#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 -0.02 -0.47 1.61 0.15 -1.26 -5.06 113.70 108.66 1qtt s SER 2 Ca 0.00 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 1qtt s SER 2 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1qtt s SER 2 CO 0.00 -0.01 0.47 0.80 1.20 0.00 0.00 173.24 175.70 1qtt n MET 3 N 1.92 -1.07 -1.76 5.44 0.00 -1.26 -4.81 117.12 115.58 1qtt n MET 3 Ca -0.12 1.28 -0.20 0.00 0.00 0.00 0.00 57.70 58.66 1qtt n MET 3 Cb 0.57 -4.44 -0.06 0.00 0.00 0.00 0.00 33.22 29.29 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 -2.82 1.14 0.00 -5.12 0.00 -1.26 -3.48 121.76 110.22 1qtt s ALA 4 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1qtt s ALA 4 Cb -0.01 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1qtt s ALA 4 CO 0.52 -5.38 0.00 0.41 0.00 0.00 0.00 175.76 171.31 1qtt n GLY 5 N 6.76 0.12 3.76 0.00 0.00 -1.26 -5.13 105.19 109.43 1qtt n GLY 5 Ca 0.43 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.00 -0.05 1.61 2.12 -1.23 -5.04 118.70 119.12 1qtt s GLU 6 Ca 0.00 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 56.82 1qtt s GLU 6 Cb 0.00 -1.94 0.08 0.00 0.26 0.00 0.00 34.13 32.54 1qtt s GLU 6 CO 0.00 -1.17 0.75 -0.51 -0.54 0.00 0.00 175.26 173.79 1qtt s ASP 7 N -1.65 -0.57 1.25 -1.70 1.11 -1.26 -5.12 116.67 108.73 1qtt s ASP 7 Ca 0.77 0.52 -0.21 0.00 0.18 0.00 0.00 52.55 53.80 1qtt s ASP 7 Cb -0.29 0.49 0.31 0.00 1.07 0.00 0.00 42.92 44.49 1qtt s ASP 7 CO 0.33 -0.60 1.11 0.52 1.18 0.00 0.00 175.17 177.71 1qtt n VAL 8 N 0.64 0.00 0.00 -1.27 0.31 -1.26 -5.04 118.33 111.71 1qtt n VAL 8 Ca -0.16 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1qtt n VAL 8 Cb 0.58 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 -4.84 -0.39 3.59 2.92 0.00 -1.26 -5.07 105.19 100.15 1qtt n GLY 9 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.21 -1.75 0.99 4.61 0.00 -1.26 -5.18 121.76 115.97 1qtt s ALA 10 Ca 0.00 1.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.65 1qtt s ALA 10 Cb 0.00 -0.91 0.19 0.00 0.00 0.00 0.00 23.12 22.40 1qtt s ALA 10 CO 0.00 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 175.35 1qtt s PRO 11 N 0.03 0.45 -0.87 0.00 0.04 -1.26 -4.93 135.00 128.46 1qtt s PRO 11 Ca -0.02 0.03 -0.25 0.00 0.04 0.00 0.00 61.00 60.79 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 -2.62 1.65 -1.25 0.04 0.00 0.00 177.00 174.85 1qtt s PRO 12 N -5.47 3.03 0.56 0.56 0.04 -1.26 -4.80 135.00 127.67 1qtt s PRO 12 Ca 0.68 -0.43 0.44 0.00 0.04 0.00 0.00 61.00 61.73 1qtt s PRO 12 Cb -0.11 -4.92 1.59 0.00 0.04 0.00 0.00 34.50 31.11 1qtt s PRO 12 CO 0.54 -2.67 1.59 0.22 0.04 0.00 0.00 177.00 176.71 1qtt h ASP 13 N 11.13 0.00 -4.86 6.66 1.82 -1.95 -3.39 116.42 125.83 1qtt h ASP 13 Ca 0.02 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1qtt h ASP 13 Cb 1.04 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.84 1qtt h ASP 13 CO 1.30 0.00 -0.20 -1.38 -1.61 0.00 0.00 179.24 177.35 1qtt s HIS 14 N -4.81 -0.29 0.04 0.28 -3.43 -1.26 0.60 115.29 106.42 1qtt s HIS 14 Ca -0.05 0.50 0.05 0.00 -0.80 0.00 0.00 55.06 54.76 1qtt s HIS 14 Cb 0.24 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 1qtt s HIS 14 CO 0.82 -0.40 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.49 1qtt s LEU 15 N -1.13 2.18 -0.18 5.38 1.43 -1.11 -3.81 118.68 121.44 1qtt s LEU 15 Ca -0.12 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1qtt s LEU 15 Cb -0.04 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.59 1qtt s LEU 15 CO 0.05 0.04 -0.02 0.26 0.23 0.00 0.00 176.35 176.91 1qtt s TRP 16 N -0.89 1.53 -0.16 0.29 0.51 0.11 -2.02 118.94 118.30 1qtt s TRP 16 Ca 0.02 -1.07 -0.29 0.00 -2.12 0.00 0.00 56.10 52.63 1qtt s TRP 16 Cb -0.08 -1.23 -0.02 0.00 -0.81 0.00 0.00 33.47 31.33 1qtt s TRP 16 CO 0.01 -0.63 1.36 0.54 -0.51 0.00 0.00 176.95 177.73 1qtt s VAL 17 N 1.69 4.11 -0.05 4.03 0.11 -0.98 0.17 120.40 129.48 1qtt s VAL 17 Ca -0.01 1.32 0.03 0.00 -2.93 0.00 0.00 61.98 60.39 1qtt s VAL 17 Cb -0.16 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.73 1qtt s VAL 17 CO -0.07 -0.17 -0.01 1.57 -3.33 0.00 0.00 175.10 173.08 1qtt n HIS 18 N 6.93 0.00 -4.31 1.54 -0.00 -0.95 -4.95 115.22 113.48 1qtt n HIS 18 Ca 0.15 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.15 1qtt n HIS 18 Cb 0.45 -0.24 -0.10 0.00 -0.12 0.00 0.00 29.99 29.97 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 -2.12 1.22 -0.32 1.57 -0.21 -1.22 -4.04 119.66 114.54 1qtt s GLN 19 Ca -0.05 -1.47 -0.35 0.00 0.02 0.00 0.00 55.36 53.51 1qtt s GLN 19 Cb 0.02 -1.03 -0.11 0.00 1.00 0.00 0.00 33.01 32.89 1qtt s GLN 19 CO 0.17 0.18 2.17 -1.91 -2.12 0.00 0.00 175.29 173.78 1qtt n GLU 20 N -0.07 1.22 -1.40 2.91 2.13 -1.26 0.15 120.64 124.31 1qtt n GLU 20 Ca -0.11 0.34 -0.08 0.00 0.66 0.00 0.00 57.16 57.97 1qtt n GLU 20 Cb 0.59 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 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 6.31 0.86 3.21 8.31 0.00 -1.26 -4.94 105.19 117.68 1qtt n GLY 21 Ca 0.39 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.33 1.63 0.06 -0.61 1.09 0.39 0.21 121.20 121.64 1qtt s ILE 22 Ca 0.00 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.70 1qtt s ILE 22 Cb 0.00 -1.36 -0.03 0.00 -1.06 0.00 0.00 42.46 40.01 1qtt s ILE 22 CO 0.00 0.46 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.90 1qtt s TYR 23 N -0.40 0.83 -0.14 3.97 2.02 0.12 -2.24 117.35 121.51 1qtt s TYR 23 Ca 0.06 -0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1qtt s TYR 23 Cb -0.09 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1qtt s TYR 23 CO -0.00 -0.06 -0.00 0.50 -1.57 0.00 0.00 175.55 174.42 1qtt s ARG 24 N -2.11 3.52 0.88 -0.62 3.52 0.45 0.26 118.95 124.85 1qtt s ARG 24 Ca -0.03 -0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 1qtt s ARG 24 Cb -0.07 -2.95 0.19 0.00 -1.56 0.00 0.00 34.95 30.56 1qtt s ARG 24 CO -0.00 0.40 1.20 0.34 -0.81 0.00 0.00 175.30 176.43 1qtt s ASP 25 N -0.05 3.45 -0.14 -2.12 -1.08 0.25 -0.71 116.67 116.27 1qtt s ASP 25 Ca 0.03 -0.14 0.05 0.00 -0.52 0.00 0.00 52.55 51.97 1qtt s ASP 25 Cb -0.13 0.05 0.36 0.00 -1.46 0.00 0.00 42.92 41.73 1qtt s ASP 25 CO 0.02 -2.49 1.20 -1.84 0.52 0.00 0.00 175.17 172.58 1qtt n GLU 26 N -3.42 2.37 -2.69 4.34 0.28 -1.25 -3.91 120.64 116.37 1qtt n GLU 26 Ca 0.17 -1.43 -0.07 0.00 -0.16 0.00 0.00 57.16 55.67 1qtt n GLU 26 Cb 0.60 -1.75 0.10 0.00 1.43 0.00 0.00 31.44 31.82 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1qtt n TYR 27 N 0.10 -1.37 -4.19 -1.84 4.01 -1.26 -4.97 117.16 107.63 1qtt n TYR 27 Ca 0.18 -2.13 -0.35 0.00 -0.16 0.00 0.00 57.90 55.45 1qtt n TYR 27 Cb 0.81 1.03 -0.03 0.00 -0.31 0.00 0.00 39.34 40.84 1qtt n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qtt n GLN 28 N -0.56 -3.10 -3.98 -0.72 0.00 -1.25 -4.91 117.38 102.85 1qtt n GLN 28 Ca -0.01 0.37 -0.34 0.00 0.00 0.00 0.00 57.00 57.02 1qtt n GLN 28 Cb 0.84 -4.97 -0.14 0.00 0.00 0.00 0.00 30.24 25.97 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1qtt s ARG 29 N -6.90 2.36 0.37 2.61 0.52 -1.26 -4.94 118.95 111.72 1qtt s ARG 29 Ca 0.62 -1.29 -0.25 0.00 -0.52 0.00 0.00 55.73 54.28 1qtt s ARG 29 Cb -0.34 -3.06 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 1qtt s ARG 29 CO 0.93 -0.59 1.06 0.95 0.02 0.00 0.00 175.30 177.66 1qtt s THR 30 N 1.19 3.66 0.14 0.02 -4.23 -1.26 0.87 115.64 116.04 1qtt s THR 30 Ca -0.07 1.36 0.09 0.00 -1.18 0.00 0.00 61.69 61.89 1qtt s THR 30 Cb -0.20 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1qtt s THR 30 CO -0.03 0.10 -0.20 0.26 -0.54 0.00 0.00 174.62 174.21 1qtt s TRP 31 N -1.53 1.85 -0.41 3.99 0.52 0.74 -2.81 118.94 121.28 1qtt s TRP 31 Ca 0.55 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1qtt s TRP 31 Cb -0.24 -0.96 0.11 0.00 -1.15 0.00 0.00 33.47 31.23 1qtt s TRP 31 CO 0.31 0.29 0.15 0.08 0.02 0.00 0.00 176.95 177.80 1qtt s VAL 32 N -1.68 2.71 -0.60 4.03 1.01 1.05 0.13 120.40 127.05 1qtt s VAL 32 Ca 0.13 -2.45 -0.26 0.00 0.00 0.00 0.00 61.98 59.40 1qtt s VAL 32 Cb -0.08 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1qtt s VAL 32 CO 0.06 -0.67 1.09 0.00 0.00 0.00 0.00 175.10 175.58 1qtt s ALA 33 N 0.73 3.03 -1.24 5.51 0.00 0.57 0.42 121.76 130.78 1qtt s ALA 33 Ca 0.11 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 1qtt s ALA 33 Cb -0.21 -3.94 0.17 0.00 0.00 0.00 0.00 23.12 19.13 1qtt s ALA 33 CO -0.05 -2.66 1.63 0.28 0.00 0.00 0.00 175.76 174.95 1qtt n VAL 34 N 6.39 4.28 -1.47 0.00 0.31 0.59 -4.34 118.33 124.08 1qtt n VAL 34 Ca 0.04 -4.56 -0.49 0.00 -0.01 0.00 0.00 64.34 59.32 1qtt n VAL 34 Cb 0.48 -2.42 -0.07 0.00 -0.91 0.00 0.00 33.84 30.92 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 4.15 0.18 -3.88 2.52 3.14 -1.26 -3.27 118.33 119.90 1qtt n VAL 35 Ca 0.39 -0.30 -0.30 0.00 -2.96 0.00 0.00 64.34 61.16 1qtt n VAL 35 Cb 0.40 -1.77 -0.14 0.00 -1.06 0.00 0.00 33.84 31.27 1qtt n VAL 35 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1qtt s GLU 36 N 6.44 1.62 -0.36 1.45 -1.05 0.19 -5.00 118.70 122.00 1qtt s GLU 36 Ca 1.09 -2.23 -0.37 0.00 -0.15 0.00 0.00 54.97 53.31 1qtt s GLU 36 Cb -0.77 -2.95 -0.13 0.00 -0.44 0.00 0.00 34.13 29.83 1qtt s GLU 36 CO 0.46 -1.09 2.11 0.39 0.95 0.00 0.00 175.26 178.09 1qtt n GLU 37 N 3.54 0.91 -1.07 -4.83 1.02 -1.26 -3.60 120.64 115.35 1qtt n GLU 37 Ca 0.05 0.27 -0.31 0.00 -0.02 0.00 0.00 57.16 57.15 1qtt n GLU 37 Cb 0.35 -2.24 0.12 0.00 -0.02 0.00 0.00 31.44 29.65 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 5.76 1.81 0.52 3.49 2.02 0.10 -4.85 118.70 127.55 1qtt s GLU 38 Ca 1.10 1.28 0.35 0.00 0.02 0.00 0.00 54.97 57.72 1qtt s GLU 38 Cb -1.00 -1.84 1.49 0.00 0.10 0.00 0.00 34.13 32.88 1qtt s GLU 38 CO 0.55 -1.99 1.77 1.15 0.02 0.00 0.00 175.26 176.75 1qtt h THR 39 N -1.39 0.38 -0.04 3.63 2.02 -2.04 -2.96 112.91 112.51 1qtt h THR 39 Ca -0.44 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 66.55 1qtt h THR 39 Cb 1.24 0.31 -0.17 0.00 -1.74 0.00 0.00 68.15 67.79 1qtt h THR 39 CO 0.48 0.01 -0.35 -1.20 0.37 0.00 0.00 175.52 174.83 1qtt n SER 40 N -4.26 -1.16 -1.83 4.18 7.64 -1.26 -5.13 113.62 111.80 1qtt n SER 40 Ca 0.28 -2.19 -0.04 0.00 1.01 0.00 0.00 58.87 57.92 1qtt n SER 40 Cb 1.26 0.56 0.01 0.00 -1.01 0.00 0.00 64.21 65.04 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qtt n PHE 41 N -1.43 -1.56 -3.82 1.43 3.72 -1.12 -5.07 117.46 109.62 1qtt n PHE 41 Ca -0.16 -0.82 -0.30 0.00 -0.05 0.00 0.00 57.45 56.12 1qtt n PHE 41 Cb 0.87 0.41 -0.15 0.00 -0.94 0.00 0.00 39.48 39.67 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 2.74 -0.18 4.37 2.01 -1.24 -0.72 118.68 125.65 1qtt s LEU 42 Ca 0.08 -1.64 -0.04 0.00 0.01 0.00 0.00 54.13 52.54 1qtt s LEU 42 Cb -0.02 -1.04 -0.02 0.00 0.01 0.00 0.00 46.19 45.11 1qtt s LEU 42 CO 0.05 -0.38 -0.04 -0.60 1.01 0.00 0.00 176.35 176.39 1qtt s ARG 43 N 1.46 3.52 -0.52 1.70 3.52 -1.24 -0.35 118.95 127.05 1qtt s ARG 43 Ca 0.07 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1qtt s ARG 43 Cb -0.18 -2.95 0.13 0.00 -1.56 0.00 0.00 34.95 30.40 1qtt s ARG 43 CO -0.18 0.04 0.28 0.00 -0.81 0.00 0.00 175.30 174.63 1qtt s ALA 44 N 0.88 3.32 -0.37 6.12 0.00 0.13 -0.63 121.76 131.21 1qtt s ALA 44 Ca -0.01 -3.11 -0.28 0.00 0.00 0.00 0.00 51.96 48.56 1qtt s ALA 44 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1qtt s ALA 44 CO 0.01 -1.98 1.66 0.50 0.00 0.00 0.00 175.76 175.96 1qtt s ARG 45 N 0.06 3.40 -0.37 0.00 3.52 -1.20 -2.39 118.95 121.97 1qtt s ARG 45 Ca 0.15 1.23 -0.16 0.00 -0.13 0.00 0.00 55.73 56.82 1qtt s ARG 45 Cb -0.23 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 1qtt s ARG 45 CO -0.03 -1.78 0.41 0.08 -0.81 0.00 0.00 175.30 173.18 1qtt s VAL 46 N 6.43 5.12 -0.12 7.11 1.01 0.77 0.22 120.40 140.93 1qtt s VAL 46 Ca 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1qtt s VAL 46 Cb -0.19 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1qtt s VAL 46 CO 0.33 -0.23 -0.04 -1.58 0.00 0.00 0.00 175.10 173.58 1qtt s GLN 47 N 2.12 3.36 -0.19 2.72 0.74 0.17 0.26 119.66 128.83 1qtt s GLN 47 Ca 0.13 -0.51 -0.19 0.00 0.05 0.00 0.00 55.36 54.84 1qtt s GLN 47 Cb -0.17 -2.82 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 1qtt s GLN 47 CO 0.13 0.41 0.55 -1.14 -0.55 0.00 0.00 175.29 174.69 1qtt s GLN 48 N -0.10 4.21 0.24 1.67 2.00 0.43 0.34 119.66 128.46 1qtt s GLN 48 Ca 0.02 0.49 -0.18 0.00 -2.00 0.00 0.00 55.36 53.69 1qtt s GLN 48 Cb -0.13 -3.56 0.02 0.00 0.80 0.00 0.00 33.01 30.14 1qtt s GLN 48 CO 0.03 -0.15 0.59 0.96 -0.50 0.00 0.00 175.29 176.21 1qtt s ILE 49 N 1.64 0.01 -0.40 -2.34 -0.00 -1.12 -3.75 121.20 115.23 1qtt s ILE 49 Ca 0.26 -1.03 -0.20 0.00 -0.00 0.00 0.00 60.65 59.68 1qtt s ILE 49 Cb -0.16 -1.91 0.01 0.00 -0.00 0.00 0.00 42.46 40.41 1qtt s ILE 49 CO 0.10 -0.03 0.63 0.00 -0.00 0.00 0.00 174.94 175.64 1qtt s GLN 50 N -3.93 3.45 -0.17 0.37 0.00 -1.26 -4.22 119.66 113.89 1qtt s GLN 50 Ca 0.14 -0.20 -0.12 0.00 -0.00 0.00 0.00 55.36 55.17 1qtt s GLN 50 Cb -0.03 -3.89 0.05 0.00 0.00 0.00 0.00 33.01 29.14 1qtt s GLN 50 CO 0.04 -0.89 0.44 0.54 0.00 0.00 0.00 175.29 175.42 1qtt s VAL 51 N 2.75 -0.01 0.19 3.63 0.11 -1.26 -5.13 120.40 120.67 1qtt s VAL 51 Ca 0.23 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1qtt s VAL 51 Cb -0.14 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1qtt s VAL 51 CO 0.17 0.02 1.11 -2.16 -3.33 0.00 0.00 175.10 170.92 1qtt s PRO 52 N 0.99 4.58 -0.46 1.54 0.04 -1.26 -4.86 135.00 135.57 1qtt s PRO 52 Ca -0.06 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1qtt s PRO 52 Cb -0.06 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1qtt s PRO 52 CO -0.08 0.06 1.05 -0.51 0.04 0.00 0.00 177.00 177.56 1qtt s LEU 53 N -0.46 3.80 0.00 -3.56 1.43 -1.26 -4.97 118.68 113.67 1qtt s LEU 53 Ca 0.49 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1qtt s LEU 53 Cb -0.30 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1qtt s LEU 53 CO 0.36 -1.14 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1qtt n GLY 54 N 4.79 1.22 3.92 -3.19 0.00 -1.26 -4.98 105.19 105.69 1qtt n GLY 54 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.18 4.91 -0.34 1.61 -1.08 -1.26 -5.04 116.67 114.28 1qtt s ASP 55 Ca 0.00 0.63 0.15 0.00 -0.52 0.00 0.00 52.55 52.82 1qtt s ASP 55 Cb 0.00 -1.31 0.41 0.00 -1.46 0.00 0.00 42.92 40.56 1qtt s ASP 55 CO 0.00 -1.58 0.87 0.00 0.52 0.00 0.00 175.17 174.98 1qtt n ALA 56 N -2.98 2.72 -1.47 3.66 0.00 -1.26 -4.46 120.51 116.72 1qtt n ALA 56 Ca 0.07 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1qtt n ALA 56 Cb 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.08 0.00 -3.17 0.00 0.00 -1.26 -5.03 120.51 111.13 1qtt n ALA 57 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1qtt n ALA 57 Cb 0.75 0.00 -0.05 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 1.43 0.00 0.00 1.74 -1.26 -4.94 116.66 113.63 1qtt n ARG 58 Ca 0.00 -3.71 0.00 0.00 -0.77 0.00 0.00 57.85 53.37 1qtt n ARG 58 Cb 0.00 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.52 0.00 -0.61 5.56 -0.04 -1.26 -2.28 135.00 136.89 1qtt n PRO 59 Ca 0.25 0.00 0.49 0.00 -0.04 0.00 0.00 63.50 64.20 1qtt n PRO 59 Cb 0.56 -0.26 0.80 0.00 -0.04 0.00 0.00 33.50 34.56 1qtt n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qtt h SER 60 N 0.00 0.00 -0.16 3.54 0.87 -1.92 2.38 113.55 118.26 1qtt h SER 60 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qtt h SER 60 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1qtt h SER 60 CO 0.00 0.00 0.06 0.45 -0.53 0.00 0.00 176.83 176.81 1qtt h HIS 61 N 0.00 0.25 0.00 2.24 3.86 -1.93 1.46 115.15 121.04 1qtt h HIS 61 Ca 0.84 -0.02 -0.24 0.00 -1.16 0.00 0.00 60.37 59.79 1qtt h HIS 61 Cb 3.41 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 31.77 1qtt h HIS 61 CO 0.00 0.33 -1.38 1.25 0.86 0.00 0.00 177.93 179.00 1qtt h LEU 62 N 0.09 0.00 0.04 2.43 5.85 0.28 -2.61 115.31 121.39 1qtt h LEU 62 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1qtt h LEU 62 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1qtt h LEU 62 CO -0.00 0.93 -0.02 0.25 -0.34 0.00 0.00 178.44 179.26 1qtt h LEU 63 N 0.00 -0.05 0.02 2.25 6.46 0.33 -3.42 115.31 120.90 1qtt h LEU 63 Ca -0.17 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1qtt h LEU 63 Cb 1.86 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 1qtt h LEU 63 CO 0.09 0.02 -0.01 0.74 -0.62 0.00 0.00 178.44 178.67 1qtt h THR 64 N -0.17 0.00 -1.57 1.05 2.02 0.16 -3.49 112.91 110.91 1qtt h THR 64 Ca -0.01 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1qtt h THR 64 Cb 0.04 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1qtt h THR 64 CO 0.01 0.00 -0.13 -1.54 0.37 0.00 0.00 175.52 174.23 1qtt n SER 65 N -2.24 -2.64 0.04 4.18 3.41 0.11 -4.95 113.62 111.52 1qtt n SER 65 Ca -0.00 -0.08 -0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1qtt n SER 65 Cb 0.01 -1.44 -0.00 0.00 -0.26 0.00 0.00 64.21 62.51 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 -1.44 0.01 -2.11 4.33 6.02 -1.26 -5.05 117.38 117.89 1qtt n GLN 66 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.59 1qtt n GLN 66 Cb 0.52 -0.52 -0.01 0.00 1.02 0.00 0.00 30.24 31.26 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 -6.79 4.20 0.88 1.08 1.02 -1.26 -5.01 118.68 112.80 1qtt s LEU 67 Ca -0.01 2.58 -0.12 0.00 0.02 0.00 0.00 54.13 56.60 1qtt s LEU 67 Cb 0.00 -3.94 0.12 0.00 0.02 0.00 0.00 46.19 42.38 1qtt s LEU 67 CO 0.01 -0.82 1.12 -2.16 0.02 0.00 0.00 176.35 174.52 1qtt s PRO 68 N -2.27 1.44 0.39 1.29 0.04 -1.26 -4.95 135.00 129.69 1qtt s PRO 68 Ca 0.57 0.40 0.21 0.00 0.04 0.00 0.00 61.00 62.22 1qtt s PRO 68 Cb -0.36 -1.86 0.66 0.00 0.04 0.00 0.00 34.50 32.97 1qtt s PRO 68 CO 0.46 -2.02 1.71 1.25 0.04 0.00 0.00 177.00 178.45 1qtt h LEU 69 N -1.37 0.00 -7.12 -3.56 7.12 -1.94 -3.44 115.31 104.99 1qtt h LEU 69 Ca -0.49 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.44 1qtt h LEU 69 Cb 1.31 0.00 -0.22 0.00 -0.53 0.00 0.00 40.66 41.22 1qtt h LEU 69 CO 0.61 0.30 -0.01 -0.32 -0.13 0.00 0.00 178.44 178.89 1qtt s MET 70 N -3.46 0.72 0.17 1.25 1.75 -1.26 -2.31 119.30 116.15 1qtt s MET 70 Ca 0.02 0.79 0.05 0.00 -1.25 0.00 0.00 55.69 55.30 1qtt s MET 70 Cb 0.09 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 1qtt s MET 70 CO 0.67 -0.10 0.15 -1.58 -0.65 0.00 0.00 175.02 173.51 1qtt s TRP 71 N 0.22 3.17 -0.34 4.11 0.51 -0.86 -3.47 118.94 122.28 1qtt s TRP 71 Ca -0.01 -0.01 -0.00 0.00 -2.12 0.00 0.00 56.10 53.96 1qtt s TRP 71 Cb -0.04 -1.52 0.12 0.00 -0.81 0.00 0.00 33.47 31.22 1qtt s TRP 71 CO 0.01 0.52 0.16 -1.14 -0.51 0.00 0.00 176.95 175.99 1qtt s GLN 72 N -3.13 0.74 -0.31 4.98 2.00 0.19 -2.76 119.66 121.37 1qtt s GLN 72 Ca 0.31 -1.25 -0.44 0.00 -2.00 0.00 0.00 55.36 51.98 1qtt s GLN 72 Cb -0.10 -1.82 -0.19 0.00 0.80 0.00 0.00 33.01 31.70 1qtt s GLN 72 CO 0.24 -1.07 1.48 -0.11 -0.50 0.00 0.00 175.29 175.32 1qtt n LEU 73 N 4.46 1.15 -4.61 3.68 7.94 0.20 -0.10 117.00 129.71 1qtt n LEU 73 Ca 0.02 1.16 -0.28 0.00 -1.11 0.00 0.00 56.01 55.80 1qtt n LEU 73 Cb 0.39 -0.95 -0.09 0.00 0.53 0.00 0.00 43.42 43.30 1qtt n LEU 73 CO 0.14 -1.04 -0.24 -0.47 -1.11 0.00 0.00 177.39 174.66 1qtt s TYR 74 N 2.21 1.96 1.08 1.96 5.04 0.12 -4.77 117.35 124.94 1qtt s TYR 74 Ca 0.99 -1.02 -0.18 0.00 -2.44 0.00 0.00 57.07 54.43 1qtt s TYR 74 Cb -1.34 -1.44 0.24 0.00 0.35 0.00 0.00 41.96 39.78 1qtt s TYR 74 CO 0.71 0.06 1.22 -1.25 -1.34 0.00 0.00 175.55 174.94 1qtt s PRO 75 N -3.80 -0.27 -1.34 4.97 0.04 -1.26 -3.34 135.00 129.99 1qtt s PRO 75 Ca 0.21 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1qtt s PRO 75 Cb 0.04 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1qtt s PRO 75 CO 0.11 -3.05 0.00 0.39 0.04 0.00 0.00 177.00 174.49 1qtt n GLU 76 N -4.26 -0.94 -3.48 4.56 1.02 -1.26 -2.71 120.64 113.58 1qtt n GLU 76 Ca 0.14 0.94 -0.18 0.00 -0.02 0.00 0.00 57.16 58.04 1qtt n GLU 76 Cb 0.59 -4.99 0.08 0.00 -0.02 0.00 0.00 31.44 27.10 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 -2.50 -5.86 -3.94 3.49 2.13 -1.26 -4.88 120.64 107.83 1qtt n GLU 77 Ca -0.13 0.80 -0.09 0.00 0.66 0.00 0.00 57.16 58.41 1qtt n GLU 77 Cb 0.43 -5.70 -0.09 0.00 0.27 0.00 0.00 31.44 26.35 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 -5.42 0.69 -0.15 5.31 0.52 -1.10 -1.37 118.95 117.43 1qtt s ARG 78 Ca 0.04 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1qtt s ARG 78 Cb -0.01 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.71 1qtt s ARG 78 CO 0.75 -0.18 -0.08 0.71 0.02 0.00 0.00 175.30 176.52 1qtt s TYR 79 N -3.35 2.92 -0.28 -0.53 1.51 0.47 0.13 117.35 118.21 1qtt s TYR 79 Ca 0.01 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.45 1qtt s TYR 79 Cb 0.03 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1qtt s TYR 79 CO -0.08 -0.17 0.17 1.41 -1.11 0.00 0.00 175.55 175.77 1qtt s MET 80 N 0.47 3.82 0.68 -0.62 -2.45 0.85 0.14 119.30 122.19 1qtt s MET 80 Ca -0.06 -0.40 0.00 0.00 -1.25 0.00 0.00 55.69 53.98 1qtt s MET 80 Cb -0.15 -3.60 0.10 0.00 1.25 0.00 0.00 34.83 32.43 1qtt s MET 80 CO 0.04 -0.22 0.94 0.16 1.05 0.00 0.00 175.02 176.99 1qtt s ASP 81 N 1.72 4.58 0.00 1.11 3.84 -0.66 0.54 116.67 127.81 1qtt s ASP 81 Ca 0.07 -0.31 0.24 0.00 -0.00 0.00 0.00 52.55 52.55 1qtt s ASP 81 Cb -0.16 -0.19 0.44 0.00 -1.38 0.00 0.00 42.92 41.63 1qtt s ASP 81 CO 0.09 -1.68 1.40 -3.20 -0.00 0.00 0.00 175.17 171.78 1qtt n ASN 82 N -2.70 2.84 0.00 2.11 2.85 -1.23 -3.94 115.26 115.20 1qtt n ASN 82 Ca 0.13 -1.91 0.15 0.00 -0.11 0.00 0.00 54.58 52.85 1qtt n ASN 82 Cb 0.60 -0.10 0.85 0.00 1.24 0.00 0.00 39.78 42.37 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 1.15 0.00 -0.22 1.20 2.85 -1.26 -4.85 115.26 114.13 1qtt n ASN 83 Ca 0.17 -0.65 0.00 0.00 -0.11 0.00 0.00 54.58 53.99 1qtt n ASN 83 Cb 0.54 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.46 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 -1.11 -1.16 -3.98 1.20 2.88 -1.25 -5.08 113.62 105.12 1qtt n SER 84 Ca 0.20 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.65 1qtt n SER 84 Cb 0.15 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.17 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 -3.42 0.89 -0.17 -1.46 1.81 -1.26 -5.06 118.95 110.27 1qtt s ARG 85 Ca 0.00 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 1qtt s ARG 85 Cb 0.00 0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.84 1qtt s ARG 85 CO 0.00 -0.27 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.08 1qtt s LEU 86 N -2.93 1.92 0.07 2.53 0.20 -1.26 -1.65 118.68 117.55 1qtt s LEU 86 Ca 0.12 -0.71 -0.19 0.00 0.69 0.00 0.00 54.13 54.04 1qtt s LEU 86 Cb 0.06 -1.12 -0.07 0.00 -0.43 0.00 0.00 46.19 44.63 1qtt s LEU 86 CO -0.06 -0.13 0.56 0.26 -0.29 0.00 0.00 176.35 176.68 1qtt s TRP 87 N 1.49 3.79 -0.17 5.38 0.52 0.36 -4.24 118.94 126.08 1qtt s TRP 87 Ca 0.01 1.24 -0.14 0.00 0.02 0.00 0.00 56.10 57.23 1qtt s TRP 87 Cb -0.15 -2.48 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 1qtt s TRP 87 CO -0.09 0.59 0.30 -1.14 0.02 0.00 0.00 176.95 176.63 1qtt s GLN 88 N -1.15 4.24 -0.91 4.98 0.74 1.06 0.18 119.66 128.79 1qtt s GLN 88 Ca 0.29 0.09 -0.24 0.00 0.05 0.00 0.00 55.36 55.54 1qtt s GLN 88 Cb -0.19 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.46 1qtt s GLN 88 CO 0.19 0.19 1.77 0.42 -0.55 0.00 0.00 175.29 177.31 1qtt s ILE 89 N 0.62 3.59 0.26 -2.34 -1.09 -0.47 0.88 121.20 122.65 1qtt s ILE 89 Ca 0.16 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1qtt s ILE 89 Cb -0.13 -4.34 0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1qtt s ILE 89 CO 0.04 -1.27 1.79 1.56 -1.23 0.00 0.00 174.94 175.83 1qtt h GLN 90 N 11.04 0.71 -1.49 2.79 1.08 -1.35 -3.45 115.11 124.44 1qtt h GLN 90 Ca 0.09 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.36 1qtt h GLN 90 Cb 1.02 -0.16 -0.23 0.00 -0.05 0.00 0.00 27.48 28.05 1qtt h GLN 90 CO 1.28 0.47 0.62 -3.38 -0.95 0.00 0.00 178.83 176.86 1qtt s HIS 91 N -5.98 -0.31 -0.18 2.96 -3.43 -1.24 -4.99 115.29 102.12 1qtt s HIS 91 Ca -0.12 0.52 -0.04 0.00 -0.80 0.00 0.00 55.06 54.62 1qtt s HIS 91 Cb 0.21 0.46 0.09 0.00 -1.43 0.00 0.00 32.58 31.91 1qtt s HIS 91 CO 0.78 -0.29 0.29 -1.58 -2.00 0.00 0.00 174.74 171.94 1qtt s HIS 92 N -1.16 -0.51 0.11 0.38 2.46 -1.26 0.19 115.29 115.49 1qtt s HIS 92 Ca 0.00 0.80 -0.02 0.00 0.47 0.00 0.00 55.06 56.31 1qtt s HIS 92 Cb -0.01 -0.08 0.01 0.00 -0.13 0.00 0.00 32.58 32.38 1qtt s HIS 92 CO -0.00 -0.52 0.18 1.47 -2.47 0.00 0.00 174.74 173.40 1qtt n LEU 93 N 5.35 0.00 -3.69 8.88 -0.00 -1.17 -4.94 117.00 121.43 1qtt n LEU 93 Ca -0.06 -0.83 -0.18 0.00 -0.00 0.00 0.00 56.01 54.94 1qtt n LEU 93 Cb 0.50 0.89 -0.17 0.00 -0.00 0.00 0.00 43.42 44.64 1qtt n LEU 93 CO 0.05 -0.22 -0.32 -0.32 -0.00 0.00 0.00 177.39 176.58 1qtt s MET 94 N -2.17 -0.04 0.02 1.47 1.75 -1.26 -1.14 119.30 117.93 1qtt s MET 94 Ca 0.07 0.38 0.06 0.00 -1.25 0.00 0.00 55.69 54.95 1qtt s MET 94 Cb -0.01 -0.40 -0.02 0.00 2.84 0.00 0.00 34.83 37.24 1qtt s MET 94 CO 0.05 -0.29 -0.18 0.08 -0.65 0.00 0.00 175.02 174.04 1qtt s VAL 95 N 1.95 1.40 -1.25 10.11 1.01 0.26 -4.72 120.40 129.16 1qtt s VAL 95 Ca 0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1qtt s VAL 95 Cb -0.12 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.11 1qtt s VAL 95 CO -0.04 0.22 0.43 0.54 0.00 0.00 0.00 175.10 176.25 1qtt n ARG 96 N 2.16 -3.30 -1.68 2.72 5.12 -1.26 0.16 116.66 120.58 1qtt n ARG 96 Ca -0.16 0.49 -0.11 0.00 -1.93 0.00 0.00 57.85 56.13 1qtt n ARG 96 Cb 0.54 -5.19 -0.03 0.00 -1.16 0.00 0.00 32.46 26.62 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 -1.13 0.72 3.09 -0.13 0.00 -1.26 -5.00 105.19 101.48 1qtt n GLY 97 Ca -0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.48 1.61 -0.30 1.61 1.01 0.43 -4.97 120.40 117.31 1qtt s VAL 98 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1qtt s VAL 98 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1qtt s VAL 98 CO 0.00 0.46 0.58 -1.10 0.00 0.00 0.00 175.10 175.05 1qtt s GLN 99 N 0.86 3.92 -0.38 2.72 -0.21 -1.25 0.89 119.66 126.21 1qtt s GLN 99 Ca -0.09 0.26 -0.05 0.00 0.02 0.00 0.00 55.36 55.50 1qtt s GLN 99 Cb -0.15 -3.72 0.08 0.00 1.00 0.00 0.00 33.01 30.22 1qtt s GLN 99 CO 0.00 -0.52 0.16 -2.00 -2.12 0.00 0.00 175.29 170.81 1qtt s GLU 100 N 2.50 2.32 -0.23 2.91 2.12 -0.29 0.16 118.70 128.19 1qtt s GLU 100 Ca 0.23 -1.53 -0.09 0.00 0.36 0.00 0.00 54.97 53.95 1qtt s GLU 100 Cb -0.15 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1qtt s GLU 100 CO 0.11 -0.89 0.11 -1.17 -0.54 0.00 0.00 175.26 172.89 1qtt s LEU 101 N 1.27 3.87 -0.21 2.70 0.20 0.71 -3.04 118.68 124.18 1qtt s LEU 101 Ca 0.03 0.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.77 1qtt s LEU 101 Cb -0.22 -2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 1qtt s LEU 101 CO -0.01 0.06 0.13 -0.76 -0.29 0.00 0.00 176.35 175.48 1qtt s LEU 102 N 1.06 4.10 -0.09 -0.68 1.43 0.13 0.27 118.68 124.89 1qtt s LEU 102 Ca 0.06 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1qtt s LEU 102 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1qtt s LEU 102 CO 0.04 0.14 -0.21 -0.76 0.23 0.00 0.00 176.35 175.78 1qtt s LEU 103 N 0.61 2.26 -0.13 1.79 1.43 -1.00 -0.99 118.68 122.65 1qtt s LEU 103 Ca 0.07 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1qtt s LEU 103 Cb -0.12 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1qtt s LEU 103 CO 0.01 0.19 -0.22 -0.75 0.23 0.00 0.00 176.35 175.80 1qtt s LYS 104 N 0.15 3.02 -0.31 1.70 2.47 0.25 0.19 119.74 127.22 1qtt s LYS 104 Ca -0.12 -0.86 -0.08 0.00 -1.56 0.00 0.00 55.97 53.35 1qtt s LYS 104 Cb -0.16 -2.40 0.01 0.00 -1.46 0.00 0.00 37.83 33.82 1qtt s LYS 104 CO 0.06 0.03 0.12 -1.17 0.16 0.00 0.00 175.35 174.56 1qtt s LEU 105 N 0.69 4.06 0.31 5.43 2.96 0.53 0.34 118.68 133.01 1qtt s LEU 105 Ca -0.10 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1qtt s LEU 105 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1qtt s LEU 105 CO 0.01 -0.22 0.56 -0.76 -1.32 0.00 0.00 176.35 174.62 1qtt s LEU 106 N 1.54 4.03 0.21 -0.68 1.02 -1.26 -3.70 118.68 119.84 1qtt s LEU 106 Ca 0.03 0.64 -0.30 0.00 0.02 0.00 0.00 54.13 54.53 1qtt s LEU 106 Cb -0.17 -3.48 -0.08 0.00 0.02 0.00 0.00 46.19 42.47 1qtt s LEU 106 CO 0.04 -0.24 1.10 -2.16 0.02 0.00 0.00 176.35 175.12 1qtt s PRO 107 N -3.81 4.61 -0.70 1.29 0.04 -1.26 -4.86 135.00 130.31 1qtt s PRO 107 Ca 0.43 1.75 -0.37 0.00 0.04 0.00 0.00 61.00 62.84 1qtt s PRO 107 Cb -0.10 -3.25 -0.19 0.00 0.04 0.00 0.00 34.50 31.00 1qtt s PRO 107 CO 0.32 0.12 2.39 -3.47 0.04 0.00 0.00 177.00 176.40 1qtt n ASP 108 N 1.99 0.72 -3.88 6.66 2.03 -1.26 -4.86 116.55 117.94 1qtt n ASP 108 Ca 0.01 0.41 -0.11 0.00 0.52 0.00 0.00 54.79 55.62 1qtt n ASP 108 Cb 0.46 -0.96 -0.12 0.00 -0.72 0.00 0.00 41.12 39.77 1qtt n ASP 108 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1qtt s ASP 109 N 7.58 0.02 0.05 1.67 1.11 -1.26 -5.16 116.67 120.68 1qtt s ASP 109 Ca 1.25 -0.08 0.01 0.00 0.18 0.00 0.00 52.55 53.92 1qtt s ASP 109 Cb -1.30 0.15 -0.03 0.00 1.07 0.00 0.00 42.92 42.81 1qtt s ASP 109 CO 0.56 -0.16 -0.06 0.00 1.18 0.00 0.00 175.17 176.69 1qtt s ARG 110 N -0.60 0.57 -0.38 8.23 1.70 -1.26 -5.12 118.95 122.09 1qtt s ARG 110 Ca -0.07 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.28 1qtt s ARG 110 Cb -0.04 -0.14 0.19 0.00 -0.57 0.00 0.00 34.95 34.38 1qtt s ARG 110 CO 0.00 -0.00 0.83 -1.54 -1.08 0.00 0.00 175.30 173.50 1qtt s SER 111 N -2.05 -1.00 0.18 -2.89 1.04 -1.26 -5.15 113.70 102.58 1qtt s SER 111 Ca -0.04 -0.62 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 1qtt s SER 111 Cb -0.04 1.28 -0.08 0.00 0.10 0.00 0.00 66.02 67.28 1qtt s SER 111 CO -0.02 -0.10 1.12 -2.16 0.98 0.00 0.00 173.24 173.06 1qtt s PRO 112 N 1.74 4.57 0.00 4.02 0.04 -1.26 -5.04 135.00 139.07 1qtt s PRO 112 Ca 0.17 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1qtt s PRO 112 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1qtt s PRO 112 CO -0.10 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1qtt n GLY 113 N 2.04 4.45 3.55 0.56 0.00 -1.26 -5.09 105.19 109.44 1qtt n GLY 113 Ca 0.03 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 1.04 5.14 -0.30 -0.61 1.10 -1.26 -5.04 121.20 121.27 1qtt s ILE 114 Ca 0.00 0.11 -0.01 0.00 -0.51 0.00 0.00 60.65 60.24 1qtt s ILE 114 Cb 0.00 -3.85 0.05 0.00 0.15 0.00 0.00 42.46 38.81 1qtt s ILE 114 CO 0.00 -0.11 0.00 -1.38 -2.11 0.00 0.00 174.94 171.34 1qtt s HIS 115 N 2.09 3.29 -0.02 3.50 -3.43 -1.26 -5.08 115.29 114.38 1qtt s HIS 115 Ca 0.13 -1.95 0.01 0.00 -0.80 0.00 0.00 55.06 52.45 1qtt s HIS 115 Cb -0.16 -2.16 0.01 0.00 -1.43 0.00 0.00 32.58 28.84 1qtt s HIS 115 CO 0.12 -0.82 -0.03 0.50 -2.00 0.00 0.00 174.74 172.51 1qtt s ARG 116 N 1.23 0.43 0.00 -0.38 3.52 -1.26 -5.34 118.95 117.15 1qtt s ARG 116 Ca -0.05 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1qtt s ARG 116 Cb -0.20 -0.48 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 1qtt s ARG 116 CO -0.02 -0.00 0.10 -3.47 -0.81 0.00 0.00 175.30 171.10