.00 0.11 0.00 0.00 30.24 26.81 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 -5.49 2.74 0.07 -1.09 0.52 -1.26 -4.91 118.95 109.52 1qtt s ARG 29 Ca 0.24 -1.03 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 1qtt s ARG 29 Cb -0.11 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 1qtt s ARG 29 CO 0.36 -0.40 0.87 0.95 0.02 0.00 0.00 175.30 177.11 1qtt s THR 30 N 1.27 4.65 0.18 0.02 -4.23 -1.26 0.19 115.64 116.46 1qtt s THR 30 Ca -0.01 1.86 0.09 0.00 -1.18 0.00 0.00 61.69 62.46 1qtt s THR 30 Cb -0.17 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1qtt s THR 30 CO -0.06 0.32 -0.12 0.26 -0.54 0.00 0.00 174.62 174.47 1qtt s TRP 31 N 0.09 2.57 -0.49 3.99 0.52 0.69 -2.20 118.94 124.10 1qtt s TRP 31 Ca 0.43 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.32 1qtt s TRP 31 Cb -0.22 -1.25 0.13 0.00 -1.15 0.00 0.00 33.47 30.98 1qtt s TRP 31 CO 0.26 0.51 0.26 0.08 0.02 0.00 0.00 176.95 178.08 1qtt s VAL 32 N -1.71 2.95 -0.45 4.03 1.01 0.66 0.31 120.40 127.20 1qtt s VAL 32 Ca 0.24 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 59.12 1qtt s VAL 32 Cb -0.09 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1qtt s VAL 32 CO 0.14 -0.76 1.18 0.00 0.00 0.00 0.00 175.10 175.66 1qtt s ALA 33 N 0.25 3.17 -1.08 5.51 0.00 0.52 -0.90 121.76 129.23 1qtt s ALA 33 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1qtt s ALA 33 Cb -0.22 -3.88 0.27 0.00 0.00 0.00 0.00 23.12 19.28 1qtt s ALA 33 CO -0.03 -2.20 1.08 0.08 0.00 0.00 0.00 175.76 174.69 1qtt s VAL 34 N 4.54 5.94 -0.44 0.00 1.01 0.49 -4.20 120.40 127.74 1qtt s VAL 34 Ca 0.50 -3.30 -0.37 0.00 0.00 0.00 0.00 61.98 58.81 1qtt s VAL 34 Cb -0.09 -4.60 -0.14 0.00 0.00 0.00 0.00 36.38 31.55 1qtt s VAL 34 CO 0.30 -1.18 2.21 0.55 0.00 0.00 0.00 175.10 176.99 1qtt n VAL 35 N 2.89 0.11 -3.84 2.92 3.14 -1.26 -2.96 118.33 119.32 1qtt n VAL 35 Ca 0.23 -0.18 -0.34 0.00 -2.96 0.00 0.00 64.34 61.10 1qtt n VAL 35 Cb 0.40 -1.25 -0.12 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 6.40 2.12 -0.66 1.45 2.56 0.45 -4.97 118.70 126.05 1qtt s GLU 36 Ca 1.14 -2.33 -0.27 0.00 0.00 0.00 0.00 54.97 53.51 1qtt s GLU 36 Cb -1.06 -3.50 -0.12 0.00 2.00 0.00 0.00 34.13 31.44 1qtt s GLU 36 CO 0.54 -1.10 2.50 0.39 -0.56 0.00 0.00 175.26 177.02 1qtt n GLU 37 N 3.69 0.70 -0.68 4.30 4.71 -1.26 -2.70 120.64 129.40 1qtt n GLU 37 Ca 0.05 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1qtt n GLU 37 Cb 0.37 -2.85 0.17 0.00 -1.01 0.00 0.00 31.44 28.12 1qtt n GLU 37 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1qtt n GLU 38 N 8.79 -0.75 -0.33 3.49 -0.58 0.59 -4.81 120.64 127.03 1qtt n GLU 38 Ca 0.46 -0.17 0.30 0.00 -0.42 0.00 0.00 57.16 57.33 1qtt n GLU 38 Cb 0.39 -2.15 0.63 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.92 0.43 -0.08 2.62 2.02 -2.04 -3.01 112.91 110.94 1qtt h THR 39 Ca -0.46 -0.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.47 1qtt h THR 39 Cb 1.29 0.23 -0.20 0.00 -1.74 0.00 0.00 68.15 67.72 1qtt h THR 39 CO 0.40 0.04 -0.46 -0.24 0.37 0.00 0.00 175.52 175.63 1qtt n SER 40 N -4.43 -0.76 -2.50 4.18 2.88 -1.26 -5.13 113.62 106.59 1qtt n SER 40 Ca 0.27 -2.14 -0.08 0.00 -1.33 0.00 0.00 58.87 55.58 1qtt n SER 40 Cb 1.09 0.38 0.02 0.00 -0.75 0.00 0.00 64.21 64.96 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qtt n PHE 41 N -1.08 -2.06 -3.96 0.66 3.72 -1.14 -5.04 117.46 108.56 1qtt n PHE 41 Ca -0.14 -1.59 -0.31 0.00 -0.05 0.00 0.00 57.45 55.36 1qtt n PHE 41 Cb 0.85 0.74 -0.15 0.00 -0.94 0.00 0.00 39.48 39.99 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 4.29 -0.22 4.37 2.01 -1.24 -0.30 118.68 127.59 1qtt s LEU 42 Ca 0.14 -2.26 -0.07 0.00 0.01 0.00 0.00 54.13 51.95 1qtt s LEU 42 Cb -0.04 -1.51 -0.04 0.00 0.01 0.00 0.00 46.19 44.62 1qtt s LEU 42 CO 0.11 -0.35 0.07 -0.60 1.01 0.00 0.00 176.35 176.58 1qtt s ARG 43 N 0.77 3.82 -0.55 1.70 3.52 -1.10 -0.54 118.95 126.57 1qtt s ARG 43 Ca 0.12 -0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1qtt s ARG 43 Cb -0.20 -3.28 0.14 0.00 -1.56 0.00 0.00 34.95 30.06 1qtt s ARG 43 CO -0.08 0.05 0.34 0.00 -0.81 0.00 0.00 175.30 174.79 1qtt s ALA 44 N 0.99 3.41 -0.34 6.12 0.00 0.21 0.17 121.76 132.33 1qtt s ALA 44 Ca 0.04 -3.10 -0.28 0.00 0.00 0.00 0.00 51.96 48.62 1qtt s ALA 44 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1qtt s ALA 44 CO 0.03 -2.01 1.81 0.50 0.00 0.00 0.00 175.76 176.08 1qtt s ARG 45 N 0.14 3.30 -0.39 0.00 3.52 -1.16 -2.42 118.95 121.95 1qtt s ARG 45 Ca 0.15 1.40 -0.16 0.00 -0.13 0.00 0.00 55.73 56.99 1qtt s ARG 45 Cb -0.22 -4.21 0.01 0.00 -1.56 0.00 0.00 34.95 28.97 1qtt s ARG 45 CO -0.03 -1.90 0.36 0.08 -0.81 0.00 0.00 175.30 172.99 1qtt s VAL 46 N 7.01 5.18 -0.16 7.11 1.01 0.42 0.19 120.40 141.16 1qtt s VAL 46 Ca 0.79 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1qtt s VAL 46 Cb -0.22 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1qtt s VAL 46 CO 0.33 -0.26 -0.02 -1.58 0.00 0.00 0.00 175.10 173.57 1qtt s GLN 47 N 1.93 3.69 -0.16 2.72 0.74 -0.08 0.19 119.66 128.69 1qtt s GLN 47 Ca 0.09 -0.49 -0.23 0.00 0.05 0.00 0.00 55.36 54.78 1qtt s GLN 47 Cb -0.18 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 1qtt s GLN 47 CO 0.12 0.27 0.71 -1.14 -0.55 0.00 0.00 175.29 174.69 1qtt s GLN 48 N 0.31 4.28 0.14 1.67 2.00 0.16 0.24 119.66 128.46 1qtt s GLN 48 Ca -0.03 0.80 -0.15 0.00 -2.00 0.00 0.00 55.36 53.98 1qtt s GLN 48 Cb -0.14 -3.55 0.03 0.00 0.80 0.00 0.00 33.01 30.15 1qtt s GLN 48 CO 0.03 -0.21 0.40 0.96 -0.50 0.00 0.00 175.29 175.97 1qtt s ILE 49 N 1.77 0.07 -0.78 -2.34 -0.00 -0.93 -3.97 121.20 115.01 1qtt s ILE 49 Ca 0.33 -0.73 -0.18 0.00 -0.00 0.00 0.00 60.65 60.07 1qtt s ILE 49 Cb -0.16 -1.32 0.14 0.00 -0.00 0.00 0.00 42.46 41.11 1qtt s ILE 49 CO 0.12 -0.30 0.91 -1.10 -0.00 0.00 0.00 174.94 174.57 1qtt s GLN 50 N -3.84 3.39 -0.01 0.37 -1.52 -1.26 -4.13 119.66 112.66 1qtt s GLN 50 Ca 0.06 -1.69 0.01 0.00 -1.95 0.00 0.00 55.36 51.79 1qtt s GLN 50 Cb 0.02 -4.55 0.00 0.00 -0.22 0.00 0.00 33.01 28.25 1qtt s GLN 50 CO -0.09 -1.61 -0.05 0.14 -0.25 0.00 0.00 175.29 173.44 1qtt s VAL 51 N 2.28 0.40 -0.10 1.09 -7.23 -1.26 -5.12 120.40 110.46 1qtt s VAL 51 Ca 0.22 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 1qtt s VAL 51 Cb -0.13 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1qtt s VAL 51 CO -0.03 0.13 1.24 -2.16 -0.31 0.00 0.00 175.10 173.97 1qtt s PRO 52 N 0.05 4.30 -0.32 4.82 0.04 -1.26 -4.84 135.00 137.78 1qtt s PRO 52 Ca -0.00 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1qtt s PRO 52 Cb -0.04 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1qtt s PRO 52 CO -0.00 -0.56 2.11 -0.51 0.04 0.00 0.00 177.00 178.07 1qtt s LEU 53 N 2.78 3.44 0.00 -3.56 1.02 -1.26 -4.93 118.68 116.16 1qtt s LEU 53 Ca 0.56 1.49 0.00 0.00 0.02 0.00 0.00 54.13 56.20 1qtt s LEU 53 Cb -0.24 -3.28 0.00 0.00 0.02 0.00 0.00 46.19 42.69 1qtt s LEU 53 CO 0.19 -2.08 0.00 0.61 0.02 0.00 0.00 176.35 175.09 1qtt n GLY 54 N 5.71 -2.02 0.85 -3.19 0.00 -1.26 -4.95 105.19 100.32 1qtt n GLY 54 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.18 -2.87 1.61 8.00 -1.26 -5.03 116.55 114.83 1qtt n ASP 55 Ca 0.00 -0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.02 1qtt n ASP 55 Cb 0.00 -0.26 0.05 0.00 -0.02 0.00 0.00 41.12 40.89 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qtt n ALA 56 N -3.66 0.08 -2.38 2.24 0.00 -1.26 -4.61 120.51 110.91 1qtt n ALA 56 Ca -0.05 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.35 1qtt n ALA 56 Cb 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.32 0.00 -3.06 0.00 0.00 -1.26 -5.03 120.51 111.48 1qtt n ALA 57 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1qtt n ALA 57 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 1.19 -0.03 0.00 1.74 -1.26 -4.79 116.66 113.50 1qtt n ARG 58 Ca 0.00 -3.47 -0.13 0.00 -0.77 0.00 0.00 57.85 53.48 1qtt n ARG 58 Cb 0.00 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 29.67 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 -0.02 -0.37 5.56 0.13 -1.98 -2.08 132.00 136.24 1qtt h PRO 59 Ca 0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.11 1qtt h PRO 59 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1qtt h PRO 59 CO 0.53 0.69 -0.15 1.03 -0.23 0.00 0.00 178.00 179.86 1qtt h SER 60 N -0.77 0.65 -0.46 1.44 0.87 -1.94 1.45 113.55 114.79 1qtt h SER 60 Ca -0.00 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1qtt h SER 60 Cb 0.72 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1qtt h SER 60 CO 0.00 0.82 0.07 0.45 -0.53 0.00 0.00 176.83 177.65 1qtt h HIS 61 N 0.60 0.88 0.14 2.24 3.86 -1.93 1.71 115.15 122.65 1qtt h HIS 61 Ca 0.10 -0.10 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 1qtt h HIS 61 Cb 0.60 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1qtt h HIS 61 CO 0.03 0.77 -1.55 -0.07 0.86 0.00 0.00 177.93 177.97 1qtt h LEU 62 N 0.80 0.45 0.02 2.43 -0.00 -0.92 -2.53 115.31 115.56 1qtt h LEU 62 Ca 0.16 -0.62 -0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1qtt h LEU 62 Cb 0.38 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1qtt h LEU 62 CO 0.01 1.51 -0.01 0.25 -0.00 0.00 0.00 178.44 180.20 1qtt h LEU 63 N 0.08 -0.02 0.06 1.67 6.46 0.22 -3.41 115.31 120.38 1qtt h LEU 63 Ca -0.25 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1qtt h LEU 63 Cb 2.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.97 1qtt h LEU 63 CO 0.17 0.01 -0.03 0.74 -0.62 0.00 0.00 178.44 178.71 1qtt h THR 64 N -0.06 0.00 -2.86 1.05 2.02 0.23 -3.48 112.91 109.80 1qtt h THR 64 Ca -0.00 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 1qtt h THR 64 Cb 0.02 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.48 1qtt h THR 64 CO 0.00 0.00 -0.26 -1.54 0.37 0.00 0.00 175.52 174.09 1qtt n SER 65 N -2.41 -3.61 0.03 4.18 3.41 -0.20 -4.96 113.62 110.06 1qtt n SER 65 Ca -0.01 -0.21 -0.01 0.00 -0.26 0.00 0.00 58.87 58.38 1qtt n SER 65 Cb 0.03 -2.23 -0.00 0.00 -0.26 0.00 0.00 64.21 61.75 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 -2.22 0.07 -2.07 4.33 1.13 -1.26 -5.04 117.38 112.32 1qtt n GLN 66 Ca -0.00 0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.69 1qtt n GLN 66 Cb 0.52 -0.60 -0.01 0.00 0.11 0.00 0.00 30.24 30.26 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 -7.06 4.30 0.94 1.08 1.02 -1.26 -5.01 118.68 112.70 1qtt s LEU 67 Ca -0.04 2.68 -0.13 0.00 0.02 0.00 0.00 54.13 56.67 1qtt s LEU 67 Cb 0.00 -3.79 0.16 0.00 0.02 0.00 0.00 46.19 42.58 1qtt s LEU 67 CO 0.05 -0.72 1.15 -2.16 0.02 0.00 0.00 176.35 174.69 1qtt s PRO 68 N -2.06 0.90 0.36 1.29 0.04 -1.26 -4.95 135.00 129.32 1qtt s PRO 68 Ca 0.53 0.20 0.26 0.00 0.04 0.00 0.00 61.00 62.03 1qtt s PRO 68 Cb -0.39 -1.82 0.73 0.00 0.04 0.00 0.00 34.50 33.06 1qtt s PRO 68 CO 0.51 -2.34 1.73 1.25 0.04 0.00 0.00 177.00 178.19 1qtt h LEU 69 N -1.60 0.00 -7.00 -3.56 7.12 -1.94 -3.44 115.31 104.89 1qtt h LEU 69 Ca -0.50 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.49 1qtt h LEU 69 Cb 1.32 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.24 1qtt h LEU 69 CO 0.58 0.00 0.25 -0.32 -0.13 0.00 0.00 178.44 178.81 1qtt s MET 70 N -3.25 0.87 0.17 1.25 1.75 -1.26 -2.46 119.30 116.37 1qtt s MET 70 Ca 0.07 0.52 0.08 0.00 -1.25 0.00 0.00 55.69 55.10 1qtt s MET 70 Cb 0.09 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.13 1qtt s MET 70 CO 0.59 -0.21 -0.02 -1.58 -0.65 0.00 0.00 175.02 173.15 1qtt s TRP 71 N -0.53 2.80 -0.34 4.11 0.51 -0.81 -3.45 118.94 121.23 1qtt s TRP 71 Ca -0.05 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 53.78 1qtt s TRP 71 Cb -0.02 -1.36 0.11 0.00 -0.81 0.00 0.00 33.47 31.39 1qtt s TRP 71 CO 0.04 0.51 0.15 -1.14 -0.51 0.00 0.00 176.95 176.01 1qtt s GLN 72 N -2.90 0.72 -0.33 4.98 2.00 0.49 -2.89 119.66 121.73 1qtt s GLN 72 Ca 0.27 -1.22 -0.39 0.00 -2.00 0.00 0.00 55.36 52.01 1qtt s GLN 72 Cb -0.09 -1.81 -0.15 0.00 0.80 0.00 0.00 33.01 31.76 1qtt s GLN 72 CO 0.18 -1.07 1.91 -0.11 -0.50 0.00 0.00 175.29 175.70 1qtt n LEU 73 N 4.50 2.14 0.00 3.68 7.94 0.11 0.56 117.00 135.94 1qtt n LEU 73 Ca 0.02 0.85 -0.18 0.00 -1.11 0.00 0.00 56.01 55.59 1qtt n LEU 73 Cb 0.40 -1.15 0.06 0.00 0.53 0.00 0.00 43.42 43.26 1qtt n LEU 73 CO 0.13 -0.55 0.35 -1.22 -1.11 0.00 0.00 177.39 175.00 1qtt n TYR 74 N 6.84 -2.33 -1.53 1.96 4.02 0.21 -4.82 117.16 121.51 1qtt n TYR 74 Ca 0.34 -2.01 -0.29 0.00 -0.01 0.00 0.00 57.90 55.93 1qtt n TYR 74 Cb 0.14 -0.52 0.15 0.00 -0.02 0.00 0.00 39.34 39.09 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 -4.49 0.80 0.00 -0.72 0.04 -1.26 -4.13 135.00 125.23 1qtt s PRO 75 Ca 0.58 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1qtt s PRO 75 Cb -0.05 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1qtt s PRO 75 CO 0.37 -2.41 0.00 -1.91 0.04 0.00 0.00 177.00 173.09 1qtt n GLU 76 N -3.89 0.00 0.00 4.56 0.00 -1.26 -3.58 120.64 116.47 1qtt n GLU 76 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1qtt n GLU 76 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 1qtt n GLU 76 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1qtt n GLU 77 N 0.00 0.00 -3.86 5.31 0.28 -1.26 -5.16 120.64 115.94 1qtt n GLU 77 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1qtt n GLU 77 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1qtt s ARG 78 N 0.00 1.13 -0.19 3.44 0.52 -1.24 -2.92 118.95 119.70 1qtt s ARG 78 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1qtt s ARG 78 Cb 0.00 0.41 0.01 0.00 0.52 0.00 0.00 34.95 35.89 1qtt s ARG 78 CO 0.00 -0.42 -0.15 0.71 0.02 0.00 0.00 175.30 175.46 1qtt s TYR 79 N -3.91 2.83 -0.22 -0.53 1.51 0.24 0.64 117.35 117.91 1qtt s TYR 79 Ca 0.12 -1.37 -0.14 0.00 -1.01 0.00 0.00 57.07 54.66 1qtt s TYR 79 Cb 0.03 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1qtt s TYR 79 CO -0.04 -0.70 0.34 1.41 -1.11 0.00 0.00 175.55 175.45 1qtt s MET 80 N 1.30 4.12 0.68 -0.62 -2.45 0.19 0.28 119.30 122.81 1qtt s MET 80 Ca 0.04 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1qtt s MET 80 Cb -0.14 -3.56 0.11 0.00 1.25 0.00 0.00 34.83 32.50 1qtt s MET 80 CO -0.09 -0.06 0.95 0.16 1.05 0.00 0.00 175.02 177.03 1qtt s ASP 81 N 1.15 4.54 0.00 1.11 -4.77 -0.57 0.18 116.67 118.31 1qtt s ASP 81 Ca 0.16 -0.37 0.23 0.00 -3.30 0.00 0.00 52.55 49.26 1qtt s ASP 81 Cb -0.15 -0.08 0.12 0.00 -1.09 0.00 0.00 42.92 41.72 1qtt s ASP 81 CO 0.07 -1.72 1.19 -3.20 0.70 0.00 0.00 175.17 172.22 1qtt n ASN 82 N -2.71 2.67 0.00 2.11 2.85 -1.22 -4.04 115.26 114.91 1qtt n ASN 82 Ca 0.14 -1.83 0.14 0.00 -0.11 0.00 0.00 54.58 52.92 1qtt n ASN 82 Cb 0.61 0.16 0.82 0.00 1.24 0.00 0.00 39.78 42.60 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 0.89 0.00 -0.40 1.20 2.85 -1.26 -4.84 115.26 113.70 1qtt n ASN 83 Ca 0.12 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.90 1qtt n ASN 83 Cb 0.55 -0.08 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 -1.08 -1.44 -3.89 1.20 2.88 -1.26 -5.09 113.62 104.95 1qtt n SER 84 Ca 0.20 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.64 1qtt n SER 84 Cb 0.13 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.49 0.71 -0.20 -1.46 0.52 -1.26 -5.07 118.95 108.71 1qtt s ARG 85 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1qtt s ARG 85 Cb 0.00 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.79 1qtt s ARG 85 CO 0.00 -0.20 -0.15 -1.17 0.02 0.00 0.00 175.30 173.80 1qtt s LEU 86 N -2.41 2.40 -0.01 2.53 1.98 -1.26 -1.51 118.68 120.39 1qtt s LEU 86 Ca -0.01 -0.85 -0.12 0.00 -2.89 0.00 0.00 54.13 50.26 1qtt s LEU 86 Cb 0.02 -1.40 -0.05 0.00 0.66 0.00 0.00 46.19 45.41 1qtt s LEU 86 CO -0.07 -0.08 0.35 0.26 -1.89 0.00 0.00 176.35 174.92 1qtt s TRP 87 N 1.30 3.68 -0.24 5.38 0.52 0.14 -4.03 118.94 125.69 1qtt s TRP 87 Ca 0.01 0.86 -0.10 0.00 0.02 0.00 0.00 56.10 56.89 1qtt s TRP 87 Cb -0.15 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1qtt s TRP 87 CO -0.10 0.64 0.14 -1.14 0.02 0.00 0.00 176.95 176.51 1qtt s GLN 88 N -1.21 3.99 -0.69 4.98 0.74 0.92 0.80 119.66 129.18 1qtt s GLN 88 Ca 0.24 -0.31 -0.26 0.00 0.05 0.00 0.00 55.36 55.08 1qtt s GLN 88 Cb -0.15 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.39 1qtt s GLN 88 CO 0.12 0.04 2.29 0.42 -0.55 0.00 0.00 175.29 177.61 1qtt s ILE 89 N 1.10 3.11 0.19 -2.34 -1.09 -1.15 -0.02 121.20 121.00 1qtt s ILE 89 Ca 0.07 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 1qtt s ILE 89 Cb -0.14 -3.26 0.13 0.00 -1.58 0.00 0.00 42.46 37.61 1qtt s ILE 89 CO 0.05 -0.25 1.68 1.56 -1.23 0.00 0.00 174.94 176.75 1qtt h GLN 90 N 14.95 0.11 -1.30 2.79 1.08 0.16 -3.44 115.11 129.46 1qtt h GLN 90 Ca -0.09 -0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.26 1qtt h GLN 90 Cb 1.10 -0.02 -0.30 0.00 -0.05 0.00 0.00 27.48 28.21 1qtt h GLN 90 CO 1.11 0.07 0.57 -3.38 -0.95 0.00 0.00 178.83 176.25 1qtt s HIS 91 N -6.17 -0.32 -0.24 2.96 -3.43 -1.19 -4.97 115.29 101.93 1qtt s HIS 91 Ca -0.13 0.64 0.02 0.00 -0.80 0.00 0.00 55.06 54.78 1qtt s HIS 91 Cb 0.16 0.20 0.05 0.00 -1.43 0.00 0.00 32.58 31.57 1qtt s HIS 91 CO 0.72 -0.16 -0.11 -1.58 -2.00 0.00 0.00 174.74 171.61 1qtt s HIS 92 N 1.14 2.96 0.32 0.38 2.46 -1.26 -0.70 115.29 120.59 1qtt s HIS 92 Ca -0.08 -2.05 -0.00 0.00 0.47 0.00 0.00 55.06 53.40 1qtt s HIS 92 Cb -0.03 -1.84 -0.01 0.00 -0.13 0.00 0.00 32.58 30.57 1qtt s HIS 92 CO -0.12 -0.84 0.38 -0.48 -2.47 0.00 0.00 174.74 171.21 1qtt s LEU 93 N 1.21 1.19 -0.08 8.88 2.34 -1.13 -4.96 118.68 126.14 1qtt s LEU 93 Ca -0.06 -1.52 0.03 0.00 0.06 0.00 0.00 54.13 52.65 1qtt s LEU 93 Cb -0.18 1.11 0.01 0.00 -0.56 0.00 0.00 46.19 46.56 1qtt s LEU 93 CO -0.07 -1.17 -0.17 -0.32 -1.06 0.00 0.00 176.35 173.56 1qtt s MET 94 N -3.35 2.20 -0.00 1.48 -2.45 -1.26 -0.25 119.30 115.67 1qtt s MET 94 Ca 0.34 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1qtt s MET 94 Cb 0.01 -1.74 -0.01 0.00 1.25 0.00 0.00 34.83 34.34 1qtt s MET 94 CO 0.21 0.10 -0.07 0.08 1.05 0.00 0.00 175.02 176.38 1qtt s VAL 95 N 0.51 0.57 -1.53 10.11 1.01 0.45 -4.79 120.40 126.73 1qtt s VAL 95 Ca -0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1qtt s VAL 95 Cb -0.16 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 35.85 1qtt s VAL 95 CO 0.06 0.15 0.71 0.54 0.00 0.00 0.00 175.10 176.55 1qtt n ARG 96 N 2.86 -3.46 -1.73 2.72 5.12 -1.26 0.19 116.66 121.10 1qtt n ARG 96 Ca -0.13 0.42 -0.14 0.00 -1.93 0.00 0.00 57.85 56.07 1qtt n ARG 96 Cb 0.57 -5.16 -0.04 0.00 -1.16 0.00 0.00 32.46 26.68 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 -1.33 0.79 3.07 -0.13 0.00 -1.26 -4.99 105.19 101.34 1qtt n GLY 97 Ca 0.05 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.57 1.38 -0.33 1.61 1.01 0.52 -5.00 120.40 117.01 1qtt s VAL 98 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1qtt s VAL 98 Cb 0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1qtt s VAL 98 CO 0.00 0.41 0.68 -1.10 0.00 0.00 0.00 175.10 175.08 1qtt s GLN 99 N 0.61 3.82 -0.43 2.72 -0.21 -1.25 0.17 119.66 125.09 1qtt s GLN 99 Ca -0.15 0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.40 1qtt s GLN 99 Cb -0.16 -3.77 0.09 0.00 1.00 0.00 0.00 33.01 30.17 1qtt s GLN 99 CO 0.05 -0.68 0.28 -2.00 -2.12 0.00 0.00 175.29 170.81 1qtt s GLU 100 N 2.76 2.56 -0.27 2.91 2.12 0.65 0.39 118.70 129.82 1qtt s GLU 100 Ca 0.27 -1.54 -0.12 0.00 0.36 0.00 0.00 54.97 53.95 1qtt s GLU 100 Cb -0.14 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1qtt s GLU 100 CO 0.14 -1.01 0.22 -1.17 -0.54 0.00 0.00 175.26 172.89 1qtt s LEU 101 N 1.40 4.04 -0.27 2.70 0.20 0.52 -2.82 118.68 124.45 1qtt s LEU 101 Ca 0.04 0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.79 1qtt s LEU 101 Cb -0.24 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.31 1qtt s LEU 101 CO 0.01 -0.05 0.30 -0.76 -0.29 0.00 0.00 176.35 175.56 1qtt s LEU 102 N 1.66 4.03 -0.14 -0.68 1.43 0.13 0.16 118.68 125.27 1qtt s LEU 102 Ca 0.09 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1qtt s LEU 102 Cb -0.15 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1qtt s LEU 102 CO 0.10 -0.13 -0.06 -0.76 0.23 0.00 0.00 176.35 175.74 1qtt s LEU 103 N 1.92 3.16 -0.10 1.79 1.43 -1.01 0.18 118.68 126.05 1qtt s LEU 103 Ca 0.12 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1qtt s LEU 103 Cb -0.16 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1qtt s LEU 103 CO 0.10 0.19 -0.23 -0.75 0.23 0.00 0.00 176.35 175.90 1qtt s LYS 104 N 0.20 2.92 -0.23 1.70 2.47 0.97 0.68 119.74 128.45 1qtt s LYS 104 Ca -0.03 -0.84 -0.06 0.00 -1.56 0.00 0.00 55.97 53.48 1qtt s LYS 104 Cb -0.14 -2.22 -0.02 0.00 -1.46 0.00 0.00 37.83 33.99 1qtt s LYS 104 CO 0.03 0.17 0.03 -1.17 0.16 0.00 0.00 175.35 174.58 1qtt s LEU 105 N 0.35 3.32 0.07 5.43 2.96 0.29 0.31 118.68 131.41 1qtt s LEU 105 Ca -0.18 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1qtt s LEU 105 Cb -0.18 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1qtt s LEU 105 CO 0.08 0.01 0.33 -0.76 -1.32 0.00 0.00 176.35 174.69 1qtt s LEU 106 N 1.35 4.33 -0.14 -0.68 1.02 -1.26 -3.59 118.68 119.72 1qtt s LEU 106 Ca 0.05 0.62 -0.29 0.00 0.02 0.00 0.00 54.13 54.52 1qtt s LEU 106 Cb -0.15 -2.96 -0.02 0.00 0.02 0.00 0.00 46.19 43.09 1qtt s LEU 106 CO 0.02 0.17 1.26 -2.16 0.02 0.00 0.00 176.35 175.66 1qtt s PRO 107 N -2.10 4.26 -0.97 1.29 0.04 -1.26 -4.84 135.00 131.42 1qtt s PRO 107 Ca 0.33 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 1qtt s PRO 107 Cb -0.13 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 1qtt s PRO 107 CO 0.20 -0.66 1.79 -0.51 0.04 0.00 0.00 177.00 177.86 1qtt s ASP 108 N 1.90 5.60 -0.23 6.66 1.11 -1.26 -4.28 116.67 126.18 1qtt s ASP 108 Ca 0.55 -1.04 -0.09 0.00 0.18 0.00 0.00 52.55 52.16 1qtt s ASP 108 Cb -0.23 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.23 1qtt s ASP 108 CO 0.17 -2.34 0.17 -0.67 1.18 0.00 0.00 175.17 173.68 1qtt n ASP 109 N 12.28 -2.78 -3.49 0.27 -0.08 -1.26 -4.74 116.55 116.74 1qtt n ASP 109 Ca 0.39 1.38 -0.45 0.00 -1.51 0.00 0.00 54.79 54.60 1qtt n ASP 109 Cb 0.48 -5.29 -0.06 0.00 2.34 0.00 0.00 41.12 38.59 1qtt n ASP 109 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1qtt n ARG 110 N 1.41 0.00 -3.72 -0.67 1.74 -1.26 -4.89 116.66 109.27 1qtt n ARG 110 Ca -0.29 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.41 1qtt n ARG 110 Cb 0.46 -1.11 -0.11 0.00 -1.02 0.00 0.00 32.46 30.68 1qtt n ARG 110 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qtt s SER 111 N -0.11 5.36 0.26 0.55 1.04 -1.26 -5.08 113.70 114.47 1qtt s SER 111 Ca 0.68 -2.09 -0.30 0.00 0.48 0.00 0.00 55.95 54.72 1qtt s SER 111 Cb -0.95 -1.87 -0.09 0.00 0.10 0.00 0.00 66.02 63.20 1qtt s SER 111 CO 0.44 -0.56 1.09 -2.16 0.98 0.00 0.00 173.24 173.03 1qtt s PRO 112 N 1.07 4.65 -0.12 4.02 0.04 -1.26 -5.04 135.00 138.35 1qtt s PRO 112 Ca 0.09 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 1qtt s PRO 112 Cb -0.23 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.16 1qtt s PRO 112 CO -0.03 0.22 0.25 0.20 0.04 0.00 0.00 177.00 177.68 1qtt s GLY 113 N -0.79 -0.12 0.09 0.56 0.00 -1.26 -5.15 107.32 100.65 1qtt s GLY 113 Ca 0.45 0.95 0.05 0.00 0.00 0.00 0.00 44.72 46.17 1qtt s GLY 113 CO 0.39 1.70 -0.13 -0.42 0.00 0.00 0.00 173.10 174.64 1qtt s ILE 114 N 1.99 1.13 -0.30 0.90 1.09 -1.26 -5.13 121.20 119.62 1qtt s ILE 114 Ca -0.03 -1.52 -0.18 0.00 -1.10 0.00 0.00 60.65 57.83 1qtt s ILE 114 Cb -0.11 -1.28 0.19 0.00 -1.06 0.00 0.00 42.46 40.19 1qtt s ILE 114 CO -0.08 -0.37 1.20 -2.28 -0.10 0.00 0.00 174.94 173.31 1qtt s HIS 115 N -1.84 -0.25 -0.13 3.97 2.46 -1.26 -5.17 115.29 113.07 1qtt s HIS 115 Ca 0.03 0.44 -0.10 0.00 0.47 0.00 0.00 55.06 55.90 1qtt s HIS 115 Cb -0.07 0.15 0.04 0.00 -0.13 0.00 0.00 32.58 32.57 1qtt s HIS 115 CO 0.02 -0.13 0.33 0.50 -2.47 0.00 0.00 174.74 172.99 1qtt s ARG 116 N 2.19 0.36 0.00 2.88 3.52 -1.26 -5.38 118.95 121.26 1qtt s ARG 116 Ca -0.00 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1qtt s ARG 116 Cb -0.02 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1qtt s ARG 116 CO -0.16 -0.08 0.00 -3.47 -0.81 0.00 0.00 175.30 170.78