#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttt n LYS 2 N 0.00 0.00 -0.46 0.00 4.76 -1.23 -4.94 118.16 116.29 1ttt n LYS 2 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1ttt n LYS 2 Cb 0.00 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.44 1ttt n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ttt n GLY 3 N 3.41 -2.58 0.07 0.72 0.00 -1.26 -4.77 105.19 100.77 1ttt n GLY 3 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.85 1ttt n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ttt n GLU 4 N -4.43 1.73 -2.19 1.61 0.00 -1.26 -1.75 120.64 114.36 1ttt n GLU 4 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 57.16 55.58 1ttt n GLU 4 Cb 0.56 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 30.98 1ttt n GLU 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ttt n PHE 5 N -0.65 -2.91 -3.81 4.31 -0.00 -1.21 -4.59 117.46 108.60 1ttt n PHE 5 Ca 0.05 1.73 -0.36 0.00 -0.00 0.00 0.00 57.45 58.87 1ttt n PHE 5 Cb 0.45 -2.67 -0.13 0.00 -0.00 0.00 0.00 39.48 37.13 1ttt n PHE 5 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ttt s ILE 6 N -0.36 4.16 0.00 -2.13 -1.09 -1.26 -4.95 121.20 115.58 1ttt s ILE 6 Ca 0.00 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1ttt s ILE 6 Cb 0.00 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1ttt s ILE 6 CO 0.00 0.36 1.00 0.54 -1.23 0.00 0.00 174.94 175.61 1ttt n ARG 7 N 4.80 0.42 0.26 2.79 1.74 -1.26 -4.38 116.66 121.04 1ttt n ARG 7 Ca -0.17 -0.16 0.09 0.00 -0.77 0.00 0.00 57.85 56.85 1ttt n ARG 7 Cb 0.51 -1.53 0.68 0.00 -1.02 0.00 0.00 32.46 31.11 1ttt n ARG 7 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1ttt h THR 8 N 2.34 0.90 -3.33 0.55 1.35 -2.04 -3.44 112.91 109.25 1ttt h THR 8 Ca 0.03 -0.13 -0.43 0.00 -0.55 0.00 0.00 66.41 65.33 1ttt h THR 8 Cb 0.34 1.08 -0.14 0.00 -1.73 0.00 0.00 68.15 67.70 1ttt h THR 8 CO 0.26 0.04 -0.59 -0.54 -0.25 0.00 0.00 175.52 174.43 1ttt s LYS 9 N -4.86 1.58 0.66 4.72 1.02 -1.26 -5.11 119.74 116.49 1ttt s LYS 9 Ca -0.05 -1.89 -0.14 0.00 0.02 0.00 0.00 55.97 53.91 1ttt s LYS 9 Cb 0.16 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1ttt s LYS 9 CO 0.64 -0.30 1.09 -2.14 -0.92 0.00 0.00 175.35 173.73 1ttt s PRO 10 N -3.92 2.85 -0.05 -1.68 0.02 -1.26 -4.72 135.00 126.25 1ttt s PRO 10 Ca 0.35 1.28 0.05 0.00 0.02 0.00 0.00 61.00 62.70 1ttt s PRO 10 Cb 0.07 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 1ttt s PRO 10 CO 0.15 -1.19 -0.20 -1.58 -0.33 0.00 0.00 177.00 173.84 1ttt s HIS 11 N -2.50 2.54 0.02 6.54 2.46 -1.26 -0.50 115.29 122.59 1ttt s HIS 11 Ca 0.65 -0.45 0.02 0.00 0.47 0.00 0.00 55.06 55.74 1ttt s HIS 11 Cb -0.18 -1.61 -0.01 0.00 -0.13 0.00 0.00 32.58 30.64 1ttt s HIS 11 CO 0.44 -0.04 -0.06 0.08 -2.47 0.00 0.00 174.74 172.69 1ttt s VAL 12 N -0.41 0.40 -0.30 0.89 1.01 0.19 -4.91 120.40 117.26 1ttt s VAL 12 Ca 0.04 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1ttt s VAL 12 Cb -0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1ttt s VAL 12 CO 0.02 -0.15 0.13 0.20 0.00 0.00 0.00 175.10 175.30 1ttt s ASN 13 N -0.82 5.44 0.23 3.32 0.01 -1.26 -1.61 114.94 120.24 1ttt s ASN 13 Ca -0.05 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1ttt s ASN 13 Cb -0.06 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.59 1ttt s ASN 13 CO -0.00 -0.19 0.11 0.68 -1.51 0.00 0.00 177.10 176.19 1ttt s VAL 14 N 1.59 0.30 0.13 1.60 -7.23 -0.48 0.19 120.40 116.50 1ttt s VAL 14 Ca 0.04 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1ttt s VAL 14 Cb -0.17 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.31 1ttt s VAL 14 CO 0.05 -0.03 1.10 -0.83 -0.31 0.00 0.00 175.10 175.08 1ttt s GLY 15 N -3.23 -0.01 -0.17 2.32 0.00 -1.18 -0.99 107.32 104.06 1ttt s GLY 15 Ca 0.37 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.87 1ttt s GLY 15 CO 0.12 2.62 0.11 -0.51 0.00 0.00 0.00 173.10 175.45 1ttt s THR 16 N -2.27 5.23 0.16 0.90 -4.23 -0.92 0.90 115.64 115.42 1ttt s THR 16 Ca 0.22 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 1ttt s THR 16 Cb -0.02 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1ttt s THR 16 CO 0.03 0.50 0.26 0.27 -0.54 0.00 0.00 174.62 175.13 1ttt s ILE 17 N -0.03 0.07 0.00 2.99 -4.36 -0.26 -2.97 121.20 116.64 1ttt s ILE 17 Ca 0.09 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1ttt s ILE 17 Cb -0.12 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1ttt s ILE 17 CO 0.00 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.49 1ttt n GLY 18 N -0.21 3.13 1.97 6.27 0.00 -1.26 0.49 105.19 115.58 1ttt n GLY 18 Ca -0.07 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 1ttt n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ttt n HIS 19 N -1.36 -2.15 -1.95 1.61 -0.00 -1.26 -4.47 115.22 105.63 1ttt n HIS 19 Ca 0.00 0.21 -0.41 0.00 0.46 0.00 0.00 57.72 57.98 1ttt n HIS 19 Cb 0.00 -1.00 -0.01 0.00 -0.12 0.00 0.00 29.99 28.86 1ttt n HIS 19 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1ttt s VAL 20 N -1.23 2.37 0.00 3.57 0.11 -1.04 -2.92 120.40 121.26 1ttt s VAL 20 Ca 0.33 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1ttt s VAL 20 Cb -0.26 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1ttt s VAL 20 CO 0.43 0.08 0.00 -0.67 -3.33 0.00 0.00 175.10 171.62 1ttt n ASP 21 N 0.51 0.00 0.00 3.54 2.03 -1.26 -4.86 116.55 116.51 1ttt n ASP 21 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1ttt n ASP 21 Cb 0.41 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1ttt n ASP 21 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ttt n HIS 22 N -1.93 0.00 -0.06 -0.67 8.25 -1.15 -4.71 115.22 114.96 1ttt n HIS 22 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ttt n HIS 22 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1ttt n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ttt n GLY 23 N -0.94 0.97 0.23 -1.41 0.00 -1.26 -4.39 105.19 98.37 1ttt n GLY 23 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ttt n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttt h LYS 24 N 0.24 0.06 -0.10 1.61 1.57 -1.90 -2.28 116.57 115.78 1ttt h LYS 24 Ca 0.00 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1ttt h LYS 24 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1ttt h LYS 24 CO 0.00 0.04 -0.42 1.15 -0.57 0.00 0.00 179.45 179.65 1ttt h THR 25 N 0.06 1.31 0.53 -0.16 2.02 -1.97 -1.41 112.91 113.30 1ttt h THR 25 Ca 0.30 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1ttt h THR 25 Cb 0.47 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1ttt h THR 25 CO -0.55 0.46 -0.26 0.74 0.37 0.00 0.00 175.52 176.29 1ttt h THR 26 N 0.18 0.36 -0.77 3.16 2.02 -1.84 -1.94 112.91 114.08 1ttt h THR 26 Ca 0.02 -0.36 0.22 0.00 0.77 0.00 0.00 66.41 67.06 1ttt h THR 26 Cb 0.82 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1ttt h THR 26 CO 0.06 0.05 0.60 0.25 0.37 0.00 0.00 175.52 176.85 1ttt h LEU 27 N -0.97 0.00 0.63 2.58 5.85 -1.34 0.47 115.31 122.53 1ttt h LEU 27 Ca -0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ttt h LEU 27 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.66 1ttt h LEU 27 CO 0.12 0.00 -0.30 0.74 -0.34 0.00 0.00 178.44 178.66 1ttt h THR 28 N 0.00 0.00 -0.68 1.05 2.02 -0.68 0.72 112.91 115.34 1ttt h THR 28 Ca 0.37 -0.33 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1ttt h THR 28 Cb 1.56 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1ttt h THR 28 CO -0.00 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.34 1ttt h ALA 29 N -1.28 1.88 0.59 6.16 0.00 -0.10 -0.19 119.26 126.34 1ttt h ALA 29 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ttt h ALA 29 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ttt h ALA 29 CO 0.14 -0.03 -0.50 0.00 0.00 0.00 0.00 179.25 178.87 1ttt h ALA 30 N 1.65 -1.17 -1.00 0.00 0.00 -0.14 -1.59 119.26 117.01 1ttt h ALA 30 Ca 0.31 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1ttt h ALA 30 Cb 0.47 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1ttt h ALA 30 CO -0.10 -1.19 0.62 -0.07 0.00 0.00 0.00 179.25 178.50 1ttt h LEU 31 N -1.07 0.67 -0.10 0.00 3.38 0.91 -1.12 115.31 117.98 1ttt h LEU 31 Ca -0.08 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ttt h LEU 31 Cb 0.90 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ttt h LEU 31 CO -0.01 0.20 0.05 0.71 0.09 0.00 0.00 178.44 179.47 1ttt h THR 32 N 0.63 1.13 -0.28 0.22 1.35 -0.42 -3.03 112.91 112.49 1ttt h THR 32 Ca 0.59 -0.37 0.04 0.00 -0.55 0.00 0.00 66.41 66.11 1ttt h THR 32 Cb 1.10 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1ttt h THR 32 CO -0.37 0.11 0.07 1.88 -0.25 0.00 0.00 175.52 176.97 1ttt h TYR 33 N 0.03 0.12 -0.59 4.73 0.05 -0.29 -1.98 116.97 119.04 1ttt h TYR 33 Ca 0.04 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1ttt h TYR 33 Cb 0.14 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1ttt h TYR 33 CO -0.03 0.04 0.20 0.28 -1.05 0.00 0.00 178.16 177.60 1ttt h VAL 34 N 0.18 1.22 0.11 -2.88 2.07 -1.57 -2.38 116.25 113.02 1ttt h VAL 34 Ca 0.13 -0.75 -0.29 0.00 0.82 0.00 0.00 66.70 66.61 1ttt h VAL 34 Cb 0.12 0.56 0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1ttt h VAL 34 CO -0.16 0.29 -1.22 0.00 0.02 0.00 0.00 177.57 176.50 1ttt h ALA 35 N 1.35 0.04 -0.65 1.67 0.00 -1.46 -3.22 119.26 117.00 1ttt h ALA 35 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ttt h ALA 35 Cb 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ttt h ALA 35 CO -0.01 0.73 0.41 0.00 0.00 0.00 0.00 179.25 180.38 1ttt h ALA 36 N 0.36 1.49 0.06 0.00 0.00 -1.18 0.34 119.26 120.32 1ttt h ALA 36 Ca -0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ttt h ALA 36 Cb 1.90 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1ttt h ALA 36 CO 0.23 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.75 1ttt h ALA 37 N 1.56 -0.27 -0.30 0.00 0.00 -1.46 -2.47 119.26 116.32 1ttt h ALA 37 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ttt h ALA 37 Cb -0.06 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ttt h ALA 37 CO -0.05 -0.70 0.00 0.39 0.00 0.00 0.00 179.25 178.90 1ttt n GLU 38 N -5.31 1.86 -3.25 0.00 1.02 -0.85 -4.55 120.64 109.56 1ttt n GLU 38 Ca -0.06 -1.32 -0.04 0.00 -0.02 0.00 0.00 57.16 55.72 1ttt n GLU 38 Cb 0.23 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1ttt n GLU 38 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ttt s ASN 39 N -1.26 -0.57 0.00 1.62 0.01 0.11 -4.95 114.94 109.90 1ttt s ASN 39 Ca 0.29 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1ttt s ASN 39 Cb 0.16 1.50 0.00 0.00 0.41 0.00 0.00 41.25 43.32 1ttt s ASN 39 CO 0.22 -0.26 0.06 -0.81 -1.51 0.00 0.00 177.10 174.80 1ttt n PRO 40 N 4.81 0.00 0.00 -0.60 -0.04 -1.12 -2.34 135.00 135.70 1ttt n PRO 40 Ca 0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1ttt n PRO 40 Cb 0.52 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1ttt n PRO 40 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ttt n ASN 41 N -0.48 0.49 -4.49 3.54 6.94 -1.26 -4.63 115.26 115.36 1ttt n ASN 41 Ca 0.00 -0.57 -0.43 0.00 -0.02 0.00 0.00 54.58 53.56 1ttt n ASN 41 Cb 0.00 -0.14 -0.08 0.00 -2.36 0.00 0.00 39.78 37.20 1ttt n ASN 41 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ttt s VAL 42 N -0.37 5.05 -0.39 3.53 1.01 -0.99 -5.02 120.40 123.22 1ttt s VAL 42 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1ttt s VAL 42 Cb 0.00 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1ttt s VAL 42 CO 0.00 -0.46 1.28 -0.70 0.00 0.00 0.00 175.10 175.22 1ttt s GLU 43 N 2.23 3.75 0.69 2.72 2.12 -1.26 -4.47 118.70 124.48 1ttt s GLU 43 Ca 0.13 0.93 -0.15 0.00 0.36 0.00 0.00 54.97 56.24 1ttt s GLU 43 Cb -0.17 -3.93 0.02 0.00 0.26 0.00 0.00 34.13 30.31 1ttt s GLU 43 CO 0.14 -1.34 1.15 0.14 -0.54 0.00 0.00 175.26 174.81 1ttt s VAL 44 N 4.72 2.87 -0.03 3.70 -7.23 -1.26 -4.93 120.40 118.24 1ttt s VAL 44 Ca 0.55 0.41 0.01 0.00 -1.81 0.00 0.00 61.98 61.13 1ttt s VAL 44 Cb -0.12 -2.93 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1ttt s VAL 44 CO 0.28 -0.25 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.27 1ttt s LYS 45 N -4.05 0.41 0.67 4.82 -0.14 -1.26 -5.02 119.74 115.17 1ttt s LYS 45 Ca 0.69 0.02 -0.04 0.00 -1.36 0.00 0.00 55.97 55.29 1ttt s LYS 45 Cb -0.24 -0.54 0.07 0.00 -1.68 0.00 0.00 37.83 35.45 1ttt s LYS 45 CO 0.43 -0.11 0.95 -0.51 -0.76 0.00 0.00 175.35 175.36 1ttt s ASP 46 N 0.91 4.78 0.11 2.83 1.01 -1.26 -4.14 116.67 120.91 1ttt s ASP 46 Ca -0.10 0.15 -0.25 0.00 0.71 0.00 0.00 52.55 53.06 1ttt s ASP 46 Cb -0.13 -0.79 -0.09 0.00 1.01 0.00 0.00 42.92 42.91 1ttt s ASP 46 CO -0.01 -1.57 1.67 0.22 0.21 0.00 0.00 175.17 175.69 1ttt h TYR 47 N -0.43 -0.44 0.00 4.23 3.20 -1.94 0.26 116.97 121.84 1ttt h TYR 47 Ca -0.42 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1ttt h TYR 47 Cb 1.30 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.75 1ttt h TYR 47 CO 0.17 -0.25 0.00 0.41 -1.64 0.00 0.00 178.16 176.85 1ttt n GLY 48 N -1.30 -0.79 0.11 1.82 0.00 -1.26 -1.06 105.19 102.72 1ttt n GLY 48 Ca -0.06 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1ttt n GLY 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ttt h ASP 49 N 0.00 -0.15 0.00 1.61 3.32 -0.91 -3.23 116.42 117.06 1ttt h ASP 49 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ttt h ASP 49 Cb 0.04 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ttt h ASP 49 CO 0.00 0.31 0.00 -0.38 -1.72 0.00 0.00 179.24 177.45 1ttt n ILE 50 N -4.82 0.00 -0.13 0.35 2.08 -0.22 -4.03 119.36 112.60 1ttt n ILE 50 Ca -0.02 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.25 1ttt n ILE 50 Cb 0.07 -0.73 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 1ttt n ILE 50 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1ttt n ASP 51 N 0.00 -0.32 0.00 4.38 9.92 -0.73 -4.58 116.55 125.22 1ttt n ASP 51 Ca 0.00 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 1ttt n ASP 51 Cb 0.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 1ttt n ASP 51 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ttt n LYS 52 N -3.68 0.00 -3.48 -1.24 2.85 -1.22 -4.79 118.16 106.60 1ttt n LYS 52 Ca 0.01 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.89 1ttt n LYS 52 Cb 0.08 -0.44 -0.06 0.00 -0.65 0.00 0.00 35.03 33.96 1ttt n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ttt s ALA 53 N 0.00 3.68 0.28 0.58 0.00 -1.26 -4.93 121.76 120.10 1ttt s ALA 53 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1ttt s ALA 53 Cb 0.00 -2.41 0.67 0.00 0.00 0.00 0.00 23.12 21.38 1ttt s ALA 53 CO 0.00 0.45 1.39 -2.30 0.00 0.00 0.00 175.76 175.30 1ttt n PRO 54 N 1.92 -0.07 0.00 0.00 -0.02 -1.26 -1.28 135.00 134.29 1ttt n PRO 54 Ca -0.13 1.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1ttt n PRO 54 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1ttt n PRO 54 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ttt n GLU 55 N -5.30 0.00 -0.42 -0.52 4.71 -1.26 -2.50 120.64 115.35 1ttt n GLU 55 Ca 0.21 0.31 0.36 0.00 -0.01 0.00 0.00 57.16 58.03 1ttt n GLU 55 Cb 0.68 -1.22 0.61 0.00 -1.01 0.00 0.00 31.44 30.49 1ttt n GLU 55 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ttt n GLU 56 N -1.30 -0.03 0.23 3.49 1.02 -0.70 -0.88 120.64 122.46 1ttt n GLU 56 Ca 0.00 1.13 -0.15 0.00 -0.02 0.00 0.00 57.16 58.12 1ttt n GLU 56 Cb 0.00 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.11 1ttt n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ttt h ARG 57 N 0.00 -0.54 0.43 3.49 3.08 -1.03 0.59 114.38 120.40 1ttt h ARG 57 Ca 0.79 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.86 1ttt h ARG 57 Cb 2.54 0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.71 1ttt h ARG 57 CO -0.43 -0.29 -0.21 0.00 -1.07 0.00 0.00 179.97 177.97 1ttt h ALA 58 N -0.17 -0.58 -0.40 0.04 0.00 -0.70 -2.79 119.26 114.66 1ttt h ALA 58 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ttt h ALA 58 Cb 0.50 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1ttt h ALA 58 CO 0.09 -0.67 0.28 0.00 0.00 0.00 0.00 179.25 178.95 1ttt h ARG 59 N -0.89 0.20 -3.53 0.00 3.08 -1.58 -3.45 114.38 108.21 1ttt h ARG 59 Ca -0.06 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1ttt h ARG 59 Cb 0.56 -0.05 0.07 0.00 0.08 0.00 0.00 29.97 30.64 1ttt h ARG 59 CO 0.10 0.13 -0.34 0.41 -1.07 0.00 0.00 179.97 179.21 1ttt n GLY 60 N -1.55 0.13 3.29 0.04 0.00 0.17 -5.03 105.19 102.23 1ttt n GLY 60 Ca 0.06 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1ttt n GLY 60 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ttt s ILE 61 N -3.16 0.06 -0.11 -0.61 -4.36 0.89 -5.01 121.20 108.90 1ttt s ILE 61 Ca 0.06 -0.52 -0.28 0.00 -0.26 0.00 0.00 60.65 59.64 1ttt s ILE 61 Cb -0.02 -0.87 -0.02 0.00 1.25 0.00 0.00 42.46 42.80 1ttt s ILE 61 CO 0.33 -0.29 0.93 -0.89 0.24 0.00 0.00 174.94 175.26 1ttt s THR 62 N -2.18 4.84 -0.16 8.37 2.01 -1.26 -4.03 115.64 123.23 1ttt s THR 62 Ca -0.07 1.89 -0.03 0.00 0.31 0.00 0.00 61.69 63.78 1ttt s THR 62 Cb -0.02 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1ttt s THR 62 CO -0.01 0.05 -0.17 2.30 -0.69 0.00 0.00 174.62 176.10 1ttt n ILE 63 N 4.47 0.90 -4.00 1.82 -5.35 -1.26 -4.56 119.36 111.37 1ttt n ILE 63 Ca 0.06 -0.29 -0.36 0.00 -0.27 0.00 0.00 62.75 61.90 1ttt n ILE 63 Cb 0.49 -1.37 -0.07 0.00 -1.74 0.00 0.00 39.64 36.95 1ttt n ILE 63 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1ttt s ASN 64 N -5.98 6.09 0.71 7.28 -0.87 -1.26 -4.84 114.94 116.06 1ttt s ASN 64 Ca -0.22 0.35 -0.13 0.00 -1.57 0.00 0.00 52.86 51.29 1ttt s ASN 64 Cb 0.07 -1.89 0.03 0.00 -0.02 0.00 0.00 41.25 39.43 1ttt s ASN 64 CO 0.33 0.36 1.10 0.42 -2.57 0.00 0.00 177.10 176.74 1ttt s THR 65 N -1.07 3.31 0.05 1.60 -4.23 -1.26 -4.84 115.64 109.19 1ttt s THR 65 Ca 0.18 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 1ttt s THR 65 Cb -0.12 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1ttt s THR 65 CO 0.07 -0.47 -0.09 0.00 -0.54 0.00 0.00 174.62 173.60 1ttt s ALA 66 N -2.61 0.67 -0.19 3.99 0.00 -0.89 -4.95 121.76 117.78 1ttt s ALA 66 Ca 0.64 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1ttt s ALA 66 Cb -0.19 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1ttt s ALA 66 CO 0.48 0.01 -0.02 -1.01 0.00 0.00 0.00 175.76 175.22 1ttt s HIS 67 N -1.40 3.01 0.18 0.00 3.76 -1.26 -0.08 115.29 119.51 1ttt s HIS 67 Ca -0.08 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.39 1ttt s HIS 67 Cb -0.10 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1ttt s HIS 67 CO 0.01 -0.25 -0.16 0.14 -0.85 0.00 0.00 174.74 173.64 1ttt s VAL 68 N 0.91 1.69 0.02 -0.90 -7.23 0.18 -4.93 120.40 110.13 1ttt s VAL 68 Ca 0.00 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1ttt s VAL 68 Cb -0.14 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1ttt s VAL 68 CO 0.02 -0.47 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.41 1ttt s GLU 69 N -3.20 1.59 -0.13 4.82 2.12 -1.26 0.27 118.70 122.91 1ttt s GLU 69 Ca 0.18 -0.90 -0.32 0.00 0.36 0.00 0.00 54.97 54.29 1ttt s GLU 69 Cb -0.03 -1.65 0.13 0.00 0.26 0.00 0.00 34.13 32.84 1ttt s GLU 69 CO 0.06 0.43 1.07 1.52 -0.54 0.00 0.00 175.26 177.81 1ttt s TYR 70 N -0.69 -0.24 0.14 5.30 -0.85 0.48 -4.64 117.35 116.85 1ttt s TYR 70 Ca 0.08 0.22 -0.06 0.00 -0.52 0.00 0.00 57.07 56.79 1ttt s TYR 70 Cb -0.09 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1ttt s TYR 70 CO 0.01 -0.33 0.18 -1.83 -1.52 0.00 0.00 175.55 172.06 1ttt s GLU 71 N -2.33 1.01 0.36 -3.49 -1.05 -1.26 0.12 118.70 112.06 1ttt s GLU 71 Ca 0.06 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.66 1ttt s GLU 71 Cb -0.01 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1ttt s GLU 71 CO -0.05 -0.33 0.10 0.25 0.95 0.00 0.00 175.26 176.18 1ttt n THR 72 N -0.14 0.00 -0.11 1.83 -2.24 0.30 -4.80 114.28 109.12 1ttt n THR 72 Ca -0.08 -1.61 -0.14 0.00 -2.27 0.00 0.00 64.05 59.96 1ttt n THR 72 Cb 0.63 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1ttt n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ttt h ALA 73 N 1.01 0.54 -0.02 6.98 0.00 -1.99 -3.21 119.26 122.57 1ttt h ALA 73 Ca -0.27 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 1ttt h ALA 73 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ttt h ALA 73 CO 0.45 0.68 -0.80 0.87 0.00 0.00 0.00 179.25 180.44 1ttt h LYS 74 N 0.75 0.22 -3.80 0.00 1.57 -1.99 -3.49 116.57 109.83 1ttt h LYS 74 Ca 0.05 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1ttt h LYS 74 Cb 1.03 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1ttt h LYS 74 CO 0.10 0.91 -0.28 1.03 -0.57 0.00 0.00 179.45 180.64 1ttt s ARG 75 N -3.37 1.12 -0.23 3.15 0.52 -1.21 -4.11 118.95 114.82 1ttt s ARG 75 Ca -0.03 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 53.99 1ttt s ARG 75 Cb 0.11 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.92 1ttt s ARG 75 CO 0.82 -0.41 0.15 -1.58 0.02 0.00 0.00 175.30 174.30 1ttt s HIS 76 N -3.93 3.32 -0.05 -0.53 5.65 0.35 -0.54 115.29 119.55 1ttt s HIS 76 Ca 0.14 0.21 0.06 0.00 0.25 0.00 0.00 55.06 55.72 1ttt s HIS 76 Cb 0.03 -2.24 -0.01 0.00 -1.18 0.00 0.00 32.58 29.17 1ttt s HIS 76 CO -0.03 0.09 -0.25 0.71 -0.65 0.00 0.00 174.74 174.61 1ttt s TYR 77 N 0.95 2.43 -0.20 3.88 2.02 0.34 0.53 117.35 127.29 1ttt s TYR 77 Ca 0.07 -0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1ttt s TYR 77 Cb -0.13 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1ttt s TYR 77 CO 0.03 -0.16 0.01 -1.12 -1.57 0.00 0.00 175.55 172.74 1ttt s SER 78 N -0.29 4.86 -0.13 2.29 0.01 -0.63 -0.38 113.70 119.43 1ttt s SER 78 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1ttt s SER 78 Cb -0.13 -1.83 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1ttt s SER 78 CO 0.02 0.06 -0.12 -2.28 0.41 0.00 0.00 173.24 171.33 1ttt s HIS 79 N 1.05 1.92 -0.24 2.43 2.46 0.78 -1.38 115.29 122.30 1ttt s HIS 79 Ca 0.02 -1.01 -0.07 0.00 0.47 0.00 0.00 55.06 54.47 1ttt s HIS 79 Cb -0.14 -1.45 -0.03 0.00 -0.13 0.00 0.00 32.58 30.83 1ttt s HIS 79 CO 0.02 -0.58 0.07 0.08 -2.47 0.00 0.00 174.74 171.86 1ttt s VAL 80 N 1.44 4.42 -0.39 0.89 1.01 -0.16 0.47 120.40 128.08 1ttt s VAL 80 Ca 0.02 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1ttt s VAL 80 Cb -0.13 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ttt s VAL 80 CO -0.08 0.35 0.60 -0.62 0.00 0.00 0.00 175.10 175.35 1ttt s ASP 81 N 1.42 6.34 0.45 3.32 2.15 0.89 -2.16 116.67 129.09 1ttt s ASP 81 Ca 0.05 -0.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.86 1ttt s ASP 81 Cb -0.15 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1ttt s ASP 81 CO 0.04 -0.65 0.69 0.00 -0.17 0.00 0.00 175.17 175.08 1ttt s PRO 83 N -4.58 4.17 0.00 0.00 0.04 -1.26 -4.83 135.00 128.54 1ttt s PRO 83 Ca 0.48 0.76 0.20 0.00 0.04 0.00 0.00 61.00 62.48 1ttt s PRO 83 Cb -0.10 -2.88 -0.21 0.00 0.04 0.00 0.00 34.50 31.35 1ttt s PRO 83 CO 0.39 0.41 0.88 0.41 0.04 0.00 0.00 177.00 179.12 1ttt n GLY 84 N 0.71 -0.87 3.73 0.56 0.00 -1.26 -4.76 105.19 103.30 1ttt n GLY 84 Ca -0.03 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1ttt n GLY 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ttt s HIS 85 N -2.90 3.48 -0.25 1.61 5.04 -1.26 -2.50 115.29 118.51 1ttt s HIS 85 Ca 0.08 1.43 0.23 0.00 -1.54 0.00 0.00 55.06 55.26 1ttt s HIS 85 Cb 0.15 -3.38 1.16 0.00 0.04 0.00 0.00 32.58 30.55 1ttt s HIS 85 CO 0.82 -1.07 1.69 0.00 -2.34 0.00 0.00 174.74 173.85 1ttt n ALA 86 N 2.94 1.20 0.13 1.58 0.00 -1.26 -2.03 120.51 123.07 1ttt n ALA 86 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1ttt n ALA 86 Cb 0.46 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.69 1ttt n ALA 86 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ttt h ASP 87 N 0.00 0.00 -0.64 0.00 3.32 -1.95 -3.18 116.42 113.97 1ttt h ASP 87 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ttt h ASP 87 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ttt h ASP 87 CO 0.00 0.66 0.00 -1.22 -1.72 0.00 0.00 179.24 176.96 1ttt n TYR 88 N -3.66 1.37 -0.10 4.55 4.01 -0.86 -4.63 117.16 117.84 1ttt n TYR 88 Ca -0.01 -0.56 0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1ttt n TYR 88 Cb 0.67 -0.20 0.67 0.00 -0.31 0.00 0.00 39.34 40.17 1ttt n TYR 88 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1ttt h ILE 89 N 3.98 0.27 0.09 -0.72 1.08 -1.57 -2.78 117.51 117.85 1ttt h ILE 89 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ttt h ILE 89 Cb 1.34 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1ttt h ILE 89 CO 0.19 0.00 -0.07 0.11 -0.69 0.00 0.00 178.15 177.69 1ttt h LYS 90 N 0.00 -0.14 -0.95 2.37 1.57 -1.89 -0.63 116.57 116.90 1ttt h LYS 90 Ca 0.37 0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.46 1ttt h LYS 90 Cb 1.89 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 34.07 1ttt h LYS 90 CO -0.00 -0.10 0.27 -0.91 -0.57 0.00 0.00 179.45 178.14 1ttt h ASN 91 N -0.15 -0.03 -0.02 0.86 4.21 -1.85 2.00 115.58 120.60 1ttt h ASN 91 Ca -0.01 0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.77 1ttt h ASN 91 Cb 0.13 0.32 -0.04 0.00 -1.12 0.00 0.00 38.32 37.61 1ttt h ASN 91 CO -0.00 -0.28 -0.19 -0.03 -1.29 0.00 0.00 177.43 175.64 1ttt h MET 92 N 0.11 -0.28 -0.99 0.81 4.05 -1.45 1.18 114.93 118.36 1ttt h MET 92 Ca 0.65 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 60.10 1ttt h MET 92 Cb 1.46 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 32.28 1ttt h MET 92 CO -0.76 -0.19 0.65 0.82 0.23 0.00 0.00 176.91 177.66 1ttt h ILE 93 N -0.29 1.25 0.40 1.77 2.04 0.41 0.37 117.51 123.46 1ttt h ILE 93 Ca 0.06 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1ttt h ILE 93 Cb 0.38 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1ttt h ILE 93 CO -0.19 0.24 -0.19 0.74 0.00 0.00 0.00 178.15 178.75 1ttt h THR 94 N 1.34 0.61 -0.09 -0.27 2.02 0.63 -0.39 112.91 116.75 1ttt h THR 94 Ca 0.36 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.40 1ttt h THR 94 Cb -0.15 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1ttt h THR 94 CO -0.08 0.04 -0.33 1.23 0.37 0.00 0.00 175.52 176.75 1ttt h GLY 95 N -0.64 -0.49 0.86 2.16 0.00 0.18 0.83 103.07 105.97 1ttt h GLY 95 Ca -0.05 0.40 0.14 0.00 0.00 0.00 0.00 47.33 47.82 1ttt h GLY 95 CO 0.09 -0.22 0.43 0.00 0.00 0.00 0.00 176.54 176.83 1ttt h ALA 96 N 0.35 2.32 0.00 3.60 0.00 -0.17 0.56 119.26 125.92 1ttt h ALA 96 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ttt h ALA 96 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ttt h ALA 96 CO -0.33 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.23 1ttt h ALA 97 N 1.61 1.00 -0.69 0.00 0.00 0.96 -2.36 119.26 119.78 1ttt h ALA 97 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ttt h ALA 97 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ttt h ALA 97 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1ttt n GLN 98 N -2.43 2.73 -3.71 0.00 6.02 0.19 -4.94 117.38 115.24 1ttt n GLN 98 Ca 0.02 -2.53 -0.37 0.00 -0.01 0.00 0.00 57.00 54.11 1ttt n GLN 98 Cb 0.24 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 1ttt n GLN 98 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1ttt s MET 99 N -1.17 3.66 -0.02 -1.09 -1.94 -0.89 -4.67 119.30 113.17 1ttt s MET 99 Ca 0.47 0.11 0.17 0.00 -1.71 0.00 0.00 55.69 54.73 1ttt s MET 99 Cb 0.25 -3.19 -0.20 0.00 2.01 0.00 0.00 34.83 33.70 1ttt s MET 99 CO 0.31 0.73 0.59 -0.25 -0.01 0.00 0.00 175.02 176.38 1ttt n ASP 100 N 1.81 0.54 -3.64 3.03 8.00 0.52 -4.35 116.55 122.46 1ttt n ASP 100 Ca -0.16 0.24 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 1ttt n ASP 100 Cb 0.54 0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 42.15 1ttt n ASP 100 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ttt s GLY 101 N -4.94 -0.44 -0.08 0.44 0.00 -0.75 -3.95 107.32 97.60 1ttt s GLY 101 Ca -0.05 1.40 0.04 0.00 0.00 0.00 0.00 44.72 46.10 1ttt s GLY 101 CO 0.83 1.13 -0.22 0.00 0.00 0.00 0.00 173.10 174.85 1ttt s ALA 102 N -0.31 2.30 -0.69 3.20 0.00 0.53 -3.13 121.76 123.66 1ttt s ALA 102 Ca -0.05 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 1ttt s ALA 102 Cb -0.03 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.34 1ttt s ALA 102 CO 0.04 0.37 0.95 0.42 0.00 0.00 0.00 175.76 177.53 1ttt s ILE 103 N 0.01 4.45 -0.79 0.00 1.01 0.26 -0.78 121.20 125.35 1ttt s ILE 103 Ca -0.08 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1ttt s ILE 103 Cb -0.15 -4.67 0.06 0.00 0.01 0.00 0.00 42.46 37.71 1ttt s ILE 103 CO 0.05 -1.42 1.20 -0.22 0.00 0.00 0.00 174.94 174.56 1ttt s LEU 104 N 3.67 3.80 -0.46 2.97 2.96 -0.17 -1.11 118.68 130.34 1ttt s LEU 104 Ca 0.22 -0.99 -0.29 0.00 -0.22 0.00 0.00 54.13 52.85 1ttt s LEU 104 Cb -0.16 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.05 1ttt s LEU 104 CO 0.07 -1.57 1.16 -0.69 -1.32 0.00 0.00 176.35 174.00 1ttt s VAL 105 N 4.75 4.19 -0.09 1.68 1.01 0.18 -1.54 120.40 130.58 1ttt s VAL 105 Ca 0.33 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1ttt s VAL 105 Cb -0.09 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1ttt s VAL 105 CO 0.06 -0.96 -0.09 -0.69 0.00 0.00 0.00 175.10 173.42 1ttt s VAL 106 N 4.50 3.45 -0.21 2.92 1.01 -0.47 -4.35 120.40 127.27 1ttt s VAL 106 Ca 0.49 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 1ttt s VAL 106 Cb -0.08 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ttt s VAL 106 CO 0.31 0.56 0.59 -0.55 0.00 0.00 0.00 175.10 176.01 1ttt s SER 107 N -0.35 6.63 0.46 3.32 0.15 -1.26 -1.15 113.70 121.50 1ttt s SER 107 Ca 0.04 0.76 0.20 0.00 0.70 0.00 0.00 55.95 57.65 1ttt s SER 107 Cb -0.12 -2.33 1.12 0.00 -1.71 0.00 0.00 66.02 62.98 1ttt s SER 107 CO 0.02 -0.25 1.98 0.00 1.20 0.00 0.00 173.24 176.19 1ttt h ALA 108 N 7.53 1.42 0.00 5.45 0.00 -1.51 0.92 119.26 133.07 1ttt h ALA 108 Ca -0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1ttt h ALA 108 Cb 1.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ttt h ALA 108 CO 0.76 0.25 -0.11 0.00 0.00 0.00 0.00 179.25 180.15 1ttt h ALA 109 N 1.80 1.09 0.00 0.00 0.00 -1.81 -3.24 119.26 117.09 1ttt h ALA 109 Ca -0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1ttt h ALA 109 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ttt h ALA 109 CO 0.03 0.14 -1.55 -0.25 0.00 0.00 0.00 179.25 177.61 1ttt n ASP 110 N -3.35 2.95 -0.50 0.00 8.00 -0.71 -5.10 116.55 117.84 1ttt n ASP 110 Ca -0.01 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1ttt n ASP 110 Cb 0.31 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.17 1ttt n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ttt n GLY 111 N 2.44 -2.11 3.67 0.44 0.00 0.31 -4.77 105.19 105.17 1ttt n GLY 111 Ca -0.12 -1.40 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1ttt n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ttt n PRO 112 N -2.04 2.66 -2.39 1.61 -0.04 -1.26 -4.58 135.00 128.96 1ttt n PRO 112 Ca 0.00 0.97 -0.11 0.00 -0.04 0.00 0.00 63.50 64.33 1ttt n PRO 112 Cb 0.22 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1ttt n PRO 112 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ttt n MET 113 N 6.64 1.10 0.17 0.54 2.81 -1.26 -5.00 117.12 122.11 1ttt n MET 113 Ca 0.20 -1.45 -0.14 0.00 -1.81 0.00 0.00 57.70 54.50 1ttt n MET 113 Cb 0.37 0.12 -0.07 0.00 -0.71 0.00 0.00 33.22 32.93 1ttt n MET 113 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ttt h PRO 114 N 0.00 -0.59 0.00 0.03 0.11 -2.00 -2.68 132.00 126.86 1ttt h PRO 114 Ca -0.14 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1ttt h PRO 114 Cb 0.54 0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1ttt h PRO 114 CO 0.22 -0.40 -0.12 1.96 -0.21 0.00 0.00 178.00 179.46 1ttt h GLN 115 N -0.62 0.00 0.40 1.05 7.50 -1.93 -0.12 115.11 121.39 1ttt h GLN 115 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1ttt h GLN 115 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.10 1ttt h GLN 115 CO -0.12 0.12 -0.37 1.15 -1.50 0.00 0.00 178.83 178.11 1ttt h THR 116 N 0.00 0.25 -0.40 -0.54 2.02 -1.79 2.24 112.91 114.69 1ttt h THR 116 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1ttt h THR 116 Cb 0.26 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1ttt h THR 116 CO 0.02 0.00 -0.05 -0.09 0.37 0.00 0.00 175.52 175.76 1ttt h ARG 117 N -0.78 0.66 0.71 6.66 2.43 -0.77 -2.84 114.38 120.45 1ttt h ARG 117 Ca -0.03 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1ttt h ARG 117 Cb 0.69 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1ttt h ARG 117 CO -0.05 0.72 -0.34 1.49 -1.51 0.00 0.00 179.97 180.28 1ttt h GLU 118 N 0.62 -0.92 -1.11 0.20 4.81 -0.10 -2.28 114.58 115.80 1ttt h GLU 118 Ca 0.12 0.06 0.33 0.00 -0.13 0.00 0.00 59.36 59.74 1ttt h GLU 118 Cb 0.47 0.21 -0.12 0.00 0.63 0.00 0.00 28.75 29.93 1ttt h GLU 118 CO 0.02 -0.59 0.69 0.45 -0.73 0.00 0.00 179.01 178.86 1ttt h HIS 119 N -1.15 0.71 0.46 0.92 3.86 0.37 0.91 115.15 121.23 1ttt h HIS 119 Ca -0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1ttt h HIS 119 Cb 0.76 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1ttt h HIS 119 CO -0.00 -0.09 -0.22 0.82 0.86 0.00 0.00 177.93 179.30 1ttt h ILE 120 N 0.29 0.37 -0.82 2.45 2.04 -1.43 -0.22 117.51 120.20 1ttt h ILE 120 Ca 0.71 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1ttt h ILE 120 Cb 1.86 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 1ttt h ILE 120 CO -0.43 0.06 0.39 0.25 0.00 0.00 0.00 178.15 178.43 1ttt h LEU 121 N -0.98 0.45 0.86 1.44 5.85 0.11 0.05 115.31 123.09 1ttt h LEU 121 Ca -0.06 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ttt h LEU 121 Cb 0.58 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ttt h LEU 121 CO 0.10 0.19 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.91 1ttt h LEU 122 N 0.57 -0.98 -0.93 2.25 3.38 0.42 0.16 115.31 120.18 1ttt h LEU 122 Ca 0.45 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.69 1ttt h LEU 122 Cb 0.64 0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 1ttt h LEU 122 CO -0.37 -0.68 0.05 0.00 0.09 0.00 0.00 178.44 177.52 1ttt h ALA 123 N -1.06 1.11 -0.25 1.53 0.00 -0.34 0.76 119.26 121.01 1ttt h ALA 123 Ca -0.12 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ttt h ALA 123 Cb 0.89 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ttt h ALA 123 CO 0.19 -0.53 -0.42 -0.09 0.00 0.00 0.00 179.25 178.40 1ttt h ARG 124 N 0.05 0.73 0.00 0.00 2.43 -0.77 -1.22 114.38 115.60 1ttt h ARG 124 Ca 0.56 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1ttt h ARG 124 Cb 1.13 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1ttt h ARG 124 CO -0.85 1.07 -0.08 1.96 -1.51 0.00 0.00 179.97 180.57 1ttt h GLN 125 N 0.47 0.00 -0.94 0.20 1.08 0.25 -2.09 115.11 114.08 1ttt h GLN 125 Ca 0.02 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.70 1ttt h GLN 125 Cb 1.02 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 28.16 1ttt h GLN 125 CO 0.10 0.08 0.61 1.55 -0.95 0.00 0.00 178.83 180.21 1ttt n VAL 126 N -3.89 3.22 0.00 -0.54 3.14 0.22 -3.63 118.33 116.85 1ttt n VAL 126 Ca -0.02 -2.22 0.00 0.00 -2.96 0.00 0.00 64.34 59.14 1ttt n VAL 126 Cb 0.17 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 1ttt n VAL 126 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ttt n GLY 127 N -1.10 3.02 3.59 7.55 0.00 -0.79 -4.49 105.19 112.97 1ttt n GLY 127 Ca 0.58 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 46.04 1ttt n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ttt n VAL 128 N -1.78 0.25 1.04 1.61 0.31 -0.48 -4.84 118.33 114.45 1ttt n VAL 128 Ca 0.00 -0.11 0.11 0.00 -0.01 0.00 0.00 64.34 64.33 1ttt n VAL 128 Cb 0.00 -1.30 0.05 0.00 -0.91 0.00 0.00 33.84 31.68 1ttt n VAL 128 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ttt n PRO 129 N 6.49 0.94 -3.77 5.55 -0.04 -1.26 -4.56 135.00 138.35 1ttt n PRO 129 Ca 0.34 -0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 1ttt n PRO 129 Cb 0.15 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1ttt n PRO 129 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ttt s TYR 130 N -2.57 -0.17 -0.01 0.54 1.51 -1.25 -5.02 117.35 110.37 1ttt s TYR 130 Ca 0.18 0.47 0.05 0.00 -1.01 0.00 0.00 57.07 56.76 1ttt s TYR 130 Cb 0.18 -0.03 -0.01 0.00 -0.11 0.00 0.00 41.96 41.99 1ttt s TYR 130 CO 0.61 -0.14 -0.16 0.42 -1.11 0.00 0.00 175.55 175.17 1ttt s ILE 131 N 0.80 1.28 0.09 2.71 1.01 -1.26 0.20 121.20 126.02 1ttt s ILE 131 Ca -0.06 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1ttt s ILE 131 Cb -0.08 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1ttt s ILE 131 CO -0.04 0.35 -0.24 -0.69 0.00 0.00 0.00 174.94 174.31 1ttt s VAL 132 N -0.40 1.98 0.08 2.92 1.01 0.04 -4.60 120.40 121.43 1ttt s VAL 132 Ca 0.06 -1.51 0.09 0.00 0.00 0.00 0.00 61.98 60.62 1ttt s VAL 132 Cb -0.06 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ttt s VAL 132 CO -0.01 0.14 -0.22 -0.69 0.00 0.00 0.00 175.10 174.32 1ttt s VAL 133 N -0.98 2.50 -0.13 2.92 1.01 -0.52 -1.00 120.40 124.20 1ttt s VAL 133 Ca 0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.62 1ttt s VAL 133 Cb -0.10 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1ttt s VAL 133 CO 0.04 0.23 -0.04 0.12 0.00 0.00 0.00 175.10 175.45 1ttt s PHE 134 N -0.98 1.30 -0.88 5.22 5.36 -0.59 -1.36 117.98 126.06 1ttt s PHE 134 Ca 0.14 -0.71 -0.23 0.00 -0.96 0.00 0.00 56.93 55.17 1ttt s PHE 134 Cb -0.10 -1.13 0.07 0.00 -0.34 0.00 0.00 43.02 41.51 1ttt s PHE 134 CO 0.06 -0.51 1.26 1.41 -1.46 0.00 0.00 175.22 175.98 1ttt s MET 135 N 1.77 3.42 0.56 10.12 -2.45 0.19 -1.36 119.30 131.55 1ttt s MET 135 Ca 0.03 -1.01 -0.06 0.00 -1.25 0.00 0.00 55.69 53.40 1ttt s MET 135 Cb -0.14 -4.81 0.12 0.00 1.25 0.00 0.00 34.83 31.26 1ttt s MET 135 CO -0.07 -2.04 0.77 -1.71 1.05 0.00 0.00 175.02 173.02 1ttt n ASN 136 N 8.30 0.43 -2.81 1.11 5.15 -0.30 -0.42 115.26 126.71 1ttt n ASN 136 Ca 0.18 -1.50 -0.19 0.00 -0.60 0.00 0.00 54.58 52.46 1ttt n ASN 136 Cb 0.49 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1ttt n ASN 136 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ttt n LYS 137 N -2.55 -3.13 0.15 1.20 5.02 -1.01 -1.56 118.16 116.28 1ttt n LYS 137 Ca 0.11 0.72 -0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1ttt n LYS 137 Cb 0.38 -5.43 0.23 0.00 -0.02 0.00 0.00 35.03 30.19 1ttt n LYS 137 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ttt h VAL 138 N -0.61 1.38 -0.32 -0.18 2.07 -1.75 -2.88 116.25 113.97 1ttt h VAL 138 Ca -0.42 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.36 1ttt h VAL 138 Cb 1.30 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1ttt h VAL 138 CO 0.49 0.52 0.24 -2.24 0.02 0.00 0.00 177.57 176.60 1ttt h ASP 139 N 0.00 0.00 1.56 0.57 2.03 -1.89 -1.63 116.42 117.07 1ttt h ASP 139 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1ttt h ASP 139 Cb 0.94 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 1ttt h ASP 139 CO 0.07 0.00 -0.37 0.24 -1.03 0.00 0.00 179.24 178.15 1ttt h MET 140 N 0.00 0.00 -4.69 4.15 2.86 -1.90 -3.45 114.93 111.89 1ttt h MET 140 Ca 0.15 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 57.09 1ttt h MET 140 Cb 0.63 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.09 1ttt h MET 140 CO -0.00 0.00 -0.36 0.08 1.06 0.00 0.00 176.91 177.69 1ttt s VAL 141 N -3.25 5.20 -0.00 -2.22 1.01 -0.61 -4.99 120.40 115.54 1ttt s VAL 141 Ca 0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 1ttt s VAL 141 Cb 0.08 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.37 1ttt s VAL 141 CO 0.71 -0.27 1.24 0.44 0.00 0.00 0.00 175.10 177.22 1ttt h ASP 142 N 8.62 -0.21 -2.39 3.32 3.32 -1.88 -3.46 116.42 123.74 1ttt h ASP 142 Ca -0.28 -0.27 -0.54 0.00 0.02 0.00 0.00 57.03 55.96 1ttt h ASP 142 Cb 1.13 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.74 1ttt h ASP 142 CO 0.73 0.18 1.24 -0.62 -1.72 0.00 0.00 179.24 179.05 1ttt s ASP 143 N -5.30 6.34 0.08 6.45 -1.08 -1.26 -4.94 116.67 116.96 1ttt s ASP 143 Ca -0.14 2.41 -0.31 0.00 -0.52 0.00 0.00 52.55 53.99 1ttt s ASP 143 Cb 0.02 -2.53 -0.18 0.00 -1.46 0.00 0.00 42.92 38.78 1ttt s ASP 143 CO 0.58 -1.18 1.64 -0.65 0.52 0.00 0.00 175.17 176.09 1ttt h PRO 144 N 11.06 -0.72 -0.51 4.34 0.10 -1.99 -1.02 132.00 143.25 1ttt h PRO 144 Ca -0.45 0.05 0.10 0.00 0.10 0.00 0.00 66.00 65.80 1ttt h PRO 144 Cb 1.22 0.16 -0.10 0.00 0.10 0.00 0.00 31.00 32.39 1ttt h PRO 144 CO 0.95 -0.48 -0.12 0.93 0.10 0.00 0.00 178.00 179.38 1ttt h GLU 145 N -0.75 0.01 -0.57 1.05 4.39 -1.98 0.17 114.58 116.90 1ttt h GLU 145 Ca -0.07 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1ttt h GLU 145 Cb 0.59 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1ttt h GLU 145 CO 0.11 0.00 0.30 1.25 -1.16 0.00 0.00 179.01 179.51 1ttt h LEU 146 N 0.01 0.72 -1.15 1.33 5.85 -1.89 0.11 115.31 120.30 1ttt h LEU 146 Ca 0.25 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1ttt h LEU 146 Cb 0.38 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1ttt h LEU 146 CO -0.52 0.62 0.33 -0.07 -0.34 0.00 0.00 178.44 178.46 1ttt h LEU 147 N 0.76 0.84 -0.92 2.25 3.38 -0.26 -0.34 115.31 121.02 1ttt h LEU 147 Ca 0.20 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1ttt h LEU 147 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ttt h LEU 147 CO -0.03 0.70 0.05 0.44 0.09 0.00 0.00 178.44 179.69 1ttt h ASP 148 N 0.93 0.80 -0.14 -0.43 5.19 0.48 -2.61 116.42 120.64 1ttt h ASP 148 Ca 0.23 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1ttt h ASP 148 Cb 0.07 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1ttt h ASP 148 CO -0.03 0.84 0.01 0.25 -3.12 0.00 0.00 179.24 177.19 1ttt h LEU 149 N 0.79 0.24 -0.90 1.55 5.85 0.35 -2.43 115.31 120.76 1ttt h LEU 149 Ca 0.16 -0.28 0.17 0.00 0.84 0.00 0.00 57.88 58.76 1ttt h LEU 149 Cb 0.40 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1ttt h LEU 149 CO 0.01 0.46 0.49 0.58 -0.34 0.00 0.00 178.44 179.64 1ttt h VAL 150 N 0.01 0.71 -0.11 1.05 2.07 -0.99 -0.25 116.25 118.73 1ttt h VAL 150 Ca 0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ttt h VAL 150 Cb 0.33 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1ttt h VAL 150 CO 0.00 0.12 0.05 -0.08 0.02 0.00 0.00 177.57 177.69 1ttt h GLU 151 N 0.66 0.16 0.24 1.57 4.81 -1.25 0.11 114.58 120.88 1ttt h GLU 151 Ca 0.51 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1ttt h GLU 151 Cb 0.76 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1ttt h GLU 151 CO -0.38 0.24 -0.20 1.98 -0.73 0.00 0.00 179.01 179.91 1ttt h MET 152 N 0.04 -0.45 -0.35 1.92 4.05 -0.81 0.75 114.93 120.09 1ttt h MET 152 Ca 0.04 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1ttt h MET 152 Cb 0.13 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 30.95 1ttt h MET 152 CO -0.00 -0.30 -0.36 0.93 0.23 0.00 0.00 176.91 177.40 1ttt h GLU 153 N -0.46 -0.30 -0.23 0.39 5.08 -0.88 0.34 114.58 118.51 1ttt h GLU 153 Ca -0.01 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ttt h GLU 153 Cb 0.42 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1ttt h GLU 153 CO -0.03 -0.20 0.05 0.28 -1.00 0.00 0.00 179.01 178.11 1ttt h VAL 154 N -0.31 0.89 -0.45 3.13 2.07 -0.43 0.27 116.25 121.42 1ttt h VAL 154 Ca 0.15 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1ttt h VAL 154 Cb 0.56 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ttt h VAL 154 CO -0.52 0.02 0.28 0.03 0.02 0.00 0.00 177.57 177.41 1ttt h ARG 155 N 0.14 0.59 -0.04 1.57 3.08 0.25 -0.95 114.38 119.01 1ttt h ARG 155 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1ttt h ARG 155 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ttt h ARG 155 CO -0.14 0.40 -0.13 0.22 -1.07 0.00 0.00 179.97 179.25 1ttt h ASP 156 N 0.61 0.19 -0.57 7.04 3.58 0.24 -0.69 116.42 126.81 1ttt h ASP 156 Ca 0.16 -0.62 0.11 0.00 0.42 0.00 0.00 57.03 57.11 1ttt h ASP 156 Cb -0.05 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 40.85 1ttt h ASP 156 CO -0.03 0.78 0.03 0.25 -2.88 0.00 0.00 179.24 177.39 1ttt h LEU 157 N -0.39 -0.19 -0.52 2.28 5.85 -0.72 0.81 115.31 122.42 1ttt h LEU 157 Ca -0.01 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1ttt h LEU 157 Cb 0.76 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1ttt h LEU 157 CO 0.03 -0.07 0.16 0.25 -0.34 0.00 0.00 178.44 178.46 1ttt h LEU 158 N 0.15 0.11 -2.07 2.25 7.12 -1.15 0.25 115.31 121.98 1ttt h LEU 158 Ca 0.30 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.37 1ttt h LEU 158 Cb 0.46 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1ttt h LEU 158 CO -0.46 0.09 -0.07 0.78 -0.13 0.00 0.00 178.44 178.65 1ttt h ASN 159 N 0.32 0.00 0.15 1.25 2.35 0.21 -0.34 115.58 119.52 1ttt h ASN 159 Ca 0.26 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.79 1ttt h ASN 159 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ttt h ASN 159 CO -0.29 0.07 -0.84 1.56 -1.65 0.00 0.00 177.43 176.27 1ttt h GLN 160 N 0.00 0.54 -0.29 0.81 4.20 0.17 -2.83 115.11 117.71 1ttt h GLN 160 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1ttt h GLN 160 Cb 0.29 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1ttt h GLN 160 CO 0.01 1.12 0.00 0.66 -0.67 0.00 0.00 178.83 179.95 1ttt n TYR 161 N -3.84 0.37 -0.81 2.96 4.01 -1.04 -4.94 117.16 113.87 1ttt n TYR 161 Ca -0.07 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1ttt n TYR 161 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 1ttt n TYR 161 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ttt n GLU 162 N 0.65 0.00 -1.89 -0.72 1.02 -0.93 -5.05 120.64 113.71 1ttt n GLU 162 Ca 0.16 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.25 1ttt n GLU 162 Cb 0.38 -2.92 0.07 0.00 -0.02 0.00 0.00 31.44 28.95 1ttt n GLU 162 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ttt s PHE 163 N -2.00 3.15 -1.21 -0.32 0.08 -0.18 -4.91 117.98 112.59 1ttt s PHE 163 Ca 0.00 0.91 -0.06 0.00 0.12 0.00 0.00 56.93 57.90 1ttt s PHE 163 Cb 0.00 -3.27 0.21 0.00 -0.57 0.00 0.00 43.02 39.39 1ttt s PHE 163 CO 0.00 -1.45 1.89 -0.35 -0.10 0.00 0.00 175.22 175.21 1ttt n PRO 164 N -3.15 4.29 -0.34 0.24 -0.04 -1.26 -4.04 135.00 130.70 1ttt n PRO 164 Ca 0.07 -3.90 0.29 0.00 -0.04 0.00 0.00 63.50 59.92 1ttt n PRO 164 Cb 0.59 -2.70 0.61 0.00 -0.04 0.00 0.00 33.50 31.96 1ttt n PRO 164 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ttt h GLY 165 N 6.29 0.81 0.71 0.55 0.00 -1.84 1.16 103.07 110.75 1ttt h GLY 165 Ca 0.44 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1ttt h GLY 165 CO 1.47 -0.12 0.16 -0.55 0.00 0.00 0.00 176.54 177.51 1ttt h ASP 166 N 0.23 0.21 0.48 0.19 5.19 -1.85 -2.60 116.42 118.26 1ttt h ASP 166 Ca 0.61 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1ttt h ASP 166 Cb 1.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.39 1ttt h ASP 166 CO -0.21 0.16 -0.62 -0.62 -3.12 0.00 0.00 179.24 174.83 1ttt n GLU 167 N -4.97 0.06 -1.65 3.56 1.02 0.34 -4.96 120.64 114.03 1ttt n GLU 167 Ca 0.02 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.77 1ttt n GLU 167 Cb 0.13 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1ttt n GLU 167 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ttt n VAL 168 N -1.61 2.87 -2.85 2.62 0.31 0.18 -4.93 118.33 114.93 1ttt n VAL 168 Ca 0.05 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.48 1ttt n VAL 168 Cb 0.36 -1.33 -0.05 0.00 -0.91 0.00 0.00 33.84 31.90 1ttt n VAL 168 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ttt s PRO 169 N -2.31 4.66 -0.30 5.55 0.01 -1.26 -4.98 135.00 136.37 1ttt s PRO 169 Ca 0.66 1.30 0.01 0.00 0.01 0.00 0.00 61.00 62.98 1ttt s PRO 169 Cb -0.50 -3.32 0.09 0.00 0.01 0.00 0.00 34.50 30.78 1ttt s PRO 169 CO 0.54 0.39 0.05 0.08 0.01 0.00 0.00 177.00 178.08 1ttt s VAL 170 N -0.59 1.37 0.23 3.83 1.01 -1.26 -1.44 120.40 123.54 1ttt s VAL 170 Ca 0.41 -1.59 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1ttt s VAL 170 Cb -0.23 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 1ttt s VAL 170 CO 0.28 -0.52 0.50 -0.63 0.00 0.00 0.00 175.10 174.72 1ttt s ILE 171 N 1.39 5.05 -0.05 2.22 1.09 -0.46 -4.93 121.20 125.50 1ttt s ILE 171 Ca 0.07 0.14 0.03 0.00 -1.10 0.00 0.00 60.65 59.78 1ttt s ILE 171 Cb -0.18 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.56 1ttt s ILE 171 CO -0.16 -0.15 -0.11 -0.13 -0.10 0.00 0.00 174.94 174.29 1ttt s ARG 172 N -3.10 1.38 0.00 2.79 0.52 -1.26 0.56 118.95 119.84 1ttt s ARG 172 Ca 0.44 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 1ttt s ARG 172 Cb -0.11 -1.21 0.10 0.00 0.52 0.00 0.00 34.95 34.26 1ttt s ARG 172 CO 0.26 0.08 1.26 0.20 0.02 0.00 0.00 175.30 177.13 1ttt s GLY 173 N 0.42 -0.22 -0.14 -3.53 0.00 0.44 -4.92 107.32 99.37 1ttt s GLY 173 Ca -0.09 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 1ttt s GLY 173 CO 0.02 3.11 -0.07 -0.45 0.00 0.00 0.00 173.10 175.71 1ttt s SER 174 N -3.44 4.53 -0.05 1.64 0.15 -1.26 -2.41 113.70 112.87 1ttt s SER 174 Ca 0.23 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1ttt s SER 174 Cb 0.01 -1.68 -0.24 0.00 -1.71 0.00 0.00 66.02 62.40 1ttt s SER 174 CO -0.01 0.18 0.64 0.00 1.20 0.00 0.00 173.24 175.25 1ttt h ALA 175 N 6.59 0.67 -0.28 5.45 0.00 -1.95 -3.11 119.26 126.64 1ttt h ALA 175 Ca -0.30 -1.42 0.03 0.00 0.00 0.00 0.00 54.91 53.21 1ttt h ALA 175 Cb 1.20 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1ttt h ALA 175 CO 0.60 1.50 0.10 1.25 0.00 0.00 0.00 179.25 182.71 1ttt h LEU 176 N 0.02 0.12 0.21 0.00 5.85 -1.93 -2.08 115.31 117.50 1ttt h LEU 176 Ca -0.30 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1ttt h LEU 176 Cb 2.01 0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1ttt h LEU 176 CO 0.09 0.11 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.12 1ttt h LEU 177 N 0.23 -0.24 -1.43 2.25 4.07 -1.98 -2.60 115.31 115.61 1ttt h LEU 177 Ca 0.12 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1ttt h LEU 177 Cb 0.08 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1ttt h LEU 177 CO -0.12 0.01 0.08 0.00 -1.08 0.00 0.00 178.44 177.33 1ttt h ALA 178 N 0.24 1.55 -0.16 1.53 0.00 -1.48 -0.70 119.26 120.25 1ttt h ALA 178 Ca -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ttt h ALA 178 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ttt h ALA 178 CO 0.05 0.34 0.08 1.25 0.00 0.00 0.00 179.25 180.97 1ttt h LEU 179 N 0.45 0.13 -0.11 0.00 5.85 -1.34 -0.24 115.31 120.06 1ttt h LEU 179 Ca 0.11 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1ttt h LEU 179 Cb 0.17 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1ttt h LEU 179 CO -0.00 0.10 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.57 1ttt h GLU 180 N 0.18 -0.37 -0.48 1.25 5.08 -1.02 0.22 114.58 119.45 1ttt h GLU 180 Ca 0.06 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1ttt h GLU 180 Cb 0.00 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1ttt h GLU 180 CO -0.03 -0.24 -0.37 1.49 -1.00 0.00 0.00 179.01 178.85 1ttt h GLU 181 N -0.38 -0.24 0.00 2.33 4.57 -0.46 0.85 114.58 121.26 1ttt h GLU 181 Ca 0.09 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1ttt h GLU 181 Cb 0.52 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1ttt h GLU 181 CO -0.32 -0.16 0.00 0.52 -1.18 0.00 0.00 179.01 177.87 1ttt h MET 182 N -0.25 0.00 0.19 1.92 2.86 -0.16 0.74 114.93 120.23 1ttt h MET 182 Ca 0.18 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.56 1ttt h MET 182 Cb 0.56 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.24 1ttt h MET 182 CO -0.61 0.00 -1.19 0.45 1.06 0.00 0.00 176.91 176.62 1ttt h HIS 183 N 0.00 0.72 -0.33 -0.22 3.86 0.26 -0.62 115.15 118.81 1ttt h HIS 183 Ca 0.00 -0.52 -0.01 0.00 -1.16 0.00 0.00 60.37 58.68 1ttt h HIS 183 Cb 0.17 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1ttt h HIS 183 CO 0.00 1.46 0.18 0.87 0.86 0.00 0.00 177.93 181.30 1ttt h LYS 184 N -0.14 0.46 -0.91 2.45 1.57 0.19 -3.41 116.57 116.79 1ttt h LYS 184 Ca -0.22 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1ttt h LYS 184 Cb 1.89 -0.09 -0.20 0.00 0.08 0.00 0.00 32.23 33.90 1ttt h LYS 184 CO 0.19 0.39 -0.36 0.54 -0.57 0.00 0.00 179.45 179.64 1ttt s ASN 185 N -5.63 -1.46 0.62 0.86 2.20 0.23 -4.97 114.94 106.79 1ttt s ASN 185 Ca -0.13 -0.10 0.09 0.00 -0.94 0.00 0.00 52.86 51.78 1ttt s ASN 185 Cb 0.09 1.89 0.30 0.00 -2.00 0.00 0.00 41.25 41.54 1ttt s ASN 185 CO 0.72 -0.24 1.06 -0.81 -2.94 0.00 0.00 177.10 174.90 1ttt n PRO 186 N 5.06 0.02 -0.09 3.55 -0.05 -0.25 0.00 135.00 143.24 1ttt n PRO 186 Ca 0.07 0.94 0.10 0.00 -0.05 0.00 0.00 63.50 64.56 1ttt n PRO 186 Cb 0.55 -2.46 0.35 0.00 -0.05 0.00 0.00 33.50 31.89 1ttt n PRO 186 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1ttt n LYS 187 N -2.68 1.77 -1.64 0.54 5.02 -1.26 -4.44 118.16 115.47 1ttt n LYS 187 Ca 0.08 -1.16 -0.41 0.00 -2.02 0.00 0.00 58.31 54.79 1ttt n LYS 187 Cb 1.14 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.77 1ttt n LYS 187 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ttt n THR 188 N 0.39 2.48 -4.45 -0.18 -1.04 0.10 -4.99 114.28 106.58 1ttt n THR 188 Ca 0.16 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 1ttt n THR 188 Cb 0.34 -1.30 -0.11 0.00 -1.82 0.00 0.00 70.33 67.44 1ttt n THR 188 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ttt s LYS 189 N -2.07 1.65 0.59 -2.82 -0.14 -1.26 -4.72 119.74 110.98 1ttt s LYS 189 Ca 0.62 -1.91 -0.20 0.00 -1.36 0.00 0.00 55.97 53.12 1ttt s LYS 189 Cb -0.55 -0.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.69 1ttt s LYS 189 CO 0.57 -0.18 1.29 0.54 -0.76 0.00 0.00 175.35 176.81 1ttt n ARG 190 N -0.68 1.36 0.00 1.68 1.74 -1.26 -1.97 116.66 117.52 1ttt n ARG 190 Ca -0.02 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1ttt n ARG 190 Cb 0.66 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1ttt n ARG 190 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttt n GLY 191 N 0.89 2.27 0.18 -0.13 0.00 -1.26 -4.80 105.19 102.34 1ttt n GLY 191 Ca 0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 1ttt n GLY 191 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ttt h GLU 192 N 0.00 -0.02 -5.42 1.61 5.08 -1.81 -3.43 114.58 110.59 1ttt h GLU 192 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1ttt h GLU 192 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 1ttt h GLU 192 CO 0.00 -0.01 -0.81 1.21 -1.00 0.00 0.00 179.01 178.40 1ttt s ASN 193 N -5.21 1.77 0.05 1.42 3.84 -1.25 -5.03 114.94 110.53 1ttt s ASN 193 Ca -0.14 -0.41 -0.32 0.00 0.21 0.00 0.00 52.86 52.20 1ttt s ASN 193 Cb 0.15 -0.14 -0.18 0.00 -0.55 0.00 0.00 41.25 40.53 1ttt s ASN 193 CO 0.71 0.09 1.48 -0.08 -2.79 0.00 0.00 177.10 176.51 1ttt h GLU 194 N 5.16 -1.10 0.02 0.43 4.81 -1.97 0.82 114.58 122.76 1ttt h GLU 194 Ca -0.38 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1ttt h GLU 194 Cb 1.17 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 1ttt h GLU 194 CO 0.45 -0.73 -0.14 -1.49 -0.73 0.00 0.00 179.01 176.37 1ttt h TRP 195 N -1.14 -0.35 0.02 0.92 -0.00 -1.94 -1.81 115.95 111.65 1ttt h TRP 195 Ca -0.11 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.82 1ttt h TRP 195 Cb 0.88 0.15 -0.05 0.00 -0.00 0.00 0.00 29.16 30.15 1ttt h TRP 195 CO 0.02 -0.20 -0.29 0.28 -0.00 0.00 0.00 178.44 178.24 1ttt h VAL 196 N -0.24 0.35 -0.68 1.49 2.07 -1.87 -2.04 116.25 115.34 1ttt h VAL 196 Ca 0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.76 1ttt h VAL 196 Cb 0.29 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1ttt h VAL 196 CO -0.12 0.00 0.56 0.44 0.02 0.00 0.00 177.57 178.48 1ttt h ASP 197 N -0.45 0.00 -0.25 0.57 5.19 0.14 0.20 116.42 121.81 1ttt h ASP 197 Ca 0.06 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1ttt h ASP 197 Cb 0.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1ttt h ASP 197 CO -0.24 0.00 0.03 0.11 -3.12 0.00 0.00 179.24 176.02 1ttt h LYS 198 N 0.00 0.42 -0.97 3.56 1.79 -0.59 -1.14 116.57 119.65 1ttt h LYS 198 Ca 0.32 -0.12 0.13 0.00 -2.18 0.00 0.00 60.65 58.81 1ttt h LYS 198 Cb 1.45 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.97 1ttt h LYS 198 CO -0.00 0.56 0.61 0.82 -1.08 0.00 0.00 179.45 180.36 1ttt h ILE 199 N 0.22 0.87 -0.88 1.86 1.08 -0.94 1.25 117.51 120.98 1ttt h ILE 199 Ca 0.07 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1ttt h ILE 199 Cb 0.35 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 1ttt h ILE 199 CO 0.01 0.16 0.48 -0.50 -0.69 0.00 0.00 178.15 177.61 1ttt h TRP 200 N 0.87 1.21 -0.39 1.37 4.06 -1.12 0.35 115.95 122.31 1ttt h TRP 200 Ca 0.49 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.36 1ttt h TRP 200 Cb 0.60 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1ttt h TRP 200 CO -0.00 0.84 0.05 0.93 -3.56 0.00 0.00 178.44 176.70 1ttt h GLU 201 N 1.23 0.59 0.60 0.49 5.08 0.28 0.40 114.58 123.25 1ttt h GLU 201 Ca 0.31 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1ttt h GLU 201 Cb 0.03 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ttt h GLU 201 CO -0.05 0.58 -0.30 1.25 -1.00 0.00 0.00 179.01 179.49 1ttt h LEU 202 N 0.57 -0.70 -0.91 1.33 5.85 0.65 -0.23 115.31 121.86 1ttt h LEU 202 Ca 0.13 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.05 1ttt h LEU 202 Cb 0.29 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.34 1ttt h LEU 202 CO 0.00 -0.49 -0.26 0.18 -0.34 0.00 0.00 178.44 177.53 1ttt n LEU 203 N -4.21 -0.39 0.15 2.25 4.77 0.10 0.23 117.00 119.89 1ttt n LEU 203 Ca -0.10 1.58 -0.14 0.00 -0.03 0.00 0.00 56.01 57.32 1ttt n LEU 203 Cb 0.32 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1ttt n LEU 203 CO 0.24 -1.49 0.77 0.44 -1.33 0.00 0.00 177.39 176.03 1ttt h ASP 204 N 0.00 -0.35 -0.80 -1.43 5.19 0.06 0.72 116.42 119.81 1ttt h ASP 204 Ca 0.41 0.02 0.16 0.00 -0.62 0.00 0.00 57.03 57.01 1ttt h ASP 204 Cb 0.64 0.11 -0.10 0.00 0.18 0.00 0.00 39.33 40.15 1ttt h ASP 204 CO -0.93 -0.22 0.32 0.00 -3.12 0.00 0.00 179.24 175.29 1ttt h ALA 205 N 0.43 1.16 0.07 3.45 0.00 0.16 2.86 119.26 127.40 1ttt h ALA 205 Ca -0.02 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ttt h ALA 205 Cb 0.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ttt h ALA 205 CO 0.01 -0.24 -0.04 0.82 0.00 0.00 0.00 179.25 179.81 1ttt h ILE 206 N 0.44 0.96 0.46 0.00 2.04 -0.72 2.66 117.51 123.35 1ttt h ILE 206 Ca 0.45 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1ttt h ILE 206 Cb 0.73 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1ttt h ILE 206 CO -0.44 0.03 -0.22 0.44 0.00 0.00 0.00 178.15 177.95 1ttt h ASP 207 N -0.14 -0.52 -0.02 1.72 3.32 0.16 -3.10 116.42 117.83 1ttt h ASP 207 Ca -0.01 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1ttt h ASP 207 Cb 0.12 0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1ttt h ASP 207 CO 0.02 -0.37 -0.29 -0.33 -1.72 0.00 0.00 179.24 176.55 1ttt h GLU 208 N -0.63 0.23 0.10 3.56 4.39 0.54 -3.41 114.58 119.37 1ttt h GLU 208 Ca -0.06 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ttt h GLU 208 Cb 0.48 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1ttt h GLU 208 CO 0.10 0.91 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.90 1ttt h TYR 209 N -0.36 -0.13 -2.95 4.33 3.20 0.45 -3.41 116.97 118.10 1ttt h TYR 209 Ca -0.03 -0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.29 1ttt h TYR 209 Cb 1.00 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 1ttt h TYR 209 CO 0.16 0.37 1.06 0.42 -1.64 0.00 0.00 178.16 178.53 1ttt s ILE 210 N -3.70 3.86 0.97 1.81 1.01 -1.17 -4.99 121.20 119.00 1ttt s ILE 210 Ca -0.14 0.75 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 1ttt s ILE 210 Cb 0.01 -4.51 0.17 0.00 0.01 0.00 0.00 42.46 38.14 1ttt s ILE 210 CO 0.57 -1.20 1.10 -2.16 0.00 0.00 0.00 174.94 173.25 1ttt s PRO 211 N 5.32 0.66 0.09 2.79 0.04 -1.26 -4.73 135.00 137.90 1ttt s PRO 211 Ca 0.50 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.86 1ttt s PRO 211 Cb -0.10 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1ttt s PRO 211 CO 0.25 -2.59 0.72 0.99 0.04 0.00 0.00 177.00 176.42 1ttt s THR 212 N -2.99 4.60 0.17 1.26 2.01 -1.26 -5.00 115.64 114.43 1ttt s THR 212 Ca 0.65 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 1ttt s THR 212 Cb -0.18 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 1ttt s THR 212 CO 0.57 0.47 1.02 -2.16 -0.69 0.00 0.00 174.62 173.82 1ttt s PRO 213 N -0.68 4.69 -0.92 4.92 0.04 -1.26 -4.96 135.00 136.82 1ttt s PRO 213 Ca 0.35 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 1ttt s PRO 213 Cb -0.21 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.06 1ttt s PRO 213 CO 0.23 0.22 1.42 0.08 0.04 0.00 0.00 177.00 178.99 1ttt s VAL 214 N -0.37 3.84 1.00 -0.36 1.01 -1.26 -4.98 120.40 119.27 1ttt s VAL 214 Ca 0.47 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1ttt s VAL 214 Cb -0.27 -4.97 0.19 0.00 0.00 0.00 0.00 36.38 31.34 1ttt s VAL 214 CO 0.33 -1.87 1.17 -0.13 0.00 0.00 0.00 175.10 174.60 1ttt s ARG 215 N 5.31 0.41 -0.38 2.72 3.00 -1.26 -5.04 118.95 123.70 1ttt s ARG 215 Ca 0.44 0.04 0.01 0.00 0.00 0.00 0.00 55.73 56.22 1ttt s ARG 215 Cb -0.03 -1.78 0.12 0.00 0.00 0.00 0.00 34.95 33.26 1ttt s ARG 215 CO -0.02 -2.64 0.17 -0.51 0.00 0.00 0.00 175.30 172.30 1ttt s ASP 216 N -4.19 3.90 0.14 0.23 1.11 -1.26 -4.91 116.67 111.69 1ttt s ASP 216 Ca 0.68 -2.23 0.26 0.00 0.18 0.00 0.00 52.55 51.44 1ttt s ASP 216 Cb -0.11 -1.04 0.73 0.00 1.07 0.00 0.00 42.92 43.57 1ttt s ASP 216 CO 0.54 -0.33 1.66 0.52 1.18 0.00 0.00 175.17 178.74 1ttt n VAL 217 N 4.07 0.41 0.07 -1.27 0.31 -1.26 0.74 118.33 121.39 1ttt n VAL 217 Ca 0.04 -0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1ttt n VAL 217 Cb 0.38 -0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 1ttt n VAL 217 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ttt h ASP 218 N 0.00 0.09 -4.11 4.52 3.32 -1.91 -3.29 116.42 115.04 1ttt h ASP 218 Ca 0.00 -0.10 -0.50 0.00 0.02 0.00 0.00 57.03 56.46 1ttt h ASP 218 Cb 0.69 -0.03 0.16 0.00 0.22 0.00 0.00 39.33 40.37 1ttt h ASP 218 CO 0.00 1.08 0.24 -0.54 -1.72 0.00 0.00 179.24 178.30 1ttt s LYS 219 N -2.70 1.27 0.35 3.56 -0.14 -1.23 -4.82 119.74 116.03 1ttt s LYS 219 Ca -0.00 1.11 -0.29 0.00 -1.36 0.00 0.00 55.97 55.43 1ttt s LYS 219 Cb 0.09 -1.79 -0.11 0.00 -1.68 0.00 0.00 37.83 34.35 1ttt s LYS 219 CO 0.83 -2.32 1.50 -2.14 -0.76 0.00 0.00 175.35 172.47 1ttt s PRO 220 N -4.80 4.12 0.32 -1.68 0.02 -1.26 -2.23 135.00 129.49 1ttt s PRO 220 Ca 0.64 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.93 1ttt s PRO 220 Cb -0.20 -2.99 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 1ttt s PRO 220 CO 0.58 -0.54 1.39 0.34 -0.33 0.00 0.00 177.00 178.44 1ttt n PHE 221 N 0.89 2.47 -3.53 6.54 7.35 -1.25 -4.19 117.46 125.74 1ttt n PHE 221 Ca 0.03 0.47 -0.05 0.00 -0.76 0.00 0.00 57.45 57.13 1ttt n PHE 221 Cb 0.39 -2.47 -0.07 0.00 0.35 0.00 0.00 39.48 37.68 1ttt n PHE 221 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1ttt s LEU 222 N -0.90 -0.85 -0.09 -2.13 2.96 -1.03 -2.20 118.68 114.44 1ttt s LEU 222 Ca 0.59 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 55.42 1ttt s LEU 222 Cb -0.56 1.61 0.04 0.00 0.50 0.00 0.00 46.19 47.78 1ttt s LEU 222 CO 0.58 -0.25 0.04 0.00 -1.32 0.00 0.00 176.35 175.40 1ttt s MET 223 N 2.69 0.30 -0.05 1.98 0.23 0.23 0.09 119.30 124.76 1ttt s MET 223 Ca 0.03 0.12 -0.30 0.00 -1.03 0.00 0.00 55.69 54.51 1ttt s MET 223 Cb -0.13 -1.06 -0.03 0.00 -1.53 0.00 0.00 34.83 32.08 1ttt s MET 223 CO -0.16 -0.40 1.15 -2.14 -2.03 0.00 0.00 175.02 171.44 1ttt s PRO 224 N 2.05 4.38 0.15 3.16 0.02 -1.26 -0.52 135.00 142.99 1ttt s PRO 224 Ca 0.04 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.36 1ttt s PRO 224 Cb -0.13 -3.53 -0.08 0.00 0.02 0.00 0.00 34.50 30.77 1ttt s PRO 224 CO -0.05 -0.38 1.35 0.08 -0.33 0.00 0.00 177.00 177.67 1ttt s VAL 225 N 2.01 3.26 -0.04 3.83 1.01 0.15 -4.11 120.40 126.53 1ttt s VAL 225 Ca 0.54 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1ttt s VAL 225 Cb -0.24 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1ttt s VAL 225 CO 0.22 0.11 0.11 1.21 0.00 0.00 0.00 175.10 176.75 1ttt n GLU 226 N 3.34 1.32 -3.64 2.72 0.00 -0.28 -2.34 120.64 121.77 1ttt n GLU 226 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 57.16 57.15 1ttt n GLU 226 Cb 0.43 -1.19 -0.02 0.00 0.00 0.00 0.00 31.44 30.66 1ttt n GLU 226 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ttt s ASP 227 N -3.33 -0.25 -0.15 4.31 -1.08 -1.01 -4.81 116.67 110.35 1ttt s ASP 227 Ca -0.03 -0.21 -0.06 0.00 -0.52 0.00 0.00 52.55 51.73 1ttt s ASP 227 Cb 0.04 0.42 0.07 0.00 -1.46 0.00 0.00 42.92 41.99 1ttt s ASP 227 CO 0.32 -0.74 0.31 -0.69 0.52 0.00 0.00 175.17 174.89 1ttt s VAL 228 N -3.15 -0.35 0.42 1.11 1.01 -1.26 -1.50 120.40 116.68 1ttt s VAL 228 Ca 0.09 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1ttt s VAL 228 Cb -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1ttt s VAL 228 CO -0.03 0.09 0.03 -0.36 0.00 0.00 0.00 175.10 174.83 1ttt s PHE 229 N 2.11 2.16 -0.19 5.22 0.40 -0.17 -4.97 117.98 122.54 1ttt s PHE 229 Ca -0.03 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1ttt s PHE 229 Cb -0.11 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.90 1ttt s PHE 229 CO -0.10 0.22 -0.08 0.99 0.70 0.00 0.00 175.22 176.95 1ttt s THR 230 N -2.93 1.45 -0.12 0.64 2.01 -1.26 -0.28 115.64 115.15 1ttt s THR 230 Ca 0.27 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1ttt s THR 230 Cb 0.07 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1ttt s THR 230 CO 0.13 0.11 0.09 -0.63 -0.69 0.00 0.00 174.62 173.62 1ttt s ILE 231 N 1.47 5.04 0.21 1.82 -1.09 0.48 -4.99 121.20 124.15 1ttt s ILE 231 Ca -0.01 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.14 1ttt s ILE 231 Cb -0.16 -3.18 -0.08 0.00 -1.58 0.00 0.00 42.46 37.45 1ttt s ILE 231 CO -0.08 0.60 1.15 -0.89 -1.23 0.00 0.00 174.94 174.49 1ttt s THR 232 N -0.83 3.62 0.00 2.92 2.01 -1.26 -0.85 115.64 121.25 1ttt s THR 232 Ca 0.13 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.57 1ttt s THR 232 Cb -0.12 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1ttt s THR 232 CO 0.03 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1ttt n GLY 233 N 1.87 1.30 1.11 4.40 0.00 -1.26 -4.72 105.19 107.88 1ttt n GLY 233 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ttt n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttt n ARG 234 N -2.00 0.00 0.00 1.61 5.12 -1.17 -5.17 116.66 115.05 1ttt n ARG 234 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ttt n ARG 234 Cb 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 1ttt n ARG 234 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ttt n GLY 235 N 3.30 -0.42 3.31 -0.13 0.00 -0.03 -5.00 105.19 106.22 1ttt n GLY 235 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1ttt n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ttt s THR 236 N -3.02 3.94 -0.12 2.61 2.01 -1.26 -0.39 115.64 119.40 1ttt s THR 236 Ca 0.00 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1ttt s THR 236 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1ttt s THR 236 CO 0.00 -0.09 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.12 1ttt s VAL 237 N 1.45 4.01 -0.15 3.82 1.01 0.62 -1.13 120.40 130.03 1ttt s VAL 237 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ttt s VAL 237 Cb -0.19 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1ttt s VAL 237 CO 0.03 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 1ttt s ALA 238 N -0.22 2.76 0.15 5.51 0.00 0.28 -1.00 121.76 129.24 1ttt s ALA 238 Ca 0.04 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1ttt s ALA 238 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1ttt s ALA 238 CO 0.02 0.12 0.12 0.95 0.00 0.00 0.00 175.76 176.98 1ttt s THR 239 N 0.55 4.48 -1.34 0.00 -4.23 -0.56 0.08 115.64 114.61 1ttt s THR 239 Ca -0.06 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1ttt s THR 239 Cb -0.15 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1ttt s THR 239 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1ttt n GLY 240 N -0.18 -1.57 3.23 3.99 0.00 -0.93 -1.12 105.19 108.62 1ttt n GLY 240 Ca -0.08 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1ttt n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ttt s ARG 241 N -1.91 3.22 0.05 1.61 3.00 -1.26 -1.75 118.95 121.90 1ttt s ARG 241 Ca 0.00 -0.71 -0.32 0.00 -1.00 0.00 0.00 55.73 53.70 1ttt s ARG 241 Cb 0.00 -2.83 -0.11 0.00 0.00 0.00 0.00 34.95 32.01 1ttt s ARG 241 CO 0.00 -0.20 1.86 -0.89 0.00 0.00 0.00 175.30 176.07 1ttt n ILE 242 N 4.72 0.49 -0.01 4.11 5.41 -0.32 -4.25 119.36 129.51 1ttt n ILE 242 Ca -0.19 -0.09 -0.16 0.00 1.00 0.00 0.00 62.75 63.31 1ttt n ILE 242 Cb 0.50 -2.05 -0.11 0.00 -0.71 0.00 0.00 39.64 37.28 1ttt n ILE 242 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1ttt h GLU 243 N 8.97 0.35 -3.15 0.38 4.57 -0.71 -1.12 114.58 123.86 1ttt h GLU 243 Ca -0.48 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.35 1ttt h GLU 243 Cb 1.24 0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 29.82 1ttt h GLU 243 CO 0.94 1.02 0.12 -0.98 -1.18 0.00 0.00 179.01 178.93 1ttt s ARG 244 N -3.30 1.39 4.77 1.92 1.70 -1.16 -4.68 118.95 119.60 1ttt s ARG 244 Ca -0.14 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 1ttt s ARG 244 Cb 0.03 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 1ttt s ARG 244 CO 0.79 -0.60 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 1ttt n GLY 245 N -0.37 1.69 3.75 3.88 0.00 0.23 -2.46 105.19 111.91 1ttt n GLY 245 Ca -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1ttt n GLY 245 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ttt n LYS 246 N 7.29 0.78 -3.64 1.61 2.85 -1.26 -1.49 118.16 124.30 1ttt n LYS 246 Ca 0.00 -1.67 -0.15 0.00 -1.05 0.00 0.00 58.31 55.44 1ttt n LYS 246 Cb 0.00 2.19 -0.07 0.00 -0.65 0.00 0.00 35.03 36.50 1ttt n LYS 246 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1ttt s VAL 247 N -2.08 0.03 0.04 0.58 -7.23 -0.61 -4.69 120.40 106.43 1ttt s VAL 247 Ca 0.20 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 60.09 1ttt s VAL 247 Cb -0.03 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 1ttt s VAL 247 CO 0.07 -0.15 -0.00 -1.59 -0.31 0.00 0.00 175.10 173.12 1ttt s LYS 248 N -1.45 0.50 0.33 4.82 0.00 -1.26 -0.15 119.74 122.53 1ttt s LYS 248 Ca -0.11 -0.90 -0.27 0.00 0.00 0.00 0.00 55.97 54.69 1ttt s LYS 248 Cb -0.02 0.18 -0.13 0.00 0.00 0.00 0.00 37.83 37.85 1ttt s LYS 248 CO 0.06 -0.10 1.01 0.28 0.00 0.00 0.00 175.35 176.60 1ttt n VAL 249 N 0.79 2.09 0.00 1.79 0.31 -1.26 -0.06 118.33 121.98 1ttt n VAL 249 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1ttt n VAL 249 Cb 0.58 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1ttt n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ttt n GLY 250 N 1.20 3.00 3.77 2.92 0.00 0.79 -4.95 105.19 111.92 1ttt n GLY 250 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ttt n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ttt s ASP 251 N -1.30 4.60 -0.11 1.61 1.01 0.91 -4.65 116.67 118.73 1ttt s ASP 251 Ca 0.00 1.87 0.01 0.00 0.71 0.00 0.00 52.55 55.14 1ttt s ASP 251 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1ttt s ASP 251 CO 0.00 -1.98 -0.15 -0.70 0.21 0.00 0.00 175.17 172.55 1ttt s GLU 252 N -4.72 3.21 0.32 8.23 2.12 -1.26 0.19 118.70 126.79 1ttt s GLU 252 Ca 0.63 -0.73 0.08 0.00 0.36 0.00 0.00 54.97 55.31 1ttt s GLU 252 Cb -0.18 -2.53 -0.06 0.00 0.26 0.00 0.00 34.13 31.61 1ttt s GLU 252 CO 0.53 0.26 -0.06 0.14 -0.54 0.00 0.00 175.26 175.59 1ttt s VAL 253 N 0.21 1.94 -0.15 3.70 -7.23 1.36 -4.56 120.40 115.67 1ttt s VAL 253 Ca -0.10 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 57.86 1ttt s VAL 253 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1ttt s VAL 253 CO 0.06 -0.21 0.10 -0.70 -0.31 0.00 0.00 175.10 174.04 1ttt s GLU 254 N -3.68 3.65 -0.59 4.82 2.12 0.41 -0.07 118.70 125.37 1ttt s GLU 254 Ca 0.32 -0.24 -0.18 0.00 0.36 0.00 0.00 54.97 55.23 1ttt s GLU 254 Cb 0.04 -3.19 0.11 0.00 0.26 0.00 0.00 34.13 31.36 1ttt s GLU 254 CO 0.15 0.56 0.65 0.42 -0.54 0.00 0.00 175.26 176.49 1ttt s ILE 255 N -0.41 4.96 0.02 -3.70 1.01 0.10 -0.13 121.20 123.06 1ttt s ILE 255 Ca 0.11 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1ttt s ILE 255 Cb -0.12 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1ttt s ILE 255 CO 0.02 -1.05 0.16 -0.69 0.00 0.00 0.00 174.94 173.37 1ttt s VAL 256 N 2.29 5.18 0.00 2.92 1.01 0.34 -2.22 120.40 129.92 1ttt s VAL 256 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1ttt s VAL 256 Cb -0.25 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ttt s VAL 256 CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1ttt n GLY 257 N 0.75 -2.02 2.72 4.51 0.00 -1.26 -1.32 105.19 108.56 1ttt n GLY 257 Ca -0.09 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 1ttt n GLY 257 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ttt n LEU 258 N -2.25 0.59 -3.49 0.99 4.77 0.49 -4.81 117.00 113.30 1ttt n LEU 258 Ca 0.00 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1ttt n LEU 258 Cb 0.00 -2.02 -0.02 0.00 -2.33 0.00 0.00 43.42 39.05 1ttt n LEU 258 CO 0.00 -0.75 0.49 0.00 -1.33 0.00 0.00 177.39 175.80 1ttt s ALA 259 N -1.37 -1.63 0.00 -1.18 0.00 -1.26 -4.93 121.76 111.39 1ttt s ALA 259 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1ttt s ALA 259 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1ttt s ALA 259 CO 0.00 -0.78 0.45 -0.35 0.00 0.00 0.00 175.76 175.08 1ttt n PRO 260 N -0.36 0.00 -4.56 0.00 -0.04 -1.26 -4.55 135.00 124.23 1ttt n PRO 260 Ca -0.13 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 1ttt n PRO 260 Cb 0.64 -0.95 -0.11 0.00 -0.04 0.00 0.00 33.50 33.04 1ttt n PRO 260 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ttt s GLU 261 N -0.89 2.75 0.36 0.54 0.41 -1.26 -5.03 118.70 115.58 1ttt s GLU 261 Ca 0.00 -0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 53.73 1ttt s GLU 261 Cb 0.00 -2.61 -0.09 0.00 -1.78 0.00 0.00 34.13 29.65 1ttt s GLU 261 CO 0.00 0.66 1.24 0.95 -0.49 0.00 0.00 175.26 177.62 1ttt s THR 262 N -0.86 2.89 0.38 3.63 -4.23 -1.26 -5.00 115.64 111.20 1ttt s THR 262 Ca 0.13 0.84 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 1ttt s THR 262 Cb -0.11 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1ttt s THR 262 CO 0.03 0.15 0.30 -0.60 -0.54 0.00 0.00 174.62 173.96 1ttt s ARG 263 N -2.00 2.52 0.06 3.99 3.52 -0.94 -4.93 118.95 121.17 1ttt s ARG 263 Ca 0.53 -1.51 0.06 0.00 -0.13 0.00 0.00 55.73 54.68 1ttt s ARG 263 Cb -0.36 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1ttt s ARG 263 CO 0.47 -0.06 -0.17 0.15 -0.81 0.00 0.00 175.30 174.88 1ttt s LYS 264 N -4.03 1.02 0.23 5.12 1.02 -1.26 0.01 119.74 121.86 1ttt s LYS 264 Ca 0.44 -0.93 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 1ttt s LYS 264 Cb -0.03 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.21 1ttt s LYS 264 CO 0.26 0.26 0.63 0.99 -0.92 0.00 0.00 175.35 176.57 1ttt s THR 265 N -1.03 0.01 -0.17 2.17 2.01 0.89 -4.97 115.64 114.54 1ttt s THR 265 Ca 0.03 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 1ttt s THR 265 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1ttt s THR 265 CO 0.02 -0.03 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.23 1ttt s VAL 266 N -3.89 4.10 0.25 3.82 1.01 -1.26 0.41 120.40 124.84 1ttt s VAL 266 Ca 0.10 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1ttt s VAL 266 Cb -0.03 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 1ttt s VAL 266 CO 0.01 0.47 1.13 0.54 0.00 0.00 0.00 175.10 177.25 1ttt s VAL 267 N 0.53 3.52 -0.02 2.92 0.11 0.50 -1.45 120.40 126.51 1ttt s VAL 267 Ca -0.01 1.44 0.03 0.00 -2.93 0.00 0.00 61.98 60.51 1ttt s VAL 267 Cb -0.14 -3.92 0.04 0.00 -1.53 0.00 0.00 36.38 30.84 1ttt s VAL 267 CO 0.02 0.31 0.84 0.35 -3.33 0.00 0.00 175.10 173.29 1ttt n THR 268 N 1.61 0.57 -3.61 5.04 -2.24 -0.57 0.28 114.28 115.36 1ttt n THR 268 Ca 0.01 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1ttt n THR 268 Cb 0.45 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1ttt n THR 268 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ttt s GLY 269 N -0.91 -0.31 -0.11 3.38 0.00 -1.25 -4.79 107.32 103.33 1ttt s GLY 269 Ca 0.05 2.22 -0.04 0.00 0.00 0.00 0.00 44.72 46.94 1ttt s GLY 269 CO 0.00 1.51 0.21 0.14 0.00 0.00 0.00 173.10 174.97 1ttt s VAL 270 N -0.26 -0.34 0.15 1.40 1.01 -1.25 -2.21 120.40 118.89 1ttt s VAL 270 Ca -0.01 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1ttt s VAL 270 Cb -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1ttt s VAL 270 CO -0.01 0.13 -0.04 -1.61 0.00 0.00 0.00 175.10 173.57 1ttt s GLU 271 N 2.36 1.02 -0.20 2.72 2.02 -0.95 -1.73 118.70 123.94 1ttt s GLU 271 Ca 0.02 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.51 1ttt s GLU 271 Cb -0.12 -0.34 0.09 0.00 0.10 0.00 0.00 34.13 33.85 1ttt s GLU 271 CO -0.07 -0.05 0.18 1.41 0.02 0.00 0.00 175.26 176.75 1ttt s MET 272 N -3.85 0.16 -0.46 1.61 -2.45 -0.18 -2.14 119.30 111.98 1ttt s MET 272 Ca 0.19 0.05 -0.29 0.00 -1.25 0.00 0.00 55.69 54.39 1ttt s MET 272 Cb 0.05 -1.38 0.04 0.00 1.25 0.00 0.00 34.83 34.79 1ttt s MET 272 CO 0.01 -0.70 0.64 0.72 1.05 0.00 0.00 175.02 176.74 1ttt n HIS 273 N 5.30 -2.97 -1.77 4.11 8.25 -1.26 -1.06 115.22 125.83 1ttt n HIS 273 Ca -0.06 1.22 -0.04 0.00 -0.26 0.00 0.00 57.72 58.58 1ttt n HIS 273 Cb 0.49 -2.68 -0.01 0.00 1.12 0.00 0.00 29.99 28.91 1ttt n HIS 273 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ttt n ARG 274 N -0.34 -1.88 -4.52 -0.41 1.74 -1.26 -4.90 116.66 105.08 1ttt n ARG 274 Ca -0.02 0.22 -0.25 0.00 -0.77 0.00 0.00 57.85 57.03 1ttt n ARG 274 Cb 0.60 -4.51 -0.17 0.00 -1.02 0.00 0.00 32.46 27.37 1ttt n ARG 274 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ttt s LYS 275 N -3.62 1.72 0.35 5.56 1.02 -0.22 -0.26 119.74 124.30 1ttt s LYS 275 Ca 0.00 -0.41 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 1ttt s LYS 275 Cb 0.00 -1.45 -0.13 0.00 -0.52 0.00 0.00 37.83 35.73 1ttt s LYS 275 CO 0.00 -0.00 0.84 2.41 -0.92 0.00 0.00 175.35 177.67 1ttt n THR 276 N 3.94 2.05 -4.28 2.17 -1.04 -0.71 -1.01 114.28 115.39 1ttt n THR 276 Ca -0.22 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.12 1ttt n THR 276 Cb 0.52 -0.83 -0.15 0.00 -1.82 0.00 0.00 70.33 68.05 1ttt n THR 276 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ttt s LEU 277 N 0.77 2.00 0.01 -4.42 2.96 -0.70 -3.28 118.68 116.01 1ttt s LEU 277 Ca 0.62 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 54.23 1ttt s LEU 277 Cb -0.65 -0.39 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1ttt s LEU 277 CO 0.58 0.09 0.97 1.56 -1.32 0.00 0.00 176.35 178.23 1ttt h GLN 278 N 5.98 -0.56 -3.59 1.98 1.08 -1.87 -3.42 115.11 114.71 1ttt h GLN 278 Ca -0.30 0.04 -0.30 0.00 -1.45 0.00 0.00 58.65 56.64 1ttt h GLN 278 Cb 1.18 0.13 -0.33 0.00 -0.05 0.00 0.00 27.48 28.41 1ttt h GLN 278 CO 0.50 -0.37 -0.73 -2.00 -0.95 0.00 0.00 178.83 175.27 1ttt s GLU 279 N -3.81 0.04 0.14 1.46 2.12 -1.26 -4.11 118.70 113.29 1ttt s GLU 279 Ca -0.08 0.14 -0.21 0.00 0.36 0.00 0.00 54.97 55.18 1ttt s GLU 279 Cb 0.01 -0.27 -0.07 0.00 0.26 0.00 0.00 34.13 34.05 1ttt s GLU 279 CO 0.25 -0.14 0.67 0.20 -0.54 0.00 0.00 175.26 175.70 1ttt s GLY 280 N 0.94 2.72 0.38 -1.50 0.00 0.79 -4.91 107.32 105.74 1ttt s GLY 280 Ca -0.08 0.15 0.04 0.00 0.00 0.00 0.00 44.72 44.84 1ttt s GLY 280 CO -0.02 0.58 0.05 -0.26 0.00 0.00 0.00 173.10 173.44 1ttt s ILE 281 N -1.24 1.37 -0.58 0.90 -4.36 -1.26 -1.58 121.20 114.44 1ttt s ILE 281 Ca 0.35 -2.00 -0.40 0.00 -0.26 0.00 0.00 60.65 58.34 1ttt s ILE 281 Cb -0.20 -2.75 -0.18 0.00 1.25 0.00 0.00 42.46 40.58 1ttt s ILE 281 CO 0.22 0.00 2.27 0.00 0.24 0.00 0.00 174.94 177.67 1ttt n ALA 282 N -0.85 0.37 0.00 2.27 0.00 -0.56 0.99 120.51 122.72 1ttt n ALA 282 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ttt n ALA 282 Cb 0.67 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1ttt n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ttt n GLY 283 N 7.12 1.44 3.75 0.00 0.00 -0.42 -4.87 105.19 112.21 1ttt n GLY 283 Ca 0.55 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 1ttt n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ttt s ASP 284 N -1.78 7.32 -0.76 1.61 1.01 0.28 -4.74 116.67 119.60 1ttt s ASP 284 Ca 0.00 1.57 -0.19 0.00 0.71 0.00 0.00 52.55 54.65 1ttt s ASP 284 Cb 0.00 -2.50 0.13 0.00 1.01 0.00 0.00 42.92 41.55 1ttt s ASP 284 CO 0.00 0.04 0.90 0.21 0.21 0.00 0.00 175.17 176.53 1ttt s ASN 285 N -0.28 6.43 0.22 0.27 3.04 -1.26 -1.18 114.94 122.18 1ttt s ASN 285 Ca 0.40 -1.79 0.02 0.00 0.04 0.00 0.00 52.86 51.53 1ttt s ASN 285 Cb -0.22 -2.34 0.02 0.00 -1.54 0.00 0.00 41.25 37.17 1ttt s ASN 285 CO 0.25 -1.06 0.17 1.33 -3.04 0.00 0.00 177.10 174.75 1ttt n VAL 286 N 5.33 0.00 -3.66 -5.21 0.24 -0.72 -4.40 118.33 109.91 1ttt n VAL 286 Ca 0.07 -0.86 -0.17 0.00 -2.04 0.00 0.00 64.34 61.34 1ttt n VAL 286 Cb 0.46 -0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 32.35 1ttt n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ttt s GLY 287 N -2.61 0.03 -0.11 7.63 0.00 -0.91 -2.20 107.32 109.15 1ttt s GLY 287 Ca 0.13 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 1ttt s GLY 287 CO 0.08 1.75 0.01 1.08 0.00 0.00 0.00 173.10 176.02 1ttt s LEU 288 N 2.31 3.60 0.07 0.66 1.43 0.11 -2.23 118.68 124.62 1ttt s LEU 288 Ca 0.03 0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 1ttt s LEU 288 Cb -0.12 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 1ttt s LEU 288 CO -0.07 0.32 0.61 -0.22 0.23 0.00 0.00 176.35 177.23 1ttt s LEU 289 N -0.54 4.51 -0.12 1.79 2.96 -0.94 -0.55 118.68 125.78 1ttt s LEU 289 Ca 0.09 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.32 1ttt s LEU 289 Cb -0.12 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.62 1ttt s LEU 289 CO 0.02 0.22 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.34 1ttt s LEU 290 N -0.87 1.81 -0.61 -0.68 1.43 -0.28 -1.52 118.68 117.97 1ttt s LEU 290 Ca 0.31 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 1ttt s LEU 290 Cb -0.20 -1.19 -0.11 0.00 0.03 0.00 0.00 46.19 44.72 1ttt s LEU 290 CO 0.20 0.01 2.48 -1.14 0.23 0.00 0.00 176.35 178.13 1ttt n ARG 291 N 4.30 0.80 -3.13 1.70 0.63 -0.53 -3.66 116.66 116.77 1ttt n ARG 291 Ca -0.19 0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.61 1ttt n ARG 291 Cb 0.51 -2.96 0.07 0.00 0.45 0.00 0.00 32.46 30.53 1ttt n ARG 291 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttt n GLY 292 N 6.14 -0.82 2.94 5.14 0.00 -1.26 -4.60 105.19 112.73 1ttt n GLY 292 Ca 0.44 0.41 -0.20 0.00 0.00 0.00 0.00 46.02 46.66 1ttt n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ttt s VAL 293 N -3.35 0.67 0.74 1.61 -7.23 -1.24 -5.10 120.40 106.49 1ttt s VAL 293 Ca 0.32 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1ttt s VAL 293 Cb -0.04 -0.64 0.11 0.00 0.56 0.00 0.00 36.38 36.37 1ttt s VAL 293 CO 0.67 0.24 1.03 -0.94 -0.31 0.00 0.00 175.10 175.78 1ttt s SER 294 N 0.62 4.36 0.13 4.85 1.04 -1.26 -4.43 113.70 119.02 1ttt s SER 294 Ca -0.09 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 1ttt s SER 294 Cb -0.12 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1ttt s SER 294 CO 0.01 -1.86 1.72 -0.09 0.98 0.00 0.00 173.24 174.00 1ttt h ARG 295 N -0.66 0.08 -0.05 4.02 2.43 -1.94 0.22 114.38 118.49 1ttt h ARG 295 Ca -0.40 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1ttt h ARG 295 Cb 1.28 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1ttt h ARG 295 CO 0.46 0.06 0.50 0.93 -1.51 0.00 0.00 179.97 180.40 1ttt h GLU 296 N 0.09 0.00 -0.03 0.20 5.08 -2.02 -1.09 114.58 116.81 1ttt h GLU 296 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ttt h GLU 296 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ttt h GLU 296 CO -0.17 0.00 -0.04 0.39 -1.00 0.00 0.00 179.01 178.19 1ttt n GLU 297 N -2.88 2.21 -3.89 2.33 1.02 0.78 -4.88 120.64 115.33 1ttt n GLU 297 Ca -0.00 -1.82 -0.14 0.00 -0.02 0.00 0.00 57.16 55.18 1ttt n GLU 297 Cb 0.55 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1ttt n GLU 297 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ttt s VAL 298 N -2.04 0.05 0.16 2.62 1.01 -0.41 -4.94 120.40 116.85 1ttt s VAL 298 Ca 0.28 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1ttt s VAL 298 Cb 0.20 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.50 1ttt s VAL 298 CO 0.32 0.05 0.41 -1.83 0.00 0.00 0.00 175.10 174.05 1ttt s GLU 299 N 0.36 1.20 0.26 2.72 -1.05 -1.26 -4.83 118.70 116.10 1ttt s GLU 299 Ca -0.03 -0.90 -0.31 0.00 -0.15 0.00 0.00 54.97 53.58 1ttt s GLU 299 Cb -0.05 0.46 -0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1ttt s GLU 299 CO -0.01 -0.47 1.65 -2.13 0.95 0.00 0.00 175.26 175.25 1ttt n ARG 300 N -0.26 2.76 0.00 -4.83 0.63 -1.26 -0.97 116.66 112.73 1ttt n ARG 300 Ca -0.12 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1ttt n ARG 300 Cb 0.63 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.74 1ttt n ARG 300 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ttt n GLY 301 N 2.82 2.17 3.93 5.14 0.00 -0.99 -4.92 105.19 113.35 1ttt n GLY 301 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1ttt n GLY 301 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ttt s GLN 302 N -0.21 1.88 0.10 1.61 -2.07 -0.14 -4.47 119.66 116.36 1ttt s GLN 302 Ca 0.00 -0.23 0.05 0.00 -1.82 0.00 0.00 55.36 53.36 1ttt s GLN 302 Cb 0.00 -2.07 -0.03 0.00 -1.09 0.00 0.00 33.01 29.81 1ttt s GLN 302 CO 0.00 -1.52 -0.13 0.08 -1.32 0.00 0.00 175.29 172.40 1ttt s VAL 303 N -3.42 1.17 -0.10 3.63 1.01 -0.44 -0.67 120.40 121.58 1ttt s VAL 303 Ca 0.63 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1ttt s VAL 303 Cb -0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1ttt s VAL 303 CO 0.47 -0.38 -0.06 -0.76 0.00 0.00 0.00 175.10 174.37 1ttt s LEU 304 N -2.19 3.16 0.36 3.92 1.43 0.32 -0.51 118.68 125.17 1ttt s LEU 304 Ca 0.04 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1ttt s LEU 304 Cb -0.06 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.48 1ttt s LEU 304 CO 0.02 0.29 0.70 0.00 0.23 0.00 0.00 176.35 177.59 1ttt s ALA 305 N -0.37 -0.41 0.09 4.21 0.00 0.82 -0.60 121.76 125.50 1ttt s ALA 305 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1ttt s ALA 305 Cb -0.12 0.81 -0.08 0.00 0.00 0.00 0.00 23.12 23.73 1ttt s ALA 305 CO 0.02 -0.94 1.42 0.21 0.00 0.00 0.00 175.76 176.47 1ttt s LYS 306 N -2.66 4.30 0.18 0.00 2.20 -0.94 0.16 119.74 122.98 1ttt s LYS 306 Ca 0.19 2.09 -0.33 0.00 -0.36 0.00 0.00 55.97 57.55 1ttt s LYS 306 Cb -0.04 -3.33 -0.15 0.00 -1.51 0.00 0.00 37.83 32.81 1ttt s LYS 306 CO 0.13 -0.49 1.36 -2.30 -0.36 0.00 0.00 175.35 173.70 1ttt n PRO 307 N 4.31 1.65 -1.48 4.03 -0.02 -1.26 0.12 135.00 142.35 1ttt n PRO 307 Ca 0.12 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 62.02 1ttt n PRO 307 Cb 0.42 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1ttt n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttt n GLY 308 N 2.46 1.62 0.17 -1.23 0.00 -1.26 -4.81 105.19 102.13 1ttt n GLY 308 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1ttt n GLY 308 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ttt h SER 309 N 0.00 0.00 -4.55 1.61 4.64 0.59 -3.47 113.55 112.37 1ttt h SER 309 Ca -0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.79 1ttt h SER 309 Cb 1.18 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 1ttt h SER 309 CO 0.51 0.04 -0.68 -0.63 -0.87 0.00 0.00 176.83 175.20 1ttt s ILE 310 N -3.25 0.07 -0.22 0.95 1.01 -1.26 -5.02 121.20 113.47 1ttt s ILE 310 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1ttt s ILE 310 Cb 0.07 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 1ttt s ILE 310 CO 0.73 -0.31 0.04 0.42 0.00 0.00 0.00 174.94 175.82 1ttt s THR 311 N -0.94 4.22 0.75 2.92 -4.23 -1.26 -5.05 115.64 112.05 1ttt s THR 311 Ca -0.10 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1ttt s THR 311 Cb -0.06 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1ttt s THR 311 CO -0.00 0.38 1.11 -2.16 -0.54 0.00 0.00 174.62 173.41 1ttt s PRO 312 N 1.27 2.28 0.23 3.99 0.04 -1.26 -4.09 135.00 137.45 1ttt s PRO 312 Ca 0.04 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 1ttt s PRO 312 Cb -0.15 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1ttt s PRO 312 CO 0.03 -1.65 0.30 -1.01 0.04 0.00 0.00 177.00 174.71 1ttt s HIS 313 N -2.66 0.83 0.00 0.56 3.76 0.15 -4.71 115.29 113.23 1ttt s HIS 313 Ca 0.64 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1ttt s HIS 313 Cb -0.19 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.28 1ttt s HIS 313 CO 0.51 -0.82 0.00 0.25 -0.85 0.00 0.00 174.74 173.83 1ttt n THR 314 N -0.34 0.00 -4.40 1.30 -2.24 -1.00 -0.95 114.28 106.65 1ttt n THR 314 Ca 0.01 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 1ttt n THR 314 Cb 0.64 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.48 1ttt n THR 314 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ttt s LYS 315 N -1.31 1.45 -0.22 -0.78 1.02 -1.26 0.19 119.74 118.83 1ttt s LYS 315 Ca 0.00 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.27 1ttt s LYS 315 Cb 0.00 -1.87 0.16 0.00 -0.52 0.00 0.00 37.83 35.60 1ttt s LYS 315 CO 0.00 0.42 1.17 -0.59 -0.92 0.00 0.00 175.35 175.43 1ttt s PHE 316 N -1.34 -0.22 0.22 3.18 -0.71 -0.30 -0.60 117.98 118.20 1ttt s PHE 316 Ca 0.17 0.40 -0.21 0.00 -1.04 0.00 0.00 56.93 56.25 1ttt s PHE 316 Cb -0.09 0.47 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 1ttt s PHE 316 CO 0.08 -0.20 0.75 -2.00 -1.34 0.00 0.00 175.22 172.51 1ttt s GLU 317 N -0.95 4.32 -0.11 1.99 2.12 -0.45 -0.21 118.70 125.40 1ttt s GLU 317 Ca 0.03 0.95 -0.18 0.00 0.36 0.00 0.00 54.97 56.14 1ttt s GLU 317 Cb -0.01 -2.93 0.04 0.00 0.26 0.00 0.00 34.13 31.49 1ttt s GLU 317 CO -0.03 0.41 0.45 0.00 -0.54 0.00 0.00 175.26 175.54 1ttt s ALA 318 N -1.47 -1.12 -0.43 6.30 0.00 -0.15 -0.34 121.76 124.55 1ttt s ALA 318 Ca 0.42 1.03 -0.24 0.00 0.00 0.00 0.00 51.96 53.17 1ttt s ALA 318 Cb -0.18 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1ttt s ALA 318 CO 0.22 -0.25 0.85 0.45 0.00 0.00 0.00 175.76 177.03 1ttt s SER 319 N -0.37 6.49 0.15 0.00 0.15 -0.84 -2.21 113.70 117.08 1ttt s SER 319 Ca -0.05 0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.79 1ttt s SER 319 Cb -0.03 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1ttt s SER 319 CO 0.03 -0.92 0.02 -0.69 1.20 0.00 0.00 173.24 172.87 1ttt s VAL 320 N 3.44 3.92 -0.25 4.45 1.01 -0.84 -2.56 120.40 129.57 1ttt s VAL 320 Ca 0.33 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1ttt s VAL 320 Cb -0.12 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.39 1ttt s VAL 320 CO 0.23 -0.05 0.01 -0.47 0.00 0.00 0.00 175.10 174.82 1ttt s TYR 321 N -1.61 2.08 -0.02 5.22 5.04 -0.88 -0.67 117.35 126.51 1ttt s TYR 321 Ca 0.27 -1.68 -0.25 0.00 -2.44 0.00 0.00 57.07 52.97 1ttt s TYR 321 Cb -0.10 -1.63 -0.04 0.00 0.35 0.00 0.00 41.96 40.54 1ttt s TYR 321 CO 0.19 -0.78 0.77 0.42 -1.34 0.00 0.00 175.55 174.81 1ttt s ILE 322 N 1.50 4.91 0.87 3.14 -1.09 -0.11 -1.72 121.20 128.70 1ttt s ILE 322 Ca 0.01 1.61 -0.12 0.00 -2.23 0.00 0.00 60.65 59.92 1ttt s ILE 322 Cb -0.18 -4.11 0.11 0.00 -1.58 0.00 0.00 42.46 36.70 1ttt s ILE 322 CO -0.11 0.27 1.09 -0.76 -1.23 0.00 0.00 174.94 174.21 1ttt s LEU 323 N 0.55 2.34 0.20 2.97 1.43 -0.37 -1.51 118.68 124.28 1ttt s LEU 323 Ca 0.40 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1ttt s LEU 323 Cb -0.19 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1ttt s LEU 323 CO 0.21 -2.46 0.39 -0.54 0.23 0.00 0.00 176.35 174.18 1ttt s LYS 324 N -5.00 3.52 0.24 1.70 1.02 -1.26 -1.92 119.74 118.04 1ttt s LYS 324 Ca 0.63 -0.33 -0.07 0.00 0.02 0.00 0.00 55.97 56.22 1ttt s LYS 324 Cb -0.17 -2.84 0.41 0.00 -0.52 0.00 0.00 37.83 34.71 1ttt s LYS 324 CO 0.56 0.41 1.66 -0.22 -0.92 0.00 0.00 175.35 176.84 1ttt h LYS 325 N 2.06 0.17 -0.98 1.68 3.64 -1.73 1.69 116.57 123.11 1ttt h LYS 325 Ca -0.48 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1ttt h LYS 325 Cb 1.19 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1ttt h LYS 325 CO 0.68 0.11 0.63 1.49 -2.27 0.00 0.00 179.45 180.09 1ttt h GLU 326 N 0.18 1.04 -0.28 1.90 4.81 -1.87 0.20 114.58 120.56 1ttt h GLU 326 Ca 0.39 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1ttt h GLU 326 Cb 0.66 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1ttt h GLU 326 CO -0.56 0.69 0.00 0.39 -0.73 0.00 0.00 179.01 178.80 1ttt n GLU 327 N -4.53 1.22 -0.07 1.92 1.02 0.55 -4.81 120.64 115.94 1ttt n GLU 327 Ca 0.16 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1ttt n GLU 327 Cb 0.25 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1ttt n GLU 327 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ttt n GLY 328 N 0.49 1.18 0.00 0.62 0.00 0.70 -4.73 105.19 103.44 1ttt n GLY 328 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ttt n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttt n GLY 329 N -2.00 -0.63 3.78 -0.02 0.00 0.39 -4.69 105.19 102.02 1ttt n GLY 329 Ca 0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1ttt n GLY 329 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttt s ARG 330 N 0.00 2.15 -0.09 1.61 0.52 -1.26 -4.40 118.95 117.48 1ttt s ARG 330 Ca 0.00 0.89 0.19 0.00 -0.52 0.00 0.00 55.73 56.28 1ttt s ARG 330 Cb 0.00 -1.91 0.41 0.00 0.52 0.00 0.00 34.95 33.97 1ttt s ARG 330 CO 0.00 -1.64 1.18 -2.39 0.02 0.00 0.00 175.30 172.48 1ttt n HIS 331 N -3.48 0.00 -3.80 -0.53 1.44 -1.26 -2.86 115.22 104.72 1ttt n HIS 331 Ca 0.08 -0.92 -0.09 0.00 -2.01 0.00 0.00 57.72 54.77 1ttt n HIS 331 Cb 0.55 -0.19 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 1ttt n HIS 331 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1ttt s THR 332 N -1.46 0.12 0.00 0.61 -4.23 -1.26 -4.98 115.64 104.45 1ttt s THR 332 Ca 0.34 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1ttt s THR 332 Cb 0.36 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1ttt s THR 332 CO -0.12 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1ttt n GLY 333 N -0.11 -0.41 3.73 3.99 0.00 -1.26 -4.24 105.19 106.89 1ttt n GLY 333 Ca -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 1ttt n GLY 333 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ttt s PHE 334 N 0.11 -0.19 0.34 1.61 -0.12 -0.68 -4.92 117.98 114.13 1ttt s PHE 334 Ca 0.00 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 56.83 1ttt s PHE 334 Cb 0.00 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1ttt s PHE 334 CO 0.00 -0.89 0.30 -0.06 -0.05 0.00 0.00 175.22 174.53 1ttt s PHE 335 N -3.44 1.75 0.13 3.49 0.08 -1.26 -0.23 117.98 118.51 1ttt s PHE 335 Ca 0.10 -1.66 -0.35 0.00 0.12 0.00 0.00 56.93 55.14 1ttt s PHE 335 Cb -0.02 -0.68 -0.16 0.00 -0.57 0.00 0.00 43.02 41.59 1ttt s PHE 335 CO 0.01 -0.91 1.33 2.41 -0.10 0.00 0.00 175.22 177.96 1ttt n THR 336 N -0.64 0.34 0.00 0.64 -1.04 -1.26 0.21 114.28 112.52 1ttt n THR 336 Ca 0.07 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ttt n THR 336 Cb 0.62 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1ttt n THR 336 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttt n GLY 337 N 2.46 1.48 3.67 3.41 0.00 -1.03 -5.01 105.19 110.17 1ttt n GLY 337 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ttt n GLY 337 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ttt s TYR 338 N -2.12 1.62 -0.41 1.61 5.04 0.13 -4.74 117.35 118.49 1ttt s TYR 338 Ca 0.00 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 1ttt s TYR 338 Cb 0.00 -4.16 0.14 0.00 0.35 0.00 0.00 41.96 38.29 1ttt s TYR 338 CO 0.00 -5.04 0.24 -0.98 -1.34 0.00 0.00 175.55 168.43 1ttt s ARG 339 N 3.99 1.00 0.71 4.97 1.70 -1.26 -1.18 118.95 128.87 1ttt s ARG 339 Ca 0.84 -1.78 -0.02 0.00 -0.47 0.00 0.00 55.73 54.30 1ttt s ARG 339 Cb -0.41 -1.89 0.11 0.00 -0.57 0.00 0.00 34.95 32.19 1ttt s ARG 339 CO 0.38 -1.20 0.99 -1.25 -1.08 0.00 0.00 175.30 173.14 1ttt s PRO 340 N 0.57 1.78 -0.09 3.89 0.04 -1.20 -4.72 135.00 135.26 1ttt s PRO 340 Ca 0.19 -0.94 -0.11 0.00 0.04 0.00 0.00 61.00 60.18 1ttt s PRO 340 Cb -0.21 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1ttt s PRO 340 CO -0.01 -1.39 0.26 -0.65 0.04 0.00 0.00 177.00 175.25 1ttt s GLN 341 N -5.15 3.83 -0.11 4.56 1.11 -0.63 -1.55 119.66 121.72 1ttt s GLN 341 Ca 0.65 0.09 -0.03 0.00 0.01 0.00 0.00 55.36 56.09 1ttt s GLN 341 Cb -0.06 -3.27 -0.03 0.00 -1.01 0.00 0.00 33.01 28.64 1ttt s GLN 341 CO 0.44 0.60 -0.01 -0.06 0.01 0.00 0.00 175.29 176.27 1ttt s PHE 342 N -0.62 3.12 -0.22 0.91 0.40 0.10 -2.25 117.98 119.41 1ttt s PHE 342 Ca 0.18 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.53 1ttt s PHE 342 Cb -0.14 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 1ttt s PHE 342 CO 0.07 0.31 -0.05 0.71 0.70 0.00 0.00 175.22 176.96 1ttt s TYR 343 N -0.46 2.96 -0.13 0.36 1.51 -0.33 0.11 117.35 121.36 1ttt s TYR 343 Ca 0.08 -1.03 -0.01 0.00 -1.01 0.00 0.00 57.07 55.11 1ttt s TYR 343 Cb -0.12 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1ttt s TYR 343 CO 0.02 -0.58 -0.04 -0.06 -1.11 0.00 0.00 175.55 173.78 1ttt s PHE 344 N 1.46 1.40 0.00 2.71 0.40 0.86 -1.72 117.98 123.09 1ttt s PHE 344 Ca 0.05 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1ttt s PHE 344 Cb -0.14 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1ttt s PHE 344 CO -0.04 -0.53 0.00 0.54 0.70 0.00 0.00 175.22 175.89 1ttt n ARG 345 N 4.96 0.00 -0.03 0.44 1.74 -1.26 -0.59 116.66 121.92 1ttt n ARG 345 Ca -0.11 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.05 1ttt n ARG 345 Cb 0.49 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.35 1ttt n ARG 345 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ttt n THR 346 N 0.00 0.07 -4.08 0.55 -2.24 -1.26 -4.79 114.28 102.54 1ttt n THR 346 Ca 0.00 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 1ttt n THR 346 Cb 0.00 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1ttt n THR 346 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ttt s THR 347 N -1.93 4.53 -0.03 4.28 2.01 0.24 -3.44 115.64 121.31 1ttt s THR 347 Ca 0.26 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1ttt s THR 347 Cb 0.12 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1ttt s THR 347 CO 0.20 0.19 -0.00 1.51 -0.69 0.00 0.00 174.62 175.82 1ttt s ASP 348 N -2.21 0.41 -0.12 3.53 -4.77 -1.25 -0.09 116.67 112.17 1ttt s ASP 348 Ca 0.27 -0.03 -0.12 0.00 -3.30 0.00 0.00 52.55 49.38 1ttt s ASP 348 Cb -0.12 -0.20 0.03 0.00 -1.09 0.00 0.00 42.92 41.54 1ttt s ASP 348 CO 0.20 -0.08 0.33 -0.69 0.70 0.00 0.00 175.17 175.62 1ttt s VAL 349 N 0.87 0.00 0.43 2.11 1.01 0.30 -4.87 120.40 120.24 1ttt s VAL 349 Ca -0.09 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1ttt s VAL 349 Cb -0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.70 1ttt s VAL 349 CO -0.01 -0.01 1.31 -0.89 0.00 0.00 0.00 175.10 175.49 1ttt s THR 350 N 0.09 2.53 0.01 3.92 2.01 -1.26 0.01 115.64 122.96 1ttt s THR 350 Ca -0.01 0.46 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 1ttt s THR 350 Cb -0.02 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.25 1ttt s THR 350 CO 0.01 0.06 0.37 -0.83 -0.69 0.00 0.00 174.62 173.53 1ttt s GLY 351 N -0.78 -0.22 -0.18 4.40 0.00 -0.60 -0.06 107.32 109.89 1ttt s GLY 351 Ca 0.59 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 45.51 1ttt s GLY 351 CO 0.49 0.09 0.26 0.14 0.00 0.00 0.00 173.10 174.08 1ttt s VAL 352 N -1.94 5.32 0.34 1.40 1.01 -0.67 -3.22 120.40 122.64 1ttt s VAL 352 Ca -0.09 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1ttt s VAL 352 Cb -0.02 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1ttt s VAL 352 CO 0.01 0.38 0.76 -0.69 0.00 0.00 0.00 175.10 175.56 1ttt s VAL 353 N 0.61 4.66 -0.28 2.92 1.01 -0.33 -2.24 120.40 126.75 1ttt s VAL 353 Ca 0.14 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 1ttt s VAL 353 Cb -0.13 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1ttt s VAL 353 CO 0.03 -0.23 0.20 -0.13 0.00 0.00 0.00 175.10 174.97 1ttt s ARG 354 N -3.09 0.24 0.61 2.72 1.81 -0.93 -2.48 118.95 117.83 1ttt s ARG 354 Ca 0.55 -0.32 -0.18 0.00 -1.72 0.00 0.00 55.73 54.06 1ttt s ARG 354 Cb -0.10 -0.98 -0.03 0.00 -0.45 0.00 0.00 34.95 33.39 1ttt s ARG 354 CO 0.18 -0.99 1.15 -0.51 -0.68 0.00 0.00 175.30 174.45 1ttt s LEU 355 N 2.22 3.58 0.80 2.53 1.43 -1.26 -2.30 118.68 125.68 1ttt s LEU 355 Ca 0.09 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 1ttt s LEU 355 Cb -0.15 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.57 1ttt s LEU 355 CO -0.33 -1.53 1.13 -2.16 0.23 0.00 0.00 176.35 173.68 1ttt s PRO 356 N -3.59 1.90 0.58 1.29 0.04 -1.26 -4.90 135.00 129.06 1ttt s PRO 356 Ca 0.72 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.96 1ttt s PRO 356 Cb -0.25 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1ttt s PRO 356 CO 0.34 -1.94 1.28 -1.14 0.04 0.00 0.00 177.00 175.58 1ttt s GLN 357 N -4.61 2.95 -0.35 4.56 0.74 -1.26 -1.25 119.66 120.44 1ttt s GLN 357 Ca 0.65 2.02 0.00 0.00 0.05 0.00 0.00 55.36 58.09 1ttt s GLN 357 Cb -0.21 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.86 1ttt s GLN 357 CO 0.54 -1.27 0.00 0.41 -0.55 0.00 0.00 175.29 174.41 1ttt n GLY 358 N 0.69 0.64 2.73 2.59 0.00 -1.26 -4.97 105.19 105.61 1ttt n GLY 358 Ca 0.13 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1ttt n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ttt s VAL 359 N -2.03 -0.29 -0.17 1.61 1.01 -0.38 -5.04 120.40 115.10 1ttt s VAL 359 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.91 1ttt s VAL 359 Cb 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 36.38 35.47 1ttt s VAL 359 CO 0.00 -0.24 0.15 -0.62 0.00 0.00 0.00 175.10 174.39 1ttt n GLU 360 N 5.31 0.68 -3.68 2.72 1.02 -1.26 -4.41 120.64 121.02 1ttt n GLU 360 Ca -0.06 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1ttt n GLU 360 Cb 0.49 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 1ttt n GLU 360 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ttt s MET 361 N -2.53 0.57 -0.13 3.49 0.23 -1.26 -4.62 119.30 115.05 1ttt s MET 361 Ca -0.18 0.85 -0.13 0.00 -1.03 0.00 0.00 55.69 55.21 1ttt s MET 361 Cb 0.07 0.17 -0.05 0.00 -1.53 0.00 0.00 34.83 33.50 1ttt s MET 361 CO 0.76 -0.12 0.29 0.08 -2.03 0.00 0.00 175.02 174.00 1ttt s VAL 362 N 0.90 5.29 0.21 5.16 1.01 0.68 -4.84 120.40 128.80 1ttt s VAL 362 Ca -0.05 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1ttt s VAL 362 Cb -0.05 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1ttt s VAL 362 CO -0.08 0.45 0.19 -0.04 0.00 0.00 0.00 175.10 175.63 1ttt s MET 363 N 0.01 2.98 0.07 2.72 -1.94 -1.26 -1.68 119.30 120.20 1ttt s MET 363 Ca 0.17 -0.94 -0.35 0.00 -1.71 0.00 0.00 55.69 52.87 1ttt s MET 363 Cb -0.13 -2.64 -0.14 0.00 2.01 0.00 0.00 34.83 33.92 1ttt s MET 363 CO 0.05 0.44 1.61 -2.30 -0.01 0.00 0.00 175.02 174.81 1ttt n PRO 364 N -0.85 1.90 0.00 2.03 -0.02 -1.26 -0.60 135.00 136.21 1ttt n PRO 364 Ca -0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ttt n PRO 364 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1ttt n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttt n GLY 365 N 3.50 3.37 3.80 -1.23 0.00 -0.57 -4.78 105.19 109.28 1ttt n GLY 365 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1ttt n GLY 365 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ttt s ASP 366 N -0.55 5.76 -0.57 1.61 1.01 0.23 -4.74 116.67 119.42 1ttt s ASP 366 Ca 0.00 1.86 -0.06 0.00 0.71 0.00 0.00 52.55 55.06 1ttt s ASP 366 Cb 0.00 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.54 1ttt s ASP 366 CO 0.00 -1.19 0.41 0.20 0.21 0.00 0.00 175.17 174.80 1ttt s ASN 367 N -2.66 5.55 0.00 0.27 0.01 -1.26 -0.93 114.94 115.92 1ttt s ASN 367 Ca 0.65 -2.43 0.00 0.00 -0.71 0.00 0.00 52.86 50.36 1ttt s ASN 367 Cb -0.17 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.56 1ttt s ASN 367 CO 0.36 -0.51 0.00 0.52 -1.51 0.00 0.00 177.10 175.95 1ttt n VAL 368 N 4.13 0.00 -3.65 1.60 0.31 0.16 -4.89 118.33 115.99 1ttt n VAL 368 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1ttt n VAL 368 Cb 0.40 -0.46 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 1ttt n VAL 368 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ttt s THR 369 N 1.73 0.00 0.00 2.52 2.01 -1.26 -1.98 115.64 118.66 1ttt s THR 369 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ttt s THR 369 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1ttt s THR 369 CO 0.00 0.00 0.00 2.22 -0.69 0.00 0.00 174.62 176.15 1ttt n PHE 370 N 2.96 -0.18 -4.21 4.92 1.16 -0.94 -4.19 117.46 116.99 1ttt n PHE 370 Ca -0.16 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.11 1ttt n PHE 370 Cb 0.57 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.35 1ttt n PHE 370 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ttt s THR 371 N -2.78 3.94 0.08 1.97 2.01 -0.97 -0.98 115.64 118.90 1ttt s THR 371 Ca 0.00 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1ttt s THR 371 Cb 0.00 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1ttt s THR 371 CO 0.00 0.21 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.23 1ttt s VAL 372 N -1.21 1.79 -0.27 3.82 1.01 0.71 -2.20 120.40 124.04 1ttt s VAL 372 Ca 0.23 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1ttt s VAL 372 Cb -0.12 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1ttt s VAL 372 CO 0.15 0.08 0.09 -0.70 0.00 0.00 0.00 175.10 174.72 1ttt s GLU 373 N -1.61 0.55 0.45 2.72 2.12 -0.95 -1.15 118.70 120.82 1ttt s GLU 373 Ca 0.08 -0.75 -0.22 0.00 0.36 0.00 0.00 54.97 54.44 1ttt s GLU 373 Cb -0.10 -1.81 -0.08 0.00 0.26 0.00 0.00 34.13 32.41 1ttt s GLU 373 CO 0.03 -0.90 1.08 -0.51 -0.54 0.00 0.00 175.26 174.42 1ttt s LEU 374 N 1.81 3.99 0.00 2.70 1.43 0.50 -1.66 118.68 127.44 1ttt s LEU 374 Ca 0.07 2.08 0.27 0.00 -1.03 0.00 0.00 54.13 55.51 1ttt s LEU 374 Cb -0.17 -4.34 1.51 0.00 0.03 0.00 0.00 46.19 43.21 1ttt s LEU 374 CO -0.24 -0.74 1.93 2.30 0.23 0.00 0.00 176.35 179.84 1ttt n ILE 375 N -0.54 0.06 -3.50 -0.59 -5.35 0.91 -4.73 119.36 105.62 1ttt n ILE 375 Ca 0.07 0.02 -0.16 0.00 -0.27 0.00 0.00 62.75 62.41 1ttt n ILE 375 Cb 0.50 -0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 37.76 1ttt n ILE 375 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1ttt s LYS 376 N -2.21 1.11 0.37 6.28 1.02 -1.26 -5.04 119.74 120.00 1ttt s LYS 376 Ca 0.35 0.01 -0.24 0.00 0.02 0.00 0.00 55.97 56.11 1ttt s LYS 376 Cb 0.18 0.52 -0.10 0.00 -0.52 0.00 0.00 37.83 37.91 1ttt s LYS 376 CO 0.34 -0.39 0.98 -1.25 -0.92 0.00 0.00 175.35 174.11 1ttt s PRO 377 N -1.98 4.36 0.11 -1.68 0.05 -1.24 -4.70 135.00 129.92 1ttt s PRO 377 Ca -0.07 1.32 -0.17 0.00 0.05 0.00 0.00 61.00 62.14 1ttt s PRO 377 Cb -0.00 -2.55 0.04 0.00 0.05 0.00 0.00 34.50 32.03 1ttt s PRO 377 CO 0.03 0.07 0.41 0.14 0.05 0.00 0.00 177.00 177.69 1ttt s VAL 378 N -1.78 0.07 -0.62 -0.36 -7.23 -0.12 0.18 120.40 110.54 1ttt s VAL 378 Ca 0.56 -0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 59.92 1ttt s VAL 378 Cb -0.17 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 1ttt s VAL 378 CO 0.22 -0.30 2.39 0.00 -0.31 0.00 0.00 175.10 177.09 1ttt s ALA 379 N -3.61 1.28 0.34 1.32 0.00 -1.26 0.34 121.76 120.17 1ttt s ALA 379 Ca 0.02 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.71 1ttt s ALA 379 Cb 0.01 -4.44 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 1ttt s ALA 379 CO -0.11 -5.03 0.19 -0.51 0.00 0.00 0.00 175.76 170.31 1ttt s LEU 380 N 13.11 3.36 -0.27 0.00 1.43 -1.26 -4.99 118.68 130.06 1ttt s LEU 380 Ca 0.94 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 1ttt s LEU 380 Cb -0.15 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.27 1ttt s LEU 380 CO 0.18 -0.33 0.73 -1.83 0.23 0.00 0.00 176.35 175.33 1ttt s GLU 381 N -3.90 0.79 0.85 1.70 -1.05 -1.26 -4.93 118.70 110.90 1ttt s GLU 381 Ca 0.39 1.03 -0.13 0.00 -0.15 0.00 0.00 54.97 56.11 1ttt s GLU 381 Cb -0.03 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 34.04 1ttt s GLU 381 CO 0.24 -0.11 0.76 0.39 0.95 0.00 0.00 175.26 177.49 1ttt n GLU 382 N 3.05 -0.03 0.00 -4.83 1.02 -1.26 -1.39 120.64 117.20 1ttt n GLU 382 Ca -0.15 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1ttt n GLU 382 Cb 0.56 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1ttt n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ttt n GLY 383 N 1.10 1.63 3.76 0.62 0.00 0.13 -4.93 105.19 107.52 1ttt n GLY 383 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ttt n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ttt s LEU 384 N 0.00 4.41 0.43 0.99 2.96 -0.49 -4.68 118.68 122.31 1ttt s LEU 384 Ca 0.00 2.67 0.01 0.00 -0.22 0.00 0.00 54.13 56.59 1ttt s LEU 384 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1ttt s LEU 384 CO 0.00 -0.58 0.64 -0.13 -1.32 0.00 0.00 176.35 174.96 1ttt s ARG 385 N -1.37 3.09 0.34 1.98 0.52 -1.26 0.97 118.95 123.21 1ttt s ARG 385 Ca 0.52 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 55.03 1ttt s ARG 385 Cb -0.40 -2.59 0.04 0.00 0.52 0.00 0.00 34.95 32.51 1ttt s ARG 385 CO 0.50 -0.21 0.72 -0.59 0.02 0.00 0.00 175.30 175.73 1ttt s PHE 386 N -2.50 0.14 -0.02 -0.53 -0.71 -0.43 -4.63 117.98 109.29 1ttt s PHE 386 Ca 0.48 -0.69 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1ttt s PHE 386 Cb -0.10 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 1ttt s PHE 386 CO 0.37 -1.39 -0.08 0.00 -1.34 0.00 0.00 175.22 172.78 1ttt s ALA 387 N -2.98 0.77 -0.19 1.99 0.00 -0.70 -2.44 121.76 118.21 1ttt s ALA 387 Ca 0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 1ttt s ALA 387 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1ttt s ALA 387 CO 0.11 0.13 0.09 0.42 0.00 0.00 0.00 175.76 176.51 1ttt s ILE 388 N 0.18 5.05 0.02 0.00 1.01 -0.81 -1.19 121.20 125.46 1ttt s ILE 388 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1ttt s ILE 388 Cb -0.08 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1ttt s ILE 388 CO 0.00 0.45 -0.04 -0.13 0.00 0.00 0.00 174.94 175.23 1ttt s ARG 389 N 0.39 0.33 -0.24 2.79 0.52 -0.96 0.11 118.95 121.88 1ttt s ARG 389 Ca 0.05 -0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 54.41 1ttt s ARG 389 Cb -0.12 0.04 0.07 0.00 0.52 0.00 0.00 34.95 35.46 1ttt s ARG 389 CO -0.01 -0.03 0.73 -2.00 0.02 0.00 0.00 175.30 174.01 1ttt s GLU 390 N -1.39 0.86 -1.01 3.54 -6.30 0.37 -1.60 118.70 113.16 1ttt s GLU 390 Ca -0.14 0.88 -0.17 0.00 -2.50 0.00 0.00 54.97 53.05 1ttt s GLU 390 Cb -0.09 0.42 0.02 0.00 0.00 0.00 0.00 34.13 34.47 1ttt s GLU 390 CO -0.01 -0.13 0.66 0.41 0.02 0.00 0.00 175.26 176.22 1ttt n GLY 391 N 2.42 -1.08 2.77 -1.50 0.00 -1.26 -1.32 105.19 105.22 1ttt n GLY 391 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1ttt n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ttt n GLY 392 N -1.84 0.35 3.29 -0.02 0.00 -1.26 -4.99 105.19 100.72 1ttt n GLY 392 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1ttt n GLY 392 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ttt s ARG 393 N -0.79 0.98 0.31 1.61 1.70 -0.44 -5.01 118.95 117.31 1ttt s ARG 393 Ca 0.00 -0.69 -0.24 0.00 -0.47 0.00 0.00 55.73 54.32 1ttt s ARG 393 Cb 0.00 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 1ttt s ARG 393 CO 0.00 -0.36 0.90 0.99 -1.08 0.00 0.00 175.30 175.75 1ttt s THR 394 N -3.52 4.29 0.00 4.99 2.01 -1.26 0.14 115.64 122.30 1ttt s THR 394 Ca 0.01 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.71 1ttt s THR 394 Cb 0.02 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1ttt s THR 394 CO -0.10 0.13 0.00 1.33 -0.69 0.00 0.00 174.62 175.29 1ttt n VAL 395 N 0.52 0.00 -3.95 3.82 0.24 0.29 -4.28 118.33 114.97 1ttt n VAL 395 Ca 0.01 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 1ttt n VAL 395 Cb 0.50 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 1ttt n VAL 395 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ttt n GLY 396 N 1.21 2.67 3.44 7.63 0.00 -0.71 -1.24 105.19 118.20 1ttt n GLY 396 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.43 1ttt n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ttt s ALA 397 N -2.47 -2.64 0.00 4.61 0.00 -0.70 -1.93 121.76 118.63 1ttt s ALA 397 Ca 0.20 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1ttt s ALA 397 Cb -0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1ttt s ALA 397 CO 0.15 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1ttt n GLY 398 N 4.76 2.83 3.13 0.00 0.00 -1.02 -2.07 105.19 112.82 1ttt n GLY 398 Ca -0.11 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 1ttt n GLY 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttt s VAL 399 N -2.72 0.07 -0.04 1.61 0.11 -1.06 -1.32 120.40 117.06 1ttt s VAL 399 Ca 0.00 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 1ttt s VAL 399 Cb 0.00 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1ttt s VAL 399 CO 0.00 -0.32 1.79 -0.69 -3.33 0.00 0.00 175.10 172.55 1ttt s VAL 400 N -1.22 3.37 -0.07 2.04 1.01 0.27 -1.98 120.40 123.82 1ttt s VAL 400 Ca -0.13 0.44 0.21 0.00 0.00 0.00 0.00 61.98 62.50 1ttt s VAL 400 Cb -0.07 -3.30 -0.32 0.00 0.00 0.00 0.00 36.38 32.70 1ttt s VAL 400 CO 0.02 -0.06 0.41 0.41 0.00 0.00 0.00 175.10 175.88 1ttt n THR 401 N 5.67 0.29 -3.62 3.92 -1.04 0.54 0.22 114.28 120.27 1ttt n THR 401 Ca 0.19 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.05 61.57 1ttt n THR 401 Cb 0.42 -0.10 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 1ttt n THR 401 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ttt s LYS 402 N -3.31 0.30 -0.17 -2.82 2.20 -0.99 -4.80 119.74 110.14 1ttt s LYS 402 Ca -0.08 0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.59 1ttt s LYS 402 Cb 0.12 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1ttt s LYS 402 CO 0.89 -0.09 0.02 0.42 -0.36 0.00 0.00 175.35 176.23 1ttt s ILE 403 N -0.85 4.38 -0.14 5.43 1.01 -1.26 -1.34 121.20 128.43 1ttt s ILE 403 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1ttt s ILE 403 Cb -0.01 -2.95 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 1ttt s ILE 403 CO -0.05 0.47 0.04 -0.07 0.00 0.00 0.00 174.94 175.34 1ttt h LEU 404 N 6.70 0.00 0.00 2.97 -0.00 -1.20 -3.48 115.31 120.31 1ttt h LEU 404 Ca -0.34 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 1ttt h LEU 404 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1ttt h LEU 404 CO 0.67 0.81 0.00 -0.62 -0.00 0.00 0.00 178.44 179.30