#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 1.64 -0.40 1.61 1.04 -1.26 -5.13 113.70 111.19 1qtt s SER 2 Ca 0.00 -1.65 0.01 0.00 0.48 0.00 0.00 55.95 54.79 1qtt s SER 2 Cb 0.00 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.79 1qtt s SER 2 CO 0.00 -0.97 0.84 -0.32 0.98 0.00 0.00 173.24 173.77 1qtt s MET 3 N -3.67 0.61 0.70 4.02 -2.45 -1.26 -5.15 119.30 112.10 1qtt s MET 3 Ca 0.36 -0.38 -0.16 0.00 -1.25 0.00 0.00 55.69 54.27 1qtt s MET 3 Cb 0.04 0.03 0.02 0.00 1.25 0.00 0.00 34.83 36.17 1qtt s MET 3 CO 0.21 -0.83 1.23 0.00 1.05 0.00 0.00 175.02 176.69 1qtt s ALA 4 N 1.52 2.20 0.00 4.11 0.00 -1.26 -5.01 121.76 123.33 1qtt s ALA 4 Ca 0.20 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1qtt s ALA 4 Cb 0.01 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1qtt s ALA 4 CO -0.09 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.30 1qtt n GLY 5 N 0.56 0.87 3.64 0.00 0.00 -1.26 -5.18 105.19 103.83 1qtt n GLY 5 Ca 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 0.34 -0.03 1.61 2.56 -1.26 -5.17 118.70 114.74 1qtt s GLU 6 Ca 0.00 0.49 -0.07 0.00 0.00 0.00 0.00 54.97 55.38 1qtt s GLU 6 Cb 0.00 0.12 0.01 0.00 2.00 0.00 0.00 34.13 36.26 1qtt s GLU 6 CO 0.00 -0.05 0.17 -0.51 -0.56 0.00 0.00 175.26 174.31 1qtt s ASP 7 N 0.71 -0.09 1.15 -1.70 1.11 -1.26 -4.87 116.67 111.71 1qtt s ASP 7 Ca -0.02 0.08 -0.16 0.00 0.18 0.00 0.00 52.55 52.63 1qtt s ASP 7 Cb -0.04 0.30 0.26 0.00 1.07 0.00 0.00 42.92 44.51 1qtt s ASP 7 CO -0.11 -0.23 1.07 -0.69 1.18 0.00 0.00 175.17 176.38 1qtt s VAL 8 N -0.69 1.78 -0.15 -1.27 1.01 -1.26 -4.97 120.40 114.85 1qtt s VAL 8 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1qtt s VAL 8 Cb -0.05 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1qtt s VAL 8 CO 0.01 0.00 -0.23 0.61 0.00 0.00 0.00 175.10 175.49 1qtt n GLY 9 N -0.41 -0.32 3.63 4.51 0.00 -1.26 -5.07 105.19 106.27 1qtt n GLY 9 Ca 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.43 -1.83 1.01 4.61 0.00 -1.26 -5.18 121.76 116.68 1qtt s ALA 10 Ca -0.23 2.15 -0.15 0.00 0.00 0.00 0.00 51.96 53.73 1qtt s ALA 10 Cb 0.07 -1.28 0.20 0.00 0.00 0.00 0.00 23.12 22.11 1qtt s ALA 10 CO 0.30 -0.35 1.18 -1.25 0.00 0.00 0.00 175.76 175.65 1qtt s PRO 11 N 0.79 0.33 -0.81 0.00 0.04 -1.26 -4.93 135.00 129.16 1qtt s PRO 11 Ca -0.03 -0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.74 1qtt s PRO 11 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qtt s PRO 11 CO -0.06 -2.69 1.63 -1.25 0.04 0.00 0.00 177.00 174.67 1qtt s PRO 12 N -5.49 2.99 0.58 0.56 0.04 -1.26 -4.81 135.00 127.61 1qtt s PRO 12 Ca 0.69 -0.24 0.37 0.00 0.04 0.00 0.00 61.00 61.86 1qtt s PRO 12 Cb -0.10 -4.72 1.40 0.00 0.04 0.00 0.00 34.50 31.13 1qtt s PRO 12 CO 0.54 -2.60 1.57 0.22 0.04 0.00 0.00 177.00 176.77 1qtt h ASP 13 N 11.56 0.00 -4.86 6.66 3.58 -1.96 -3.40 116.42 128.00 1qtt h ASP 13 Ca -0.07 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1qtt h ASP 13 Cb 1.06 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.91 1qtt h ASP 13 CO 1.28 0.00 -0.04 -1.38 -2.88 0.00 0.00 179.24 176.23 1qtt s HIS 14 N -4.71 -0.45 0.07 0.28 -3.43 -1.26 -0.13 115.29 105.65 1qtt s HIS 14 Ca -0.04 0.81 0.07 0.00 -0.80 0.00 0.00 55.06 55.10 1qtt s HIS 14 Cb 0.20 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1qtt s HIS 14 CO 0.69 -0.48 -0.18 -0.51 -2.00 0.00 0.00 174.74 172.26 1qtt s LEU 15 N -1.07 2.23 -0.19 5.38 1.43 -1.12 -3.45 118.68 121.89 1qtt s LEU 15 Ca -0.11 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1qtt s LEU 15 Cb -0.03 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.45 1qtt s LEU 15 CO 0.06 0.07 -0.01 0.26 0.23 0.00 0.00 176.35 176.96 1qtt s TRP 16 N -0.99 1.52 -0.04 0.29 0.51 0.60 -1.93 118.94 118.90 1qtt s TRP 16 Ca 0.05 -1.12 -0.30 0.00 -2.12 0.00 0.00 56.10 52.61 1qtt s TRP 16 Cb -0.09 -1.23 -0.05 0.00 -0.81 0.00 0.00 33.47 31.29 1qtt s TRP 16 CO 0.03 -0.64 1.44 0.54 -0.51 0.00 0.00 176.95 177.80 1qtt s VAL 17 N 1.69 3.78 -0.06 4.03 0.11 -0.91 0.20 120.40 129.24 1qtt s VAL 17 Ca -0.02 1.08 0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1qtt s VAL 17 Cb -0.17 -3.69 -0.06 0.00 -1.53 0.00 0.00 36.38 30.93 1qtt s VAL 17 CO -0.07 -0.04 -0.01 1.57 -3.33 0.00 0.00 175.10 173.22 1qtt n HIS 18 N 6.02 0.00 -4.31 1.54 -0.00 -1.20 -4.93 115.22 112.34 1qtt n HIS 18 Ca 0.14 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.16 1qtt n HIS 18 Cb 0.44 -0.26 -0.10 0.00 -0.12 0.00 0.00 29.99 29.94 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 1.34 -0.25 1.57 -0.21 -1.26 -3.95 119.66 114.77 1qtt s GLN 19 Ca -0.05 -1.70 -0.28 0.00 0.02 0.00 0.00 55.36 53.36 1qtt s GLN 19 Cb 0.02 -0.40 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 1qtt s GLN 19 CO 0.19 -0.20 2.25 -0.85 -2.12 0.00 0.00 175.29 174.57 1qtt n GLU 20 N -0.41 1.84 -1.27 2.91 0.28 -1.26 -0.16 120.64 122.56 1qtt n GLU 20 Ca -0.03 0.46 -0.02 0.00 -0.16 0.00 0.00 57.16 57.41 1qtt n GLU 20 Cb 0.65 -3.26 -0.01 0.00 1.43 0.00 0.00 31.44 30.25 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qtt n GLY 21 N 5.82 0.49 3.35 -1.84 0.00 -1.26 -4.87 105.19 106.88 1qtt n GLY 21 Ca 0.31 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.09 1.92 0.02 -0.61 1.09 0.77 0.21 121.20 122.51 1qtt s ILE 22 Ca 0.00 -1.97 -0.19 0.00 -1.10 0.00 0.00 60.65 57.39 1qtt s ILE 22 Cb 0.00 -1.91 0.04 0.00 -1.06 0.00 0.00 42.46 39.53 1qtt s ILE 22 CO 0.00 -0.30 0.43 -0.31 -0.10 0.00 0.00 174.94 174.65 1qtt s TYR 23 N -2.05 -0.30 -0.13 3.97 2.02 0.28 -3.21 117.35 117.93 1qtt s TYR 23 Ca 0.17 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.22 1qtt s TYR 23 Cb -0.06 0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.70 1qtt s TYR 23 CO 0.07 -0.53 -0.07 0.50 -1.57 0.00 0.00 175.55 173.95 1qtt s ARG 24 N -2.02 3.38 0.97 -0.62 3.52 0.52 0.25 118.95 124.95 1qtt s ARG 24 Ca -0.08 -0.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.80 1qtt s ARG 24 Cb -0.02 -2.77 0.21 0.00 -1.56 0.00 0.00 34.95 30.81 1qtt s ARG 24 CO 0.01 0.34 1.33 0.34 -0.81 0.00 0.00 175.30 176.52 1qtt s ASP 25 N 0.06 3.01 -0.15 -2.12 -1.08 0.55 -0.30 116.67 116.65 1qtt s ASP 25 Ca -0.02 0.22 0.10 0.00 -0.52 0.00 0.00 52.55 52.34 1qtt s ASP 25 Cb -0.14 -0.23 0.56 0.00 -1.46 0.00 0.00 42.92 41.65 1qtt s ASP 25 CO 0.03 -2.79 1.37 1.21 0.52 0.00 0.00 175.17 175.50 1qtt n GLU 26 N -3.80 3.54 -1.30 4.34 2.13 -1.22 -3.84 120.64 120.49 1qtt n GLU 26 Ca 0.16 -2.14 0.01 0.00 0.66 0.00 0.00 57.16 55.85 1qtt n GLU 26 Cb 0.59 -1.96 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 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 0.50 0.00 -3.04 4.31 4.01 -1.26 -4.99 117.16 116.69 1qtt n TYR 27 Ca 0.19 -0.46 -0.13 0.00 -0.16 0.00 0.00 57.90 57.35 1qtt n TYR 27 Cb 0.86 0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.34 -4.61 -4.05 -0.72 6.02 -1.25 -5.02 117.38 108.10 1qtt n GLN 28 Ca -0.02 0.54 -0.31 0.00 -0.01 0.00 0.00 57.00 57.19 1qtt n GLN 28 Cb 1.01 -4.65 -0.16 0.00 1.02 0.00 0.00 30.24 27.45 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 -5.30 2.37 0.22 -1.09 0.52 -1.26 -4.92 118.95 109.48 1qtt s ARG 29 Ca 0.17 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 1qtt s ARG 29 Cb -0.07 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.82 1qtt s ARG 29 CO 0.47 -0.36 0.95 0.95 0.02 0.00 0.00 175.30 177.32 1qtt s THR 30 N 1.33 4.14 0.15 0.02 -4.23 -1.26 0.20 115.64 115.99 1qtt s THR 30 Ca 0.00 2.08 0.09 0.00 -1.18 0.00 0.00 61.69 62.69 1qtt s THR 30 Cb -0.15 -4.33 -0.04 0.00 1.34 0.00 0.00 72.50 69.32 1qtt s THR 30 CO -0.09 0.47 -0.21 0.26 -0.54 0.00 0.00 174.62 174.50 1qtt s TRP 31 N -0.97 1.96 -0.40 3.99 0.52 0.68 -2.27 118.94 122.45 1qtt s TRP 31 Ca 0.42 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1qtt s TRP 31 Cb -0.26 -1.01 0.11 0.00 -1.15 0.00 0.00 33.47 31.17 1qtt s TRP 31 CO 0.32 0.33 0.13 0.08 0.02 0.00 0.00 176.95 177.82 1qtt s VAL 32 N -1.61 2.21 -0.61 4.03 1.01 0.70 0.99 120.40 127.12 1qtt s VAL 32 Ca 0.14 -2.58 -0.26 0.00 0.00 0.00 0.00 61.98 59.28 1qtt s VAL 32 Cb -0.08 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1qtt s VAL 32 CO 0.06 -0.68 1.10 0.00 0.00 0.00 0.00 175.10 175.58 1qtt s ALA 33 N 0.56 3.01 -1.22 5.51 0.00 0.56 -0.44 121.76 129.74 1qtt s ALA 33 Ca 0.13 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1qtt s ALA 33 Cb -0.21 -3.96 0.19 0.00 0.00 0.00 0.00 23.12 19.13 1qtt s ALA 33 CO -0.06 -2.72 1.59 0.28 0.00 0.00 0.00 175.76 174.85 1qtt n VAL 34 N 6.36 4.39 -1.36 0.00 0.31 0.24 -4.11 118.33 124.15 1qtt n VAL 34 Ca 0.04 -4.73 -0.60 0.00 -0.01 0.00 0.00 64.34 59.04 1qtt n VAL 34 Cb 0.48 -2.41 -0.11 0.00 -0.91 0.00 0.00 33.84 30.90 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 3.74 0.04 -3.96 2.52 3.14 -1.26 -3.55 118.33 119.00 1qtt n VAL 35 Ca 0.36 -0.04 -0.30 0.00 -2.96 0.00 0.00 64.34 61.40 1qtt n VAL 35 Cb 0.39 -0.68 -0.14 0.00 -1.06 0.00 0.00 33.84 32.35 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 5.53 1.85 -0.33 1.45 2.02 0.43 -4.97 118.70 124.68 1qtt s GLU 36 Ca 1.16 -2.45 -0.36 0.00 0.02 0.00 0.00 54.97 53.33 1qtt s GLU 36 Cb -1.40 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 29.44 1qtt s GLU 36 CO 0.66 -1.08 2.10 -0.85 0.02 0.00 0.00 175.26 176.12 1qtt n GLU 37 N 3.36 1.08 -1.26 1.61 0.28 -1.26 -3.05 120.64 121.39 1qtt n GLU 37 Ca 0.05 0.32 -0.30 0.00 -0.16 0.00 0.00 57.16 57.07 1qtt n GLU 37 Cb 0.34 -2.35 0.12 0.00 1.43 0.00 0.00 31.44 30.98 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 5.70 1.52 0.40 3.44 0.41 0.79 -4.89 118.70 126.06 1qtt s GLU 38 Ca 1.08 0.84 0.18 0.00 -0.41 0.00 0.00 54.97 56.67 1qtt s GLU 38 Cb -0.92 -1.84 1.10 0.00 -1.78 0.00 0.00 34.13 30.69 1qtt s GLU 38 CO 0.53 -2.07 1.78 1.15 -0.49 0.00 0.00 175.26 176.16 1qtt h THR 39 N -1.42 0.54 -0.13 3.63 2.02 -2.03 -3.11 112.91 112.40 1qtt h THR 39 Ca -0.48 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 66.37 1qtt h THR 39 Cb 1.27 0.11 -0.24 0.00 -1.74 0.00 0.00 68.15 67.56 1qtt h THR 39 CO 0.55 0.07 -0.56 -0.24 0.37 0.00 0.00 175.52 175.71 1qtt n SER 40 N -4.61 -0.40 -2.42 4.18 2.88 -1.26 -5.13 113.62 106.86 1qtt n SER 40 Ca 0.25 -2.13 -0.06 0.00 -1.33 0.00 0.00 58.87 55.59 1qtt n SER 40 Cb 0.86 0.26 0.02 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.86 -3.99 0.66 3.72 -1.18 -5.03 117.46 108.70 1qtt n PHE 41 Ca -0.10 -1.32 -0.31 0.00 -0.05 0.00 0.00 57.45 55.67 1qtt n PHE 41 Cb 0.85 0.66 -0.15 0.00 -0.94 0.00 0.00 39.48 39.90 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 3.22 -0.17 4.37 2.01 -1.22 -0.15 118.68 126.75 1qtt s LEU 42 Ca 0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 54.13 52.82 1qtt s LEU 42 Cb -0.03 -1.37 -0.01 0.00 0.01 0.00 0.00 46.19 44.78 1qtt s LEU 42 CO 0.08 -0.25 -0.10 -0.60 1.01 0.00 0.00 176.35 176.49 1qtt s ARG 43 N 1.22 3.39 -0.49 1.70 3.52 -1.17 0.44 118.95 127.55 1qtt s ARG 43 Ca -0.04 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 1qtt s ARG 43 Cb -0.19 -2.79 0.13 0.00 -1.56 0.00 0.00 34.95 30.54 1qtt s ARG 43 CO -0.07 0.05 0.25 0.00 -0.81 0.00 0.00 175.30 174.72 1qtt s ALA 44 N 0.80 3.26 -0.44 6.12 0.00 0.25 0.16 121.76 131.92 1qtt s ALA 44 Ca -0.03 -3.05 -0.28 0.00 0.00 0.00 0.00 51.96 48.60 1qtt s ALA 44 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1qtt s ALA 44 CO 0.01 -1.95 1.83 0.50 0.00 0.00 0.00 175.76 176.16 1qtt s ARG 45 N 0.13 3.05 -0.46 0.00 3.52 -1.23 -2.12 118.95 121.84 1qtt s ARG 45 Ca 0.15 1.13 -0.19 0.00 -0.13 0.00 0.00 55.73 56.68 1qtt s ARG 45 Cb -0.23 -4.27 0.04 0.00 -1.56 0.00 0.00 34.95 28.92 1qtt s ARG 45 CO -0.03 -2.21 0.59 0.08 -0.81 0.00 0.00 175.30 172.92 1qtt s VAL 46 N 7.82 4.91 -0.17 7.11 1.01 0.66 0.81 120.40 142.54 1qtt s VAL 46 Ca 0.75 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1qtt s VAL 46 Cb -0.18 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1qtt s VAL 46 CO 0.29 -0.63 0.02 -1.58 0.00 0.00 0.00 175.10 173.19 1qtt s GLN 47 N 2.59 3.82 -0.23 2.72 0.74 0.41 0.28 119.66 129.99 1qtt s GLN 47 Ca 0.17 -0.43 -0.22 0.00 0.05 0.00 0.00 55.36 54.93 1qtt s GLN 47 Cb -0.17 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 1qtt s GLN 47 CO 0.15 0.24 0.70 -1.14 -0.55 0.00 0.00 175.29 174.69 1qtt s GLN 48 N 0.42 4.16 0.13 1.67 -0.44 0.59 0.25 119.66 126.44 1qtt s GLN 48 Ca -0.00 0.70 -0.10 0.00 -2.50 0.00 0.00 55.36 53.46 1qtt s GLN 48 Cb -0.13 -3.63 0.00 0.00 -1.64 0.00 0.00 33.01 27.61 1qtt s GLN 48 CO 0.02 -0.40 0.27 0.96 0.50 0.00 0.00 175.29 176.63 1qtt s ILE 49 N 2.46 0.10 -0.50 -2.34 -0.00 -0.96 -3.61 121.20 116.34 1qtt s ILE 49 Ca 0.30 -1.18 -0.22 0.00 -0.00 0.00 0.00 60.65 59.55 1qtt s ILE 49 Cb -0.16 -1.55 0.04 0.00 -0.00 0.00 0.00 42.46 40.80 1qtt s ILE 49 CO 0.09 -0.44 0.78 -1.10 -0.00 0.00 0.00 174.94 174.27 1qtt s GLN 50 N -3.90 3.29 -0.15 0.37 -1.52 -1.26 -4.23 119.66 112.25 1qtt s GLN 50 Ca 0.10 -0.39 -0.14 0.00 -1.95 0.00 0.00 55.36 52.98 1qtt s GLN 50 Cb 0.04 -4.02 0.04 0.00 -0.22 0.00 0.00 33.01 28.85 1qtt s GLN 50 CO -0.06 -1.26 0.41 0.14 -0.25 0.00 0.00 175.29 174.27 1qtt s VAL 51 N 3.29 0.00 0.23 1.09 -7.23 -1.26 -5.14 120.40 111.38 1qtt s VAL 51 Ca 0.25 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 1qtt s VAL 51 Cb -0.14 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 1qtt s VAL 51 CO 0.18 -0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 173.90 1qtt s PRO 52 N 0.19 4.63 -0.42 4.82 0.04 -1.26 -4.89 135.00 138.10 1qtt s PRO 52 Ca -0.00 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.52 1qtt s PRO 52 Cb -0.03 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1qtt s PRO 52 CO 0.01 0.16 1.01 -0.51 0.04 0.00 0.00 177.00 177.71 1qtt s LEU 53 N -0.94 3.87 0.00 -3.56 1.43 -1.26 -4.98 118.68 113.24 1qtt s LEU 53 Ca 0.47 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1qtt s LEU 53 Cb -0.31 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1qtt s LEU 53 CO 0.38 -1.04 0.00 0.61 0.23 0.00 0.00 176.35 176.53 1qtt n GLY 54 N 4.61 -0.49 3.96 -3.19 0.00 -1.26 -4.96 105.19 103.86 1qtt n GLY 54 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1qtt n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qtt s ASP 55 N -1.59 5.95 -0.36 1.61 -1.08 -1.26 -5.05 116.67 114.89 1qtt s ASP 55 Ca 0.00 0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.33 1qtt s ASP 55 Cb 0.00 -1.52 0.42 0.00 -1.46 0.00 0.00 42.92 40.36 1qtt s ASP 55 CO 0.00 -0.55 0.90 0.00 0.52 0.00 0.00 175.17 176.05 1qtt n ALA 56 N -1.89 3.24 -1.54 3.66 0.00 -1.25 -4.39 120.51 118.34 1qtt n ALA 56 Ca -0.00 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1qtt n ALA 56 Cb 0.58 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.01 0.00 -3.05 0.00 0.00 -1.26 -4.97 120.51 111.21 1qtt n ALA 57 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 1qtt n ALA 57 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 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 1.67 0.02 0.00 1.74 -1.26 -4.95 116.66 113.88 1qtt n ARG 58 Ca 0.00 -3.80 -0.01 0.00 -0.77 0.00 0.00 57.85 53.27 1qtt n ARG 58 Cb 0.00 -1.82 -0.00 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 -0.07 -0.98 5.56 0.13 -1.92 -3.01 132.00 134.69 1qtt h PRO 59 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1qtt h PRO 59 Cb 0.87 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1qtt h PRO 59 CO 0.60 -0.04 0.04 0.45 -0.23 0.00 0.00 178.00 178.81 1qtt n SER 60 N -2.60 2.40 -0.03 1.44 2.88 -1.26 -1.35 113.62 115.10 1qtt n SER 60 Ca -0.01 -2.13 -0.04 0.00 -1.33 0.00 0.00 58.87 55.36 1qtt n SER 60 Cb 0.03 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1qtt n SER 60 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1qtt n HIS 61 N 0.22 0.00 -0.09 0.66 8.25 -1.25 -3.78 115.22 119.24 1qtt n HIS 61 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1qtt n HIS 61 Cb 0.50 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.24 1qtt n HIS 61 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qtt n LEU 62 N -2.49 0.96 -0.03 2.41 4.77 -1.14 -3.67 117.00 117.82 1qtt n LEU 62 Ca -0.10 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.77 1qtt n LEU 62 Cb 0.64 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1qtt n LEU 62 CO 0.08 0.55 0.23 -0.07 -1.33 0.00 0.00 177.39 176.85 1qtt h LEU 63 N 0.00 -0.06 0.00 2.23 -0.00 -1.43 -3.41 115.31 112.65 1qtt h LEU 63 Ca -0.45 -0.43 0.00 0.00 -0.00 0.00 0.00 57.88 57.00 1qtt h LEU 63 Cb 1.91 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1qtt h LEU 63 CO -0.01 0.63 0.00 0.41 -0.00 0.00 0.00 178.44 179.47 1qtt n THR 64 N -4.76 0.00 -2.99 0.22 -1.04 -1.25 -4.95 114.28 99.52 1qtt n THR 64 Ca -0.05 0.82 -0.15 0.00 -2.04 0.00 0.00 64.05 62.62 1qtt n THR 64 Cb 0.23 -1.65 0.04 0.00 -1.82 0.00 0.00 70.33 67.13 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 -1.51 -4.74 0.10 8.00 3.41 -1.24 -4.84 113.62 112.80 1qtt n SER 65 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1qtt n SER 65 Cb 0.00 -3.47 0.00 0.00 -0.26 0.00 0.00 64.21 60.48 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 -3.19 0.00 -1.73 4.33 3.00 -1.26 -5.10 117.38 113.43 1qtt n GLN 66 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 1qtt n GLN 66 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.83 1qtt n GLN 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1qtt n LEU 67 N -3.07 4.84 -4.80 1.08 4.32 -1.26 -4.95 117.00 113.16 1qtt n LEU 67 Ca 0.00 1.04 -0.34 0.00 -0.02 0.00 0.00 56.01 56.69 1qtt n LEU 67 Cb 0.00 -1.55 -0.04 0.00 -1.62 0.00 0.00 43.42 40.22 1qtt n LEU 67 CO 0.00 -0.59 0.72 -2.16 -1.22 0.00 0.00 177.39 174.13 1qtt s PRO 68 N -2.56 3.83 0.62 3.23 0.04 -1.26 -4.91 135.00 133.99 1qtt s PRO 68 Ca 0.66 1.37 0.36 0.00 0.04 0.00 0.00 61.00 63.43 1qtt s PRO 68 Cb -0.45 -2.13 2.04 0.00 0.04 0.00 0.00 34.50 34.00 1qtt s PRO 68 CO 0.54 -0.41 2.27 1.25 0.04 0.00 0.00 177.00 180.70 1qtt h LEU 69 N 1.63 0.00 -7.09 -3.56 7.12 -1.94 -3.42 115.31 108.06 1qtt h LEU 69 Ca -0.49 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.46 1qtt h LEU 69 Cb 1.22 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.13 1qtt h LEU 69 CO 0.59 0.00 0.01 -0.32 -0.13 0.00 0.00 178.44 178.59 1qtt s MET 70 N -4.42 0.71 0.21 1.25 1.75 -1.26 -2.13 119.30 115.41 1qtt s MET 70 Ca -0.05 0.91 0.05 0.00 -1.25 0.00 0.00 55.69 55.36 1qtt s MET 70 Cb 0.14 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 38.09 1qtt s MET 70 CO 0.48 -0.10 0.22 -1.58 -0.65 0.00 0.00 175.02 173.40 1qtt s TRP 71 N 0.54 3.24 -0.32 4.11 0.51 -0.81 -3.29 118.94 122.93 1qtt s TRP 71 Ca -0.02 -0.03 -0.02 0.00 -2.12 0.00 0.00 56.10 53.91 1qtt s TRP 71 Cb -0.05 -1.51 0.11 0.00 -0.81 0.00 0.00 33.47 31.22 1qtt s TRP 71 CO -0.02 0.50 0.15 -1.14 -0.51 0.00 0.00 176.95 175.93 1qtt s GLN 72 N -3.56 0.43 -0.22 4.98 2.00 0.24 -2.78 119.66 120.75 1qtt s GLN 72 Ca 0.33 -0.91 -0.42 0.00 -2.00 0.00 0.00 55.36 52.35 1qtt s GLN 72 Cb -0.09 -1.40 -0.19 0.00 0.80 0.00 0.00 33.01 32.12 1qtt s GLN 72 CO 0.26 -1.07 1.38 -0.11 -0.50 0.00 0.00 175.29 175.24 1qtt n LEU 73 N 4.78 0.88 -4.54 3.68 7.94 0.81 0.45 117.00 131.00 1qtt n LEU 73 Ca 0.00 1.16 -0.25 0.00 -1.11 0.00 0.00 56.01 55.81 1qtt n LEU 73 Cb 0.40 -0.95 -0.11 0.00 0.53 0.00 0.00 43.42 43.29 1qtt n LEU 73 CO 0.09 -1.25 -0.33 -0.31 -1.11 0.00 0.00 177.39 174.48 1qtt s TYR 74 N 1.61 2.32 0.80 1.96 1.51 0.36 -4.74 117.35 121.17 1qtt s TYR 74 Ca 0.97 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 56.25 1qtt s TYR 74 Cb -1.31 -1.49 0.07 0.00 -0.11 0.00 0.00 41.96 39.12 1qtt s TYR 74 CO 0.67 0.40 1.10 -1.25 -1.11 0.00 0.00 175.55 175.36 1qtt s PRO 75 N -3.71 2.08 0.00 -1.71 0.04 -1.26 -3.02 135.00 127.43 1qtt s PRO 75 Ca 0.34 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1qtt s PRO 75 Cb 0.07 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1qtt s PRO 75 CO 0.16 -1.62 0.00 -1.91 0.04 0.00 0.00 177.00 173.67 1qtt n GLU 76 N -3.43 0.00 -2.36 4.56 2.13 -1.26 -3.88 120.64 116.39 1qtt n GLU 76 Ca 0.07 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.82 1qtt n GLU 76 Cb 0.56 -2.58 0.03 0.00 0.27 0.00 0.00 31.44 29.73 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qtt n GLU 77 N -2.83 -1.40 -3.65 5.31 2.13 -1.25 -4.98 120.64 113.96 1qtt n GLU 77 Ca 0.00 0.39 -0.10 0.00 0.66 0.00 0.00 57.16 58.11 1qtt n GLU 77 Cb 0.00 -3.58 -0.04 0.00 0.27 0.00 0.00 31.44 28.09 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 -3.82 1.23 -0.11 5.31 0.52 -1.17 -2.46 118.95 118.45 1qtt s ARG 78 Ca 0.17 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1qtt s ARG 78 Cb -0.02 0.51 -0.01 0.00 0.52 0.00 0.00 34.95 35.95 1qtt s ARG 78 CO 0.34 -0.51 -0.19 0.71 0.02 0.00 0.00 175.30 175.66 1qtt s TYR 79 N -3.83 2.66 -0.23 -0.53 1.51 0.54 0.14 117.35 117.60 1qtt s TYR 79 Ca 0.06 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.17 1qtt s TYR 79 Cb 0.00 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1qtt s TYR 79 CO -0.08 -0.32 0.09 1.41 -1.11 0.00 0.00 175.55 175.54 1qtt s MET 80 N 0.32 3.84 0.37 -0.62 1.75 0.17 0.11 119.30 125.24 1qtt s MET 80 Ca -0.15 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 53.84 1qtt s MET 80 Cb -0.17 -3.35 0.08 0.00 2.84 0.00 0.00 34.83 34.23 1qtt s MET 80 CO 0.07 -0.00 0.48 -0.40 -0.65 0.00 0.00 175.02 174.52 1qtt n ASP 81 N 4.40 -0.09 -0.31 1.11 5.68 -0.71 0.83 116.55 127.47 1qtt n ASP 81 Ca -0.16 -1.14 0.04 0.00 -0.50 0.00 0.00 54.79 53.03 1qtt n ASP 81 Cb 0.52 -0.37 0.04 0.00 -1.14 0.00 0.00 41.12 40.16 1qtt n ASP 81 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qtt n ASN 82 N -3.35 1.70 -0.08 -1.12 6.94 -1.21 -4.59 115.26 113.56 1qtt n ASN 82 Ca 0.06 -1.37 -0.16 0.00 -0.02 0.00 0.00 54.58 53.10 1qtt n ASN 82 Cb 0.21 -0.01 -0.12 0.00 -2.36 0.00 0.00 39.78 37.50 1qtt n ASN 82 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1qtt h ASN 83 N 1.46 0.00 0.00 0.53 -0.73 -1.95 -3.48 115.58 111.41 1qtt h ASN 83 Ca 0.00 -0.80 0.00 0.00 1.87 0.00 0.00 56.30 57.37 1qtt h ASN 83 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1qtt h ASN 83 CO 0.00 1.13 0.00 -1.20 -0.37 0.00 0.00 177.43 176.99 1qtt n SER 84 N -4.56 0.00 -3.93 1.15 7.64 -1.26 -5.17 113.62 107.49 1qtt n SER 84 Ca -0.16 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.63 1qtt n SER 84 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.64 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qtt s ARG 85 N 0.00 0.69 -0.18 1.43 0.52 -1.26 -5.07 118.95 115.08 1qtt s ARG 85 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1qtt s ARG 85 Cb 0.00 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.77 1qtt s ARG 85 CO 0.00 -0.19 -0.14 -1.17 0.02 0.00 0.00 175.30 173.83 1qtt s LEU 86 N -2.52 2.06 -0.00 2.53 1.98 -1.26 -1.73 118.68 119.74 1qtt s LEU 86 Ca 0.01 -0.70 -0.08 0.00 -2.89 0.00 0.00 54.13 50.47 1qtt s LEU 86 Cb 0.03 -1.27 -0.05 0.00 0.66 0.00 0.00 46.19 45.56 1qtt s LEU 86 CO -0.08 -0.08 0.28 0.26 -1.89 0.00 0.00 176.35 174.83 1qtt s TRP 87 N 1.40 3.60 -0.16 5.38 0.52 0.30 -3.89 118.94 126.09 1qtt s TRP 87 Ca 0.02 0.63 -0.07 0.00 0.02 0.00 0.00 56.10 56.70 1qtt s TRP 87 Cb -0.14 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1qtt s TRP 87 CO -0.10 0.63 0.08 -1.14 0.02 0.00 0.00 176.95 176.44 1qtt s GLN 88 N -1.60 3.75 -0.93 4.98 0.74 0.73 0.20 119.66 127.53 1qtt s GLN 88 Ca 0.26 -0.28 -0.24 0.00 0.05 0.00 0.00 55.36 55.14 1qtt s GLN 88 Cb -0.13 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 1qtt s GLN 88 CO 0.14 0.46 1.95 0.42 -0.55 0.00 0.00 175.29 177.71 1qtt s ILE 89 N -0.14 3.45 0.23 -2.34 -1.09 -1.03 0.53 121.20 120.82 1qtt s ILE 89 Ca 0.08 -0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 58.00 1qtt s ILE 89 Cb -0.12 -4.05 0.24 0.00 -1.58 0.00 0.00 42.46 36.95 1qtt s ILE 89 CO 0.01 -0.94 1.65 1.56 -1.23 0.00 0.00 174.94 175.99 1qtt h GLN 90 N 11.15 0.13 -1.06 2.79 1.08 0.96 -3.43 115.11 126.74 1qtt h GLN 90 Ca 0.11 -0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.48 1qtt h GLN 90 Cb 1.00 -0.03 -0.28 0.00 -0.05 0.00 0.00 27.48 28.11 1qtt h GLN 90 CO 1.21 0.09 0.49 -3.38 -0.95 0.00 0.00 178.83 176.29 1qtt s HIS 91 N -6.11 -0.36 -0.23 2.96 -3.43 -1.20 -4.97 115.29 101.95 1qtt s HIS 91 Ca -0.13 0.68 0.02 0.00 -0.80 0.00 0.00 55.06 54.82 1qtt s HIS 91 Cb 0.21 0.22 0.04 0.00 -1.43 0.00 0.00 32.58 31.62 1qtt s HIS 91 CO 0.75 -0.18 -0.14 -1.58 -2.00 0.00 0.00 174.74 171.59 1qtt s HIS 92 N 1.59 3.07 0.34 0.38 2.46 -1.26 -0.70 115.29 121.17 1qtt s HIS 92 Ca -0.06 -1.99 -0.08 0.00 0.47 0.00 0.00 55.06 53.40 1qtt s HIS 92 Cb -0.03 -1.94 0.02 0.00 -0.13 0.00 0.00 32.58 30.49 1qtt s HIS 92 CO -0.14 -0.84 0.57 -0.48 -2.47 0.00 0.00 174.74 171.38 1qtt s LEU 93 N 1.20 0.62 -0.06 8.88 2.34 -1.12 -4.95 118.68 125.59 1qtt s LEU 93 Ca -0.03 -1.31 0.05 0.00 0.06 0.00 0.00 54.13 52.91 1qtt s LEU 93 Cb -0.17 1.92 -0.01 0.00 -0.56 0.00 0.00 46.19 47.37 1qtt s LEU 93 CO -0.08 -1.39 -0.23 -0.32 -1.06 0.00 0.00 176.35 173.27 1qtt s MET 94 N -2.97 2.45 -0.00 1.48 -2.45 -1.26 -0.09 119.30 116.45 1qtt s MET 94 Ca 0.25 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1qtt s MET 94 Cb -0.02 -2.05 -0.00 0.00 1.25 0.00 0.00 34.83 34.01 1qtt s MET 94 CO 0.16 0.32 -0.04 0.08 1.05 0.00 0.00 175.02 176.59 1qtt s VAL 95 N -0.03 0.29 -1.68 10.11 1.01 0.53 -4.82 120.40 125.81 1qtt s VAL 95 Ca -0.06 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1qtt s VAL 95 Cb -0.14 -0.26 0.15 0.00 0.00 0.00 0.00 36.38 36.13 1qtt s VAL 95 CO 0.04 0.09 0.79 0.54 0.00 0.00 0.00 175.10 176.56 1qtt n ARG 96 N 3.05 -3.40 -1.89 2.72 5.12 -1.26 0.19 116.66 121.19 1qtt n ARG 96 Ca -0.13 0.39 -0.15 0.00 -1.93 0.00 0.00 57.85 56.03 1qtt n ARG 96 Cb 0.58 -5.12 -0.04 0.00 -1.16 0.00 0.00 32.46 26.73 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 -1.45 0.60 3.02 -0.13 0.00 -1.26 -4.99 105.19 100.98 1qtt n GLY 97 Ca 0.06 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.68 1.07 -0.28 1.61 1.01 0.50 -5.00 120.40 116.64 1qtt s VAL 98 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1qtt s VAL 98 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1qtt s VAL 98 CO 0.00 0.34 0.73 -1.10 0.00 0.00 0.00 175.10 175.07 1qtt s GLN 99 N 0.58 4.05 -0.40 2.72 -0.21 -1.24 0.20 119.66 125.36 1qtt s GLN 99 Ca -0.12 0.62 -0.06 0.00 0.02 0.00 0.00 55.36 55.82 1qtt s GLN 99 Cb -0.15 -3.69 0.09 0.00 1.00 0.00 0.00 33.01 30.27 1qtt s GLN 99 CO 0.03 -0.55 0.21 -2.00 -2.12 0.00 0.00 175.29 170.86 1qtt s GLU 100 N 2.75 2.34 -0.27 2.91 2.12 0.87 0.22 118.70 129.62 1qtt s GLU 100 Ca 0.30 -1.60 -0.11 0.00 0.36 0.00 0.00 54.97 53.92 1qtt s GLU 100 Cb -0.15 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 1qtt s GLU 100 CO 0.10 -0.98 0.19 -1.17 -0.54 0.00 0.00 175.26 172.86 1qtt s LEU 101 N 1.29 4.03 -0.26 2.70 0.20 0.82 -2.78 118.68 124.68 1qtt s LEU 101 Ca 0.04 0.01 -0.14 0.00 0.69 0.00 0.00 54.13 54.74 1qtt s LEU 101 Cb -0.23 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1qtt s LEU 101 CO -0.01 -0.04 0.31 -0.76 -0.29 0.00 0.00 176.35 175.56 1qtt s LEU 102 N 1.66 4.07 -0.13 -0.68 1.43 0.12 0.24 118.68 125.39 1qtt s LEU 102 Ca 0.07 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1qtt s LEU 102 Cb -0.16 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1qtt s LEU 102 CO 0.10 -0.10 -0.08 -0.76 0.23 0.00 0.00 176.35 175.74 1qtt s LEU 103 N 1.72 3.00 -0.12 1.79 1.43 -0.90 0.14 118.68 125.74 1qtt s LEU 103 Ca 0.13 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1qtt s LEU 103 Cb -0.15 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1qtt s LEU 103 CO 0.09 0.21 -0.18 -0.75 0.23 0.00 0.00 176.35 175.94 1qtt s LYS 104 N 0.12 2.54 -0.25 1.70 2.47 0.19 0.88 119.74 127.39 1qtt s LYS 104 Ca -0.04 -0.68 -0.10 0.00 -1.56 0.00 0.00 55.97 53.59 1qtt s LYS 104 Cb -0.14 -2.10 -0.05 0.00 -1.46 0.00 0.00 37.83 34.09 1qtt s LYS 104 CO 0.04 -0.03 0.14 -1.17 0.16 0.00 0.00 175.35 174.49 1qtt s LEU 105 N 0.88 3.95 0.26 5.43 2.96 0.17 0.26 118.68 132.59 1qtt s LEU 105 Ca -0.08 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1qtt s LEU 105 Cb -0.15 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1qtt s LEU 105 CO -0.01 0.03 0.42 -0.76 -1.32 0.00 0.00 176.35 174.71 1qtt s LEU 106 N 1.27 4.21 0.85 -0.68 1.02 -1.25 -3.39 118.68 120.72 1qtt s LEU 106 Ca 0.07 0.25 -0.12 0.00 0.02 0.00 0.00 54.13 54.34 1qtt s LEU 106 Cb -0.14 -3.05 0.10 0.00 0.02 0.00 0.00 46.19 43.12 1qtt s LEU 106 CO 0.06 -0.13 1.12 -2.16 0.02 0.00 0.00 176.35 175.26 1qtt s PRO 107 N -3.93 1.62 0.25 1.29 0.04 -1.26 -4.83 135.00 128.18 1qtt s PRO 107 Ca 0.37 0.46 0.10 0.00 0.04 0.00 0.00 61.00 61.97 1qtt s PRO 107 Cb -0.10 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1qtt s PRO 107 CO 0.31 -1.90 -0.09 0.34 0.04 0.00 0.00 177.00 175.70 1qtt s ASP 108 N -3.98 4.18 0.38 6.66 2.15 -1.26 -5.00 116.67 119.80 1qtt s ASP 108 Ca 0.62 -0.74 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1qtt s ASP 108 Cb -0.15 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.83 1qtt s ASP 108 CO 0.54 0.04 0.00 -0.67 -0.17 0.00 0.00 175.17 174.91 1qtt n ASP 109 N -0.55 -9.11 -1.34 -0.34 2.03 -1.26 -4.95 116.55 101.02 1qtt n ASP 109 Ca -0.07 1.29 0.15 0.00 0.52 0.00 0.00 54.79 56.68 1qtt n ASP 109 Cb 0.58 -4.81 -0.08 0.00 -0.72 0.00 0.00 41.12 36.09 1qtt n ASP 109 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qtt n ARG 110 N 0.33 -2.93 0.00 -0.67 1.74 -1.26 -5.06 116.66 108.80 1qtt n ARG 110 Ca 0.00 2.40 0.00 0.00 -0.77 0.00 0.00 57.85 59.48 1qtt n ARG 110 Cb 0.00 -3.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.94 1qtt n ARG 110 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qtt n SER 111 N -4.21 0.00 -4.74 0.55 3.41 -1.26 -5.01 113.62 102.36 1qtt n SER 111 Ca -0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 1qtt n SER 111 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1qtt n SER 111 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qtt s PRO 112 N 0.00 4.59 0.00 4.33 0.04 -1.26 -5.00 135.00 137.69 1qtt s PRO 112 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1qtt s PRO 112 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1qtt s PRO 112 CO 0.00 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1qtt n GLY 113 N 1.94 1.54 3.06 0.56 0.00 -1.26 -5.18 105.19 105.86 1qtt n GLY 113 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1qtt n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 114 N -2.00 0.14 -0.08 -0.61 1.09 -1.26 -5.15 121.20 113.33 1qtt s ILE 114 Ca 0.00 -1.13 -0.03 0.00 -1.10 0.00 0.00 60.65 58.38 1qtt s ILE 114 Cb 0.00 -0.75 0.04 0.00 -1.06 0.00 0.00 42.46 40.70 1qtt s ILE 114 CO 0.00 -0.62 0.15 -1.00 -0.10 0.00 0.00 174.94 173.36 1qtt s HIS 115 N -2.35 -0.15 0.41 3.97 3.76 -1.26 -5.14 115.29 114.52 1qtt s HIS 115 Ca -0.07 0.56 -0.22 0.00 -0.15 0.00 0.00 55.06 55.18 1qtt s HIS 115 Cb -0.03 -0.27 -0.11 0.00 1.11 0.00 0.00 32.58 33.28 1qtt s HIS 115 CO -0.04 -0.25 0.95 0.50 -0.85 0.00 0.00 174.74 175.05 1qtt s ARG 116 N 2.18 4.29 0.00 1.40 3.52 -1.26 -5.39 118.95 123.70 1qtt s ARG 116 Ca 0.02 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 1qtt s ARG 116 Cb -0.12 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1qtt s ARG 116 CO -0.05 0.02 0.00 -3.47 -0.81 0.00 0.00 175.30 170.99