#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 -0.20 0.09 1.61 1.04 -1.26 -5.16 113.70 109.83 1qtt s SER 2 Ca 0.00 0.58 -0.24 0.00 0.48 0.00 0.00 55.95 56.77 1qtt s SER 2 Cb 0.00 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1qtt s SER 2 CO 0.00 -0.18 0.59 -0.32 0.98 0.00 0.00 173.24 174.30 1qtt s MET 3 N 1.48 1.17 0.06 4.02 -2.45 -1.26 -5.18 119.30 117.14 1qtt s MET 3 Ca -0.08 -0.30 -0.25 0.00 -1.25 0.00 0.00 55.69 53.82 1qtt s MET 3 Cb -0.10 0.54 0.06 0.00 1.25 0.00 0.00 34.83 36.58 1qtt s MET 3 CO -0.09 -0.47 0.59 0.00 1.05 0.00 0.00 175.02 176.10 1qtt s ALA 4 N -3.00 -1.53 1.00 4.11 0.00 -1.26 -5.17 121.76 115.91 1qtt s ALA 4 Ca -0.02 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1qtt s ALA 4 Cb -0.01 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1qtt s ALA 4 CO -0.06 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1qtt n GLY 5 N 0.29 -3.37 3.64 0.00 0.00 -1.26 -5.09 105.19 99.41 1qtt n GLY 5 Ca -0.18 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.63 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N 0.00 0.21 0.03 1.61 2.56 -1.26 -5.18 118.70 116.67 1qtt s GLU 6 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 54.97 55.07 1qtt s GLU 6 Cb 0.00 0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.25 1qtt s GLU 6 CO 0.00 -0.03 0.27 -0.51 -0.56 0.00 0.00 175.26 174.42 1qtt s ASP 7 N -0.05 -0.08 1.22 -1.70 1.11 -1.26 -4.99 116.67 110.91 1qtt s ASP 7 Ca 0.06 -0.20 -0.18 0.00 0.18 0.00 0.00 52.55 52.41 1qtt s ASP 7 Cb -0.04 0.32 0.25 0.00 1.07 0.00 0.00 42.92 44.52 1qtt s ASP 7 CO -0.12 -0.56 0.56 0.52 1.18 0.00 0.00 175.17 176.76 1qtt n VAL 8 N 0.75 0.00 -0.03 -1.27 0.31 -1.26 -5.01 118.33 111.83 1qtt n VAL 8 Ca -0.19 -0.21 -0.07 0.00 -0.01 0.00 0.00 64.34 63.86 1qtt n VAL 8 Cb 0.59 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 32.71 1qtt n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtt n GLY 9 N 1.85 -0.25 3.63 2.92 0.00 -1.26 -5.09 105.19 106.99 1qtt n GLY 9 Ca 0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.37 -1.79 0.99 4.61 0.00 -1.26 -5.18 121.76 116.77 1qtt s ALA 10 Ca -0.15 2.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.75 1qtt s ALA 10 Cb 0.03 -1.21 0.19 0.00 0.00 0.00 0.00 23.12 22.13 1qtt s ALA 10 CO 0.20 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 175.54 1qtt s PRO 11 N 0.58 0.46 -0.85 0.00 0.04 -1.26 -4.93 135.00 129.05 1qtt s PRO 11 Ca -0.02 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.81 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 -0.02 -2.61 1.64 -1.25 0.04 0.00 0.00 177.00 174.80 1qtt s PRO 12 N -5.46 3.01 0.58 0.56 0.04 -1.26 -4.80 135.00 127.67 1qtt s PRO 12 Ca 0.68 -0.36 0.37 0.00 0.04 0.00 0.00 61.00 61.73 1qtt s PRO 12 Cb -0.11 -4.85 1.39 0.00 0.04 0.00 0.00 34.50 30.98 1qtt s PRO 12 CO 0.54 -2.65 1.57 0.22 0.04 0.00 0.00 177.00 176.72 1qtt h ASP 13 N 11.29 0.00 -4.99 6.66 1.82 -1.95 -3.40 116.42 125.85 1qtt h ASP 13 Ca -0.02 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 1qtt h ASP 13 Cb 1.05 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.86 1qtt h ASP 13 CO 1.29 0.00 -0.15 -1.38 -1.61 0.00 0.00 179.24 177.39 1qtt s HIS 14 N -4.70 -0.31 0.04 0.28 -3.43 -1.26 0.85 115.29 106.76 1qtt s HIS 14 Ca -0.04 0.49 0.04 0.00 -0.80 0.00 0.00 55.06 54.75 1qtt s HIS 14 Cb 0.20 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 1qtt s HIS 14 CO 0.69 -0.45 -0.13 -0.51 -2.00 0.00 0.00 174.74 172.34 1qtt s LEU 15 N -1.31 2.18 -0.20 5.38 1.43 -1.07 -3.80 118.68 121.29 1qtt s LEU 15 Ca -0.13 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1qtt s LEU 15 Cb -0.04 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.71 1qtt s LEU 15 CO 0.06 0.00 -0.01 0.26 0.23 0.00 0.00 176.35 176.89 1qtt s TRP 16 N -0.89 1.59 -0.14 0.29 0.51 0.11 -1.78 118.94 118.62 1qtt s TRP 16 Ca 0.00 -1.19 -0.29 0.00 -2.12 0.00 0.00 56.10 52.50 1qtt s TRP 16 Cb -0.08 -1.25 -0.03 0.00 -0.81 0.00 0.00 33.47 31.30 1qtt s TRP 16 CO 0.01 -0.66 1.54 0.54 -0.51 0.00 0.00 176.95 177.87 1qtt s VAL 17 N 1.67 3.80 -0.07 4.03 0.11 -0.99 0.11 120.40 129.06 1qtt s VAL 17 Ca -0.02 0.94 0.04 0.00 -2.93 0.00 0.00 61.98 60.01 1qtt s VAL 17 Cb -0.17 -3.68 -0.07 0.00 -1.53 0.00 0.00 36.38 30.92 1qtt s VAL 17 CO -0.07 -0.17 -0.01 1.57 -3.33 0.00 0.00 175.10 173.09 1qtt n HIS 18 N 7.49 0.00 -4.31 1.54 -0.00 -1.09 -4.95 115.22 113.90 1qtt n HIS 18 Ca 0.17 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.18 1qtt n HIS 18 Cb 0.44 -0.31 -0.10 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 -2.15 1.24 -0.24 1.57 -0.21 -1.24 -4.11 119.66 114.52 1qtt s GLN 19 Ca -0.05 -1.58 -0.32 0.00 0.02 0.00 0.00 55.36 53.43 1qtt s GLN 19 Cb 0.02 -0.77 -0.09 0.00 1.00 0.00 0.00 33.01 33.17 1qtt s GLN 19 CO 0.23 0.05 2.14 -1.91 -2.12 0.00 0.00 175.29 173.68 1qtt n GLU 20 N -0.33 1.66 -1.49 2.91 2.13 -1.26 0.59 120.64 124.85 1qtt n GLU 20 Ca -0.08 0.50 -0.10 0.00 0.66 0.00 0.00 57.16 58.14 1qtt n GLU 20 Cb 0.62 -2.80 -0.03 0.00 0.27 0.00 0.00 31.44 29.50 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 5.78 0.87 3.24 8.31 0.00 -1.26 -4.94 105.19 117.19 1qtt n GLY 21 Ca 0.33 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.39 1.64 0.03 -0.61 1.09 0.20 0.20 121.20 121.35 1qtt s ILE 22 Ca 0.00 -1.18 -0.00 0.00 -1.10 0.00 0.00 60.65 58.37 1qtt s ILE 22 Cb 0.00 -1.43 -0.03 0.00 -1.06 0.00 0.00 42.46 39.95 1qtt s ILE 22 CO 0.00 0.20 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.70 1qtt s TYR 23 N -0.79 0.34 -0.13 3.97 2.02 0.77 -2.65 117.35 120.86 1qtt s TYR 23 Ca 0.07 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 1qtt s TYR 23 Cb -0.09 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.20 1qtt s TYR 23 CO 0.02 -0.24 -0.03 0.50 -1.57 0.00 0.00 175.55 174.23 1qtt s ARG 24 N -2.11 3.44 0.75 -0.62 3.52 0.29 0.22 118.95 124.44 1qtt s ARG 24 Ca -0.10 -0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 1qtt s ARG 24 Cb -0.05 -2.87 0.17 0.00 -1.56 0.00 0.00 34.95 30.64 1qtt s ARG 24 CO -0.03 0.39 1.01 -3.47 -0.81 0.00 0.00 175.30 172.39 1qtt n ASP 25 N 3.09 0.24 -1.65 -2.12 -0.08 0.24 -0.72 116.55 115.56 1qtt n ASP 25 Ca -0.18 -1.47 0.06 0.00 -1.51 0.00 0.00 54.79 51.70 1qtt n ASP 25 Cb 0.53 -0.76 0.34 0.00 2.34 0.00 0.00 41.12 43.57 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1qtt n GLU 26 N -3.11 4.22 -1.27 -0.67 0.28 -1.25 -3.96 120.64 114.87 1qtt n GLU 26 Ca 0.13 -2.64 0.02 0.00 -0.16 0.00 0.00 57.16 54.51 1qtt n GLU 26 Cb 0.46 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.21 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 0.56 0.00 -3.12 -1.84 4.01 -1.26 -4.99 117.16 110.52 1qtt n TYR 27 Ca 0.23 -0.42 -0.14 0.00 -0.16 0.00 0.00 57.90 57.41 1qtt n TYR 27 Cb 1.03 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 40.10 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 -5.15 -3.97 -0.72 6.02 -1.25 -5.02 117.38 107.64 1qtt n GLN 28 Ca -0.00 0.62 -0.30 0.00 -0.01 0.00 0.00 57.00 57.31 1qtt n GLN 28 Cb 1.00 -4.97 -0.16 0.00 1.02 0.00 0.00 30.24 27.13 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 -5.28 1.91 0.41 -1.09 0.52 -1.26 -4.94 118.95 109.22 1qtt s ARG 29 Ca 0.12 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.39 1qtt s ARG 29 Cb -0.05 -2.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 1qtt s ARG 29 CO 0.53 -0.40 1.03 0.95 0.02 0.00 0.00 175.30 177.43 1qtt s THR 30 N 1.47 3.85 0.15 0.02 -4.23 -1.26 0.82 115.64 116.47 1qtt s THR 30 Ca 0.00 1.35 0.06 0.00 -1.18 0.00 0.00 61.69 61.92 1qtt s THR 30 Cb -0.15 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1qtt s THR 30 CO -0.08 -0.06 -0.14 0.26 -0.54 0.00 0.00 174.62 174.06 1qtt s TRP 31 N -1.77 1.49 -0.38 3.99 0.52 0.61 -2.92 118.94 120.46 1qtt s TRP 31 Ca 0.59 -0.59 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1qtt s TRP 31 Cb -0.19 -0.75 0.11 0.00 -1.15 0.00 0.00 33.47 31.49 1qtt s TRP 31 CO 0.24 0.20 0.12 0.08 0.02 0.00 0.00 176.95 177.62 1qtt s VAL 32 N -2.57 1.97 -0.72 4.03 1.01 0.51 -0.16 120.40 124.46 1qtt s VAL 32 Ca 0.14 -2.39 -0.25 0.00 0.00 0.00 0.00 61.98 59.48 1qtt s VAL 32 Cb -0.02 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1qtt s VAL 32 CO 0.04 -0.69 1.17 0.00 0.00 0.00 0.00 175.10 175.62 1qtt s ALA 33 N 0.73 2.88 -1.21 5.51 0.00 0.52 0.12 121.76 130.31 1qtt s ALA 33 Ca 0.13 -1.57 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 1qtt s ALA 33 Cb -0.21 -4.12 0.13 0.00 0.00 0.00 0.00 23.12 18.92 1qtt s ALA 33 CO -0.09 -3.12 1.51 0.08 0.00 0.00 0.00 175.76 174.14 1qtt s VAL 34 N 5.11 4.68 -0.76 0.00 1.01 0.45 -4.34 120.40 126.55 1qtt s VAL 34 Ca 0.31 -2.26 -0.31 0.00 0.00 0.00 0.00 61.98 59.72 1qtt s VAL 34 Cb -0.11 -5.00 -0.16 0.00 0.00 0.00 0.00 36.38 31.11 1qtt s VAL 34 CO 0.13 -1.75 2.54 0.55 0.00 0.00 0.00 175.10 176.57 1qtt n VAL 35 N 5.32 -0.01 -3.59 2.92 3.14 -1.26 -2.95 118.33 121.90 1qtt n VAL 35 Ca 0.39 -0.27 -0.40 0.00 -2.96 0.00 0.00 64.34 61.11 1qtt n VAL 35 Cb 0.45 -1.30 -0.08 0.00 -1.06 0.00 0.00 33.84 31.84 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 8.39 2.64 -0.44 1.45 2.56 0.55 -4.98 118.70 128.88 1qtt s GLU 36 Ca 1.21 -2.13 -0.28 0.00 0.00 0.00 0.00 54.97 53.78 1qtt s GLU 36 Cb -0.91 -3.92 -0.08 0.00 2.00 0.00 0.00 34.13 31.23 1qtt s GLU 36 CO 0.43 -1.19 2.36 0.39 -0.56 0.00 0.00 175.26 176.69 1qtt n GLU 37 N 4.27 1.22 -0.76 4.30 1.02 -1.26 -2.50 120.64 126.93 1qtt n GLU 37 Ca 0.01 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 1qtt n GLU 37 Cb 0.41 -3.15 0.17 0.00 -0.02 0.00 0.00 31.44 28.85 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1qtt s GLU 38 N 7.60 0.81 0.51 3.49 0.41 0.16 -4.83 118.70 126.85 1qtt s GLU 38 Ca 1.03 1.34 0.33 0.00 -0.41 0.00 0.00 54.97 57.25 1qtt s GLU 38 Cb -0.37 -1.72 1.45 0.00 -1.78 0.00 0.00 34.13 31.72 1qtt s GLU 38 CO 0.33 -2.70 1.79 1.15 -0.49 0.00 0.00 175.26 175.34 1qtt h THR 39 N -1.91 0.42 -0.05 3.63 2.02 -2.04 -3.01 112.91 111.98 1qtt h THR 39 Ca -0.47 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.50 1qtt h THR 39 Cb 1.28 0.33 -0.18 0.00 -1.74 0.00 0.00 68.15 67.84 1qtt h THR 39 CO 0.45 0.02 -0.37 -0.24 0.37 0.00 0.00 175.52 175.75 1qtt n SER 40 N -4.29 -1.12 -2.41 4.18 2.88 -1.26 -5.13 113.62 106.46 1qtt n SER 40 Ca 0.26 -2.19 -0.07 0.00 -1.33 0.00 0.00 58.87 55.53 1qtt n SER 40 Cb 1.18 0.55 0.02 0.00 -0.75 0.00 0.00 64.21 65.21 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 -1.42 -2.03 -3.94 0.66 3.72 -1.14 -4.93 117.46 108.39 1qtt n PHE 41 Ca -0.15 -1.49 -0.31 0.00 -0.05 0.00 0.00 57.45 55.45 1qtt n PHE 41 Cb 0.87 0.71 -0.15 0.00 -0.94 0.00 0.00 39.48 39.97 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 3.65 -0.17 4.37 2.01 -1.20 -0.66 118.68 126.68 1qtt s LEU 42 Ca 0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 54.13 52.43 1qtt s LEU 42 Cb -0.04 -1.35 -0.03 0.00 0.01 0.00 0.00 46.19 44.79 1qtt s LEU 42 CO 0.10 -0.35 -0.03 -0.60 1.01 0.00 0.00 176.35 176.48 1qtt s ARG 43 N 1.18 3.65 -0.56 1.70 3.52 -1.04 0.59 118.95 127.99 1qtt s ARG 43 Ca 0.06 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1qtt s ARG 43 Cb -0.19 -2.96 0.14 0.00 -1.56 0.00 0.00 34.95 30.39 1qtt s ARG 43 CO -0.12 0.17 0.33 0.00 -0.81 0.00 0.00 175.30 174.87 1qtt s ALA 44 N 0.55 3.41 -0.40 6.12 0.00 0.25 0.21 121.76 131.91 1qtt s ALA 44 Ca -0.02 -3.29 -0.28 0.00 0.00 0.00 0.00 51.96 48.37 1qtt s ALA 44 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1qtt s ALA 44 CO 0.02 -2.05 1.92 0.50 0.00 0.00 0.00 175.76 176.15 1qtt s ARG 45 N -0.26 3.04 -0.46 0.00 3.52 -1.15 -2.45 118.95 121.17 1qtt s ARG 45 Ca 0.17 1.31 -0.20 0.00 -0.13 0.00 0.00 55.73 56.89 1qtt s ARG 45 Cb -0.24 -4.30 0.04 0.00 -1.56 0.00 0.00 34.95 28.89 1qtt s ARG 45 CO -0.01 -2.22 0.61 0.08 -0.81 0.00 0.00 175.30 172.95 1qtt s VAL 46 N 8.05 4.88 -0.20 7.11 1.01 0.71 0.17 120.40 142.13 1qtt s VAL 46 Ca 0.81 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 1qtt s VAL 46 Cb -0.21 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1qtt s VAL 46 CO 0.30 -0.66 0.04 -1.58 0.00 0.00 0.00 175.10 173.20 1qtt s GLN 47 N 2.66 3.81 -0.24 2.72 0.74 0.12 0.23 119.66 129.70 1qtt s GLN 47 Ca 0.18 -0.43 -0.24 0.00 0.05 0.00 0.00 55.36 54.93 1qtt s GLN 47 Cb -0.16 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1qtt s GLN 47 CO 0.15 0.12 0.79 -1.14 -0.55 0.00 0.00 175.29 174.66 1qtt s GLN 48 N 0.76 4.17 0.15 1.67 -0.44 0.27 0.19 119.66 126.43 1qtt s GLN 48 Ca 0.02 0.86 -0.17 0.00 -2.50 0.00 0.00 55.36 53.58 1qtt s GLN 48 Cb -0.14 -3.64 0.03 0.00 -1.64 0.00 0.00 33.01 27.63 1qtt s GLN 48 CO 0.02 -0.49 0.44 0.96 0.50 0.00 0.00 175.29 176.72 1qtt s ILE 49 N 2.74 0.05 -0.31 -2.34 -0.00 -1.15 -3.80 121.20 116.39 1qtt s ILE 49 Ca 0.33 -0.61 -0.23 0.00 -0.00 0.00 0.00 60.65 60.13 1qtt s ILE 49 Cb -0.15 -1.28 0.00 0.00 -0.00 0.00 0.00 42.46 41.03 1qtt s ILE 49 CO 0.08 -0.25 0.79 -1.10 -0.00 0.00 0.00 174.94 174.46 1qtt s GLN 50 N -3.82 3.96 -0.20 0.37 1.11 -1.26 -4.34 119.66 115.48 1qtt s GLN 50 Ca 0.05 0.58 -0.18 0.00 0.01 0.00 0.00 55.36 55.82 1qtt s GLN 50 Cb 0.01 -3.73 0.05 0.00 -1.01 0.00 0.00 33.01 28.33 1qtt s GLN 50 CO -0.10 -0.69 0.54 0.54 0.01 0.00 0.00 175.29 175.60 1qtt s VAL 51 N 2.97 -0.00 0.11 1.09 0.11 -1.26 -5.14 120.40 118.27 1qtt s VAL 51 Ca 0.32 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 1qtt s VAL 51 Cb -0.14 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1qtt s VAL 51 CO 0.13 0.00 1.15 -2.16 -3.33 0.00 0.00 175.10 170.88 1qtt s PRO 52 N 0.31 4.50 -0.51 1.54 0.04 -1.26 -4.92 135.00 134.70 1qtt s PRO 52 Ca -0.00 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1qtt s PRO 52 Cb -0.04 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1qtt s PRO 52 CO 0.00 -0.11 1.21 -0.51 0.04 0.00 0.00 177.00 177.63 1qtt s LEU 53 N 0.46 3.55 0.00 -3.56 1.43 -1.26 -4.97 118.68 114.33 1qtt s LEU 53 Ca 0.54 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1qtt s LEU 53 Cb -0.29 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1qtt s LEU 53 CO 0.32 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1qtt n GLY 54 N 4.98 -0.40 0.60 -3.19 0.00 -1.26 -4.98 105.19 100.94 1qtt n GLY 54 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.64 -2.81 1.61 8.00 -1.26 -5.03 116.55 115.42 1qtt n ASP 55 Ca 0.00 -0.45 -0.10 0.00 0.71 0.00 0.00 54.79 54.95 1qtt n ASP 55 Cb 0.00 -0.18 0.07 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.39 0.15 -2.03 2.24 0.00 -1.26 -4.67 120.51 111.53 1qtt n ALA 56 Ca -0.04 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1qtt n ALA 56 Cb 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.21 0.00 -2.96 0.00 0.00 -1.26 -5.05 120.51 111.45 1qtt n ALA 57 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 1qtt n ALA 57 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.15 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 1.42 -0.02 0.00 3.00 -1.26 -4.85 116.66 114.94 1qtt n ARG 58 Ca 0.00 -3.57 -0.15 0.00 -0.01 0.00 0.00 57.85 54.12 1qtt n ARG 58 Cb 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 32.46 30.69 1qtt n ARG 58 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1qtt h PRO 59 N 2.97 0.22 0.00 5.56 0.13 -1.95 0.21 132.00 139.14 1qtt h PRO 59 Ca 0.06 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qtt h PRO 59 Cb 0.98 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1qtt h PRO 59 CO 0.56 0.92 0.00 -1.13 -0.23 0.00 0.00 178.00 178.11 1qtt n SER 60 N -4.48 0.00 -0.08 1.44 3.41 -1.26 0.15 113.62 112.80 1qtt n SER 60 Ca -0.09 -0.64 -0.13 0.00 -0.26 0.00 0.00 58.87 57.74 1qtt n SER 60 Cb 0.51 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1qtt n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qtt n HIS 61 N -1.03 0.00 0.03 7.33 8.25 -1.16 -2.90 115.22 125.74 1qtt n HIS 61 Ca 0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.40 1qtt n HIS 61 Cb 0.09 -0.64 -0.14 0.00 1.12 0.00 0.00 29.99 30.41 1qtt n HIS 61 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qtt h LEU 62 N -0.10 0.48 0.23 2.41 3.38 -0.42 -2.43 115.31 118.86 1qtt h LEU 62 Ca -0.39 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 56.66 1qtt h LEU 62 Cb 1.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1qtt h LEU 62 CO -0.09 1.76 -0.11 0.25 0.09 0.00 0.00 178.44 180.34 1qtt h LEU 63 N -0.04 -0.26 0.19 1.67 6.46 0.12 -3.39 115.31 120.06 1qtt h LEU 63 Ca -0.36 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1qtt h LEU 63 Cb 1.97 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.97 1qtt h LEU 63 CO 0.11 -0.07 -0.09 0.74 -0.62 0.00 0.00 178.44 178.51 1qtt h THR 64 N -0.54 0.00 -2.90 1.05 2.02 -1.65 -3.48 112.91 107.41 1qtt h THR 64 Ca -0.03 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 1qtt h THR 64 Cb 0.24 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1qtt h THR 64 CO 0.05 0.00 -0.28 -1.54 0.37 0.00 0.00 175.52 174.13 1qtt n SER 65 N -3.20 -3.77 0.05 4.18 3.41 -0.91 -4.94 113.62 108.44 1qtt n SER 65 Ca -0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1qtt n SER 65 Cb 0.10 -2.36 0.00 0.00 -0.26 0.00 0.00 64.21 61.69 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 -2.32 0.00 -2.09 4.33 3.00 -1.26 -5.06 117.38 113.98 1qtt n GLN 66 Ca -0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 1qtt n GLN 66 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 30.24 30.47 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1qtt s LEU 67 N -6.47 4.19 0.86 1.08 1.02 -1.26 -5.00 118.68 113.09 1qtt s LEU 67 Ca 0.00 2.60 -0.12 0.00 0.02 0.00 0.00 54.13 56.63 1qtt s LEU 67 Cb 0.00 -3.95 0.11 0.00 0.02 0.00 0.00 46.19 42.37 1qtt s LEU 67 CO 0.00 -0.86 1.12 -2.16 0.02 0.00 0.00 176.35 174.47 1qtt s PRO 68 N -2.29 1.56 0.46 1.29 0.04 -1.26 -4.86 135.00 129.94 1qtt s PRO 68 Ca 0.58 0.45 0.28 0.00 0.04 0.00 0.00 61.00 62.34 1qtt s PRO 68 Cb -0.37 -1.87 0.88 0.00 0.04 0.00 0.00 34.50 33.17 1qtt s PRO 68 CO 0.47 -1.94 1.80 1.25 0.04 0.00 0.00 177.00 178.61 1qtt h LEU 69 N -1.32 0.00 -7.00 -3.56 7.12 -1.94 -3.44 115.31 105.17 1qtt h LEU 69 Ca -0.49 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.49 1qtt h LEU 69 Cb 1.30 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.22 1qtt h LEU 69 CO 0.61 0.00 0.18 -0.32 -0.13 0.00 0.00 178.44 178.78 1qtt s MET 70 N -3.42 0.81 0.17 1.25 1.75 -1.26 -2.34 119.30 116.26 1qtt s MET 70 Ca 0.04 0.88 0.05 0.00 -1.25 0.00 0.00 55.69 55.42 1qtt s MET 70 Cb 0.08 0.39 -0.04 0.00 2.84 0.00 0.00 34.83 38.10 1qtt s MET 70 CO 0.59 -0.11 0.12 -1.58 -0.65 0.00 0.00 175.02 173.39 1qtt s TRP 71 N 0.23 3.10 -0.28 4.11 0.51 -0.73 -3.04 118.94 122.83 1qtt s TRP 71 Ca -0.00 -0.04 -0.03 0.00 -2.12 0.00 0.00 56.10 53.91 1qtt s TRP 71 Cb -0.05 -1.48 0.10 0.00 -0.81 0.00 0.00 33.47 31.22 1qtt s TRP 71 CO 0.01 0.52 0.11 -1.14 -0.51 0.00 0.00 176.95 175.94 1qtt s GLN 72 N -3.12 0.41 -0.29 4.98 2.00 0.12 -2.58 119.66 121.19 1qtt s GLN 72 Ca 0.31 -0.70 -0.35 0.00 -2.00 0.00 0.00 55.36 52.61 1qtt s GLN 72 Cb -0.10 -1.57 -0.11 0.00 0.80 0.00 0.00 33.01 32.03 1qtt s GLN 72 CO 0.23 -0.96 2.08 -0.11 -0.50 0.00 0.00 175.29 176.03 1qtt n LEU 73 N 5.09 2.47 0.00 3.68 7.94 0.25 0.01 117.00 136.44 1qtt n LEU 73 Ca -0.05 0.58 -0.16 0.00 -1.11 0.00 0.00 56.01 55.27 1qtt n LEU 73 Cb 0.43 -1.29 0.05 0.00 0.53 0.00 0.00 43.42 43.14 1qtt n LEU 73 CO 0.08 -0.57 0.27 -1.22 -1.11 0.00 0.00 177.39 174.83 1qtt n TYR 74 N 8.87 -2.22 -1.53 1.96 4.02 -0.28 -4.87 117.16 123.11 1qtt n TYR 74 Ca 0.35 -1.73 -0.29 0.00 -0.01 0.00 0.00 57.90 56.22 1qtt n TYR 74 Cb 0.24 -0.43 0.17 0.00 -0.02 0.00 0.00 39.34 39.30 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 -4.08 0.54 0.08 -0.72 0.04 -1.26 -4.29 135.00 125.31 1qtt s PRO 75 Ca 0.46 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1qtt s PRO 75 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1qtt s PRO 75 CO 0.29 -2.56 0.00 -1.91 0.04 0.00 0.00 177.00 172.86 1qtt n GLU 76 N -3.97 0.00 0.00 4.56 0.00 -1.26 -3.71 120.64 116.26 1qtt n GLU 76 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 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 -1.91 0.00 0.00 0.00 177.13 175.22 1qtt n GLU 77 N 0.00 0.00 -3.94 5.31 2.13 -1.26 -5.17 120.64 117.71 1qtt n GLU 77 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1qtt n GLU 77 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 1.12 -0.19 5.31 3.00 -1.24 -3.04 118.95 123.90 1qtt s ARG 78 Ca 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 55.73 54.57 1qtt s ARG 78 Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 34.95 35.32 1qtt s ARG 78 CO 0.00 -0.40 -0.06 0.71 0.00 0.00 0.00 175.30 175.54 1qtt s TYR 79 N -3.95 2.93 -0.31 -0.53 1.51 0.26 -1.13 117.35 116.14 1qtt s TYR 79 Ca 0.15 -0.82 -0.14 0.00 -1.01 0.00 0.00 57.07 55.25 1qtt s TYR 79 Cb 0.03 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1qtt s TYR 79 CO -0.02 -0.43 0.32 1.41 -1.11 0.00 0.00 175.55 175.72 1qtt s MET 80 N 1.12 3.77 0.00 -0.62 -2.45 0.10 0.65 119.30 121.87 1qtt s MET 80 Ca 0.01 -0.28 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1qtt s MET 80 Cb -0.15 -3.73 0.00 0.00 1.25 0.00 0.00 34.83 32.20 1qtt s MET 80 CO -0.01 -0.37 0.00 -0.40 1.05 0.00 0.00 175.02 175.29 1qtt n ASP 81 N 5.28 -0.78 -0.11 1.11 3.85 -0.67 0.14 116.55 125.38 1qtt n ASP 81 Ca -0.10 -0.46 0.01 0.00 -0.71 0.00 0.00 54.79 53.53 1qtt n ASP 81 Cb 0.50 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.28 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 -2.54 1.16 -0.07 -1.12 0.23 -1.17 -4.65 115.26 107.10 1qtt n ASN 82 Ca 0.00 -1.08 -0.14 0.00 -0.53 0.00 0.00 54.58 52.83 1qtt n ASN 82 Cb 0.00 0.07 -0.11 0.00 -2.08 0.00 0.00 39.78 37.66 1qtt n ASN 82 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1qtt h ASN 83 N 0.53 0.00 0.00 0.53 -0.73 -1.94 -3.48 115.58 110.49 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 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1qtt h ASN 83 CO 0.00 1.03 0.00 -1.20 -0.37 0.00 0.00 177.43 176.89 1qtt n SER 84 N -4.60 0.00 -3.94 1.15 7.64 -1.26 -5.17 113.62 107.44 1qtt n SER 84 Ca -0.13 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.67 1qtt n SER 84 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.87 -0.16 1.43 0.52 -1.26 -5.07 118.95 115.27 1qtt s ARG 85 Ca 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1qtt s ARG 85 Cb 0.00 0.32 0.03 0.00 0.52 0.00 0.00 34.95 35.82 1qtt s ARG 85 CO 0.00 -0.27 -0.10 -1.17 0.02 0.00 0.00 175.30 173.78 1qtt s LEU 86 N -2.90 1.75 -0.05 2.53 0.20 -1.26 -1.66 118.68 117.28 1qtt s LEU 86 Ca 0.09 -0.61 -0.18 0.00 0.69 0.00 0.00 54.13 54.12 1qtt s LEU 86 Cb 0.05 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.69 1qtt s LEU 86 CO -0.08 -0.12 0.49 0.26 -0.29 0.00 0.00 176.35 176.61 1qtt s TRP 87 N 1.53 3.62 -0.24 5.38 0.52 0.21 -4.26 118.94 125.71 1qtt s TRP 87 Ca 0.02 1.00 -0.18 0.00 0.02 0.00 0.00 56.10 56.96 1qtt s TRP 87 Cb -0.14 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1qtt s TRP 87 CO -0.09 0.36 0.52 -1.14 0.02 0.00 0.00 176.95 176.62 1qtt s GLN 88 N -0.11 4.11 -0.77 4.98 0.74 0.78 0.91 119.66 130.30 1qtt s GLN 88 Ca 0.26 0.36 -0.26 0.00 0.05 0.00 0.00 55.36 55.77 1qtt s GLN 88 Cb -0.16 -3.62 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 1qtt s GLN 88 CO 0.13 -0.29 2.24 0.42 -0.55 0.00 0.00 175.29 177.24 1qtt s ILE 89 N 2.10 3.16 0.22 -2.34 -1.09 -1.17 -0.13 121.20 121.95 1qtt s ILE 89 Ca 0.22 -0.09 -0.08 0.00 -2.23 0.00 0.00 60.65 58.46 1qtt s ILE 89 Cb -0.16 -3.37 0.17 0.00 -1.58 0.00 0.00 42.46 37.53 1qtt s ILE 89 CO 0.09 -0.35 1.71 -0.61 -1.23 0.00 0.00 174.94 174.56 1qtt h GLN 90 N 13.33 0.31 -1.40 2.79 -0.00 -0.53 -3.44 115.11 126.17 1qtt h GLN 90 Ca -0.02 -0.02 0.12 0.00 -0.00 0.00 0.00 58.65 58.73 1qtt h GLN 90 Cb 1.05 -0.07 -0.28 0.00 0.00 0.00 0.00 27.48 28.18 1qtt h GLN 90 CO 1.10 0.20 0.63 -3.38 0.00 0.00 0.00 178.83 177.39 1qtt s HIS 91 N -6.09 -0.30 -0.13 3.99 -3.43 -1.21 -4.98 115.29 103.14 1qtt s HIS 91 Ca -0.13 0.68 -0.02 0.00 -0.80 0.00 0.00 55.06 54.79 1qtt s HIS 91 Cb 0.18 0.42 0.04 0.00 -1.43 0.00 0.00 32.58 31.80 1qtt s HIS 91 CO 0.75 -0.18 0.03 -1.58 -2.00 0.00 0.00 174.74 171.76 1qtt s HIS 92 N -0.19 0.69 0.03 0.38 2.46 -1.26 0.07 115.29 117.46 1qtt s HIS 92 Ca 0.04 -0.41 -0.01 0.00 0.47 0.00 0.00 55.06 55.15 1qtt s HIS 92 Cb -0.04 -0.85 0.00 0.00 -0.13 0.00 0.00 32.58 31.57 1qtt s HIS 92 CO -0.07 -0.45 0.05 1.47 -2.47 0.00 0.00 174.74 173.27 1qtt n LEU 93 N 5.14 0.00 -4.12 8.88 -0.00 -1.14 -4.98 117.00 120.77 1qtt n LEU 93 Ca -0.07 -0.25 -0.29 0.00 -0.00 0.00 0.00 56.01 55.40 1qtt n LEU 93 Cb 0.49 0.27 -0.17 0.00 -0.00 0.00 0.00 43.42 44.01 1qtt n LEU 93 CO 0.11 -0.07 -0.52 -0.32 -0.00 0.00 0.00 177.39 176.60 1qtt s MET 94 N -2.05 2.47 -0.04 1.47 -2.45 -1.26 -0.69 119.30 116.76 1qtt s MET 94 Ca 0.02 -0.67 0.04 0.00 -1.25 0.00 0.00 55.69 53.83 1qtt s MET 94 Cb -0.00 -1.96 -0.00 0.00 1.25 0.00 0.00 34.83 34.11 1qtt s MET 94 CO 0.02 0.06 -0.15 0.08 1.05 0.00 0.00 175.02 176.08 1qtt s VAL 95 N 0.63 1.24 -1.54 10.11 1.01 0.55 -4.74 120.40 127.66 1qtt s VAL 95 Ca -0.14 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1qtt s VAL 95 Cb -0.16 -1.07 0.13 0.00 0.00 0.00 0.00 36.38 35.27 1qtt s VAL 95 CO 0.04 0.36 0.70 0.54 0.00 0.00 0.00 175.10 176.74 1qtt n ARG 96 N 3.16 -3.29 -1.86 2.72 1.74 -1.26 0.20 116.66 118.06 1qtt n ARG 96 Ca -0.18 0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1qtt n ARG 96 Cb 0.53 -5.12 -0.02 0.00 -1.02 0.00 0.00 32.46 26.82 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qtt n GLY 97 N -1.31 0.47 2.98 -0.13 0.00 -1.26 -5.00 105.19 100.94 1qtt n GLY 97 Ca 0.05 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.54 0.94 -0.37 1.61 1.01 0.52 -5.02 120.40 116.55 1qtt s VAL 98 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 1qtt s VAL 98 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1qtt s VAL 98 CO 0.00 0.31 1.04 -1.10 0.00 0.00 0.00 175.10 175.35 1qtt s GLN 99 N 0.74 3.91 -0.41 2.72 -0.21 -1.25 0.21 119.66 125.37 1qtt s GLN 99 Ca -0.13 0.78 -0.09 0.00 0.02 0.00 0.00 55.36 55.94 1qtt s GLN 99 Cb -0.15 -3.80 0.07 0.00 1.00 0.00 0.00 33.01 30.13 1qtt s GLN 99 CO 0.03 -1.03 0.24 -2.00 -2.12 0.00 0.00 175.29 170.40 1qtt s GLU 100 N 3.77 2.60 -0.26 2.91 2.12 0.14 0.96 118.70 130.94 1qtt s GLU 100 Ca 0.43 -1.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.25 1qtt s GLU 100 Cb -0.11 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1qtt s GLU 100 CO 0.20 -0.91 0.14 -1.17 -0.54 0.00 0.00 175.26 172.98 1qtt s LEU 101 N 1.42 3.85 -0.24 2.70 0.20 0.63 -2.90 118.68 124.33 1qtt s LEU 101 Ca 0.03 -0.05 -0.13 0.00 0.69 0.00 0.00 54.13 54.67 1qtt s LEU 101 Cb -0.22 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 1qtt s LEU 101 CO 0.02 -0.01 0.28 -0.76 -0.29 0.00 0.00 176.35 175.59 1qtt s LEU 102 N 1.52 4.09 -0.14 -0.68 1.43 0.11 0.26 118.68 125.27 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 -0.15 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1qtt s LEU 102 CO 0.07 -0.05 -0.11 -0.76 0.23 0.00 0.00 176.35 175.73 1qtt s LEU 103 N 1.47 2.81 -0.15 1.79 1.43 -1.03 0.26 118.68 125.27 1qtt s LEU 103 Ca 0.12 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1qtt s LEU 103 Cb -0.15 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1qtt s LEU 103 CO 0.08 0.15 -0.17 -0.75 0.23 0.00 0.00 176.35 175.89 1qtt s LYS 104 N 0.42 3.18 -0.27 1.70 2.47 0.82 0.88 119.74 128.94 1qtt s LYS 104 Ca -0.09 -0.77 -0.08 0.00 -1.56 0.00 0.00 55.97 53.48 1qtt s LYS 104 Cb -0.16 -2.57 -0.01 0.00 -1.46 0.00 0.00 37.83 33.63 1qtt s LYS 104 CO 0.05 0.04 0.09 -1.17 0.16 0.00 0.00 175.35 174.51 1qtt s LEU 105 N 0.75 3.67 0.36 5.43 2.96 0.20 0.27 118.68 132.33 1qtt s LEU 105 Ca -0.07 -0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 53.19 1qtt s LEU 105 Cb -0.16 -1.93 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 1qtt s LEU 105 CO 0.01 -0.11 1.08 -0.76 -1.32 0.00 0.00 176.35 175.25 1qtt s LEU 106 N 1.59 4.28 0.68 -0.68 2.01 -1.26 -3.26 118.68 122.04 1qtt s LEU 106 Ca 0.05 2.14 -0.11 0.00 0.01 0.00 0.00 54.13 56.22 1qtt s LEU 106 Cb -0.16 -3.99 0.00 0.00 0.01 0.00 0.00 46.19 42.05 1qtt s LEU 106 CO 0.04 -0.40 1.06 -2.16 1.01 0.00 0.00 176.35 175.90 1qtt s PRO 107 N -2.14 3.00 -0.58 1.29 0.04 -1.26 -4.96 135.00 130.39 1qtt s PRO 107 Ca 0.53 0.98 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1qtt s PRO 107 Cb -0.26 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.43 1qtt s PRO 107 CO 0.33 -1.05 0.34 0.34 0.04 0.00 0.00 177.00 176.99 1qtt s ASP 108 N -3.67 4.53 -0.17 6.66 2.15 -1.26 -4.91 116.67 119.99 1qtt s ASP 108 Ca 0.59 -3.22 -0.12 0.00 0.43 0.00 0.00 52.55 50.23 1qtt s ASP 108 Cb -0.14 -1.66 0.05 0.00 -0.30 0.00 0.00 42.92 40.86 1qtt s ASP 108 CO 0.53 -0.21 0.23 -0.67 -0.17 0.00 0.00 175.17 174.89 1qtt n ASP 109 N 2.85 -0.38 -4.23 -0.34 -0.08 -1.26 -5.05 116.55 108.06 1qtt n ASP 109 Ca 0.09 1.23 -0.24 0.00 -1.51 0.00 0.00 54.79 54.37 1qtt n ASP 109 Cb 0.33 -4.92 -0.13 0.00 2.34 0.00 0.00 41.12 38.74 1qtt n ASP 109 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qtt s ARG 110 N -0.71 1.20 0.36 -0.67 1.70 -1.26 -5.03 118.95 114.55 1qtt s ARG 110 Ca -0.27 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 1qtt s ARG 110 Cb 0.02 -1.32 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 1qtt s ARG 110 CO 0.73 0.33 0.00 0.45 -1.08 0.00 0.00 175.30 175.73 1qtt n SER 111 N 1.67 -9.28 -4.06 -2.89 2.88 -1.26 -4.58 113.62 96.10 1qtt n SER 111 Ca -0.18 1.32 -0.40 0.00 -1.33 0.00 0.00 58.87 58.28 1qtt n SER 111 Cb 0.54 -4.93 -0.03 0.00 -0.75 0.00 0.00 64.21 59.04 1qtt n SER 111 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qtt n PRO 112 N 0.59 2.26 -2.46 -1.46 -0.04 -1.26 -4.58 135.00 128.06 1qtt n PRO 112 Ca 0.00 -2.49 -0.02 0.00 -0.04 0.00 0.00 63.50 60.95 1qtt n PRO 112 Cb 0.00 -3.31 -0.02 0.00 -0.04 0.00 0.00 33.50 30.13 1qtt n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qtt n GLY 113 N 4.86 -5.30 3.46 0.55 0.00 -1.26 -4.97 105.19 102.52 1qtt n GLY 113 Ca 0.49 0.73 -0.35 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.59 4.08 -0.37 -0.61 2.07 -1.26 -5.05 121.20 119.47 1qtt s ILE 114 Ca -0.11 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1qtt s ILE 114 Cb 0.01 -2.86 0.13 0.00 0.13 0.00 0.00 42.46 39.87 1qtt s ILE 114 CO 0.29 0.41 0.19 -1.00 -1.91 0.00 0.00 174.94 172.93 1qtt s HIS 115 N 1.07 1.24 -0.17 3.50 3.76 -1.26 -5.09 115.29 118.34 1qtt s HIS 115 Ca 0.03 -1.83 -0.30 0.00 -0.15 0.00 0.00 55.06 52.81 1qtt s HIS 115 Cb -0.14 -1.35 0.13 0.00 1.11 0.00 0.00 32.58 32.33 1qtt s HIS 115 CO 0.02 -0.82 1.04 -0.98 -0.85 0.00 0.00 174.74 173.15 1qtt s ARG 116 N 1.03 0.53 0.00 1.40 1.70 -1.26 -5.31 118.95 117.03 1qtt s ARG 116 Ca 0.16 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 1qtt s ARG 116 Cb -0.22 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1qtt s ARG 116 CO -0.07 -0.17 0.09 -0.40 -1.08 0.00 0.00 175.30 173.67