#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 -0.52 -0.37 1.61 0.01 -1.26 -5.05 113.70 108.12 1qtt s SER 2 Ca 0.00 1.03 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 1qtt s SER 2 Cb 0.00 -1.52 0.19 0.00 0.21 0.00 0.00 66.02 64.90 1qtt s SER 2 CO 0.00 -5.06 0.90 -0.32 0.41 0.00 0.00 173.24 169.18 1qtt s MET 3 N -4.90 0.45 0.85 12.44 -2.45 -1.26 -5.16 119.30 119.28 1qtt s MET 3 Ca 0.69 -0.22 -0.12 0.00 -1.25 0.00 0.00 55.69 54.78 1qtt s MET 3 Cb -0.17 0.03 0.11 0.00 1.25 0.00 0.00 34.83 36.06 1qtt s MET 3 CO 0.60 -0.63 1.18 0.00 1.05 0.00 0.00 175.02 177.23 1qtt s ALA 4 N 1.70 1.67 0.00 4.11 0.00 -1.26 -5.01 121.76 122.97 1qtt s ALA 4 Ca 0.17 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1qtt s ALA 4 Cb 0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1qtt s ALA 4 CO -0.11 -2.51 0.00 0.41 0.00 0.00 0.00 175.76 173.55 1qtt n GLY 5 N 0.38 -3.23 3.55 0.00 0.00 -1.26 -5.09 105.19 99.55 1qtt n GLY 5 Ca 0.13 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1qtt n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qtt s GLU 6 N 0.00 0.59 -0.04 1.61 -1.05 -1.26 -5.17 118.70 113.38 1qtt s GLU 6 Ca 0.00 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.75 1qtt s GLU 6 Cb 0.00 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1qtt s GLU 6 CO 0.00 -0.23 -0.14 -0.51 0.95 0.00 0.00 175.26 175.33 1qtt s ASP 7 N -1.91 4.08 1.04 0.83 -0.00 -1.26 -4.85 116.67 114.59 1qtt s ASP 7 Ca 0.04 -0.20 -0.21 0.00 -0.00 0.00 0.00 52.55 52.18 1qtt s ASP 7 Cb -0.01 -0.86 -0.01 0.00 -0.00 0.00 0.00 42.92 42.05 1qtt s ASP 7 CO -0.05 0.34 -0.58 0.52 -0.00 0.00 0.00 175.17 175.40 1qtt n VAL 8 N 2.19 0.00 -0.09 -1.27 0.31 -1.26 -4.98 118.33 113.22 1qtt n VAL 8 Ca -0.17 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1qtt n VAL 8 Cb 0.52 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 33.09 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 2.69 -0.56 3.61 2.92 0.00 -1.26 -5.07 105.19 107.53 1qtt n GLY 9 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.89 -1.78 0.99 4.61 0.00 -1.26 -5.18 121.76 116.26 1qtt s ALA 10 Ca -0.29 1.90 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 1qtt s ALA 10 Cb 0.04 -0.96 0.19 0.00 0.00 0.00 0.00 23.12 22.39 1qtt s ALA 10 CO 0.42 -0.35 1.18 -1.25 0.00 0.00 0.00 175.76 175.76 1qtt s PRO 11 N 0.09 0.45 -0.85 0.00 0.04 -1.26 -4.93 135.00 128.54 1qtt s PRO 11 Ca -0.02 0.03 -0.25 0.00 0.04 0.00 0.00 61.00 60.80 1qtt s PRO 11 Cb -0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qtt s PRO 11 CO 0.03 -2.61 1.64 -1.25 0.04 0.00 0.00 177.00 174.84 1qtt s PRO 12 N -5.46 3.02 0.55 0.56 0.04 -1.26 -4.81 135.00 127.64 1qtt s PRO 12 Ca 0.68 -0.38 0.47 0.00 0.04 0.00 0.00 61.00 61.81 1qtt s PRO 12 Cb -0.11 -4.86 1.69 0.00 0.04 0.00 0.00 34.50 31.27 1qtt s PRO 12 CO 0.54 -2.64 1.62 0.22 0.04 0.00 0.00 177.00 176.77 1qtt h ASP 13 N 11.25 0.02 -4.80 6.66 3.58 -1.95 -3.39 116.42 127.78 1qtt h ASP 13 Ca -0.01 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1qtt h ASP 13 Cb 1.04 0.01 -0.21 0.00 1.72 0.00 0.00 39.33 41.90 1qtt h ASP 13 CO 1.30 -0.02 -0.23 -1.38 -2.88 0.00 0.00 179.24 176.03 1qtt s HIS 14 N -4.91 -0.26 0.06 0.28 -3.43 -1.26 -0.59 115.29 105.18 1qtt s HIS 14 Ca -0.05 0.46 0.06 0.00 -0.80 0.00 0.00 55.06 54.73 1qtt s HIS 14 Cb 0.26 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1qtt s HIS 14 CO 0.88 -0.38 -0.16 -0.51 -2.00 0.00 0.00 174.74 172.57 1qtt s LEU 15 N -1.06 2.22 -0.19 5.38 1.43 -1.13 -3.57 118.68 121.76 1qtt s LEU 15 Ca -0.11 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1qtt s LEU 15 Cb -0.04 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.57 1qtt s LEU 15 CO 0.04 0.02 -0.00 0.26 0.23 0.00 0.00 176.35 176.90 1qtt s TRP 16 N -1.02 1.42 -0.11 0.29 0.51 0.37 -2.22 118.94 118.17 1qtt s TRP 16 Ca 0.02 -1.04 -0.29 0.00 -2.12 0.00 0.00 56.10 52.66 1qtt s TRP 16 Cb -0.09 -1.18 -0.03 0.00 -0.81 0.00 0.00 33.47 31.36 1qtt s TRP 16 CO 0.02 -0.63 1.44 0.54 -0.51 0.00 0.00 176.95 177.81 1qtt s VAL 17 N 1.73 3.96 -0.04 4.03 0.11 -1.00 0.20 120.40 129.38 1qtt s VAL 17 Ca -0.01 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.22 1qtt s VAL 17 Cb -0.17 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1qtt s VAL 17 CO -0.07 -0.10 -0.01 1.57 -3.33 0.00 0.00 175.10 173.15 1qtt n HIS 18 N 6.82 0.00 -4.33 1.54 -0.00 -1.22 -4.94 115.22 113.09 1qtt n HIS 18 Ca 0.15 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.16 1qtt n HIS 18 Cb 0.44 -0.19 -0.10 0.00 -0.12 0.00 0.00 29.99 30.02 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 -2.10 1.29 -0.25 1.57 -0.21 -1.26 -3.89 119.66 114.81 1qtt s GLN 19 Ca -0.04 -1.59 -0.32 0.00 0.02 0.00 0.00 55.36 53.43 1qtt s GLN 19 Cb 0.01 -0.94 -0.09 0.00 1.00 0.00 0.00 33.01 32.99 1qtt s GLN 19 CO 0.14 0.11 2.14 -1.91 -2.12 0.00 0.00 175.29 173.65 1qtt n GLU 20 N -0.36 1.60 -1.97 2.91 2.13 -1.26 0.42 120.64 124.10 1qtt n GLU 20 Ca -0.08 0.47 -0.08 0.00 0.66 0.00 0.00 57.16 58.13 1qtt n GLU 20 Cb 0.61 -2.77 -0.01 0.00 0.27 0.00 0.00 31.44 29.54 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 5.86 0.23 3.29 8.31 0.00 -1.26 -4.93 105.19 116.70 1qtt n GLY 21 Ca 0.34 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.40 1.51 -0.06 -0.61 1.09 0.17 0.20 121.20 121.10 1qtt s ILE 22 Ca 0.00 -1.99 -0.21 0.00 -1.10 0.00 0.00 60.65 57.35 1qtt s ILE 22 Cb 0.00 -1.82 0.04 0.00 -1.06 0.00 0.00 42.46 39.62 1qtt s ILE 22 CO 0.00 -0.54 0.48 -0.31 -0.10 0.00 0.00 174.94 174.47 1qtt s TYR 23 N -2.67 -0.42 -0.17 3.97 2.02 0.12 -3.40 117.35 116.80 1qtt s TYR 23 Ca 0.16 0.78 -0.07 0.00 -0.37 0.00 0.00 57.07 57.57 1qtt s TYR 23 Cb -0.02 0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.73 1qtt s TYR 23 CO 0.04 -0.44 0.05 0.50 -1.57 0.00 0.00 175.55 174.13 1qtt s ARG 24 N -0.97 3.82 0.96 -0.62 3.52 0.52 0.27 118.95 126.45 1qtt s ARG 24 Ca -0.10 -0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 1qtt s ARG 24 Cb -0.03 -3.15 0.21 0.00 -1.56 0.00 0.00 34.95 30.42 1qtt s ARG 24 CO 0.06 0.35 1.32 0.34 -0.81 0.00 0.00 175.30 176.55 1qtt s ASP 25 N 0.14 3.06 -0.13 -2.12 3.68 0.44 -0.48 116.67 121.26 1qtt s ASP 25 Ca 0.04 0.17 0.09 0.00 2.13 0.00 0.00 52.55 54.98 1qtt s ASP 25 Cb -0.12 -0.19 0.48 0.00 -1.45 0.00 0.00 42.92 41.64 1qtt s ASP 25 CO 0.01 -2.76 1.25 -1.84 0.13 0.00 0.00 175.17 171.95 1qtt n GLU 26 N -3.75 3.19 -2.53 4.34 0.28 -1.23 -3.86 120.64 117.07 1qtt n GLU 26 Ca 0.16 -1.84 -0.01 0.00 -0.16 0.00 0.00 57.16 55.32 1qtt n GLU 26 Cb 0.59 -1.90 0.06 0.00 1.43 0.00 0.00 31.44 31.63 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 0.41 0.05 -3.63 -1.84 4.01 -1.26 -4.98 117.16 109.92 1qtt n TYR 27 Ca 0.16 -1.74 -0.23 0.00 -0.16 0.00 0.00 57.90 55.94 1qtt n TYR 27 Cb 0.77 0.36 0.07 0.00 -0.31 0.00 0.00 39.34 40.22 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 -0.73 -6.70 -4.08 -0.72 1.13 -1.25 -4.98 117.38 100.05 1qtt n GLN 28 Ca -0.03 0.76 -0.32 0.00 -1.94 0.00 0.00 57.00 55.47 1qtt n GLN 28 Cb 0.86 -5.70 -0.15 0.00 0.11 0.00 0.00 30.24 25.35 1qtt n GLN 28 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1qtt s ARG 29 N -6.07 2.49 0.32 -1.09 3.52 -1.26 -4.93 118.95 111.93 1qtt s ARG 29 Ca 0.36 -1.14 -0.27 0.00 -0.13 0.00 0.00 55.73 54.55 1qtt s ARG 29 Cb -0.17 -2.75 -0.09 0.00 -1.56 0.00 0.00 34.95 30.38 1qtt s ARG 29 CO 0.76 -0.44 1.00 0.95 -0.81 0.00 0.00 175.30 176.76 1qtt s THR 30 N 1.19 3.93 0.18 4.11 -4.23 -1.26 0.17 115.64 119.72 1qtt s THR 30 Ca -0.04 1.69 0.08 0.00 -1.18 0.00 0.00 61.69 62.24 1qtt s THR 30 Cb -0.17 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1qtt s THR 30 CO -0.08 0.21 -0.16 0.26 -0.54 0.00 0.00 174.62 174.32 1qtt s TRP 31 N -1.47 1.69 -0.35 3.99 0.52 0.76 -2.57 118.94 121.51 1qtt s TRP 31 Ca 0.49 -0.54 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1qtt s TRP 31 Cb -0.23 -0.82 0.10 0.00 -1.15 0.00 0.00 33.47 31.37 1qtt s TRP 31 CO 0.29 0.31 0.10 0.08 0.02 0.00 0.00 176.95 177.75 1qtt s VAL 32 N -2.56 1.76 -0.43 4.03 1.01 0.65 0.14 120.40 125.00 1qtt s VAL 32 Ca 0.18 -2.12 -0.26 0.00 0.00 0.00 0.00 61.98 59.79 1qtt s VAL 32 Cb -0.03 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1qtt s VAL 32 CO 0.06 -0.66 0.94 0.00 0.00 0.00 0.00 175.10 175.43 1qtt s ALA 33 N 1.01 3.28 -0.58 5.51 0.00 0.54 0.51 121.76 132.04 1qtt s ALA 33 Ca 0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1qtt s ALA 33 Cb -0.19 -3.62 0.14 0.00 0.00 0.00 0.00 23.12 19.45 1qtt s ALA 33 CO -0.13 -1.93 0.53 0.08 0.00 0.00 0.00 175.76 174.32 1qtt s VAL 34 N 3.71 5.23 0.02 0.00 1.01 0.47 -4.13 120.40 126.69 1qtt s VAL 34 Ca 0.38 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 1qtt s VAL 34 Cb -0.10 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1qtt s VAL 34 CO 0.24 -0.89 1.55 0.54 0.00 0.00 0.00 175.10 176.55 1qtt s VAL 35 N 1.38 3.40 -0.30 2.92 0.11 -1.26 -1.57 120.40 125.08 1qtt s VAL 35 Ca 0.05 0.76 0.06 0.00 -2.93 0.00 0.00 61.98 59.92 1qtt s VAL 35 Cb -0.27 -3.49 0.20 0.00 -1.53 0.00 0.00 36.38 31.29 1qtt s VAL 35 CO 0.01 -0.01 0.58 -0.70 -3.33 0.00 0.00 175.10 171.65 1qtt s GLU 36 N 2.81 0.56 0.83 1.54 2.12 0.12 -4.99 118.70 121.70 1qtt s GLU 36 Ca 0.70 0.48 -0.15 0.00 0.36 0.00 0.00 54.97 56.36 1qtt s GLU 36 Cb -0.35 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1qtt s GLU 36 CO 0.29 -1.06 0.34 -0.85 -0.54 0.00 0.00 175.26 173.45 1qtt n GLU 37 N 5.37 0.04 -2.86 4.30 0.00 -1.25 -3.63 120.64 122.61 1qtt n GLU 37 Ca 0.05 0.06 -0.34 0.00 0.00 0.00 0.00 57.16 56.93 1qtt n GLU 37 Cb 0.54 -1.73 -0.02 0.00 0.00 0.00 0.00 31.44 30.23 1qtt n GLU 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1qtt n GLU 38 N -0.71 4.18 -0.26 3.44 -0.58 -1.23 -4.76 120.64 120.72 1qtt n GLU 38 Ca 0.08 -4.75 0.00 0.00 -0.42 0.00 0.00 57.16 52.06 1qtt n GLU 38 Cb 0.52 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 1qtt n GLU 38 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1qtt n THR 39 N 0.03 0.00 0.00 2.62 -1.04 -1.26 -4.24 114.28 110.39 1qtt n THR 39 Ca 0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1qtt n THR 39 Cb 0.33 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1qtt n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qtt n SER 40 N 0.00 0.00 -2.47 8.00 7.64 -1.26 -5.18 113.62 120.35 1qtt n SER 40 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1qtt n SER 40 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.00 -2.08 -3.80 1.43 3.72 -1.26 -5.06 117.46 110.41 1qtt n PHE 41 Ca 0.00 -1.55 -0.29 0.00 -0.05 0.00 0.00 57.45 55.57 1qtt n PHE 41 Cb 0.00 0.74 -0.12 0.00 -0.94 0.00 0.00 39.48 39.16 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 3.80 -0.32 4.37 2.01 -1.22 -3.53 118.68 123.78 1qtt s LEU 42 Ca 0.14 -3.31 -0.14 0.00 0.01 0.00 0.00 54.13 50.82 1qtt s LEU 42 Cb -0.04 -1.34 -0.02 0.00 0.01 0.00 0.00 46.19 44.80 1qtt s LEU 42 CO 0.10 -0.16 0.32 -0.60 1.01 0.00 0.00 176.35 177.02 1qtt s ARG 43 N -0.63 3.66 -0.76 1.70 3.52 -1.24 -0.64 118.95 124.57 1qtt s ARG 43 Ca 0.23 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.40 1qtt s ARG 43 Cb -0.12 -3.77 0.19 0.00 -1.56 0.00 0.00 34.95 29.70 1qtt s ARG 43 CO -0.10 -0.43 0.62 0.00 -0.81 0.00 0.00 175.30 174.58 1qtt s ALA 44 N 1.94 3.90 -0.35 6.12 0.00 0.23 0.15 121.76 133.75 1qtt s ALA 44 Ca 0.11 -3.47 -0.28 0.00 0.00 0.00 0.00 51.96 48.33 1qtt s ALA 44 Cb -0.17 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1qtt s ALA 44 CO 0.11 -2.16 2.08 0.50 0.00 0.00 0.00 175.76 176.29 1qtt s ARG 45 N -0.44 2.93 -0.43 0.00 3.52 -0.61 -2.82 118.95 121.11 1qtt s ARG 45 Ca 0.21 1.54 -0.20 0.00 -0.13 0.00 0.00 55.73 57.15 1qtt s ARG 45 Cb -0.14 -4.36 0.02 0.00 -1.56 0.00 0.00 34.95 28.91 1qtt s ARG 45 CO -0.07 -2.33 0.58 0.08 -0.81 0.00 0.00 175.30 172.75 1qtt s VAL 46 N 8.72 4.91 -0.18 7.11 1.01 0.67 0.18 120.40 142.82 1qtt s VAL 46 Ca 0.89 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1qtt s VAL 46 Cb -0.24 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1qtt s VAL 46 CO 0.31 -0.52 -0.01 -1.58 0.00 0.00 0.00 175.10 173.30 1qtt s GLN 47 N 2.60 3.65 -0.24 2.72 0.74 0.18 0.22 119.66 129.54 1qtt s GLN 47 Ca 0.19 -0.51 -0.24 0.00 0.05 0.00 0.00 55.36 54.85 1qtt s GLN 47 Cb -0.15 -3.01 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 1qtt s GLN 47 CO 0.17 0.12 0.81 -1.14 -0.55 0.00 0.00 175.29 174.70 1qtt s GLN 48 N 0.71 4.18 0.18 1.67 -0.44 0.11 0.24 119.66 126.31 1qtt s GLN 48 Ca -0.01 0.91 -0.16 0.00 -2.50 0.00 0.00 55.36 53.60 1qtt s GLN 48 Cb -0.14 -3.64 0.02 0.00 -1.64 0.00 0.00 33.01 27.61 1qtt s GLN 48 CO 0.02 -0.49 0.47 0.96 0.50 0.00 0.00 175.29 176.75 1qtt s ILE 49 N 2.75 0.04 -0.37 -2.34 -0.00 -1.06 -4.00 121.20 116.21 1qtt s ILE 49 Ca 0.34 -0.82 -0.23 0.00 -0.00 0.00 0.00 60.65 59.95 1qtt s ILE 49 Cb -0.15 -1.54 0.01 0.00 -0.00 0.00 0.00 42.46 40.78 1qtt s ILE 49 CO 0.08 -0.17 0.77 0.00 -0.00 0.00 0.00 174.94 175.62 1qtt s GLN 50 N -3.87 3.72 -0.21 0.37 0.00 -1.26 -4.31 119.66 114.10 1qtt s GLN 50 Ca 0.09 0.26 -0.15 0.00 -0.00 0.00 0.00 55.36 55.57 1qtt s GLN 50 Cb 0.00 -3.82 0.06 0.00 0.00 0.00 0.00 33.01 29.25 1qtt s GLN 50 CO -0.04 -0.86 0.52 0.54 0.00 0.00 0.00 175.29 175.45 1qtt s VAL 51 N 3.09 -0.01 -0.32 3.63 0.11 -1.26 -5.12 120.40 120.52 1qtt s VAL 51 Ca 0.31 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 1qtt s VAL 51 Cb -0.13 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1qtt s VAL 51 CO 0.17 0.01 1.36 -2.16 -3.33 0.00 0.00 175.10 171.15 1qtt s PRO 52 N 0.96 3.83 -0.30 1.54 0.04 -1.26 -4.93 135.00 134.89 1qtt s PRO 52 Ca -0.05 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 1qtt s PRO 52 Cb -0.06 -3.93 -0.06 0.00 0.04 0.00 0.00 34.50 30.50 1qtt s PRO 52 CO -0.08 -1.24 2.27 1.28 0.04 0.00 0.00 177.00 179.27 1qtt n LEU 53 N 7.97 2.95 0.00 -3.56 4.32 -1.26 -4.92 117.00 122.50 1qtt n LEU 53 Ca 0.16 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1qtt n LEU 53 Cb 0.47 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1qtt n LEU 53 CO 0.65 -0.90 0.00 0.61 -1.22 0.00 0.00 177.39 176.53 1qtt n GLY 54 N 5.89 -2.06 2.80 -0.72 0.00 -1.26 -4.93 105.19 104.90 1qtt n GLY 54 Ca 0.33 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1qtt n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qtt n ASP 55 N 0.00 -1.05 -2.88 1.61 -0.08 -1.26 -5.03 116.55 107.86 1qtt n ASP 55 Ca 0.00 -1.16 -0.12 0.00 -1.51 0.00 0.00 54.79 52.00 1qtt n ASP 55 Cb 0.00 -0.77 0.02 0.00 2.34 0.00 0.00 41.12 42.71 1qtt n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qtt n ALA 56 N -4.11 2.18 -1.75 -1.67 0.00 -1.25 -4.43 120.51 109.47 1qtt n ALA 56 Ca -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1qtt n ALA 56 Cb 0.45 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.11 0.00 0.00 -1.26 -5.04 120.51 111.16 1qtt n ALA 57 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1qtt n ALA 57 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 0.05 0.00 1.74 -1.26 -4.90 116.66 113.72 1qtt n ARG 58 Ca 0.00 -3.67 -0.15 0.00 -0.77 0.00 0.00 57.85 53.27 1qtt n ARG 58 Cb 0.00 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 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 0.52 -0.86 5.56 0.13 -1.94 0.14 132.00 138.54 1qtt h PRO 59 Ca 0.10 -0.52 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1qtt h PRO 59 Cb 0.89 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1qtt h PRO 59 CO 0.56 1.15 0.03 0.45 -0.23 0.00 0.00 178.00 179.97 1qtt n SER 60 N -3.81 2.86 0.00 1.44 2.88 -1.26 -2.18 113.62 113.54 1qtt n SER 60 Ca -0.07 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 1qtt n SER 60 Cb 0.81 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.19 0.00 -0.05 0.66 8.25 -1.14 -3.50 115.22 119.63 1qtt n HIS 61 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.44 1qtt n HIS 61 Cb 0.66 0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.88 1qtt n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1qtt h LEU 62 N 0.00 0.05 0.30 2.41 5.85 -0.82 -0.59 115.31 122.50 1qtt h LEU 62 Ca 0.00 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.83 1qtt h LEU 62 Cb 0.33 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1qtt h LEU 62 CO 0.00 0.92 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.80 1qtt h LEU 63 N -0.81 -0.34 0.19 2.25 3.38 -1.60 -3.40 115.31 114.99 1qtt h LEU 63 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qtt h LEU 63 Cb 0.93 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qtt h LEU 63 CO 0.01 0.04 -0.09 0.74 0.09 0.00 0.00 178.44 179.23 1qtt h THR 64 N -0.96 0.00 -4.44 0.22 2.02 -1.71 -3.48 112.91 104.56 1qtt h THR 64 Ca -0.04 -0.31 -0.28 0.00 0.77 0.00 0.00 66.41 66.54 1qtt h THR 64 Cb 0.31 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 66.82 1qtt h THR 64 CO 0.07 0.00 -0.48 -1.54 0.37 0.00 0.00 175.52 173.93 1qtt n SER 65 N -3.56 -5.07 0.08 4.18 3.41 -0.23 -4.89 113.62 107.54 1qtt n SER 65 Ca -0.03 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1qtt n SER 65 Cb 0.10 -3.72 0.00 0.00 -0.26 0.00 0.00 64.21 60.33 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 -3.69 0.00 -2.12 4.33 6.02 -1.26 -5.01 117.38 115.65 1qtt n GLN 66 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.60 1qtt n GLN 66 Cb 0.54 -0.33 -0.01 0.00 1.02 0.00 0.00 30.24 31.46 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 -6.93 4.29 0.89 1.08 1.02 -1.26 -5.01 118.68 112.77 1qtt s LEU 67 Ca 0.00 2.61 -0.12 0.00 0.02 0.00 0.00 54.13 56.64 1qtt s LEU 67 Cb 0.00 -3.83 0.12 0.00 0.02 0.00 0.00 46.19 42.51 1qtt s LEU 67 CO 0.00 -0.70 1.13 -2.16 0.02 0.00 0.00 176.35 174.64 1qtt s PRO 68 N -2.07 1.33 0.43 1.29 0.04 -1.26 -4.79 135.00 129.97 1qtt s PRO 68 Ca 0.54 0.35 0.24 0.00 0.04 0.00 0.00 61.00 62.17 1qtt s PRO 68 Cb -0.37 -1.86 0.71 0.00 0.04 0.00 0.00 34.50 33.02 1qtt s PRO 68 CO 0.49 -2.08 1.73 1.25 0.04 0.00 0.00 177.00 178.43 1qtt h LEU 69 N -1.41 0.00 -7.09 -3.56 7.12 -1.94 -3.44 115.31 104.98 1qtt h LEU 69 Ca -0.50 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.45 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 0.62 0.18 0.06 -0.32 -0.13 0.00 0.00 178.44 178.84 1qtt s MET 70 N -3.42 0.84 0.18 1.25 1.75 -1.26 -2.36 119.30 116.28 1qtt s MET 70 Ca 0.03 0.60 0.07 0.00 -1.25 0.00 0.00 55.69 55.13 1qtt s MET 70 Cb 0.08 0.40 -0.04 0.00 2.84 0.00 0.00 34.83 38.11 1qtt s MET 70 CO 0.65 -0.17 0.05 -1.58 -0.65 0.00 0.00 175.02 173.32 1qtt s TRP 71 N -0.29 2.95 -0.33 4.11 0.51 -0.94 -3.72 118.94 121.23 1qtt s TRP 71 Ca -0.05 -0.10 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 1qtt s TRP 71 Cb -0.03 -1.41 0.12 0.00 -0.81 0.00 0.00 33.47 31.34 1qtt s TRP 71 CO 0.04 0.53 0.16 -1.14 -0.51 0.00 0.00 176.95 176.03 1qtt s GLN 72 N -3.09 0.57 -0.35 4.98 2.00 0.08 -2.84 119.66 121.01 1qtt s GLN 72 Ca 0.29 -1.09 -0.40 0.00 -2.00 0.00 0.00 55.36 52.16 1qtt s GLN 72 Cb -0.09 -1.55 -0.16 0.00 0.80 0.00 0.00 33.01 32.01 1qtt s GLN 72 CO 0.21 -1.09 1.89 -0.11 -0.50 0.00 0.00 175.29 175.68 1qtt n LEU 73 N 4.57 2.01 0.00 3.68 7.94 0.25 -0.49 117.00 134.96 1qtt n LEU 73 Ca 0.02 0.89 -0.17 0.00 -1.11 0.00 0.00 56.01 55.64 1qtt n LEU 73 Cb 0.39 -1.11 0.04 0.00 0.53 0.00 0.00 43.42 43.28 1qtt n LEU 73 CO 0.11 -0.58 0.23 -1.22 -1.11 0.00 0.00 177.39 174.83 1qtt n TYR 74 N 6.54 -2.02 -1.28 1.96 4.02 0.28 -4.84 117.16 121.83 1qtt n TYR 74 Ca 0.34 -1.74 -0.21 0.00 -0.01 0.00 0.00 57.90 56.29 1qtt n TYR 74 Cb 0.11 -0.42 0.16 0.00 -0.02 0.00 0.00 39.34 39.17 1qtt n TYR 74 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qtt n PRO 75 N -1.89 -1.69 0.00 -0.72 -0.04 -1.26 -4.25 135.00 125.15 1qtt n PRO 75 Ca 0.09 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1qtt n PRO 75 Cb 0.48 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1qtt n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qtt n GLU 76 N -3.40 0.00 0.00 0.54 1.02 -1.26 -3.27 120.64 114.27 1qtt n GLU 76 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1qtt n GLU 76 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1qtt n GLU 77 N 0.00 0.00 -3.79 3.49 2.13 -1.26 -5.17 120.64 116.03 1qtt n GLU 77 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1qtt n GLU 77 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 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 1.31 -0.18 5.31 0.52 -1.20 -3.19 118.95 121.52 1qtt s ARG 78 Ca 0.00 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.24 1qtt s ARG 78 Cb 0.00 0.48 -0.02 0.00 0.52 0.00 0.00 34.95 35.94 1qtt s ARG 78 CO 0.00 -0.54 -0.06 0.71 0.02 0.00 0.00 175.30 175.43 1qtt s TYR 79 N -3.89 2.94 -0.33 -0.53 1.51 0.26 -0.55 117.35 116.75 1qtt s TYR 79 Ca 0.11 -0.67 -0.12 0.00 -1.01 0.00 0.00 57.07 55.38 1qtt s TYR 79 Cb 0.00 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1qtt s TYR 79 CO -0.03 -0.31 0.22 1.41 -1.11 0.00 0.00 175.55 175.74 1qtt s MET 80 N 0.85 3.53 0.28 -0.62 -2.45 0.36 0.46 119.30 121.71 1qtt s MET 80 Ca -0.02 -0.61 -0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1qtt s MET 80 Cb -0.15 -3.74 0.06 0.00 1.25 0.00 0.00 34.83 32.25 1qtt s MET 80 CO 0.01 -0.40 0.38 -0.40 1.05 0.00 0.00 175.02 175.66 1qtt n ASP 81 N 5.08 0.27 -0.68 1.11 3.85 -0.85 -0.74 116.55 124.60 1qtt n ASP 81 Ca -0.13 -1.28 0.08 0.00 -0.71 0.00 0.00 54.79 52.74 1qtt n ASP 81 Cb 0.50 -0.27 0.09 0.00 -1.35 0.00 0.00 41.12 40.09 1qtt n ASP 81 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1qtt n ASN 82 N -3.11 2.49 -0.13 -1.12 0.23 -1.24 -4.24 115.26 108.14 1qtt n ASN 82 Ca 0.06 -1.72 0.14 0.00 -0.53 0.00 0.00 54.58 52.53 1qtt n ASN 82 Cb 0.19 -0.06 0.75 0.00 -2.08 0.00 0.00 39.78 38.58 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1qtt n ASN 83 N 0.89 0.40 -0.49 0.53 2.85 -1.26 -4.86 115.26 113.31 1qtt n ASN 83 Ca 0.10 -1.23 0.00 0.00 -0.11 0.00 0.00 54.58 53.34 1qtt n ASN 83 Cb 0.41 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1qtt n SER 84 N -0.64 -1.83 -3.96 1.20 2.88 -1.26 -5.07 113.62 104.93 1qtt n SER 84 Ca 0.20 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.66 1qtt n SER 84 Cb 0.16 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.08 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 -4.50 0.81 -0.22 -1.46 1.81 -1.26 -5.07 118.95 109.05 1qtt s ARG 85 Ca 0.00 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 1qtt s ARG 85 Cb 0.00 0.30 0.06 0.00 -0.45 0.00 0.00 34.95 34.85 1qtt s ARG 85 CO 0.00 -0.23 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.17 1qtt s LEU 86 N -2.91 2.27 0.04 2.53 0.20 -1.26 -2.00 118.68 117.56 1qtt s LEU 86 Ca 0.08 -1.04 -0.23 0.00 0.69 0.00 0.00 54.13 53.63 1qtt s LEU 86 Cb 0.06 -1.09 -0.06 0.00 -0.43 0.00 0.00 46.19 44.67 1qtt s LEU 86 CO -0.09 -0.23 0.70 0.26 -0.29 0.00 0.00 176.35 176.71 1qtt s TRP 87 N 1.47 3.74 -0.29 5.38 0.52 0.17 -4.34 118.94 125.59 1qtt s TRP 87 Ca -0.04 1.39 -0.17 0.00 0.02 0.00 0.00 56.10 57.30 1qtt s TRP 87 Cb -0.18 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1qtt s TRP 87 CO -0.07 0.34 0.47 -1.14 0.02 0.00 0.00 176.95 176.57 1qtt s GLN 88 N -0.25 3.91 -0.78 4.98 0.74 0.72 0.92 119.66 129.90 1qtt s GLN 88 Ca 0.35 0.08 -0.25 0.00 0.05 0.00 0.00 55.36 55.59 1qtt s GLN 88 Cb -0.20 -3.70 -0.15 0.00 1.10 0.00 0.00 33.01 30.06 1qtt s GLN 88 CO 0.21 -0.43 2.41 -0.89 -0.55 0.00 0.00 175.29 176.04 1qtt n ILE 89 N 5.23 -0.01 -0.24 -2.34 2.08 -1.19 -0.58 119.36 122.32 1qtt n ILE 89 Ca -0.06 -0.52 0.05 0.00 0.56 0.00 0.00 62.75 62.78 1qtt n ILE 89 Cb 0.50 -1.96 0.17 0.00 -0.75 0.00 0.00 39.64 37.60 1qtt n ILE 89 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1qtt h GLN 90 N 13.20 0.28 -1.38 0.38 -0.00 0.15 -3.44 115.11 124.30 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 1.03 -0.06 -0.29 0.00 0.00 0.00 0.00 27.48 28.16 1qtt h GLN 90 CO 1.05 0.19 0.64 -3.38 0.00 0.00 0.00 178.83 177.32 1qtt s HIS 91 N -6.05 -0.29 -0.14 3.99 -3.43 -1.19 -4.97 115.29 103.20 1qtt s HIS 91 Ca -0.13 0.71 -0.03 0.00 -0.80 0.00 0.00 55.06 54.82 1qtt s HIS 91 Cb 0.20 0.42 0.05 0.00 -1.43 0.00 0.00 32.58 31.82 1qtt s HIS 91 CO 0.75 -0.15 0.03 -1.58 -2.00 0.00 0.00 174.74 171.80 1qtt s HIS 92 N 0.09 0.76 0.05 0.38 2.46 -1.26 0.70 115.29 118.47 1qtt s HIS 92 Ca 0.05 -0.50 -0.01 0.00 0.47 0.00 0.00 55.06 55.06 1qtt s HIS 92 Cb -0.05 -0.89 0.00 0.00 -0.13 0.00 0.00 32.58 31.52 1qtt s HIS 92 CO -0.10 -0.48 0.09 1.47 -2.47 0.00 0.00 174.74 173.25 1qtt n LEU 93 N 5.12 0.00 -4.18 8.88 -0.00 -1.14 -4.98 117.00 120.70 1qtt n LEU 93 Ca -0.08 -0.38 -0.31 0.00 -0.00 0.00 0.00 56.01 55.24 1qtt n LEU 93 Cb 0.48 0.44 -0.17 0.00 -0.00 0.00 0.00 43.42 44.17 1qtt n LEU 93 CO 0.12 -0.10 -0.54 -0.32 -0.00 0.00 0.00 177.39 176.54 1qtt s MET 94 N -2.07 2.80 -0.01 1.47 -2.45 -1.26 -0.82 119.30 116.96 1qtt s MET 94 Ca 0.03 -0.79 0.03 0.00 -1.25 0.00 0.00 55.69 53.71 1qtt s MET 94 Cb -0.00 -2.16 -0.00 0.00 1.25 0.00 0.00 34.83 33.91 1qtt s MET 94 CO 0.02 0.12 -0.09 0.08 1.05 0.00 0.00 175.02 176.20 1qtt s VAL 95 N 0.48 0.74 -1.68 10.11 1.01 0.52 -4.78 120.40 126.80 1qtt s VAL 95 Ca -0.16 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1qtt s VAL 95 Cb -0.17 -0.63 0.15 0.00 0.00 0.00 0.00 36.38 35.73 1qtt s VAL 95 CO 0.06 0.22 0.81 0.54 0.00 0.00 0.00 175.10 176.73 1qtt n ARG 96 N 2.98 -3.40 -2.00 2.72 1.74 -1.26 0.19 116.66 117.63 1qtt n ARG 96 Ca -0.15 0.40 -0.16 0.00 -0.77 0.00 0.00 57.85 57.17 1qtt n ARG 96 Cb 0.56 -5.15 -0.03 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 -1.40 0.38 2.94 -0.13 0.00 -1.26 -4.99 105.19 100.73 1qtt n GLY 97 Ca 0.08 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.71 0.63 -0.34 1.61 1.01 0.49 -5.05 120.40 116.04 1qtt s VAL 98 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1qtt s VAL 98 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1qtt s VAL 98 CO 0.00 0.22 0.92 -1.10 0.00 0.00 0.00 175.10 175.14 1qtt s GLN 99 N 0.55 3.93 -0.38 2.72 -0.21 -1.26 0.19 119.66 125.20 1qtt s GLN 99 Ca -0.08 0.69 -0.08 0.00 0.02 0.00 0.00 55.36 55.91 1qtt s GLN 99 Cb -0.11 -3.77 0.06 0.00 1.00 0.00 0.00 33.01 30.19 1qtt s GLN 99 CO 0.01 -0.86 0.20 -2.00 -2.12 0.00 0.00 175.29 170.51 1qtt s GLU 100 N 3.36 2.62 -0.25 2.91 2.12 -0.00 0.09 118.70 129.54 1qtt s GLU 100 Ca 0.38 -1.31 -0.10 0.00 0.36 0.00 0.00 54.97 54.30 1qtt s GLU 100 Cb -0.13 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 1qtt s GLU 100 CO 0.16 -0.82 0.14 -1.17 -0.54 0.00 0.00 175.26 173.04 1qtt s LEU 101 N 1.43 3.88 -0.25 2.70 0.20 0.60 -2.89 118.68 124.34 1qtt s LEU 101 Ca 0.01 -0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.68 1qtt s LEU 101 Cb -0.21 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1qtt s LEU 101 CO 0.03 -0.00 0.27 -0.76 -0.29 0.00 0.00 176.35 175.60 1qtt s LEU 102 N 1.45 4.09 -0.15 -0.68 1.43 0.22 0.24 118.68 125.28 1qtt s LEU 102 Ca 0.07 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1qtt s LEU 102 Cb -0.15 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1qtt s LEU 102 CO 0.07 -0.05 -0.12 -0.76 0.23 0.00 0.00 176.35 175.73 1qtt s LEU 103 N 1.49 2.73 -0.14 1.79 1.43 -1.13 0.87 118.68 125.72 1qtt s LEU 103 Ca 0.12 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1qtt s LEU 103 Cb -0.15 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 1qtt s LEU 103 CO 0.08 0.12 -0.17 -0.75 0.23 0.00 0.00 176.35 175.86 1qtt s LYS 104 N 0.61 3.19 -0.29 1.70 2.47 0.26 0.75 119.74 128.44 1qtt s LYS 104 Ca -0.07 -0.78 -0.07 0.00 -1.56 0.00 0.00 55.97 53.49 1qtt s LYS 104 Cb -0.15 -2.54 -0.00 0.00 -1.46 0.00 0.00 37.83 33.68 1qtt s LYS 104 CO 0.03 0.09 0.09 -1.17 0.16 0.00 0.00 175.35 174.55 1qtt s LEU 105 N 0.62 3.82 0.26 5.43 2.96 0.19 0.26 118.68 132.22 1qtt s LEU 105 Ca -0.09 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1qtt s LEU 105 Cb -0.16 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1qtt s LEU 105 CO 0.03 -0.16 0.46 -0.76 -1.32 0.00 0.00 176.35 174.60 1qtt s LEU 106 N 1.55 4.14 0.58 -0.68 1.43 -1.26 -3.46 118.68 120.98 1qtt s LEU 106 Ca 0.04 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 1qtt s LEU 106 Cb -0.17 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1qtt s LEU 106 CO 0.03 -0.14 1.05 -2.16 0.23 0.00 0.00 176.35 175.36 1qtt s PRO 107 N -3.69 3.39 0.06 1.29 0.04 -1.26 -4.87 135.00 129.96 1qtt s PRO 107 Ca 0.39 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1qtt s PRO 107 Cb -0.10 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1qtt s PRO 107 CO 0.31 -0.75 -0.07 0.34 0.04 0.00 0.00 177.00 176.88 1qtt s ASP 108 N -2.83 0.86 -0.26 6.66 -1.08 -1.26 -4.99 116.67 113.78 1qtt s ASP 108 Ca 0.63 -0.70 -0.01 0.00 -0.52 0.00 0.00 52.55 51.95 1qtt s ASP 108 Cb -0.15 0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.38 1qtt s ASP 108 CO 0.36 -0.31 0.02 -0.67 0.52 0.00 0.00 175.17 175.10 1qtt n ASP 109 N 0.96 -6.52 -4.13 -0.34 2.03 -1.26 -5.06 116.55 102.23 1qtt n ASP 109 Ca -0.19 1.24 -0.14 0.00 0.52 0.00 0.00 54.79 56.21 1qtt n ASP 109 Cb 0.57 -4.74 -0.11 0.00 -0.72 0.00 0.00 41.12 36.11 1qtt n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qtt s ARG 110 N -1.34 0.72 -0.19 -0.67 1.70 -1.26 -5.09 118.95 112.82 1qtt s ARG 110 Ca -0.03 -1.01 -0.28 0.00 -0.47 0.00 0.00 55.73 53.94 1qtt s ARG 110 Cb 0.00 -0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 33.89 1qtt s ARG 110 CO 0.68 0.07 2.19 0.45 -1.08 0.00 0.00 175.30 177.61 1qtt s SER 111 N -2.11 5.57 0.70 -2.89 0.15 -1.26 -4.94 113.70 108.91 1qtt s SER 111 Ca -0.00 1.97 -0.11 0.00 0.70 0.00 0.00 55.95 58.51 1qtt s SER 111 Cb -0.05 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1qtt s SER 111 CO -0.00 -1.86 1.06 -2.16 1.20 0.00 0.00 173.24 171.48 1qtt s PRO 112 N 6.13 2.88 0.00 5.44 0.04 -1.26 -5.02 135.00 143.21 1qtt s PRO 112 Ca 0.99 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1qtt s PRO 112 Cb -0.34 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1qtt s PRO 112 CO 0.36 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1qtt n GLY 113 N -2.00 2.24 3.60 0.56 0.00 -1.26 -5.10 105.19 103.23 1qtt n GLY 113 Ca 0.07 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.19 -0.96 -0.61 1.10 -1.26 -4.93 121.20 118.74 1qtt s ILE 114 Ca 0.00 1.22 -0.24 0.00 -0.51 0.00 0.00 60.65 61.12 1qtt s ILE 114 Cb 0.00 -4.60 -0.06 0.00 0.15 0.00 0.00 42.46 37.96 1qtt s ILE 114 CO 0.00 -1.01 1.95 -1.00 -2.11 0.00 0.00 174.94 172.78 1qtt s HIS 115 N 4.49 1.82 -0.00 3.50 3.76 -1.26 -4.93 115.29 122.67 1qtt s HIS 115 Ca 0.48 0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 55.97 1qtt s HIS 115 Cb -0.07 -4.02 -0.04 0.00 1.11 0.00 0.00 32.58 29.55 1qtt s HIS 115 CO 0.32 -1.62 0.23 -0.98 -0.85 0.00 0.00 174.74 171.84 1qtt s ARG 116 N 6.94 3.53 0.00 1.40 1.70 -1.26 -5.37 118.95 125.89 1qtt s ARG 116 Ca 0.70 -0.16 0.12 0.00 -0.47 0.00 0.00 55.73 55.92 1qtt s ARG 116 Cb -0.06 -3.09 0.72 0.00 -0.57 0.00 0.00 34.95 31.96 1qtt s ARG 116 CO 0.02 0.66 1.15 -3.47 -1.08 0.00 0.00 175.30 172.59