#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 -2.34 0.00 4.81 -1.26 -5.05 118.16 114.32 1ttt n LYS 2 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1ttt n LYS 2 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1ttt n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ttt n GLY 3 N 0.00 2.45 0.00 3.14 0.00 -1.26 -5.04 105.19 104.47 1ttt n GLY 3 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1ttt n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttt n GLU 4 N -1.37 3.73 -3.66 1.61 1.02 -1.26 -1.33 120.64 119.38 1ttt n GLU 4 Ca 0.03 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1ttt n GLU 4 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.64 1ttt n GLU 4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ttt s PHE 5 N 1.37 -0.89 -0.15 -0.32 2.19 -0.29 -4.08 117.98 115.80 1ttt s PHE 5 Ca 0.00 1.66 -0.04 0.00 0.33 0.00 0.00 56.93 58.88 1ttt s PHE 5 Cb 0.00 0.40 -0.03 0.00 -1.31 0.00 0.00 43.02 42.08 1ttt s PHE 5 CO 0.00 -0.51 -0.02 0.42 1.83 0.00 0.00 175.22 176.94 1ttt s ILE 6 N 2.58 4.07 0.06 3.12 -1.09 -1.26 -4.84 121.20 123.84 1ttt s ILE 6 Ca -0.03 -0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 57.88 1ttt s ILE 6 Cb -0.12 -2.79 -0.06 0.00 -1.58 0.00 0.00 42.46 37.91 1ttt s ILE 6 CO -0.14 0.50 0.65 -0.13 -1.23 0.00 0.00 174.94 174.58 1ttt s ARG 7 N 0.24 4.35 0.00 2.79 0.52 -1.26 -4.87 118.95 120.73 1ttt s ARG 7 Ca -0.01 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 1ttt s ARG 7 Cb -0.14 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1ttt s ARG 7 CO 0.02 0.49 0.00 0.25 0.02 0.00 0.00 175.30 176.08 1ttt n THR 8 N 2.19 0.00 -4.23 0.02 -2.24 -1.26 -5.12 114.28 103.63 1ttt n THR 8 Ca -0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1ttt n THR 8 Cb 0.50 0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 1ttt n THR 8 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ttt s LYS 9 N 0.00 1.14 0.59 -0.78 1.02 -1.26 -5.09 119.74 115.36 1ttt s LYS 9 Ca 0.00 -1.57 -0.17 0.00 0.02 0.00 0.00 55.97 54.25 1ttt s LYS 9 Cb 0.00 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 1ttt s LYS 9 CO 0.00 -0.21 1.09 -2.14 -0.92 0.00 0.00 175.35 173.16 1ttt s PRO 10 N -3.99 3.24 -0.09 -1.68 0.02 -1.26 -4.69 135.00 126.56 1ttt s PRO 10 Ca 0.28 1.38 -0.01 0.00 0.02 0.00 0.00 61.00 62.67 1ttt s PRO 10 Cb 0.07 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1ttt s PRO 10 CO 0.06 -0.89 -0.04 -1.58 -0.33 0.00 0.00 177.00 174.22 1ttt s HIS 11 N -2.19 3.03 -0.08 6.54 2.46 -1.26 -1.18 115.29 122.60 1ttt s HIS 11 Ca 0.67 0.04 -0.07 0.00 0.47 0.00 0.00 55.06 56.18 1ttt s HIS 11 Cb -0.19 -1.77 0.03 0.00 -0.13 0.00 0.00 32.58 30.51 1ttt s HIS 11 CO 0.33 0.33 0.22 0.08 -2.47 0.00 0.00 174.74 173.23 1ttt s VAL 12 N -0.68 -0.01 -0.15 0.89 1.01 -0.21 -4.84 120.40 116.41 1ttt s VAL 12 Ca 0.10 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1ttt s VAL 12 Cb -0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1ttt s VAL 12 CO 0.02 0.01 0.42 0.20 0.00 0.00 0.00 175.10 175.75 1ttt s ASN 13 N 0.37 6.57 0.00 3.32 0.01 -1.26 -2.60 114.94 121.35 1ttt s ASN 13 Ca -0.02 0.68 0.00 0.00 -0.71 0.00 0.00 52.86 52.81 1ttt s ASN 13 Cb -0.04 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.37 1ttt s ASN 13 CO -0.02 0.00 0.00 1.33 -1.51 0.00 0.00 177.10 176.91 1ttt n VAL 14 N 3.81 0.00 0.00 1.60 0.24 -0.24 -0.30 118.33 123.43 1ttt n VAL 14 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1ttt n VAL 14 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1ttt n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ttt n GLY 15 N 0.00 -0.26 3.51 7.63 0.00 -1.22 -1.38 105.19 113.48 1ttt n GLY 15 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1ttt n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ttt s THR 16 N -2.00 3.87 0.26 2.61 -4.23 -0.99 -0.92 115.64 114.24 1ttt s THR 16 Ca 0.00 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1ttt s THR 16 Cb 0.00 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1ttt s THR 16 CO 0.00 0.50 0.04 0.27 -0.54 0.00 0.00 174.62 174.90 1ttt s ILE 17 N 0.24 0.88 0.00 2.99 -4.36 -0.24 -2.64 121.20 118.07 1ttt s ILE 17 Ca -0.03 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1ttt s ILE 17 Cb -0.14 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1ttt s ILE 17 CO 0.03 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1ttt n GLY 18 N -0.48 3.60 3.28 6.27 0.00 -1.26 -0.53 105.19 116.08 1ttt n GLY 18 Ca -0.03 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.83 -2.27 -1.94 1.61 -0.00 -1.26 -4.42 115.22 105.11 1ttt n HIS 19 Ca 0.00 0.18 -0.42 0.00 0.46 0.00 0.00 57.72 57.95 1ttt n HIS 19 Cb 0.00 -1.65 -0.02 0.00 -0.12 0.00 0.00 29.99 28.19 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 -2.27 2.53 -0.93 3.57 0.11 -1.21 -2.59 120.40 119.62 1ttt s VAL 20 Ca 0.52 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1ttt s VAL 20 Cb -0.17 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1ttt s VAL 20 CO 0.71 0.05 0.00 -0.67 -3.33 0.00 0.00 175.10 171.86 1ttt n ASP 21 N 2.89 -4.85 0.00 3.54 2.03 -1.26 -4.87 116.55 114.03 1ttt n ASP 21 Ca 0.10 0.22 0.11 0.00 0.52 0.00 0.00 54.79 55.73 1ttt n ASP 21 Cb 0.39 -3.12 0.61 0.00 -0.72 0.00 0.00 41.12 38.28 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 -2.48 0.00 0.00 -0.67 8.25 -1.07 -4.83 115.22 114.42 1ttt n HIS 22 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1ttt n HIS 22 Cb 0.42 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.53 1.52 0.15 -1.41 0.00 -1.26 -4.45 105.19 100.27 1ttt n GLY 23 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 0.10 0.10 0.92 1.61 1.57 -1.89 -2.09 116.57 116.89 1ttt h LYS 24 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ttt h LYS 24 Cb 0.00 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ttt h LYS 24 CO 0.00 0.07 -0.44 1.15 -0.57 0.00 0.00 179.45 179.66 1ttt h THR 25 N 0.10 0.02 -0.64 -0.16 2.02 -1.96 -2.25 112.91 110.05 1ttt h THR 25 Ca 0.16 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.39 1ttt h THR 25 Cb 0.22 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 66.54 1ttt h THR 25 CO -0.26 0.00 -0.05 0.74 0.37 0.00 0.00 175.52 176.31 1ttt h THR 26 N -1.31 0.43 0.00 3.16 2.02 -1.97 0.50 112.91 115.74 1ttt h THR 26 Ca -0.13 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1ttt h THR 26 Cb 0.95 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ttt h THR 26 CO 0.21 0.01 -0.10 0.25 0.37 0.00 0.00 175.52 176.26 1ttt h LEU 27 N 0.07 0.00 -0.09 2.58 5.85 -1.37 0.28 115.31 122.64 1ttt h LEU 27 Ca 0.33 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 1ttt h LEU 27 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1ttt h LEU 27 CO -0.59 0.10 -0.32 0.74 -0.34 0.00 0.00 178.44 178.03 1ttt h THR 28 N 0.00 1.41 0.30 1.05 2.02 0.56 -1.47 112.91 116.78 1ttt h THR 28 Ca -0.00 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 1ttt h THR 28 Cb 0.25 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1ttt h THR 28 CO 0.01 0.49 -0.20 0.00 0.37 0.00 0.00 175.52 176.19 1ttt h ALA 29 N 0.46 -0.48 -0.98 6.16 0.00 -0.33 -2.53 119.26 121.57 1ttt h ALA 29 Ca -0.02 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.97 1ttt h ALA 29 Cb 0.95 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1ttt h ALA 29 CO 0.07 -0.78 0.59 0.00 0.00 0.00 0.00 179.25 179.12 1ttt h ALA 30 N 0.18 1.56 0.25 0.00 0.00 -0.47 -1.56 119.26 119.22 1ttt h ALA 30 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ttt h ALA 30 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ttt h ALA 30 CO 0.02 0.02 -0.12 -0.07 0.00 0.00 0.00 179.25 179.10 1ttt h LEU 31 N 0.80 -0.28 -0.26 0.00 3.38 -0.85 -2.69 115.31 115.41 1ttt h LEU 31 Ca 0.54 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.55 1ttt h LEU 31 Cb 0.75 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1ttt h LEU 31 CO -0.35 -0.17 -0.24 0.71 0.09 0.00 0.00 178.44 178.48 1ttt h THR 32 N -0.37 0.39 0.12 0.22 1.35 -0.95 -0.44 112.91 113.23 1ttt h THR 32 Ca -0.03 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1ttt h THR 32 Cb 0.28 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 1ttt h THR 32 CO 0.06 0.00 -0.24 1.88 -0.25 0.00 0.00 175.52 176.97 1ttt h TYR 33 N -0.24 -0.63 -0.53 4.73 -1.99 -1.36 -0.93 116.97 116.02 1ttt h TYR 33 Ca 0.14 0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.99 1ttt h TYR 33 Cb 0.46 0.26 -0.10 0.00 2.00 0.00 0.00 36.73 39.36 1ttt h TYR 33 CO -0.40 -0.34 -0.08 0.28 -0.00 0.00 0.00 178.16 177.62 1ttt h VAL 34 N -0.44 0.51 -0.51 -2.88 2.07 -1.13 0.18 116.25 114.06 1ttt h VAL 34 Ca 0.03 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1ttt h VAL 34 Cb 0.46 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1ttt h VAL 34 CO -0.13 0.01 -0.01 0.00 0.02 0.00 0.00 177.57 177.46 1ttt h ALA 35 N 1.51 1.03 -0.43 1.67 0.00 -0.91 -3.10 119.26 119.03 1ttt h ALA 35 Ca 0.26 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ttt h ALA 35 Cb 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1ttt h ALA 35 CO -0.51 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 1ttt h ALA 36 N 1.19 0.29 -0.35 0.00 0.00 0.72 0.16 119.26 121.27 1ttt h ALA 36 Ca 0.15 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1ttt h ALA 36 Cb 0.49 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ttt h ALA 36 CO 0.02 -0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.08 1ttt h ALA 37 N 1.43 2.27 -0.01 0.00 0.00 -1.06 -2.38 119.26 119.51 1ttt h ALA 37 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ttt h ALA 37 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ttt h ALA 37 CO -0.44 -0.37 -0.58 0.39 0.00 0.00 0.00 179.25 178.26 1ttt n GLU 38 N -4.44 1.71 -3.47 0.00 1.02 -0.26 -4.78 120.64 110.43 1ttt n GLU 38 Ca 0.05 -0.36 -0.21 0.00 -0.02 0.00 0.00 57.16 56.62 1ttt n GLU 38 Cb 0.40 -1.27 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.26 2.15 0.00 1.62 0.01 0.39 -5.00 114.94 111.84 1ttt s ASN 39 Ca 0.09 -0.78 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1ttt s ASN 39 Cb 0.13 0.22 0.00 0.00 0.41 0.00 0.00 41.25 42.01 1ttt s ASN 39 CO 0.55 -0.39 0.19 -0.81 -1.51 0.00 0.00 177.10 175.13 1ttt n PRO 40 N 5.29 0.00 -0.08 -0.60 -0.04 -1.19 -2.51 135.00 135.88 1ttt n PRO 40 Ca -0.04 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ttt n PRO 40 Cb 0.46 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.71 1.13 -4.41 3.54 6.94 -1.26 -4.61 115.26 115.88 1ttt n ASN 41 Ca 0.00 -1.03 -0.36 0.00 -0.02 0.00 0.00 54.58 53.17 1ttt n ASN 41 Cb 0.00 -0.23 -0.13 0.00 -2.36 0.00 0.00 39.78 37.06 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 1.21 3.99 -0.21 3.53 1.01 -1.04 -5.00 120.40 123.88 1ttt s VAL 42 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1ttt s VAL 42 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1ttt s VAL 42 CO 0.00 0.38 0.76 -0.70 0.00 0.00 0.00 175.10 175.54 1ttt s GLU 43 N 1.47 4.21 0.65 2.72 2.12 -1.26 -4.70 118.70 123.91 1ttt s GLU 43 Ca 0.05 0.84 -0.15 0.00 0.36 0.00 0.00 54.97 56.07 1ttt s GLU 43 Cb -0.15 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 1ttt s GLU 43 CO 0.01 -0.39 1.10 0.14 -0.54 0.00 0.00 175.26 175.58 1ttt s VAL 44 N 2.41 3.31 -0.02 3.70 -7.23 -1.26 -4.90 120.40 116.41 1ttt s VAL 44 Ca 0.33 0.62 0.01 0.00 -1.81 0.00 0.00 61.98 61.12 1ttt s VAL 44 Cb -0.16 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1ttt s VAL 44 CO 0.09 -0.37 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.96 1ttt s LYS 45 N -4.07 0.35 0.47 4.82 -0.14 -1.26 -5.00 119.74 114.91 1ttt s LYS 45 Ca 0.67 0.00 0.05 0.00 -1.36 0.00 0.00 55.97 55.33 1ttt s LYS 45 Cb -0.20 -0.46 0.02 0.00 -1.68 0.00 0.00 37.83 35.50 1ttt s LYS 45 CO 0.41 -0.08 0.65 -0.51 -0.76 0.00 0.00 175.35 175.06 1ttt s ASP 46 N 0.72 5.53 0.15 2.83 1.01 -1.26 -4.38 116.67 121.28 1ttt s ASP 46 Ca -0.08 -0.20 -0.28 0.00 0.71 0.00 0.00 52.55 52.71 1ttt s ASP 46 Cb -0.11 -0.84 -0.01 0.00 1.01 0.00 0.00 42.92 42.97 1ttt s ASP 46 CO -0.01 -0.89 1.57 0.22 0.21 0.00 0.00 175.17 176.26 1ttt h TYR 47 N 0.41 -1.37 0.00 4.23 5.03 -1.97 0.74 116.97 124.04 1ttt h TYR 47 Ca -0.42 0.08 0.00 0.00 2.58 0.00 0.00 58.73 60.97 1ttt h TYR 47 Cb 1.28 0.66 0.00 0.00 1.55 0.00 0.00 36.73 40.23 1ttt h TYR 47 CO 0.39 -0.45 0.05 0.78 -1.32 0.00 0.00 178.16 177.61 1ttt h GLY 48 N -0.31 0.00 -2.11 1.82 0.00 -1.94 0.48 103.07 101.01 1ttt h GLY 48 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ttt h GLY 48 CO -0.62 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.14 1ttt n ASP 49 N -2.29 3.07 0.00 0.19 9.92 0.26 -4.23 116.55 123.47 1ttt n ASP 49 Ca -0.01 -2.01 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1ttt n ASP 49 Cb 0.08 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1ttt n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ttt n ILE 50 N 1.17 0.00 -1.82 0.53 5.41 0.15 -4.72 119.36 120.08 1ttt n ILE 50 Ca 0.19 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.60 1ttt n ILE 50 Cb 0.49 -0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 38.58 1ttt n ILE 50 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ttt n ASP 51 N -2.57 7.14 0.00 4.38 8.00 -0.23 -4.68 116.55 128.59 1ttt n ASP 51 Ca 0.00 -3.37 0.07 0.00 0.71 0.00 0.00 54.79 52.20 1ttt n ASP 51 Cb 0.25 -1.22 0.40 0.00 -0.02 0.00 0.00 41.12 40.52 1ttt n ASP 51 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ttt n LYS 52 N 0.69 0.36 0.00 -1.24 2.85 -1.26 -3.76 118.16 115.79 1ttt n LYS 52 Ca 0.53 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 1ttt n LYS 52 Cb 0.39 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1ttt n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ttt n ALA 53 N -1.11 0.00 0.00 0.58 0.00 -1.26 -4.87 120.51 113.84 1ttt n ALA 53 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ttt n ALA 53 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1ttt n ALA 53 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ttt n PRO 54 N 0.00 2.51 0.10 0.00 -0.02 -1.26 -3.45 135.00 132.88 1ttt n PRO 54 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1ttt n PRO 54 Cb 0.00 -0.82 0.28 0.00 -0.02 0.00 0.00 33.50 32.94 1ttt n PRO 54 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ttt h GLU 55 N 0.00 0.00 0.00 -0.52 4.81 -1.95 2.93 114.58 119.86 1ttt h GLU 55 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ttt h GLU 55 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ttt h GLU 55 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1ttt n GLU 56 N -2.29 0.00 -0.42 1.92 1.02 -1.26 -2.13 120.64 117.47 1ttt n GLU 56 Ca 0.04 0.25 0.35 0.00 -0.02 0.00 0.00 57.16 57.78 1ttt n GLU 56 Cb 0.45 -0.97 0.66 0.00 -0.02 0.00 0.00 31.44 31.56 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 0.13 0.00 3.49 3.08 -1.56 0.52 114.38 120.04 1ttt h ARG 57 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ttt h ARG 57 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ttt h ARG 57 CO 0.00 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 1ttt n ALA 58 N -2.62 0.00 0.83 0.04 0.00 0.98 -3.44 120.51 116.31 1ttt n ALA 58 Ca 0.33 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.81 1ttt n ALA 58 Cb 1.33 0.03 0.27 0.00 0.00 0.00 0.00 19.45 21.08 1ttt n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ttt n ARG 59 N -0.36 0.42 -3.75 0.00 1.74 -0.90 -4.88 116.66 108.92 1ttt n ARG 59 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1ttt n ARG 59 Cb 0.00 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1ttt n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttt n GLY 60 N -0.14 -0.64 3.42 -0.13 0.00 0.15 -4.98 105.19 102.87 1ttt n GLY 60 Ca 0.07 0.31 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.64 0.02 -0.10 -0.61 -4.36 -1.15 -5.05 121.20 106.31 1ttt s ILE 61 Ca 0.25 -0.14 -0.30 0.00 -0.26 0.00 0.00 60.65 60.21 1ttt s ILE 61 Cb -0.09 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 1ttt s ILE 61 CO 0.86 -0.08 1.40 -0.89 0.24 0.00 0.00 174.94 176.47 1ttt s THR 62 N -0.76 3.97 -0.14 8.37 2.01 -1.26 -4.40 115.64 123.43 1ttt s THR 62 Ca -0.08 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.15 1ttt s THR 62 Cb -0.03 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 1ttt s THR 62 CO 0.05 -0.08 -0.12 2.30 -0.69 0.00 0.00 174.62 176.08 1ttt n ILE 63 N 5.23 0.81 -4.14 1.82 -5.35 -1.26 -4.53 119.36 111.94 1ttt n ILE 63 Ca 0.15 -0.32 -0.29 0.00 -0.27 0.00 0.00 62.75 62.01 1ttt n ILE 63 Cb 0.44 -0.99 -0.08 0.00 -1.74 0.00 0.00 39.64 37.27 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 -5.33 4.97 1.17 7.28 0.02 -1.26 -4.87 114.94 116.92 1ttt s ASN 64 Ca -0.19 -0.22 -0.19 0.00 -1.02 0.00 0.00 52.86 51.24 1ttt s ASN 64 Cb 0.05 -1.16 0.27 0.00 0.02 0.00 0.00 41.25 40.43 1ttt s ASN 64 CO 0.33 0.15 1.13 0.42 0.02 0.00 0.00 177.10 179.16 1ttt s THR 65 N -1.40 1.66 -0.18 1.60 -4.23 -1.26 -4.80 115.64 107.02 1ttt s THR 65 Ca 0.26 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1ttt s THR 65 Cb -0.11 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.23 1ttt s THR 65 CO 0.18 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.73 1ttt s ALA 66 N -3.11 -1.18 -0.43 3.99 0.00 -0.95 -4.96 121.76 115.11 1ttt s ALA 66 Ca 0.71 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 54.07 1ttt s ALA 66 Cb -0.09 -0.90 0.08 0.00 0.00 0.00 0.00 23.12 22.20 1ttt s ALA 66 CO 0.56 -0.26 0.30 -1.01 0.00 0.00 0.00 175.76 175.35 1ttt s HIS 67 N 0.86 3.31 0.42 0.00 3.76 -1.26 -0.86 115.29 121.51 1ttt s HIS 67 Ca -0.05 -1.33 0.08 0.00 -0.15 0.00 0.00 55.06 53.61 1ttt s HIS 67 Cb -0.06 -3.01 -0.01 0.00 1.11 0.00 0.00 32.58 30.62 1ttt s HIS 67 CO -0.07 -0.83 0.43 0.14 -0.85 0.00 0.00 174.74 173.57 1ttt s VAL 68 N 1.49 2.72 0.10 -0.90 -7.23 0.11 -4.92 120.40 111.77 1ttt s VAL 68 Ca 0.03 -1.25 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1ttt s VAL 68 Cb -0.23 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1ttt s VAL 68 CO 0.04 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.02 1ttt s GLU 69 N -4.20 0.86 -0.18 4.82 2.12 -1.26 -1.29 118.70 119.57 1ttt s GLU 69 Ca 0.50 -1.16 -0.35 0.00 0.36 0.00 0.00 54.97 54.32 1ttt s GLU 69 Cb -0.05 -0.58 0.14 0.00 0.26 0.00 0.00 34.13 33.90 1ttt s GLU 69 CO 0.29 0.09 1.27 1.52 -0.54 0.00 0.00 175.26 177.89 1ttt s TYR 70 N -2.37 -0.09 0.18 5.30 -0.85 0.30 -4.72 117.35 115.10 1ttt s TYR 70 Ca 0.05 0.04 -0.11 0.00 -0.52 0.00 0.00 57.07 56.54 1ttt s TYR 70 Cb -0.03 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 42.82 1ttt s TYR 70 CO 0.00 -0.17 0.35 -1.83 -1.52 0.00 0.00 175.55 172.38 1ttt s GLU 71 N -2.33 1.24 0.42 -3.49 -1.05 -1.26 0.67 118.70 112.91 1ttt s GLU 71 Ca 0.11 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.80 1ttt s GLU 71 Cb 0.00 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1ttt s GLU 71 CO -0.04 -0.48 0.05 0.25 0.95 0.00 0.00 175.26 175.99 1ttt n THR 72 N -0.26 0.00 -0.06 1.83 -2.24 0.26 -4.82 114.28 108.99 1ttt n THR 72 Ca -0.07 -2.14 -0.08 0.00 -2.27 0.00 0.00 64.05 59.49 1ttt n THR 72 Cb 0.63 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.37 0.27 -0.14 6.98 0.00 -1.98 -3.07 119.26 122.70 1ttt h ALA 73 Ca -0.34 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ttt h ALA 73 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ttt h ALA 73 CO 0.56 -0.32 -0.60 0.87 0.00 0.00 0.00 179.25 179.75 1ttt h LYS 74 N 0.20 0.46 -3.73 0.00 1.57 -1.99 -3.48 116.57 109.60 1ttt h LYS 74 Ca 0.10 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1ttt h LYS 74 Cb 0.07 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.31 1ttt h LYS 74 CO -0.10 0.93 -0.19 1.03 -0.57 0.00 0.00 179.45 180.54 1ttt s ARG 75 N -3.86 1.36 -0.22 3.15 0.52 -1.16 -4.18 118.95 114.57 1ttt s ARG 75 Ca -0.06 -1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1ttt s ARG 75 Cb 0.11 0.43 -0.03 0.00 0.52 0.00 0.00 34.95 35.99 1ttt s ARG 75 CO 0.83 -0.54 0.04 -1.58 0.02 0.00 0.00 175.30 174.07 1ttt s HIS 76 N -3.99 3.09 -0.11 -0.53 5.65 -0.32 0.89 115.29 119.97 1ttt s HIS 76 Ca 0.19 -0.37 -0.00 0.00 0.25 0.00 0.00 55.06 55.13 1ttt s HIS 76 Cb 0.01 -2.15 -0.02 0.00 -1.18 0.00 0.00 32.58 29.24 1ttt s HIS 76 CO 0.04 -0.24 -0.10 0.71 -0.65 0.00 0.00 174.74 174.50 1ttt s TYR 77 N 1.17 2.85 -0.16 3.88 2.02 0.21 -1.04 117.35 126.29 1ttt s TYR 77 Ca 0.04 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1ttt s TYR 77 Cb -0.14 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1ttt s TYR 77 CO 0.02 -0.03 -0.01 -1.12 -1.57 0.00 0.00 175.55 172.84 1ttt s SER 78 N 0.01 5.01 -0.11 2.29 0.01 -1.07 -0.54 113.70 119.30 1ttt s SER 78 Ca -0.03 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.18 1ttt s SER 78 Cb -0.14 -1.82 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1ttt s SER 78 CO 0.04 0.18 -0.13 -2.28 0.41 0.00 0.00 173.24 171.45 1ttt s HIS 79 N 0.32 1.84 -0.30 2.43 2.46 -0.41 -1.08 115.29 120.54 1ttt s HIS 79 Ca -0.02 -0.87 -0.08 0.00 0.47 0.00 0.00 55.06 54.56 1ttt s HIS 79 Cb -0.14 -1.36 -0.01 0.00 -0.13 0.00 0.00 32.58 30.95 1ttt s HIS 79 CO 0.02 -0.47 0.12 0.08 -2.47 0.00 0.00 174.74 172.02 1ttt s VAL 80 N 1.11 4.37 -0.20 0.89 1.01 -0.48 0.05 120.40 127.16 1ttt s VAL 80 Ca -0.05 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1ttt s VAL 80 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1ttt s VAL 80 CO -0.03 0.11 0.57 -0.62 0.00 0.00 0.00 175.10 175.13 1ttt s ASP 81 N 1.58 6.62 0.46 3.32 2.15 -0.04 -2.35 116.67 128.41 1ttt s ASP 81 Ca 0.04 0.75 0.08 0.00 0.43 0.00 0.00 52.55 53.85 1ttt s ASP 81 Cb -0.17 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1ttt s ASP 81 CO 0.05 -0.21 0.46 0.00 -0.17 0.00 0.00 175.17 175.29 1ttt s PRO 83 N -4.25 4.16 0.00 0.00 0.04 -1.26 -4.86 135.00 128.84 1ttt s PRO 83 Ca 0.48 0.73 0.13 0.00 0.04 0.00 0.00 61.00 62.39 1ttt s PRO 83 Cb -0.04 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1ttt s PRO 83 CO 0.29 0.47 0.70 0.41 0.04 0.00 0.00 177.00 178.91 1ttt n GLY 84 N 0.95 -0.12 3.77 0.56 0.00 -1.26 -4.65 105.19 104.44 1ttt n GLY 84 Ca -0.05 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.79 2.83 0.06 1.61 5.65 -1.26 -3.28 115.29 119.12 1ttt s HIS 85 Ca 0.09 1.48 -0.24 0.00 0.25 0.00 0.00 55.06 56.65 1ttt s HIS 85 Cb 0.10 -3.53 -0.16 0.00 -1.18 0.00 0.00 32.58 27.81 1ttt s HIS 85 CO 0.38 -1.82 1.63 0.00 -0.65 0.00 0.00 174.74 174.28 1ttt h ALA 86 N 2.33 0.00 -0.04 1.58 0.00 -1.98 -2.67 119.26 118.49 1ttt h ALA 86 Ca -0.49 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1ttt h ALA 86 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ttt h ALA 86 CO 0.61 -0.44 0.46 -0.44 0.00 0.00 0.00 179.25 179.43 1ttt h ASP 87 N -0.11 0.00 -0.27 0.00 3.32 -1.93 -0.97 116.42 116.47 1ttt h ASP 87 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ttt h ASP 87 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1ttt h ASP 87 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1ttt n TYR 88 N -2.88 0.96 -0.22 4.55 4.02 -1.01 -4.74 117.16 117.84 1ttt n TYR 88 Ca -0.01 -0.95 0.21 0.00 -0.01 0.00 0.00 57.90 57.14 1ttt n TYR 88 Cb 0.51 -0.33 0.56 0.00 -0.02 0.00 0.00 39.34 40.06 1ttt n TYR 88 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1ttt h ILE 89 N 1.68 0.66 -0.19 -0.72 1.08 -1.23 -1.62 117.51 117.17 1ttt h ILE 89 Ca 0.03 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 1ttt h ILE 89 Cb 1.47 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 1ttt h ILE 89 CO 0.24 0.06 -0.25 0.50 -0.69 0.00 0.00 178.15 178.01 1ttt h LYS 90 N 0.31 -0.27 -0.59 2.37 3.64 -1.85 0.65 116.57 120.83 1ttt h LYS 90 Ca 0.45 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.78 1ttt h LYS 90 Cb 1.26 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1ttt h LYS 90 CO -0.14 -0.18 0.11 -0.91 -2.27 0.00 0.00 179.45 176.07 1ttt h ASN 91 N -0.28 0.92 -0.11 4.20 2.35 -1.67 0.12 115.58 121.12 1ttt h ASN 91 Ca 0.12 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1ttt h ASN 91 Cb 0.46 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1ttt h ASN 91 CO -0.35 0.93 -0.11 -0.03 -1.65 0.00 0.00 177.43 176.22 1ttt h MET 92 N 0.86 -0.14 -0.92 0.81 1.85 -1.00 -0.45 114.93 115.93 1ttt h MET 92 Ca 0.18 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.37 1ttt h MET 92 Cb 0.40 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.39 1ttt h MET 92 CO 0.01 -0.09 0.60 0.82 -0.40 0.00 0.00 176.91 177.84 1ttt h ILE 93 N -0.14 0.99 0.00 1.77 2.04 0.91 0.30 117.51 123.37 1ttt h ILE 93 Ca 0.08 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 1ttt h ILE 93 Cb 0.26 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1ttt h ILE 93 CO -0.19 0.17 -0.39 0.74 0.00 0.00 0.00 178.15 178.48 1ttt h THR 94 N 0.96 1.05 0.40 -0.27 2.02 0.28 -1.52 112.91 115.82 1ttt h THR 94 Ca 0.42 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1ttt h THR 94 Cb 0.36 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1ttt h THR 94 CO -0.18 0.39 -0.19 1.23 0.37 0.00 0.00 175.52 177.13 1ttt h GLY 95 N 1.67 -0.56 -0.03 2.16 0.00 0.10 -3.05 103.07 103.36 1ttt h GLY 95 Ca -0.00 0.21 0.20 0.00 0.00 0.00 0.00 47.33 47.74 1ttt h GLY 95 CO 0.05 -0.20 0.48 0.00 0.00 0.00 0.00 176.54 176.87 1ttt h ALA 96 N -0.71 1.51 0.00 3.60 0.00 -0.76 0.34 119.26 123.23 1ttt h ALA 96 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ttt h ALA 96 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ttt h ALA 96 CO 0.09 -0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.20 1ttt n ALA 97 N -2.41 0.91 0.55 0.00 0.00 -0.58 -0.36 120.51 118.63 1ttt n ALA 97 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.72 1ttt n ALA 97 Cb 0.61 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 1ttt n ALA 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ttt n GLN 98 N -1.21 2.43 -2.68 0.00 6.02 0.12 -4.94 117.38 117.12 1ttt n GLN 98 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 1ttt n GLN 98 Cb 0.07 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.31 4.47 0.00 -1.09 -1.94 0.51 -4.79 119.30 114.15 1ttt s MET 99 Ca 0.04 1.43 0.17 0.00 -1.71 0.00 0.00 55.69 55.63 1ttt s MET 99 Cb 0.10 -2.77 -0.11 0.00 2.01 0.00 0.00 34.83 34.06 1ttt s MET 99 CO 0.54 0.15 0.81 -0.25 -0.01 0.00 0.00 175.02 176.27 1ttt n ASP 100 N 0.46 1.22 -3.64 3.03 8.00 0.58 -4.59 116.55 121.62 1ttt n ASP 100 Ca 0.02 -1.11 -0.05 0.00 0.71 0.00 0.00 54.79 54.37 1ttt n ASP 100 Cb 0.49 0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.38 0.12 0.24 0.44 0.00 -0.94 -4.18 107.32 100.62 1ttt s GLY 101 Ca 0.10 3.01 0.09 0.00 0.00 0.00 0.00 44.72 47.92 1ttt s GLY 101 CO 0.59 1.59 -0.15 0.00 0.00 0.00 0.00 173.10 175.13 1ttt s ALA 102 N -0.35 2.27 -0.20 3.20 0.00 -0.51 -3.37 121.76 122.80 1ttt s ALA 102 Ca 0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.24 1ttt s ALA 102 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1ttt s ALA 102 CO -0.10 0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.11 1ttt s ILE 103 N -2.84 3.02 -0.26 0.00 1.01 -0.10 0.24 121.20 122.28 1ttt s ILE 103 Ca 0.25 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1ttt s ILE 103 Cb -0.02 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1ttt s ILE 103 CO 0.10 0.46 0.15 -0.22 0.00 0.00 0.00 174.94 175.43 1ttt s LEU 104 N 1.35 3.90 -0.17 2.97 2.96 0.32 -1.08 118.68 128.93 1ttt s LEU 104 Ca 0.04 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 1ttt s LEU 104 Cb -0.14 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1ttt s LEU 104 CO -0.05 -0.01 0.20 -0.69 -1.32 0.00 0.00 176.35 174.47 1ttt s VAL 105 N 1.53 5.37 -0.04 1.68 1.01 0.31 -0.54 120.40 129.73 1ttt s VAL 105 Ca 0.07 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 1ttt s VAL 105 Cb -0.15 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1ttt s VAL 105 CO 0.08 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.95 1ttt s VAL 106 N 0.12 0.20 -0.18 2.92 1.01 -0.64 -4.25 120.40 119.58 1ttt s VAL 106 Ca 0.13 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1ttt s VAL 106 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 1ttt s VAL 106 CO 0.02 0.18 1.26 -0.55 0.00 0.00 0.00 175.10 176.01 1ttt s SER 107 N 1.43 6.92 0.65 3.32 0.15 -1.26 0.32 113.70 125.23 1ttt s SER 107 Ca -0.04 1.63 0.41 0.00 0.70 0.00 0.00 55.95 58.65 1ttt s SER 107 Cb -0.13 -2.54 2.28 0.00 -1.71 0.00 0.00 66.02 63.92 1ttt s SER 107 CO -0.03 -0.80 2.34 0.00 1.20 0.00 0.00 173.24 175.96 1ttt h ALA 108 N 8.31 1.14 0.00 5.45 0.00 0.11 0.48 119.26 134.75 1ttt h ALA 108 Ca -0.26 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1ttt h ALA 108 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ttt h ALA 108 CO 0.98 -0.01 -1.03 0.00 0.00 0.00 0.00 179.25 179.18 1ttt h ALA 109 N 1.98 0.63 0.00 0.00 0.00 -1.80 -3.38 119.26 116.69 1ttt h ALA 109 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 54.91 53.91 1ttt h ALA 109 Cb 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1ttt h ALA 109 CO -0.00 0.90 -2.25 -0.25 0.00 0.00 0.00 179.25 177.65 1ttt n ASP 110 N -3.09 0.04 -0.25 0.00 8.00 0.63 -5.08 116.55 116.81 1ttt n ASP 110 Ca -0.04 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.49 1ttt n ASP 110 Cb 0.83 1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 43.24 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 1.60 -1.89 3.71 0.44 0.00 0.14 -4.83 105.19 104.36 1ttt n GLY 111 Ca -0.23 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1ttt n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ttt n PRO 112 N -2.49 1.21 -3.67 1.61 -0.01 -1.26 -4.65 135.00 125.74 1ttt n PRO 112 Ca -0.00 0.47 -0.16 0.00 -0.01 0.00 0.00 63.50 63.79 1ttt n PRO 112 Cb 0.12 -2.48 -0.05 0.00 -0.01 0.00 0.00 33.50 31.07 1ttt n PRO 112 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 175.50 174.16 1ttt n MET 113 N -1.55 0.48 0.09 -0.52 2.81 -1.26 -5.02 117.12 112.15 1ttt n MET 113 Ca 0.14 -2.45 -0.13 0.00 -1.81 0.00 0.00 57.70 53.45 1ttt n MET 113 Cb 0.47 1.67 -0.06 0.00 -0.71 0.00 0.00 33.22 34.58 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 -0.56 0.00 0.03 0.11 -2.01 -1.81 132.00 127.77 1ttt h PRO 114 Ca -0.20 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1ttt h PRO 114 Cb 0.87 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ttt h PRO 114 CO 0.30 -0.37 -0.05 1.96 -0.21 0.00 0.00 178.00 179.63 1ttt h GLN 115 N -0.58 0.00 -0.11 1.05 7.50 -1.92 0.22 115.11 121.27 1ttt h GLN 115 Ca 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 1ttt h GLN 115 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1ttt h GLN 115 CO -0.26 0.05 0.06 1.15 -1.50 0.00 0.00 178.83 178.33 1ttt h THR 116 N 0.00 1.10 -0.09 -0.54 2.02 -1.63 0.33 112.91 114.09 1ttt h THR 116 Ca -0.00 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1ttt h THR 116 Cb 0.16 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1ttt h THR 116 CO 0.01 0.09 -0.04 -0.09 0.37 0.00 0.00 175.52 175.85 1ttt h ARG 117 N 0.08 0.18 -0.74 6.66 2.43 -0.18 -3.18 114.38 119.63 1ttt h ARG 117 Ca 0.04 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ttt h ARG 117 Cb 0.09 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1ttt h ARG 117 CO -0.01 0.55 0.46 1.49 -1.51 0.00 0.00 179.97 180.95 1ttt h GLU 118 N -0.18 0.86 -0.45 0.20 4.81 -1.02 -1.41 114.58 117.38 1ttt h GLU 118 Ca 0.02 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1ttt h GLU 118 Cb 0.49 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1ttt h GLU 118 CO 0.01 0.57 0.19 0.45 -0.73 0.00 0.00 179.01 179.50 1ttt h HIS 119 N 0.89 0.34 -0.22 0.92 3.86 -0.39 0.85 115.15 121.39 1ttt h HIS 119 Ca 0.30 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.56 1ttt h HIS 119 Cb 0.05 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1ttt h HIS 119 CO -0.04 0.14 0.06 0.82 0.86 0.00 0.00 177.93 179.77 1ttt h ILE 120 N 0.38 0.93 0.62 2.45 2.04 -1.46 0.60 117.51 123.07 1ttt h ILE 120 Ca 0.21 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1ttt h ILE 120 Cb 0.17 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1ttt h ILE 120 CO -0.19 0.03 -0.35 0.25 0.00 0.00 0.00 178.15 177.89 1ttt h LEU 121 N 0.16 -0.87 -0.60 1.44 5.85 -0.40 0.37 115.31 121.26 1ttt h LEU 121 Ca 0.10 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1ttt h LEU 121 Cb 0.07 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1ttt h LEU 121 CO -0.11 -0.57 0.04 -0.07 -0.34 0.00 0.00 178.44 177.40 1ttt h LEU 122 N -0.91 -0.18 -0.62 2.25 3.38 0.11 0.18 115.31 119.53 1ttt h LEU 122 Ca -0.08 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1ttt h LEU 122 Cb 0.73 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1ttt h LEU 122 CO 0.10 -0.07 -0.13 0.00 0.09 0.00 0.00 178.44 178.43 1ttt h ALA 123 N 1.53 0.45 -0.45 1.53 0.00 0.41 0.19 119.26 122.91 1ttt h ALA 123 Ca 0.32 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 1ttt h ALA 123 Cb 0.50 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ttt h ALA 123 CO -0.48 -0.42 -0.27 -0.09 0.00 0.00 0.00 179.25 177.99 1ttt h ARG 124 N 0.02 0.98 0.00 0.00 2.43 0.15 -0.26 114.38 117.70 1ttt h ARG 124 Ca 0.30 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ttt h ARG 124 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ttt h ARG 124 CO -0.62 1.12 0.00 1.96 -1.51 0.00 0.00 179.97 180.91 1ttt h GLN 125 N 0.83 0.00 -0.02 0.20 1.08 0.54 -2.07 115.11 115.67 1ttt h GLN 125 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1ttt h GLN 125 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1ttt h GLN 125 CO 0.08 0.00 -0.17 0.28 -0.95 0.00 0.00 178.83 178.07 1ttt n VAL 126 N -2.57 0.00 0.00 -0.54 0.31 0.48 -3.79 118.33 112.22 1ttt n VAL 126 Ca 0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1ttt n VAL 126 Cb 0.23 0.94 0.00 0.00 -0.91 0.00 0.00 33.84 34.10 1ttt n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ttt n GLY 127 N 1.32 0.67 3.69 2.92 0.00 -0.78 -4.64 105.19 108.37 1ttt n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ttt n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ttt s VAL 128 N -2.00 3.14 -0.13 1.61 1.01 -0.16 -4.85 120.40 119.02 1ttt s VAL 128 Ca 0.00 0.56 0.18 0.00 0.00 0.00 0.00 61.98 62.72 1ttt s VAL 128 Cb 0.00 -3.36 -0.19 0.00 0.00 0.00 0.00 36.38 32.83 1ttt s VAL 128 CO 0.00 -0.01 0.62 -2.65 0.00 0.00 0.00 175.10 173.06 1ttt n PRO 129 N 5.71 0.64 -4.46 2.72 -0.02 -1.26 -4.62 135.00 133.72 1ttt n PRO 129 Ca 0.16 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.51 1ttt n PRO 129 Cb 0.41 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.05 1ttt n PRO 129 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ttt s TYR 130 N -2.94 1.63 -0.05 6.00 1.51 -1.26 -5.01 117.35 117.23 1ttt s TYR 130 Ca -0.05 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1ttt s TYR 130 Cb 0.09 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1ttt s TYR 130 CO 0.83 0.10 -0.12 0.42 -1.11 0.00 0.00 175.55 175.67 1ttt s ILE 131 N -0.93 1.11 -0.07 2.71 1.01 -1.26 -1.42 121.20 122.35 1ttt s ILE 131 Ca 0.05 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1ttt s ILE 131 Cb -0.09 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1ttt s ILE 131 CO 0.02 0.34 -0.21 -0.69 0.00 0.00 0.00 174.94 174.40 1ttt s VAL 132 N 0.40 2.38 0.07 2.92 1.01 0.14 -4.52 120.40 122.80 1ttt s VAL 132 Ca -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1ttt s VAL 132 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1ttt s VAL 132 CO 0.02 0.57 0.17 -0.69 0.00 0.00 0.00 175.10 175.17 1ttt s VAL 133 N -0.20 5.09 -0.23 2.92 1.01 -0.88 0.12 120.40 128.22 1ttt s VAL 133 Ca -0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ttt s VAL 133 Cb -0.13 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1ttt s VAL 133 CO 0.03 0.12 0.12 0.12 0.00 0.00 0.00 175.10 175.49 1ttt s PHE 134 N -1.49 0.23 -0.47 5.22 5.36 0.30 -1.97 117.98 125.16 1ttt s PHE 134 Ca 0.33 -0.57 -0.29 0.00 -0.96 0.00 0.00 56.93 55.44 1ttt s PHE 134 Cb -0.13 -0.78 0.03 0.00 -0.34 0.00 0.00 43.02 41.80 1ttt s PHE 134 CO 0.26 -0.68 1.19 1.41 -1.46 0.00 0.00 175.22 175.94 1ttt s MET 135 N 2.13 3.69 0.55 10.12 -2.45 0.36 -1.63 119.30 132.08 1ttt s MET 135 Ca 0.06 0.64 0.06 0.00 -1.25 0.00 0.00 55.69 55.19 1ttt s MET 135 Cb -0.16 -3.93 0.06 0.00 1.25 0.00 0.00 34.83 32.05 1ttt s MET 135 CO -0.23 -1.42 0.76 1.21 1.05 0.00 0.00 175.02 176.39 1ttt s ASN 136 N 2.75 5.16 -0.45 1.11 2.47 0.15 -1.84 114.94 124.29 1ttt s ASN 136 Ca 0.51 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 53.30 1ttt s ASN 136 Cb -0.08 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.47 1ttt s ASN 136 CO 0.32 -1.23 0.00 0.29 -3.72 0.00 0.00 177.10 172.76 1ttt n LYS 137 N -2.25 -0.49 0.13 0.43 5.02 -1.09 0.15 118.16 120.06 1ttt n LYS 137 Ca 0.12 0.54 0.09 0.00 -2.02 0.00 0.00 58.31 57.03 1ttt n LYS 137 Cb 0.60 -4.20 0.47 0.00 -0.02 0.00 0.00 35.03 31.88 1ttt n LYS 137 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ttt n VAL 138 N -2.78 1.21 0.24 -0.18 0.31 -0.49 0.97 118.33 117.62 1ttt n VAL 138 Ca -0.04 0.65 0.13 0.00 -0.01 0.00 0.00 64.34 65.07 1ttt n VAL 138 Cb 0.19 -1.64 0.43 0.00 -0.91 0.00 0.00 33.84 31.91 1ttt n VAL 138 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1ttt h ASP 139 N 0.00 0.00 0.28 4.52 2.03 -1.91 -3.10 116.42 118.23 1ttt h ASP 139 Ca 0.00 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.96 1ttt h ASP 139 Cb 0.03 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1ttt h ASP 139 CO 0.00 0.08 -1.72 0.24 -1.03 0.00 0.00 179.24 176.81 1ttt h MET 140 N 0.00 0.31 -3.08 4.15 2.86 0.22 -3.46 114.93 115.93 1ttt h MET 140 Ca -0.00 -0.54 -0.17 0.00 -2.06 0.00 0.00 59.70 56.94 1ttt h MET 140 Cb 0.77 0.20 -0.26 0.00 0.06 0.00 0.00 31.60 32.37 1ttt h MET 140 CO 0.01 1.20 -0.42 0.14 1.06 0.00 0.00 176.91 178.90 1ttt s VAL 141 N -2.59 -0.01 0.00 -2.22 -7.23 -1.04 -4.99 120.40 102.33 1ttt s VAL 141 Ca -0.14 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1ttt s VAL 141 Cb 0.06 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.63 1ttt s VAL 141 CO 0.84 0.01 0.34 -0.90 -0.31 0.00 0.00 175.10 175.08 1ttt n ASP 142 N 3.18 0.00 -4.62 4.85 5.68 -1.26 -4.33 116.55 120.05 1ttt n ASP 142 Ca -0.15 -1.00 -0.52 0.00 -0.50 0.00 0.00 54.79 52.62 1ttt n ASP 142 Cb 0.57 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 1ttt n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ttt n ASP 143 N 0.00 2.72 -0.06 -1.12 2.03 -1.26 -4.74 116.55 114.12 1ttt n ASP 143 Ca 0.00 0.83 -0.07 0.00 0.52 0.00 0.00 54.79 56.07 1ttt n ASP 143 Cb 0.50 -1.27 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 1ttt n ASP 143 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ttt h PRO 144 N 9.58 -0.10 -0.92 -0.67 0.11 -1.99 0.18 132.00 138.20 1ttt h PRO 144 Ca -0.42 0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.88 1ttt h PRO 144 Cb 1.30 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.36 1ttt h PRO 144 CO 0.97 -0.06 0.60 0.93 -0.21 0.00 0.00 178.00 180.22 1ttt h GLU 145 N -0.10 0.55 0.37 1.05 4.39 -2.00 0.61 114.58 119.45 1ttt h GLU 145 Ca 0.14 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1ttt h GLU 145 Cb 0.31 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ttt h GLU 145 CO -0.33 0.37 -0.18 1.25 -1.16 0.00 0.00 179.01 178.95 1ttt h LEU 146 N 0.57 -0.43 -1.37 1.33 5.85 -1.13 -2.35 115.31 117.78 1ttt h LEU 146 Ca 0.49 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.24 1ttt h LEU 146 Cb 0.98 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1ttt h LEU 146 CO -0.23 -0.06 0.57 -0.07 -0.34 0.00 0.00 178.44 178.31 1ttt h LEU 147 N -0.84 0.56 -0.56 2.25 3.38 0.78 -1.22 115.31 119.64 1ttt h LEU 147 Ca -0.05 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1ttt h LEU 147 Cb 0.54 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ttt h LEU 147 CO 0.08 0.26 -0.07 0.44 0.09 0.00 0.00 178.44 179.25 1ttt h ASP 148 N 0.58 1.03 0.76 -0.43 5.19 -0.85 -2.49 116.42 120.21 1ttt h ASP 148 Ca 0.45 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1ttt h ASP 148 Cb 0.88 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.12 1ttt h ASP 148 CO -0.20 1.12 -0.37 0.25 -3.12 0.00 0.00 179.24 176.93 1ttt h LEU 149 N 0.92 -0.87 -0.99 1.55 5.85 -0.68 -1.78 115.31 119.31 1ttt h LEU 149 Ca 0.15 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.10 1ttt h LEU 149 Cb 0.63 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.78 1ttt h LEU 149 CO 0.04 -0.62 0.59 0.58 -0.34 0.00 0.00 178.44 178.70 1ttt h VAL 150 N -1.03 0.67 -0.34 1.05 2.07 -1.49 0.12 116.25 117.30 1ttt h VAL 150 Ca -0.10 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1ttt h VAL 150 Cb 0.79 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1ttt h VAL 150 CO 0.17 0.13 0.11 -0.08 0.02 0.00 0.00 177.57 177.92 1ttt h GLU 151 N 0.71 0.53 0.21 1.57 4.81 -1.21 0.16 114.58 121.36 1ttt h GLU 151 Ca 0.59 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1ttt h GLU 151 Cb 0.95 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1ttt h GLU 151 CO -0.40 0.55 -0.34 1.98 -0.73 0.00 0.00 179.01 180.07 1ttt h MET 152 N 0.39 -0.56 -0.71 1.92 4.05 0.04 0.18 114.93 120.24 1ttt h MET 152 Ca 0.11 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.71 1ttt h MET 152 Cb 0.25 0.13 -0.13 0.00 -0.80 0.00 0.00 31.60 31.04 1ttt h MET 152 CO -0.00 -0.37 -0.14 0.93 0.23 0.00 0.00 176.91 177.55 1ttt h GLU 153 N -0.58 0.02 -0.77 0.39 5.08 -0.92 0.16 114.58 117.95 1ttt h GLU 153 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ttt h GLU 153 Cb 0.53 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1ttt h GLU 153 CO -0.11 0.01 0.41 0.28 -1.00 0.00 0.00 179.01 178.61 1ttt h VAL 154 N 0.02 1.24 -0.12 3.13 2.07 0.03 0.15 116.25 122.76 1ttt h VAL 154 Ca 0.35 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1ttt h VAL 154 Cb 0.56 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ttt h VAL 154 CO -0.71 0.27 -0.39 0.03 0.02 0.00 0.00 177.57 176.79 1ttt h ARG 155 N 1.08 0.26 0.03 1.57 3.08 0.10 -0.62 114.38 119.88 1ttt h ARG 155 Ca 0.27 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ttt h ARG 155 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ttt h ARG 155 CO -0.04 0.61 -0.02 0.22 -1.07 0.00 0.00 179.97 179.67 1ttt h ASP 156 N 0.22 -0.04 -0.98 7.04 1.82 0.58 0.12 116.42 125.18 1ttt h ASP 156 Ca 0.02 -0.14 0.19 0.00 -0.39 0.00 0.00 57.03 56.71 1ttt h ASP 156 Cb 0.79 0.01 -0.11 0.00 0.68 0.00 0.00 39.33 40.70 1ttt h ASP 156 CO 0.06 0.12 0.59 0.25 -1.61 0.00 0.00 179.24 178.65 1ttt h LEU 157 N -0.19 0.75 -0.78 2.28 5.85 -0.55 1.87 115.31 124.53 1ttt h LEU 157 Ca -0.00 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1ttt h LEU 157 Cb 0.18 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ttt h LEU 157 CO 0.01 0.27 0.20 -0.07 -0.34 0.00 0.00 178.44 178.50 1ttt h LEU 158 N 0.74 1.05 -0.43 2.25 3.38 -0.22 -2.72 115.31 119.37 1ttt h LEU 158 Ca 0.57 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1ttt h LEU 158 Cb 0.87 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1ttt h LEU 158 CO -0.38 0.99 0.24 0.78 0.09 0.00 0.00 178.44 180.15 1ttt h ASN 159 N 1.07 0.37 -1.00 -0.43 2.35 0.55 -1.22 115.58 117.26 1ttt h ASN 159 Ca 0.23 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.13 1ttt h ASN 159 Cb 0.34 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.55 1ttt h ASN 159 CO -0.00 0.26 0.63 1.56 -1.65 0.00 0.00 177.43 178.23 1ttt h GLN 160 N 0.48 0.90 -0.69 0.81 4.20 -0.80 0.18 115.11 120.19 1ttt h GLN 160 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ttt h GLN 160 Cb 0.05 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1ttt h GLN 160 CO -0.10 0.60 0.00 0.66 -0.67 0.00 0.00 178.83 179.31 1ttt n TYR 161 N -4.65 1.42 -1.43 2.96 4.01 -0.70 -4.92 117.16 113.84 1ttt n TYR 161 Ca 0.20 -0.50 -0.06 0.00 -0.16 0.00 0.00 57.90 57.38 1ttt n TYR 161 Cb 0.42 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.50 -0.44 -3.64 -0.72 1.02 0.63 -5.01 120.64 112.98 1ttt n GLU 162 Ca 0.20 0.60 -0.21 0.00 -0.02 0.00 0.00 57.16 57.73 1ttt n GLU 162 Cb 0.88 -4.39 -0.01 0.00 -0.02 0.00 0.00 31.44 27.91 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 -2.25 3.35 -1.21 -0.32 0.08 -0.55 -4.95 117.98 112.14 1ttt s PHE 163 Ca 0.00 0.02 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 1ttt s PHE 163 Cb 0.00 -1.81 -0.10 0.00 -0.57 0.00 0.00 43.02 40.54 1ttt s PHE 163 CO 0.00 0.19 2.78 -2.30 -0.10 0.00 0.00 175.22 175.79 1ttt n PRO 164 N -1.60 3.01 0.20 0.24 -0.01 -1.26 -3.95 135.00 131.62 1ttt n PRO 164 Ca -0.05 -1.82 0.15 0.00 -0.01 0.00 0.00 63.50 61.77 1ttt n PRO 164 Cb 0.57 -2.59 0.56 0.00 -0.01 0.00 0.00 33.50 32.03 1ttt n PRO 164 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 1ttt h GLY 165 N 7.07 0.00 0.75 -1.23 0.00 -1.83 0.64 103.07 108.48 1ttt h GLY 165 Ca 0.68 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.92 1ttt h GLY 165 CO 1.48 0.00 -0.26 -0.55 0.00 0.00 0.00 176.54 177.21 1ttt h ASP 166 N 0.00 0.44 1.27 0.19 3.32 -1.84 -3.31 116.42 116.49 1ttt h ASP 166 Ca 0.11 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ttt h ASP 166 Cb 1.40 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1ttt h ASP 166 CO -0.00 0.93 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.43 1ttt h GLU 167 N -0.02 0.00 -6.77 3.56 5.08 -0.23 -3.48 114.58 112.72 1ttt h GLU 167 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1ttt h GLU 167 Cb 0.86 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.22 1ttt h GLU 167 CO 0.06 0.00 0.56 0.28 -1.00 0.00 0.00 179.01 178.91 1ttt n VAL 168 N -2.74 1.94 -2.53 3.13 0.31 0.19 -4.94 118.33 113.68 1ttt n VAL 168 Ca 0.01 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.44 1ttt n VAL 168 Cb 0.53 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 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 -1.82 4.49 -0.23 5.55 0.01 -1.26 -4.98 135.00 136.76 1ttt s PRO 169 Ca 0.56 1.64 -0.00 0.00 0.01 0.00 0.00 61.00 63.20 1ttt s PRO 169 Cb -0.56 -3.38 0.06 0.00 0.01 0.00 0.00 34.50 30.63 1ttt s PRO 169 CO 0.62 -0.15 -0.02 0.08 0.01 0.00 0.00 177.00 177.54 1ttt s VAL 170 N 0.93 1.20 -0.05 3.83 1.01 -1.26 -2.08 120.40 123.99 1ttt s VAL 170 Ca 0.56 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1ttt s VAL 170 Cb -0.26 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1ttt s VAL 170 CO 0.29 -0.16 0.29 -0.63 0.00 0.00 0.00 175.10 174.89 1ttt s ILE 171 N 1.54 5.24 -0.11 2.22 -1.09 -0.83 -4.91 121.20 123.26 1ttt s ILE 171 Ca -0.04 0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1ttt s ILE 171 Cb -0.18 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1ttt s ILE 171 CO -0.07 0.58 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.99 1ttt s ARG 172 N -1.12 3.15 0.00 2.79 0.52 -1.26 0.14 118.95 123.17 1ttt s ARG 172 Ca 0.21 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1ttt s ARG 172 Cb -0.15 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1ttt s ARG 172 CO 0.10 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1ttt n GLY 173 N 2.97 1.55 2.76 -3.53 0.00 -0.76 -4.89 105.19 103.27 1ttt n GLY 173 Ca -0.18 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 1ttt n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ttt s SER 174 N 0.15 2.09 0.08 1.61 0.15 -1.26 -1.39 113.70 115.12 1ttt s SER 174 Ca 0.00 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.22 1ttt s SER 174 Cb 0.00 -0.50 -0.26 0.00 -1.71 0.00 0.00 66.02 63.55 1ttt s SER 174 CO 0.00 -0.24 1.15 0.00 1.20 0.00 0.00 173.24 175.35 1ttt h ALA 175 N 8.30 0.09 -0.01 5.45 0.00 -1.95 -2.56 119.26 128.58 1ttt h ALA 175 Ca -0.19 -0.85 0.01 0.00 0.00 0.00 0.00 54.91 53.89 1ttt h ALA 175 Cb 1.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ttt h ALA 175 CO 0.29 0.89 -0.05 1.25 0.00 0.00 0.00 179.25 181.63 1ttt h LEU 176 N 0.12 -0.15 -1.19 0.00 5.85 -1.94 0.16 115.31 118.16 1ttt h LEU 176 Ca -0.15 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1ttt h LEU 176 Cb 1.94 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 1ttt h LEU 176 CO 0.21 -0.08 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.97 1ttt h LEU 177 N -0.09 0.32 -0.32 2.25 4.07 -1.98 -0.51 115.31 119.05 1ttt h LEU 177 Ca 0.03 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1ttt h LEU 177 Cb 0.12 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1ttt h LEU 177 CO -0.06 0.53 -0.09 0.00 -1.08 0.00 0.00 178.44 177.74 1ttt h ALA 178 N 1.50 0.44 -0.26 1.53 0.00 -1.00 -2.25 119.26 119.23 1ttt h ALA 178 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ttt h ALA 178 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ttt h ALA 178 CO 0.03 0.28 0.17 1.25 0.00 0.00 0.00 179.25 180.99 1ttt h LEU 179 N 0.39 0.30 -1.29 0.00 5.85 -0.57 -2.04 115.31 117.95 1ttt h LEU 179 Ca 0.08 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1ttt h LEU 179 Cb 0.59 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1ttt h LEU 179 CO 0.03 0.23 0.56 -0.33 -0.34 0.00 0.00 178.44 178.60 1ttt h GLU 180 N 0.35 0.71 -0.07 1.25 5.08 -1.00 -0.54 114.58 120.35 1ttt h GLU 180 Ca 0.09 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1ttt h GLU 180 Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1ttt h GLU 180 CO -0.02 0.47 -0.52 1.49 -1.00 0.00 0.00 179.01 179.43 1ttt h GLU 181 N 0.73 0.20 0.00 2.33 4.57 -0.86 -0.84 114.58 120.72 1ttt h GLU 181 Ca 0.42 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1ttt h GLU 181 Cb 0.60 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1ttt h GLU 181 CO -0.18 0.68 -0.52 0.52 -1.18 0.00 0.00 179.01 178.32 1ttt h MET 182 N 0.16 0.00 0.07 1.92 2.86 -0.51 0.22 114.93 119.64 1ttt h MET 182 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ttt h MET 182 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1ttt h MET 182 CO 0.08 0.35 -0.03 0.45 1.06 0.00 0.00 176.91 178.82 1ttt h HIS 183 N 0.00 -0.08 -0.82 -0.22 3.86 -0.91 0.32 115.15 117.30 1ttt h HIS 183 Ca -0.02 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.36 1ttt h HIS 183 Cb 1.31 0.03 -0.11 0.00 1.06 0.00 0.00 27.41 29.70 1ttt h HIS 183 CO 0.00 0.28 0.34 0.87 0.86 0.00 0.00 177.93 180.28 1ttt h LYS 184 N -0.46 0.41 -0.42 2.45 1.57 -0.95 -3.39 116.57 115.78 1ttt h LYS 184 Ca -0.01 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1ttt h LYS 184 Cb 0.40 -0.09 -0.20 0.00 0.08 0.00 0.00 32.23 32.42 1ttt h LYS 184 CO 0.01 0.27 -0.05 0.54 -0.57 0.00 0.00 179.45 179.66 1ttt s ASN 185 N -5.28 -0.66 0.31 0.86 2.20 0.05 -4.98 114.94 107.44 1ttt s ASN 185 Ca -0.12 0.16 0.16 0.00 -0.94 0.00 0.00 52.86 52.13 1ttt s ASN 185 Cb 0.23 1.45 0.89 0.00 -2.00 0.00 0.00 41.25 41.82 1ttt s ASN 185 CO 0.77 -0.12 1.44 -2.65 -2.94 0.00 0.00 177.10 173.60 1ttt n PRO 186 N 5.26 0.11 0.00 3.55 -0.02 0.11 -0.13 135.00 143.88 1ttt n PRO 186 Ca 0.04 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1ttt n PRO 186 Cb 0.56 -2.02 0.24 0.00 -0.02 0.00 0.00 33.50 32.26 1ttt n PRO 186 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ttt n LYS 187 N -2.12 0.52 -1.57 -0.52 5.02 -1.26 -4.25 118.16 113.97 1ttt n LYS 187 Ca -0.01 -0.34 -0.47 0.00 -2.02 0.00 0.00 58.31 55.46 1ttt n LYS 187 Cb 0.19 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.94 1.29 -4.50 -0.18 -1.04 0.82 -4.95 114.28 104.79 1ttt n THR 188 Ca 0.09 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.48 1ttt n THR 188 Cb 0.36 -0.85 -0.07 0.00 -1.82 0.00 0.00 70.33 67.95 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 -0.78 2.17 0.44 -2.82 -0.14 -1.26 -4.79 119.74 112.56 1ttt s LYS 189 Ca 0.68 -2.21 -0.26 0.00 -1.36 0.00 0.00 55.97 52.83 1ttt s LYS 189 Cb -0.81 -1.71 -0.09 0.00 -1.68 0.00 0.00 37.83 33.54 1ttt s LYS 189 CO 0.55 -0.32 1.43 0.54 -0.76 0.00 0.00 175.35 176.79 1ttt n ARG 190 N -1.30 2.27 0.00 1.68 1.74 -1.26 -1.42 116.66 118.37 1ttt n ARG 190 Ca -0.11 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1ttt n ARG 190 Cb 0.66 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 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 0.58 2.69 0.26 -0.13 0.00 -1.26 -4.84 105.19 102.50 1ttt n GLY 191 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 0.49 -4.01 1.61 5.08 -1.65 -3.43 114.58 112.67 1ttt h GLU 192 Ca 0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1ttt h GLU 192 Cb 0.00 -0.11 -0.21 0.00 0.50 0.00 0.00 28.75 28.93 1ttt h GLU 192 CO 0.00 0.32 -0.70 1.21 -1.00 0.00 0.00 179.01 178.84 1ttt s ASN 193 N -5.43 0.27 0.00 1.42 3.84 -1.25 -5.02 114.94 108.77 1ttt s ASN 193 Ca -0.13 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.45 1ttt s ASN 193 Cb 0.18 0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.98 1ttt s ASN 193 CO 0.76 -0.29 0.55 1.21 -2.79 0.00 0.00 177.10 176.54 1ttt n GLU 194 N 1.61 0.00 -0.29 0.43 2.13 -1.26 0.10 120.64 123.36 1ttt n GLU 194 Ca -0.24 0.19 0.10 0.00 0.66 0.00 0.00 57.16 57.88 1ttt n GLU 194 Cb 0.55 -1.05 0.24 0.00 0.27 0.00 0.00 31.44 31.45 1ttt n GLU 194 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1ttt h TRP 195 N 0.00 0.18 -0.77 4.31 -0.00 -1.93 1.26 115.95 119.00 1ttt h TRP 195 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.99 1ttt h TRP 195 Cb 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.17 1ttt h TRP 195 CO -0.01 -0.23 0.51 0.28 -0.00 0.00 0.00 178.44 178.98 1ttt h VAL 196 N 0.16 1.09 -0.54 1.49 2.07 -1.87 -0.35 116.25 118.30 1ttt h VAL 196 Ca 0.51 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 1ttt h VAL 196 Cb 0.98 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ttt h VAL 196 CO -0.68 0.17 0.09 0.44 0.02 0.00 0.00 177.57 177.61 1ttt h ASP 197 N 0.91 0.81 -0.85 0.57 3.32 0.56 -2.38 116.42 119.35 1ttt h ASP 197 Ca 0.31 -0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.31 1ttt h ASP 197 Cb 0.11 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1ttt h ASP 197 CO -0.10 0.82 0.55 0.11 -1.72 0.00 0.00 179.24 178.90 1ttt h LYS 198 N 0.81 0.72 -0.70 3.56 1.79 -0.38 0.38 116.57 122.75 1ttt h LYS 198 Ca 0.17 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 1ttt h LYS 198 Cb 0.36 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1ttt h LYS 198 CO 0.01 0.48 0.20 0.82 -1.08 0.00 0.00 179.45 179.87 1ttt h ILE 199 N 0.74 1.26 -0.71 1.86 1.08 -1.32 0.38 117.51 120.79 1ttt h ILE 199 Ca 0.41 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1ttt h ILE 199 Cb 0.55 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1ttt h ILE 199 CO -0.17 0.36 0.47 -0.50 -0.69 0.00 0.00 178.15 177.61 1ttt h TRP 200 N 1.05 0.88 -0.37 1.37 4.06 0.01 0.58 115.95 123.54 1ttt h TRP 200 Ca 0.23 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.16 1ttt h TRP 200 Cb 0.32 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 1ttt h TRP 200 CO 0.03 0.55 0.10 0.93 -3.56 0.00 0.00 178.44 176.49 1ttt h GLU 201 N 0.95 0.58 -0.24 0.49 5.08 0.67 0.35 114.58 122.45 1ttt h GLU 201 Ca 0.26 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1ttt h GLU 201 Cb -0.09 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 1ttt h GLU 201 CO -0.06 0.61 -0.06 1.25 -1.00 0.00 0.00 179.01 179.75 1ttt h LEU 202 N 0.45 -0.22 -0.84 1.33 5.85 0.24 0.12 115.31 122.24 1ttt h LEU 202 Ca 0.12 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1ttt h LEU 202 Cb 0.28 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1ttt h LEU 202 CO -0.00 -0.08 0.51 -0.07 -0.34 0.00 0.00 178.44 178.47 1ttt h LEU 203 N 0.01 0.79 -0.70 2.25 3.38 0.66 0.10 115.31 121.80 1ttt h LEU 203 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ttt h LEU 203 Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ttt h LEU 203 CO -0.25 0.49 0.44 0.44 0.09 0.00 0.00 178.44 179.66 1ttt h ASP 204 N 0.92 0.82 -0.01 -0.43 3.32 0.12 0.13 116.42 121.29 1ttt h ASP 204 Ca 0.38 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.40 1ttt h ASP 204 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1ttt h ASP 204 CO -0.19 0.62 -0.04 0.00 -1.72 0.00 0.00 179.24 177.91 1ttt h ALA 205 N 1.24 -0.03 -0.51 3.45 0.00 -0.06 0.87 119.26 124.22 1ttt h ALA 205 Ca 0.25 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1ttt h ALA 205 Cb -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1ttt h ALA 205 CO -0.05 -0.53 0.03 0.82 0.00 0.00 0.00 179.25 179.52 1ttt h ILE 206 N -0.06 0.63 0.65 0.00 2.04 0.11 0.42 117.51 121.29 1ttt h ILE 206 Ca 0.02 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1ttt h ILE 206 Cb 0.09 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1ttt h ILE 206 CO -0.05 0.03 -0.31 0.44 0.00 0.00 0.00 178.15 178.26 1ttt h ASP 207 N 0.15 -0.74 0.39 1.72 3.32 -0.18 -3.08 116.42 118.00 1ttt h ASP 207 Ca 0.26 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1ttt h ASP 207 Cb 0.38 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ttt h ASP 207 CO -0.40 -0.47 -0.19 -0.33 -1.72 0.00 0.00 179.24 176.14 1ttt h GLU 208 N -0.97 -0.51 -0.26 3.56 4.39 0.21 -3.38 114.58 117.62 1ttt h GLU 208 Ca -0.09 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 1ttt h GLU 208 Cb 0.70 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1ttt h GLU 208 CO 0.15 -0.20 -0.32 -0.92 -1.16 0.00 0.00 179.01 176.56 1ttt h TYR 209 N -0.98 0.82 -3.37 4.33 3.20 -0.39 -3.40 116.97 117.18 1ttt h TYR 209 Ca -0.05 -0.26 -0.58 0.00 3.14 0.00 0.00 58.73 60.97 1ttt h TYR 209 Cb 0.54 -0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 1ttt h TYR 209 CO 0.02 1.00 0.74 0.42 -1.64 0.00 0.00 178.16 178.71 1ttt s ILE 210 N -4.27 4.27 0.43 1.81 1.01 -1.16 -4.98 121.20 118.30 1ttt s ILE 210 Ca -0.12 0.69 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 1ttt s ILE 210 Cb 0.08 -4.58 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 1ttt s ILE 210 CO 0.83 -1.11 1.23 -2.16 0.00 0.00 0.00 174.94 173.73 1ttt s PRO 211 N 4.28 3.89 -0.06 2.79 0.04 -1.26 -4.77 135.00 139.90 1ttt s PRO 211 Ca 0.38 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1ttt s PRO 211 Cb -0.10 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1ttt s PRO 211 CO 0.24 -0.50 1.44 0.99 0.04 0.00 0.00 177.00 179.21 1ttt s THR 212 N -1.37 3.84 1.29 1.26 2.01 -1.26 -4.97 115.64 116.44 1ttt s THR 212 Ca 0.59 1.11 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 1ttt s THR 212 Cb -0.34 -3.71 0.33 0.00 0.01 0.00 0.00 72.50 68.79 1ttt s THR 212 CO 0.42 -0.06 0.85 -0.81 -0.69 0.00 0.00 174.62 174.34 1ttt n PRO 213 N 6.27 -4.21 -3.86 4.92 -0.04 -1.26 -4.99 135.00 131.83 1ttt n PRO 213 Ca 0.15 -1.41 -0.35 0.00 -0.04 0.00 0.00 63.50 61.85 1ttt n PRO 213 Cb 0.44 -1.67 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 1ttt n PRO 213 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ttt s VAL 214 N -2.22 2.99 -0.13 0.52 1.01 -1.26 -5.08 120.40 116.24 1ttt s VAL 214 Ca 0.62 -1.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 1ttt s VAL 214 Cb -0.10 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1ttt s VAL 214 CO 0.51 -0.56 1.00 -0.13 0.00 0.00 0.00 175.10 175.92 1ttt s ARG 215 N 1.11 4.39 -1.01 2.72 3.00 -1.26 -4.98 118.95 122.92 1ttt s ARG 215 Ca 0.06 1.36 -0.11 0.00 0.00 0.00 0.00 55.73 57.04 1ttt s ARG 215 Cb -0.21 -3.56 0.25 0.00 0.00 0.00 0.00 34.95 31.43 1ttt s ARG 215 CO -0.04 -0.35 0.99 -0.51 0.00 0.00 0.00 175.30 175.38 1ttt s ASP 216 N 1.11 7.11 0.01 0.23 1.11 -1.26 -4.80 116.67 120.17 1ttt s ASP 216 Ca 0.47 -3.24 0.12 0.00 0.18 0.00 0.00 52.55 50.09 1ttt s ASP 216 Cb -0.18 -2.21 0.53 0.00 1.07 0.00 0.00 42.92 42.13 1ttt s ASP 216 CO 0.16 -0.41 1.40 0.52 1.18 0.00 0.00 175.17 178.02 1ttt n VAL 217 N 3.23 1.15 0.05 -1.27 0.31 -1.26 -0.48 118.33 120.05 1ttt n VAL 217 Ca 0.20 0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 64.62 1ttt n VAL 217 Cb 0.42 -1.09 -0.15 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.47 -3.21 4.52 3.32 -1.88 -3.34 116.42 116.31 1ttt h ASP 218 Ca 0.00 -0.93 -0.46 0.00 0.02 0.00 0.00 57.03 55.66 1ttt h ASP 218 Cb 0.21 -0.15 0.22 0.00 0.22 0.00 0.00 39.33 39.83 1ttt h ASP 218 CO 0.00 1.46 -0.21 0.29 -1.72 0.00 0.00 179.24 179.06 1ttt n LYS 219 N -4.06 -1.95 -1.80 3.56 4.76 -1.21 -4.80 118.16 112.67 1ttt n LYS 219 Ca -0.16 -0.53 -0.42 0.00 -2.87 0.00 0.00 58.31 54.33 1ttt n LYS 219 Cb 0.86 -2.10 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1ttt n LYS 219 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1ttt s PRO 220 N -4.22 4.14 -0.03 1.97 0.02 -1.26 -2.92 135.00 132.70 1ttt s PRO 220 Ca 0.66 2.55 -0.38 0.00 0.02 0.00 0.00 61.00 63.84 1ttt s PRO 220 Cb -0.23 -3.04 -0.17 0.00 0.02 0.00 0.00 34.50 31.09 1ttt s PRO 220 CO 0.65 -0.63 1.45 0.34 -0.33 0.00 0.00 177.00 178.48 1ttt n PHE 221 N 2.48 1.65 -3.81 6.54 7.35 -1.24 -4.24 117.46 126.19 1ttt n PHE 221 Ca 0.09 0.62 -0.14 0.00 -0.76 0.00 0.00 57.45 57.27 1ttt n PHE 221 Cb 0.37 -2.36 -0.15 0.00 0.35 0.00 0.00 39.48 37.69 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 1.40 1.39 -0.26 -2.13 2.96 0.17 -2.46 118.68 119.75 1ttt s LEU 222 Ca 0.89 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.69 1ttt s LEU 222 Cb -1.00 0.03 0.07 0.00 0.50 0.00 0.00 46.19 45.79 1ttt s LEU 222 CO 0.53 -0.08 0.66 0.00 -1.32 0.00 0.00 176.35 176.14 1ttt s MET 223 N 0.65 0.71 -0.23 1.98 0.23 -0.22 0.13 119.30 122.54 1ttt s MET 223 Ca -0.05 1.09 -0.08 0.00 -1.03 0.00 0.00 55.69 55.62 1ttt s MET 223 Cb -0.08 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1ttt s MET 223 CO -0.02 -0.13 0.09 -1.25 -2.03 0.00 0.00 175.02 171.68 1ttt s PRO 224 N 1.16 3.82 0.27 3.16 0.04 -1.26 0.26 135.00 142.45 1ttt s PRO 224 Ca -0.06 -0.40 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 1ttt s PRO 224 Cb -0.05 -3.35 -0.13 0.00 0.04 0.00 0.00 34.50 31.01 1ttt s PRO 224 CO -0.12 -0.03 1.46 0.28 0.04 0.00 0.00 177.00 178.63 1ttt n VAL 225 N 4.48 1.13 -0.02 -0.36 0.31 -0.71 -4.20 118.33 118.95 1ttt n VAL 225 Ca -0.16 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 63.87 1ttt n VAL 225 Cb 0.52 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 1ttt n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ttt n GLU 226 N 1.85 2.90 -3.51 5.55 2.13 0.11 -2.77 120.64 126.90 1ttt n GLU 226 Ca 0.09 -0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.82 1ttt n GLU 226 Cb 0.34 -1.12 -0.02 0.00 0.27 0.00 0.00 31.44 30.91 1ttt n GLU 226 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ttt s ASP 227 N -3.46 -0.36 -0.01 4.31 -1.08 -0.93 -4.80 116.67 110.36 1ttt s ASP 227 Ca -0.02 -0.01 0.01 0.00 -0.52 0.00 0.00 52.55 52.01 1ttt s ASP 227 Cb 0.02 0.39 -0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1ttt s ASP 227 CO 0.19 -0.63 -0.04 -0.69 0.52 0.00 0.00 175.17 174.53 1ttt s VAL 228 N -3.12 0.32 0.08 1.11 1.01 -1.26 0.19 120.40 118.74 1ttt s VAL 228 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1ttt s VAL 228 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1ttt s VAL 228 CO -0.09 0.10 -0.06 -0.36 0.00 0.00 0.00 175.10 174.69 1ttt s PHE 229 N -0.01 0.76 -0.31 5.22 0.40 0.54 -4.95 117.98 119.64 1ttt s PHE 229 Ca 0.01 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1ttt s PHE 229 Cb -0.03 -0.47 0.06 0.00 0.51 0.00 0.00 43.02 43.10 1ttt s PHE 229 CO -0.00 -0.20 0.01 0.99 0.70 0.00 0.00 175.22 176.72 1ttt s THR 230 N -3.42 2.92 -0.21 0.64 2.01 -1.24 0.41 115.64 116.74 1ttt s THR 230 Ca 0.08 -1.51 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 1ttt s THR 230 Cb 0.04 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1ttt s THR 230 CO -0.05 -0.18 0.37 -0.63 -0.69 0.00 0.00 174.62 173.43 1ttt s ILE 231 N 1.21 5.22 0.58 1.82 -1.09 0.38 -4.93 121.20 124.39 1ttt s ILE 231 Ca -0.04 0.63 -0.19 0.00 -2.23 0.00 0.00 60.65 58.82 1ttt s ILE 231 Cb -0.20 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1ttt s ILE 231 CO -0.02 0.25 0.97 0.41 -1.23 0.00 0.00 174.94 175.32 1ttt n THR 232 N 4.42 3.50 -0.64 2.92 -1.04 -1.26 0.21 114.28 122.39 1ttt n THR 232 Ca -0.09 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.39 1ttt n THR 232 Cb 0.51 -1.16 -0.01 0.00 -1.82 0.00 0.00 70.33 67.85 1ttt n THR 232 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttt n GLY 233 N 1.27 0.23 1.67 3.41 0.00 -1.26 -4.35 105.19 106.15 1ttt n GLY 233 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.34 0.00 -1.48 1.61 1.74 -0.88 -5.17 116.66 112.14 1ttt n ARG 234 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ttt n ARG 234 Cb 0.18 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ttt n ARG 234 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttt n GLY 235 N 2.19 0.33 3.41 -0.13 0.00 0.58 -4.95 105.19 106.62 1ttt n GLY 235 Ca 0.00 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.14 4.93 -0.16 2.61 2.01 -1.25 0.14 115.64 120.78 1ttt s THR 236 Ca 0.00 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 1ttt s THR 236 Cb 0.00 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1ttt s THR 236 CO 0.00 -0.87 0.07 -0.69 -0.69 0.00 0.00 174.62 172.44 1ttt s VAL 237 N 2.44 4.89 -0.34 3.82 1.01 1.38 -2.14 120.40 131.45 1ttt s VAL 237 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1ttt s VAL 237 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ttt s VAL 237 CO 0.09 0.50 0.20 0.00 0.00 0.00 0.00 175.10 175.89 1ttt s ALA 238 N -0.03 3.35 -0.07 5.51 0.00 0.13 0.20 121.76 130.85 1ttt s ALA 238 Ca 0.07 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 1ttt s ALA 238 Cb -0.12 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1ttt s ALA 238 CO 0.01 -1.07 0.25 0.95 0.00 0.00 0.00 175.76 175.90 1ttt s THR 239 N 1.63 5.31 0.09 0.00 -4.23 0.13 -2.01 115.64 116.57 1ttt s THR 239 Ca 0.04 0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 1ttt s THR 239 Cb -0.18 -3.53 0.09 0.00 1.34 0.00 0.00 72.50 70.22 1ttt s THR 239 CO 0.08 0.60 1.11 -0.83 -0.54 0.00 0.00 174.62 175.04 1ttt s GLY 240 N -1.05 -0.18 -0.36 3.99 0.00 -0.98 0.04 107.32 108.78 1ttt s GLY 240 Ca 0.19 0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 1ttt s GLY 240 CO 0.08 1.28 0.15 -1.60 0.00 0.00 0.00 173.10 173.01 1ttt s ARG 241 N -2.60 2.67 -0.09 2.90 3.00 -1.26 -0.67 118.95 122.91 1ttt s ARG 241 Ca 0.17 -1.18 -0.34 0.00 -1.00 0.00 0.00 55.73 53.38 1ttt s ARG 241 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 34.95 31.27 1ttt s ARG 241 CO 0.01 -0.71 1.91 -0.89 0.00 0.00 0.00 175.30 175.62 1ttt n ILE 242 N 4.88 0.59 -0.05 4.11 5.41 -0.51 -4.35 119.36 129.44 1ttt n ILE 242 Ca -0.12 -0.12 -0.14 0.00 1.00 0.00 0.00 62.75 63.37 1ttt n ILE 242 Cb 0.45 -1.94 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 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 9.60 0.35 -3.08 0.38 4.57 0.65 -1.94 114.58 125.11 1ttt h GLU 243 Ca -0.48 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 57.46 1ttt h GLU 243 Cb 1.27 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.76 1ttt h GLU 243 CO 0.95 0.80 0.15 -0.98 -1.18 0.00 0.00 179.01 178.75 1ttt s ARG 244 N -4.09 1.26 3.95 1.92 1.70 -1.05 -4.72 118.95 117.92 1ttt s ARG 244 Ca -0.14 -0.54 0.00 0.00 -0.47 0.00 0.00 55.73 54.58 1ttt s ARG 244 Cb 0.05 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1ttt s ARG 244 CO 0.76 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.85 1ttt n GLY 245 N -0.35 0.81 3.67 3.88 0.00 0.36 0.47 105.19 114.02 1ttt n GLY 245 Ca -0.16 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 2.47 1.08 -3.75 1.61 2.85 -1.26 -1.23 118.16 119.93 1ttt n LYS 246 Ca 0.00 -2.12 -0.13 0.00 -1.05 0.00 0.00 58.31 55.00 1ttt n LYS 246 Cb 0.00 2.66 -0.09 0.00 -0.65 0.00 0.00 35.03 36.95 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 -2.12 0.05 0.01 0.58 -7.23 -0.15 -4.64 120.40 106.90 1ttt s VAL 247 Ca 0.16 -0.43 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1ttt s VAL 247 Cb -0.05 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 1ttt s VAL 247 CO 0.11 -0.23 0.03 -1.59 -0.31 0.00 0.00 175.10 173.11 1ttt s LYS 248 N -1.23 0.36 0.39 4.82 0.00 -1.26 0.87 119.74 123.69 1ttt s LYS 248 Ca -0.13 -0.50 -0.25 0.00 0.00 0.00 0.00 55.97 55.09 1ttt s LYS 248 Cb -0.05 0.14 -0.11 0.00 0.00 0.00 0.00 37.83 37.81 1ttt s LYS 248 CO 0.04 -0.07 1.03 0.28 0.00 0.00 0.00 175.35 176.63 1ttt n VAL 249 N 1.61 2.30 0.00 1.79 0.31 -1.26 -0.42 118.33 122.67 1ttt n VAL 249 Ca -0.23 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 1ttt n VAL 249 Cb 0.55 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 1.15 3.00 3.77 2.92 0.00 0.22 -4.98 105.19 111.26 1ttt n GLY 250 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 6.84 -0.08 1.61 1.01 0.44 -4.68 116.67 121.77 1ttt s ASP 251 Ca 0.00 2.32 -0.04 0.00 0.71 0.00 0.00 52.55 55.54 1ttt s ASP 251 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1ttt s ASP 251 CO 0.00 -0.45 0.09 -0.70 0.21 0.00 0.00 175.17 174.31 1ttt s GLU 252 N -1.98 3.23 0.26 8.23 2.12 -1.26 0.25 118.70 129.56 1ttt s GLU 252 Ca 0.52 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.58 1ttt s GLU 252 Cb -0.31 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1ttt s GLU 252 CO 0.39 0.73 0.11 0.14 -0.54 0.00 0.00 175.26 176.09 1ttt s VAL 253 N -1.02 0.49 -0.14 3.70 -7.23 1.04 -4.60 120.40 112.64 1ttt s VAL 253 Ca 0.16 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1ttt s VAL 253 Cb -0.12 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1ttt s VAL 253 CO 0.06 0.00 0.08 -0.70 -0.31 0.00 0.00 175.10 174.23 1ttt s GLU 254 N -4.00 3.55 -0.41 4.82 2.12 0.16 -0.92 118.70 124.02 1ttt s GLU 254 Ca 0.37 -0.28 -0.07 0.00 0.36 0.00 0.00 54.97 55.35 1ttt s GLU 254 Cb 0.07 -3.11 0.08 0.00 0.26 0.00 0.00 34.13 31.43 1ttt s GLU 254 CO 0.14 0.56 0.23 0.42 -0.54 0.00 0.00 175.26 176.08 1ttt s ILE 255 N -0.44 3.96 0.18 -3.70 1.01 -0.32 0.94 121.20 122.84 1ttt s ILE 255 Ca 0.10 -1.53 0.07 0.00 0.00 0.00 0.00 60.65 59.29 1ttt s ILE 255 Cb -0.12 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ttt s ILE 255 CO 0.02 -0.52 0.04 -0.69 0.00 0.00 0.00 174.94 173.79 1ttt s VAL 256 N 1.36 3.93 0.13 2.92 1.01 -0.11 -2.27 120.40 127.37 1ttt s VAL 256 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1ttt s VAL 256 Cb -0.23 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ttt s VAL 256 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1ttt n GLY 257 N -0.30 -2.42 2.66 4.51 0.00 -1.26 -2.00 105.19 106.37 1ttt n GLY 257 Ca -0.09 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.77 -0.53 -3.52 0.99 4.77 0.59 -4.80 117.00 111.73 1ttt n LEU 258 Ca -0.02 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1ttt n LEU 258 Cb 0.16 -2.47 -0.04 0.00 -2.33 0.00 0.00 43.42 38.75 1ttt n LEU 258 CO 0.01 -0.93 0.59 0.00 -1.33 0.00 0.00 177.39 175.73 1ttt s ALA 259 N -2.11 -1.81 0.01 -1.18 0.00 -1.26 -4.96 121.76 110.45 1ttt s ALA 259 Ca 0.00 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 1ttt s ALA 259 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 1ttt s ALA 259 CO 0.00 -0.48 0.69 -0.35 0.00 0.00 0.00 175.76 175.62 1ttt n PRO 260 N 0.41 -0.02 -4.46 0.00 -0.04 -1.26 -4.46 135.00 125.17 1ttt n PRO 260 Ca -0.14 0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 63.79 1ttt n PRO 260 Cb 0.60 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.88 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 -3.17 1.12 0.49 0.54 0.41 -1.26 -5.05 118.70 111.78 1ttt s GLU 261 Ca -0.01 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 53.50 1ttt s GLU 261 Cb 0.01 -1.18 -0.08 0.00 -1.78 0.00 0.00 34.13 31.10 1ttt s GLU 261 CO 0.03 0.30 1.08 0.95 -0.49 0.00 0.00 175.26 177.13 1ttt s THR 262 N -0.85 3.51 0.29 3.63 -4.23 -1.26 -4.97 115.64 111.76 1ttt s THR 262 Ca 0.04 0.98 0.07 0.00 -1.18 0.00 0.00 61.69 61.60 1ttt s THR 262 Cb -0.08 -3.42 -0.06 0.00 1.34 0.00 0.00 72.50 70.28 1ttt s THR 262 CO 0.02 -0.16 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.27 1ttt s ARG 263 N -3.11 1.61 0.17 3.99 3.52 -0.96 -4.96 118.95 119.21 1ttt s ARG 263 Ca 0.68 -1.82 0.07 0.00 -0.13 0.00 0.00 55.73 54.53 1ttt s ARG 263 Cb -0.21 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 1ttt s ARG 263 CO 0.25 0.06 0.02 0.15 -0.81 0.00 0.00 175.30 174.97 1ttt s LYS 264 N -3.70 2.49 0.15 5.12 1.02 -1.26 -1.17 119.74 122.39 1ttt s LYS 264 Ca 0.30 -1.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 1ttt s LYS 264 Cb 0.03 -2.41 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 1ttt s LYS 264 CO 0.13 0.46 0.54 0.99 -0.92 0.00 0.00 175.35 176.55 1ttt s THR 265 N -1.74 0.02 -0.11 2.17 2.01 -0.09 -4.96 115.64 112.94 1ttt s THR 265 Ca 0.28 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.06 1ttt s THR 265 Cb -0.09 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1ttt s THR 265 CO 0.19 -0.10 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.26 1ttt s VAL 266 N -3.77 3.54 -0.17 3.82 1.01 -1.26 0.34 120.40 123.91 1ttt s VAL 266 Ca 0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1ttt s VAL 266 Cb -0.00 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1ttt s VAL 266 CO -0.12 0.55 1.06 0.54 0.00 0.00 0.00 175.10 177.13 1ttt s VAL 267 N -0.17 4.65 -0.25 2.92 0.11 0.70 -1.66 120.40 126.70 1ttt s VAL 267 Ca 0.02 1.96 0.12 0.00 -2.93 0.00 0.00 61.98 61.15 1ttt s VAL 267 Cb -0.13 -4.26 0.55 0.00 -1.53 0.00 0.00 36.38 31.00 1ttt s VAL 267 CO 0.03 -0.10 1.50 0.35 -3.33 0.00 0.00 175.10 173.55 1ttt n THR 268 N 5.00 2.50 -3.63 5.04 -2.24 -0.23 0.71 114.28 121.43 1ttt n THR 268 Ca 0.11 -2.21 -0.07 0.00 -2.27 0.00 0.00 64.05 59.61 1ttt n THR 268 Cb 0.47 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.07 0.01 -0.10 3.38 0.00 -1.24 -4.75 107.32 102.54 1ttt s GLY 269 Ca 0.45 2.84 -0.04 0.00 0.00 0.00 0.00 44.72 47.97 1ttt s GLY 269 CO 0.06 1.66 0.21 0.14 0.00 0.00 0.00 173.10 175.16 1ttt s VAL 270 N -0.19 -0.28 0.07 1.40 1.01 -1.26 -2.03 120.40 119.13 1ttt s VAL 270 Ca 0.04 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1ttt s VAL 270 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1ttt s VAL 270 CO -0.08 0.12 0.09 -1.61 0.00 0.00 0.00 175.10 173.63 1ttt s GLU 271 N 2.15 0.75 -0.19 2.72 2.02 -0.93 -1.48 118.70 123.74 1ttt s GLU 271 Ca 0.00 -1.09 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 1ttt s GLU 271 Cb -0.12 0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.45 1ttt s GLU 271 CO -0.07 -0.20 0.05 1.41 0.02 0.00 0.00 175.26 176.47 1ttt s MET 272 N -3.89 0.45 -1.15 1.61 1.75 -0.33 -1.07 119.30 116.66 1ttt s MET 272 Ca 0.07 -0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.17 1ttt s MET 272 Cb 0.06 -2.01 -0.03 0.00 2.84 0.00 0.00 34.83 35.69 1ttt s MET 272 CO -0.10 -0.66 0.93 0.72 -0.65 0.00 0.00 175.02 175.27 1ttt n HIS 273 N 5.13 -2.25 -2.80 4.11 8.25 -1.26 -2.37 115.22 124.02 1ttt n HIS 273 Ca -0.08 0.88 -0.21 0.00 -0.26 0.00 0.00 57.72 58.05 1ttt n HIS 273 Cb 0.48 -4.59 0.01 0.00 1.12 0.00 0.00 29.99 27.00 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 -3.82 -3.45 -4.01 -0.41 1.74 -1.26 -4.97 116.66 100.49 1ttt n ARG 274 Ca -0.20 0.86 -0.13 0.00 -0.77 0.00 0.00 57.85 57.60 1ttt n ARG 274 Cb 0.65 -5.62 -0.14 0.00 -1.02 0.00 0.00 32.46 26.33 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 -5.46 0.23 0.35 5.56 1.02 -1.00 -4.55 119.74 115.89 1ttt s LYS 275 Ca 0.19 -0.18 -0.28 0.00 0.02 0.00 0.00 55.97 55.71 1ttt s LYS 275 Cb -0.09 -0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 36.94 1ttt s LYS 275 CO 0.23 0.04 1.49 0.99 -0.92 0.00 0.00 175.35 177.18 1ttt s THR 276 N -0.27 2.13 -0.03 2.17 2.01 -0.44 -1.18 115.64 120.03 1ttt s THR 276 Ca -0.01 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.17 1ttt s THR 276 Cb -0.02 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1ttt s THR 276 CO -0.00 0.03 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.57 1ttt s LEU 277 N -1.74 1.97 0.01 4.42 2.96 -0.55 -1.14 118.68 124.61 1ttt s LEU 277 Ca 0.54 -0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 53.88 1ttt s LEU 277 Cb -0.46 -0.90 -0.16 0.00 0.50 0.00 0.00 46.19 45.18 1ttt s LEU 277 CO 0.59 0.18 1.19 1.56 -1.32 0.00 0.00 176.35 178.55 1ttt h GLN 278 N 5.96 -0.58 -3.28 1.98 1.08 -1.89 -3.42 115.11 114.96 1ttt h GLN 278 Ca -0.35 0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 56.58 1ttt h GLN 278 Cb 1.16 0.13 -0.36 0.00 -0.05 0.00 0.00 27.48 28.37 1ttt h GLN 278 CO 0.48 -0.27 -0.68 -2.00 -0.95 0.00 0.00 178.83 175.41 1ttt s GLU 279 N -4.66 -0.00 0.40 1.46 2.12 -1.26 -4.13 118.70 112.62 1ttt s GLU 279 Ca -0.14 0.39 -0.19 0.00 0.36 0.00 0.00 54.97 55.39 1ttt s GLU 279 Cb 0.02 -0.32 -0.10 0.00 0.26 0.00 0.00 34.13 33.99 1ttt s GLU 279 CO 0.50 -0.26 0.89 0.20 -0.54 0.00 0.00 175.26 176.05 1ttt s GLY 280 N 1.78 2.37 0.28 -1.50 0.00 0.25 -4.88 107.32 105.62 1ttt s GLY 280 Ca -0.01 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.02 1ttt s GLY 280 CO -0.04 0.56 0.12 -0.26 0.00 0.00 0.00 173.10 173.48 1ttt s ILE 281 N -2.14 0.45 -0.10 0.90 -4.36 -1.26 -0.98 121.20 113.72 1ttt s ILE 281 Ca 0.60 -2.00 -0.37 0.00 -0.26 0.00 0.00 60.65 58.62 1ttt s ILE 281 Cb -0.09 -2.57 -0.14 0.00 1.25 0.00 0.00 42.46 40.90 1ttt s ILE 281 CO 0.15 0.00 1.70 0.00 0.24 0.00 0.00 174.94 177.02 1ttt n ALA 282 N -0.52 0.23 0.00 2.27 0.00 -0.37 -0.58 120.51 121.54 1ttt n ALA 282 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ttt n ALA 282 Cb 0.66 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 3.87 2.49 3.77 0.00 0.00 -0.73 -4.80 105.19 109.79 1ttt n GLY 283 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.44 7.31 -0.40 1.61 1.01 0.25 -4.79 116.67 120.22 1ttt s ASP 284 Ca 0.00 1.97 -0.15 0.00 0.71 0.00 0.00 52.55 55.08 1ttt s ASP 284 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1ttt s ASP 284 CO 0.00 -0.10 0.30 0.21 0.21 0.00 0.00 175.17 175.79 1ttt s ASN 285 N -1.38 6.11 0.10 0.27 3.04 -1.26 -1.43 114.94 120.39 1ttt s ASN 285 Ca 0.48 -0.84 0.00 0.00 0.04 0.00 0.00 52.86 52.54 1ttt s ASN 285 Cb -0.23 -2.16 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 1ttt s ASN 285 CO 0.29 -0.43 0.03 1.33 -3.04 0.00 0.00 177.10 175.27 1ttt n VAL 286 N 5.17 0.00 -4.20 -5.21 0.24 0.16 -4.53 118.33 109.96 1ttt n VAL 286 Ca -0.11 -0.43 -0.16 0.00 -2.04 0.00 0.00 64.34 61.59 1ttt n VAL 286 Cb 0.47 -0.08 -0.14 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.69 0.35 0.00 7.63 0.00 -0.23 -2.32 107.32 111.06 1ttt s GLY 287 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1ttt s GLY 287 CO 0.01 -0.32 -0.09 1.08 0.00 0.00 0.00 173.10 173.78 1ttt s LEU 288 N -0.37 2.05 -0.09 0.66 1.43 -0.85 -2.19 118.68 119.32 1ttt s LEU 288 Ca 0.01 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1ttt s LEU 288 Cb -0.04 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 1ttt s LEU 288 CO -0.00 0.07 0.15 -0.22 0.23 0.00 0.00 176.35 176.58 1ttt s LEU 289 N -0.41 4.37 -0.16 1.79 2.96 -0.86 -0.69 118.68 125.69 1ttt s LEU 289 Ca 0.02 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1ttt s LEU 289 Cb -0.04 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1ttt s LEU 289 CO -0.00 0.37 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.50 1ttt s LEU 290 N -1.26 1.78 -0.55 -0.68 1.43 -0.91 -1.07 118.68 117.42 1ttt s LEU 290 Ca 0.18 -0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.42 1ttt s LEU 290 Cb -0.12 -1.21 -0.13 0.00 0.03 0.00 0.00 46.19 44.76 1ttt s LEU 290 CO 0.08 -0.06 2.38 -1.14 0.23 0.00 0.00 176.35 177.83 1ttt n ARG 291 N 4.75 0.77 -3.23 1.70 0.63 -0.66 -3.50 116.66 117.13 1ttt n ARG 291 Ca -0.17 0.13 -0.24 0.00 -0.92 0.00 0.00 57.85 56.65 1ttt n ARG 291 Cb 0.50 -2.47 0.03 0.00 0.45 0.00 0.00 32.46 30.96 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 6.42 -0.54 3.07 5.14 0.00 -1.26 -4.66 105.19 113.35 1ttt n GLY 292 Ca 0.47 1.10 -0.12 0.00 0.00 0.00 0.00 46.02 47.46 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 -1.83 -0.16 0.80 1.61 -7.23 -1.23 -5.05 120.40 107.31 1ttt s VAL 293 Ca 0.30 0.18 -0.07 0.00 -1.81 0.00 0.00 61.98 60.58 1ttt s VAL 293 Cb -0.05 -0.43 0.14 0.00 0.56 0.00 0.00 36.38 36.61 1ttt s VAL 293 CO 0.78 0.07 1.11 -0.94 -0.31 0.00 0.00 175.10 175.81 1ttt s SER 294 N 1.65 3.98 0.19 4.85 1.04 -1.26 -4.54 113.70 119.61 1ttt s SER 294 Ca -0.06 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 1ttt s SER 294 Cb -0.11 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 65.89 1ttt s SER 294 CO -0.09 -2.13 1.82 -0.09 0.98 0.00 0.00 173.24 173.73 1ttt h ARG 295 N -0.91 0.92 0.00 4.02 2.43 -1.96 0.11 114.38 119.00 1ttt h ARG 295 Ca -0.40 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1ttt h ARG 295 Cb 1.26 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1ttt h ARG 295 CO 0.42 0.67 0.19 0.93 -1.51 0.00 0.00 179.97 180.67 1ttt h GLU 296 N 0.91 0.00 -0.01 0.20 5.08 -2.04 -0.42 114.58 118.30 1ttt h GLU 296 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ttt h GLU 296 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ttt h GLU 296 CO -0.04 0.00 -0.18 0.39 -1.00 0.00 0.00 179.01 178.18 1ttt n GLU 297 N -2.47 1.53 -4.14 2.33 1.02 0.37 -4.91 120.64 114.37 1ttt n GLU 297 Ca -0.02 -0.99 -0.19 0.00 -0.02 0.00 0.00 57.16 55.95 1ttt n GLU 297 Cb 0.23 -1.24 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.54 0.47 0.05 2.62 1.01 -0.17 -4.93 120.40 117.91 1ttt s VAL 298 Ca 0.14 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1ttt s VAL 298 Cb 0.12 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1ttt s VAL 298 CO 0.29 0.20 0.45 -1.83 0.00 0.00 0.00 175.10 174.21 1ttt s GLU 299 N 0.76 0.96 0.09 2.72 -1.05 -1.26 -4.74 118.70 116.17 1ttt s GLU 299 Ca -0.10 -0.32 -0.37 0.00 -0.15 0.00 0.00 54.97 54.04 1ttt s GLU 299 Cb -0.13 0.43 -0.17 0.00 -0.44 0.00 0.00 34.13 33.83 1ttt s GLU 299 CO -0.00 -0.34 1.32 -2.13 0.95 0.00 0.00 175.26 175.06 1ttt n ARG 300 N 0.46 1.12 0.00 -4.83 0.63 -1.26 -1.59 116.66 111.18 1ttt n ARG 300 Ca -0.18 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1ttt n ARG 300 Cb 0.60 -2.03 0.00 0.00 0.45 0.00 0.00 32.46 31.48 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 2.46 1.78 1.74 5.14 0.00 -1.11 -4.90 105.19 110.30 1ttt n GLY 301 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1ttt n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ttt n GLN 302 N -0.23 0.15 -4.13 1.61 6.02 -0.62 -4.42 117.38 115.75 1ttt n GLN 302 Ca 0.00 -1.17 -0.15 0.00 -0.01 0.00 0.00 57.00 55.67 1ttt n GLN 302 Cb 0.00 -0.35 -0.14 0.00 1.02 0.00 0.00 30.24 30.77 1ttt n GLN 302 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ttt s VAL 303 N -1.43 0.41 -0.14 5.09 1.01 -0.85 -1.74 120.40 122.74 1ttt s VAL 303 Ca 0.30 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1ttt s VAL 303 Cb -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1ttt s VAL 303 CO 0.20 0.03 0.10 -0.76 0.00 0.00 0.00 175.10 174.67 1ttt s LEU 304 N -0.35 4.10 0.00 3.92 1.43 0.71 -0.93 118.68 127.56 1ttt s LEU 304 Ca -0.00 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1ttt s LEU 304 Cb -0.03 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1ttt s LEU 304 CO -0.00 0.31 0.56 0.00 0.23 0.00 0.00 176.35 177.45 1ttt n ALA 305 N 2.67 -0.95 -1.81 4.21 0.00 0.27 -1.06 120.51 123.84 1ttt n ALA 305 Ca -0.18 -1.25 -0.41 0.00 0.00 0.00 0.00 53.44 51.60 1ttt n ALA 305 Cb 0.54 1.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.97 1ttt n ALA 305 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ttt s LYS 306 N -2.37 4.23 0.20 0.00 2.20 -1.03 0.39 119.74 123.36 1ttt s LYS 306 Ca 0.19 2.38 -0.32 0.00 -0.36 0.00 0.00 55.97 57.87 1ttt s LYS 306 Cb -0.03 -3.05 -0.11 0.00 -1.51 0.00 0.00 37.83 33.13 1ttt s LYS 306 CO 0.14 -0.41 1.68 -2.14 -0.36 0.00 0.00 175.35 174.25 1ttt s PRO 307 N -1.19 4.15 0.00 4.03 0.02 -1.26 -1.04 135.00 139.71 1ttt s PRO 307 Ca 0.55 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1ttt s PRO 307 Cb -0.43 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1ttt s PRO 307 CO 0.51 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1ttt n GLY 308 N 3.90 0.31 0.19 0.52 0.00 -1.26 -4.83 105.19 104.01 1ttt n GLY 308 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.16 1.61 4.64 -1.45 -3.46 113.55 110.74 1ttt h SER 309 Ca 0.00 -0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 60.85 1ttt h SER 309 Cb 0.37 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.17 1ttt h SER 309 CO 0.00 0.00 -0.80 -0.63 -0.87 0.00 0.00 176.83 174.53 1ttt s ILE 310 N -3.20 1.01 -0.21 0.95 1.01 -1.26 -5.03 121.20 114.47 1ttt s ILE 310 Ca 0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1ttt s ILE 310 Cb 0.07 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1ttt s ILE 310 CO 0.67 0.29 -0.01 0.42 0.00 0.00 0.00 174.94 176.30 1ttt s THR 311 N -0.29 3.74 0.62 2.92 -4.23 -1.26 -5.06 115.64 112.08 1ttt s THR 311 Ca 0.05 -0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.03 1ttt s THR 311 Cb -0.05 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 1ttt s THR 311 CO -0.00 0.42 1.06 -2.16 -0.54 0.00 0.00 174.62 173.40 1ttt s PRO 312 N 1.22 3.18 0.23 3.99 0.04 -1.26 -4.42 135.00 137.98 1ttt s PRO 312 Ca 0.03 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.26 1ttt s PRO 312 Cb -0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1ttt s PRO 312 CO 0.00 -0.92 0.14 -1.01 0.04 0.00 0.00 177.00 175.25 1ttt s HIS 313 N -2.54 1.32 0.00 0.56 3.76 0.35 -4.75 115.29 114.00 1ttt s HIS 313 Ca 0.63 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1ttt s HIS 313 Cb -0.16 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 32.87 1ttt s HIS 313 CO 0.40 -0.60 0.00 0.25 -0.85 0.00 0.00 174.74 173.94 1ttt n THR 314 N -0.36 0.00 -4.94 1.30 -2.24 -1.08 0.82 114.28 107.78 1ttt n THR 314 Ca 0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 1ttt n THR 314 Cb 0.66 -0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.06 1.64 0.12 -0.78 1.02 -1.26 0.16 119.74 119.59 1ttt s LYS 315 Ca 0.00 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1ttt s LYS 315 Cb 0.00 -1.63 0.07 0.00 -0.52 0.00 0.00 37.83 35.75 1ttt s LYS 315 CO 0.00 0.44 0.76 -0.59 -0.92 0.00 0.00 175.35 175.04 1ttt s PHE 316 N -0.57 -0.37 0.09 3.18 -0.71 0.27 0.12 117.98 119.98 1ttt s PHE 316 Ca 0.08 0.14 -0.09 0.00 -1.04 0.00 0.00 56.93 56.01 1ttt s PHE 316 Cb -0.08 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1ttt s PHE 316 CO -0.00 -0.81 0.40 -2.00 -1.34 0.00 0.00 175.22 171.48 1ttt s GLU 317 N -3.51 3.75 -0.11 1.99 2.12 -0.02 0.20 118.70 123.11 1ttt s GLU 317 Ca 0.05 0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.29 1ttt s GLU 317 Cb -0.02 -2.97 0.06 0.00 0.26 0.00 0.00 34.13 31.46 1ttt s GLU 317 CO -0.07 0.54 0.58 0.00 -0.54 0.00 0.00 175.26 175.77 1ttt s ALA 318 N -1.44 -1.48 -0.17 6.30 0.00 -0.38 0.12 121.76 124.70 1ttt s ALA 318 Ca 0.34 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.46 1ttt s ALA 318 Cb -0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1ttt s ALA 318 CO 0.19 -0.32 0.25 0.45 0.00 0.00 0.00 175.76 176.33 1ttt s SER 319 N -0.63 6.37 0.15 0.00 0.15 -1.03 -1.96 113.70 116.74 1ttt s SER 319 Ca -0.07 0.42 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1ttt s SER 319 Cb -0.03 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1ttt s SER 319 CO 0.05 0.12 -0.04 -0.69 1.20 0.00 0.00 173.24 173.88 1ttt s VAL 320 N 0.46 0.85 -0.10 4.45 1.01 -1.13 -2.25 120.40 123.69 1ttt s VAL 320 Ca 0.14 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.15 1ttt s VAL 320 Cb -0.12 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1ttt s VAL 320 CO 0.02 -0.64 -0.18 -0.47 0.00 0.00 0.00 175.10 173.83 1ttt s TYR 321 N -3.53 2.14 -0.25 5.22 5.04 0.85 -2.11 117.35 124.69 1ttt s TYR 321 Ca 0.19 -0.93 -0.12 0.00 -2.44 0.00 0.00 57.07 53.77 1ttt s TYR 321 Cb 0.05 -1.48 -0.05 0.00 0.35 0.00 0.00 41.96 40.83 1ttt s TYR 321 CO 0.01 -0.43 0.25 0.42 -1.34 0.00 0.00 175.55 174.47 1ttt s ILE 322 N 0.67 5.28 0.79 3.14 -1.09 0.51 -1.40 121.20 129.09 1ttt s ILE 322 Ca -0.13 0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.51 1ttt s ILE 322 Cb -0.16 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 1ttt s ILE 322 CO 0.03 0.26 1.15 -0.76 -1.23 0.00 0.00 174.94 174.39 1ttt s LEU 323 N 1.56 3.12 0.33 2.97 1.43 0.33 -0.80 118.68 127.62 1ttt s LEU 323 Ca 0.11 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.23 1ttt s LEU 323 Cb -0.15 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 1ttt s LEU 323 CO 0.08 -2.37 0.68 -0.54 0.23 0.00 0.00 176.35 174.43 1ttt s LYS 324 N -4.39 3.81 0.41 1.70 1.02 -1.26 -3.34 119.74 117.69 1ttt s LYS 324 Ca 0.68 0.39 0.17 0.00 0.02 0.00 0.00 55.97 57.23 1ttt s LYS 324 Cb -0.23 -2.50 1.07 0.00 -0.52 0.00 0.00 37.83 35.65 1ttt s LYS 324 CO 0.51 0.13 1.84 -0.22 -0.92 0.00 0.00 175.35 176.68 1ttt h LYS 325 N 1.83 0.41 -0.37 1.68 3.64 -1.66 1.26 116.57 123.36 1ttt h LYS 325 Ca -0.47 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 1ttt h LYS 325 Cb 1.18 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1ttt h LYS 325 CO 0.66 0.27 -0.17 1.49 -2.27 0.00 0.00 179.45 179.43 1ttt h GLU 326 N 0.42 0.68 -0.89 1.90 4.81 -1.88 -1.84 114.58 117.79 1ttt h GLU 326 Ca 0.50 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1ttt h GLU 326 Cb 1.22 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1ttt h GLU 326 CO -0.20 0.82 0.12 0.39 -0.73 0.00 0.00 179.01 179.41 1ttt n GLU 327 N -4.14 2.31 -0.99 1.92 1.02 0.41 -4.82 120.64 116.34 1ttt n GLU 327 Ca 0.01 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.72 1ttt n GLU 327 Cb 0.39 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.06 0.90 0.00 0.62 0.00 -0.69 -4.76 105.19 101.32 1ttt n GLY 328 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.12 -1.41 3.85 -0.02 0.00 0.35 -4.59 105.19 101.25 1ttt n GLY 329 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 0.07 -0.14 1.61 0.52 -1.26 -4.40 118.95 115.36 1ttt s ARG 330 Ca 0.00 -0.36 0.22 0.00 -0.52 0.00 0.00 55.73 55.06 1ttt s ARG 330 Cb 0.00 -1.78 0.43 0.00 0.52 0.00 0.00 34.95 34.12 1ttt s ARG 330 CO 0.00 -2.80 1.16 -2.39 0.02 0.00 0.00 175.30 171.29 1ttt n HIS 331 N -4.05 0.36 -3.43 -0.53 1.44 -1.26 -2.26 115.22 105.48 1ttt n HIS 331 Ca 0.15 -1.28 -0.12 0.00 -2.01 0.00 0.00 57.72 54.46 1ttt n HIS 331 Cb 0.59 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.68 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 -1.58 0.00 0.80 0.61 -4.23 -1.26 -5.03 115.64 104.94 1ttt s THR 332 Ca 0.26 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1ttt s THR 332 Cb 0.33 -1.00 0.15 0.00 1.34 0.00 0.00 72.50 73.32 1ttt s THR 332 CO -0.10 0.00 1.10 -0.83 -0.54 0.00 0.00 174.62 174.25 1ttt s GLY 333 N -2.59 1.77 0.17 3.99 0.00 -1.26 -4.39 107.32 105.01 1ttt s GLY 333 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.07 1ttt s GLY 333 CO -0.11 -0.94 0.28 -0.11 0.00 0.00 0.00 173.10 172.23 1ttt s PHE 334 N -3.38 0.44 0.05 1.90 -0.12 -0.15 -4.94 117.98 111.77 1ttt s PHE 334 Ca 0.69 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.78 1ttt s PHE 334 Cb -0.05 -0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1ttt s PHE 334 CO 0.47 -0.72 0.02 1.19 -0.05 0.00 0.00 175.22 176.13 1ttt n PHE 335 N -0.22 -0.02 -1.70 3.49 3.72 -1.26 -1.04 117.46 120.43 1ttt n PHE 335 Ca -0.07 -0.33 -0.39 0.00 -0.05 0.00 0.00 57.45 56.61 1ttt n PHE 335 Cb 0.63 0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.21 1ttt n PHE 335 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ttt n THR 336 N -0.10 3.36 0.00 4.37 -1.04 -1.26 -1.80 114.28 117.80 1ttt n THR 336 Ca -0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1ttt n THR 336 Cb 0.07 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.88 1.63 3.72 3.41 0.00 -0.58 -5.00 105.19 109.25 1ttt n GLY 337 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.39 3.13 -0.37 1.61 5.04 -0.75 -4.76 117.35 118.86 1ttt s TYR 338 Ca 0.00 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1ttt s TYR 338 Cb 0.00 -3.81 0.14 0.00 0.35 0.00 0.00 41.96 38.64 1ttt s TYR 338 CO 0.00 -2.89 0.22 -0.98 -1.34 0.00 0.00 175.55 170.56 1ttt s ARG 339 N 0.90 0.74 0.43 4.97 1.70 -1.26 0.38 118.95 126.80 1ttt s ARG 339 Ca 0.66 -1.51 0.02 0.00 -0.47 0.00 0.00 55.73 54.44 1ttt s ARG 339 Cb -0.41 -1.56 0.08 0.00 -0.57 0.00 0.00 34.95 32.49 1ttt s ARG 339 CO 0.32 -1.20 0.59 -0.35 -1.08 0.00 0.00 175.30 173.58 1ttt n PRO 340 N 3.90 0.37 -4.09 3.89 -0.04 -1.07 -4.70 135.00 133.27 1ttt n PRO 340 Ca 0.11 -1.81 -0.36 0.00 -0.04 0.00 0.00 63.50 61.41 1ttt n PRO 340 Cb 0.37 -0.33 -0.08 0.00 -0.04 0.00 0.00 33.50 33.42 1ttt n PRO 340 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ttt s GLN 341 N -3.95 3.38 -0.19 0.54 1.11 -0.57 -1.02 119.66 118.97 1ttt s GLN 341 Ca 0.41 -0.28 -0.05 0.00 0.01 0.00 0.00 55.36 55.45 1ttt s GLN 341 Cb -0.03 -3.05 -0.03 0.00 -1.01 0.00 0.00 33.01 28.90 1ttt s GLN 341 CO 0.27 0.64 -0.00 -0.06 0.01 0.00 0.00 175.29 176.15 1ttt s PHE 342 N -0.68 3.06 -0.29 0.91 0.40 -0.51 -1.94 117.98 118.93 1ttt s PHE 342 Ca 0.12 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1ttt s PHE 342 Cb -0.12 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.36 1ttt s PHE 342 CO 0.02 -0.14 0.09 0.71 0.70 0.00 0.00 175.22 176.61 1ttt s TYR 343 N 0.76 3.14 -0.10 0.36 1.51 -0.87 -1.30 117.35 120.86 1ttt s TYR 343 Ca 0.00 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.27 1ttt s TYR 343 Cb -0.14 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1ttt s TYR 343 CO 0.02 -0.53 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.67 1ttt s PHE 344 N 1.54 2.25 0.00 2.71 0.40 0.80 -2.51 117.98 123.17 1ttt s PHE 344 Ca 0.03 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.42 1ttt s PHE 344 Cb -0.17 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1ttt s PHE 344 CO 0.03 -0.41 0.00 0.54 0.70 0.00 0.00 175.22 176.08 1ttt n ARG 345 N 3.71 0.00 0.00 0.44 1.74 -1.26 0.40 116.66 121.69 1ttt n ARG 345 Ca -0.20 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.01 1ttt n ARG 345 Cb 0.52 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 32.33 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 0.00 -3.24 0.55 -2.24 -1.26 -4.74 114.28 103.35 1ttt n THR 346 Ca 0.00 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1ttt n THR 346 Cb 0.00 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.40 4.76 -0.16 4.28 2.01 0.16 -4.01 115.64 120.28 1ttt s THR 347 Ca 0.26 0.85 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 1ttt s THR 347 Cb 0.19 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 69.11 1ttt s THR 347 CO 0.49 -0.04 0.34 1.51 -0.69 0.00 0.00 174.62 176.23 1ttt s ASP 348 N -2.13 0.01 -0.03 3.53 -4.77 -1.25 -0.14 116.67 111.89 1ttt s ASP 348 Ca 0.48 0.79 -0.05 0.00 -3.30 0.00 0.00 52.55 50.47 1ttt s ASP 348 Cb -0.12 0.99 0.01 0.00 -1.09 0.00 0.00 42.92 42.71 1ttt s ASP 348 CO 0.19 -0.23 0.12 -0.69 0.70 0.00 0.00 175.17 175.26 1ttt s VAL 349 N 2.42 0.02 0.37 2.11 1.01 -0.42 -4.92 120.40 120.99 1ttt s VAL 349 Ca -0.01 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1ttt s VAL 349 Cb -0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 1ttt s VAL 349 CO -0.11 -0.11 1.28 -0.89 0.00 0.00 0.00 175.10 175.27 1ttt s THR 350 N -0.34 2.76 0.04 3.92 2.01 -1.26 -1.42 115.64 121.35 1ttt s THR 350 Ca -0.04 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 1ttt s THR 350 Cb -0.03 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1ttt s THR 350 CO 0.00 0.14 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.22 1ttt s GLY 351 N -0.67 0.35 -0.15 4.40 0.00 -0.19 -0.49 107.32 110.57 1ttt s GLY 351 Ca 0.53 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1ttt s GLY 351 CO 0.49 -1.00 0.05 0.14 0.00 0.00 0.00 173.10 172.78 1ttt s VAL 352 N -2.81 4.70 0.24 1.40 1.01 -0.41 -2.59 120.40 121.95 1ttt s VAL 352 Ca -0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1ttt s VAL 352 Cb -0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.23 1ttt s VAL 352 CO -0.06 0.52 0.67 -0.69 0.00 0.00 0.00 175.10 175.54 1ttt s VAL 353 N -0.15 4.72 -0.35 2.92 1.01 0.16 -2.94 120.40 125.77 1ttt s VAL 353 Ca 0.07 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 1ttt s VAL 353 Cb -0.12 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.68 1ttt s VAL 353 CO 0.01 0.04 0.21 -0.13 0.00 0.00 0.00 175.10 175.23 1ttt s ARG 354 N -2.45 0.52 0.62 2.72 1.81 -0.91 -1.52 118.95 119.74 1ttt s ARG 354 Ca 0.46 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 53.03 1ttt s ARG 354 Cb -0.13 -1.27 -0.02 0.00 -0.45 0.00 0.00 34.95 33.08 1ttt s ARG 354 CO 0.19 -1.20 1.29 -0.51 -0.68 0.00 0.00 175.30 174.40 1ttt s LEU 355 N 1.16 3.63 0.58 2.53 1.43 -1.26 -2.95 118.68 123.79 1ttt s LEU 355 Ca 0.17 2.60 -0.16 0.00 -1.03 0.00 0.00 54.13 55.72 1ttt s LEU 355 Cb -0.22 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.38 1ttt s LEU 355 CO -0.02 -1.88 1.04 -2.16 0.23 0.00 0.00 176.35 173.57 1ttt s PRO 356 N -3.30 3.48 0.22 1.29 0.04 -1.26 -4.95 135.00 130.51 1ttt s PRO 356 Ca 0.80 1.11 -0.32 0.00 0.04 0.00 0.00 61.00 62.64 1ttt s PRO 356 Cb -0.37 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.99 1ttt s PRO 356 CO 0.40 -0.67 1.71 -1.14 0.04 0.00 0.00 177.00 177.33 1ttt s GLN 357 N -4.16 4.12 0.00 4.56 0.74 -1.26 -1.65 119.66 122.02 1ttt s GLN 357 Ca 0.62 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.63 1ttt s GLN 357 Cb -0.14 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1ttt s GLN 357 CO 0.37 -0.74 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 1ttt n GLY 358 N 3.78 1.09 3.39 2.59 0.00 -1.26 -5.04 105.19 109.73 1ttt n GLY 358 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 -0.83 -0.11 1.61 1.01 -0.66 -5.10 120.40 114.32 1ttt s VAL 359 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1ttt s VAL 359 Cb 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.23 1ttt s VAL 359 CO 0.00 0.00 0.06 -0.62 0.00 0.00 0.00 175.10 174.54 1ttt n GLU 360 N 5.35 1.97 -3.30 2.72 1.02 -1.26 -4.34 120.64 122.80 1ttt n GLU 360 Ca -0.07 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.01 1ttt n GLU 360 Cb 0.51 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 1ttt n GLU 360 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1ttt s MET 361 N -2.33 0.44 0.06 3.49 0.00 -1.26 -4.55 119.30 115.15 1ttt s MET 361 Ca -0.06 0.77 -0.30 0.00 0.00 0.00 0.00 55.69 56.10 1ttt s MET 361 Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 34.83 34.82 1ttt s MET 361 CO 0.48 -0.60 1.09 0.08 0.00 0.00 0.00 175.02 176.07 1ttt s VAL 362 N 2.68 4.33 0.17 10.11 1.01 -0.21 -4.77 120.40 133.72 1ttt s VAL 362 Ca 0.15 1.73 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1ttt s VAL 362 Cb -0.15 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1ttt s VAL 362 CO -0.18 0.17 0.08 -0.04 0.00 0.00 0.00 175.10 175.13 1ttt s MET 363 N 0.77 2.71 0.15 2.72 -1.94 -1.26 -0.98 119.30 121.46 1ttt s MET 363 Ca 0.54 -0.97 -0.33 0.00 -1.71 0.00 0.00 55.69 53.23 1ttt s MET 363 Cb -0.26 -2.53 -0.12 0.00 2.01 0.00 0.00 34.83 33.92 1ttt s MET 363 CO 0.30 0.47 1.70 -2.30 -0.01 0.00 0.00 175.02 175.18 1ttt n PRO 364 N -0.28 2.48 0.00 2.03 -0.02 -1.26 -0.55 135.00 137.40 1ttt n PRO 364 Ca -0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ttt n PRO 364 Cb 0.55 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 3.84 1.54 3.83 -1.23 0.00 0.02 -4.80 105.19 108.40 1ttt n GLY 365 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.62 4.48 -0.55 1.61 1.01 0.29 -4.74 116.67 117.15 1ttt s ASP 366 Ca 0.00 1.12 0.04 0.00 0.71 0.00 0.00 52.55 54.42 1ttt s ASP 366 Cb 0.00 -1.80 0.16 0.00 1.01 0.00 0.00 42.92 42.29 1ttt s ASP 366 CO 0.00 -1.96 0.38 0.20 0.21 0.00 0.00 175.17 174.00 1ttt s ASN 367 N -4.12 3.56 0.09 0.27 0.02 -1.26 -0.36 114.94 113.14 1ttt s ASN 367 Ca 0.61 -3.30 0.00 0.00 -1.02 0.00 0.00 52.86 49.15 1ttt s ASN 367 Cb -0.13 -1.15 0.00 0.00 0.02 0.00 0.00 41.25 39.98 1ttt s ASN 367 CO 0.53 -0.16 0.00 0.52 0.02 0.00 0.00 177.10 178.01 1ttt n VAL 368 N 2.65 0.00 -3.46 1.60 0.31 -0.90 -4.87 118.33 113.66 1ttt n VAL 368 Ca 0.19 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.53 1ttt n VAL 368 Cb 0.38 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.09 -0.47 0.00 2.52 2.01 -1.26 -2.86 115.64 115.49 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 4.84 -0.07 -5.09 4.92 1.16 -0.83 -4.48 117.46 117.90 1ttt n PHE 370 Ca -0.11 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.19 1ttt n PHE 370 Cb 0.53 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.24 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 -2.34 1.75 0.14 1.97 2.01 -1.15 -1.26 115.64 116.75 1ttt s THR 371 Ca 0.00 -0.94 0.11 0.00 0.31 0.00 0.00 61.69 61.17 1ttt s THR 371 Cb 0.00 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1ttt s THR 371 CO 0.00 0.49 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.47 1ttt s VAL 372 N -0.44 2.22 -0.21 3.82 1.01 0.13 -2.14 120.40 124.78 1ttt s VAL 372 Ca 0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 1ttt s VAL 372 Cb -0.09 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1ttt s VAL 372 CO -0.00 0.04 -0.02 -0.70 0.00 0.00 0.00 175.10 174.42 1ttt s GLU 373 N -2.14 1.24 0.27 2.72 2.12 -1.15 0.95 118.70 122.70 1ttt s GLU 373 Ca 0.14 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 1ttt s GLU 373 Cb -0.10 -2.37 -0.09 0.00 0.26 0.00 0.00 34.13 31.84 1ttt s GLU 373 CO 0.06 -0.60 0.78 -0.51 -0.54 0.00 0.00 175.26 174.45 1ttt s LEU 374 N 1.59 4.28 0.00 2.70 1.43 0.43 -1.29 118.68 127.82 1ttt s LEU 374 Ca -0.04 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.63 1ttt s LEU 374 Cb -0.18 -3.79 0.45 0.00 0.03 0.00 0.00 46.19 42.70 1ttt s LEU 374 CO -0.07 -0.04 1.09 2.30 0.23 0.00 0.00 176.35 179.85 1ttt n ILE 375 N 0.46 0.00 -3.61 -0.59 -5.35 0.36 -4.71 119.36 105.93 1ttt n ILE 375 Ca -0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1ttt n ILE 375 Cb 0.51 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 38.08 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 -2.00 0.55 0.54 6.28 1.02 -1.26 -5.05 119.74 119.82 1ttt s LYS 376 Ca 0.11 0.38 -0.20 0.00 0.02 0.00 0.00 55.97 56.28 1ttt s LYS 376 Cb 0.05 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.57 1ttt s LYS 376 CO 0.09 -0.12 1.15 -1.25 -0.92 0.00 0.00 175.35 174.30 1ttt s PRO 377 N -0.41 3.35 0.08 -1.68 0.05 -1.25 -4.79 135.00 130.34 1ttt s PRO 377 Ca 0.01 1.69 -0.14 0.00 0.05 0.00 0.00 61.00 62.61 1ttt s PRO 377 Cb -0.03 -2.06 0.02 0.00 0.05 0.00 0.00 34.50 32.48 1ttt s PRO 377 CO -0.02 -0.87 0.33 0.14 0.05 0.00 0.00 177.00 176.63 1ttt s VAL 378 N -1.69 0.08 0.00 -0.36 -7.23 0.24 -0.30 120.40 111.15 1ttt s VAL 378 Ca 0.72 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 1ttt s VAL 378 Cb -0.26 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 1ttt s VAL 378 CO 0.30 -0.39 1.23 0.00 -0.31 0.00 0.00 175.10 175.93 1ttt s ALA 379 N -3.18 3.46 0.25 1.32 0.00 -1.26 0.13 121.76 122.48 1ttt s ALA 379 Ca -0.01 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1ttt s ALA 379 Cb 0.01 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1ttt s ALA 379 CO -0.07 -0.65 0.03 -0.51 0.00 0.00 0.00 175.76 174.56 1ttt s LEU 380 N 1.76 2.06 -0.26 0.00 1.43 -1.26 -4.91 118.68 117.49 1ttt s LEU 380 Ca 0.58 -1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 1ttt s LEU 380 Cb -0.28 -0.21 0.09 0.00 0.03 0.00 0.00 46.19 45.82 1ttt s LEU 380 CO 0.26 -0.58 0.82 -1.83 0.23 0.00 0.00 176.35 175.25 1ttt s GLU 381 N -3.91 0.74 0.69 1.70 -1.05 -1.26 -4.98 118.70 110.63 1ttt s GLU 381 Ca 0.32 0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 55.78 1ttt s GLU 381 Cb 0.07 0.36 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1ttt s GLU 381 CO 0.11 -0.10 1.25 -1.21 0.95 0.00 0.00 175.26 176.25 1ttt s GLU 382 N 0.21 2.35 0.00 -4.83 2.02 -1.26 -1.23 118.70 115.96 1ttt s GLU 382 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1ttt s GLU 382 Cb -0.05 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1ttt s GLU 382 CO -0.01 -1.71 0.00 0.41 0.02 0.00 0.00 175.26 173.97 1ttt n GLY 383 N 0.66 1.47 3.74 -1.39 0.00 0.64 -4.92 105.19 105.38 1ttt n GLY 383 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 4.43 0.30 0.99 2.96 -0.36 -4.64 118.68 122.36 1ttt s LEU 384 Ca 0.00 2.36 0.06 0.00 -0.22 0.00 0.00 54.13 56.33 1ttt s LEU 384 Cb 0.00 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1ttt s LEU 384 CO 0.00 -0.47 0.43 -0.13 -1.32 0.00 0.00 176.35 174.86 1ttt s ARG 385 N -0.27 3.24 0.36 1.98 0.52 -1.26 0.82 118.95 124.34 1ttt s ARG 385 Ca 0.55 -0.91 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 1ttt s ARG 385 Cb -0.35 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.31 1ttt s ARG 385 CO 0.39 0.19 0.68 -0.59 0.02 0.00 0.00 175.30 175.99 1ttt s PHE 386 N -2.11 0.41 0.23 -0.53 -0.71 -0.06 -4.61 117.98 110.60 1ttt s PHE 386 Ca 0.41 -0.93 0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1ttt s PHE 386 Cb -0.09 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1ttt s PHE 386 CO 0.30 -1.40 -0.14 0.00 -1.34 0.00 0.00 175.22 172.64 1ttt s ALA 387 N -2.67 2.19 -0.05 1.99 0.00 -1.04 -1.65 121.76 120.53 1ttt s ALA 387 Ca 0.20 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.47 1ttt s ALA 387 Cb -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1ttt s ALA 387 CO 0.14 0.07 -0.19 0.42 0.00 0.00 0.00 175.76 176.21 1ttt s ILE 388 N -2.91 1.55 0.04 0.00 1.01 0.48 -2.05 121.20 119.32 1ttt s ILE 388 Ca 0.25 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1ttt s ILE 388 Cb -0.01 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1ttt s ILE 388 CO 0.09 0.44 0.18 -0.13 0.00 0.00 0.00 174.94 175.53 1ttt s ARG 389 N 0.03 0.68 -0.18 2.79 0.52 -0.82 0.20 118.95 122.16 1ttt s ARG 389 Ca -0.05 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 1ttt s ARG 389 Cb -0.12 0.28 0.13 0.00 0.52 0.00 0.00 34.95 35.75 1ttt s ARG 389 CO 0.03 -0.19 1.00 -2.00 0.02 0.00 0.00 175.30 174.15 1ttt s GLU 390 N -2.56 0.59 -1.54 3.54 -6.30 0.27 -1.51 118.70 111.18 1ttt s GLU 390 Ca -0.05 0.24 -0.13 0.00 -2.50 0.00 0.00 54.97 52.53 1ttt s GLU 390 Cb -0.01 0.28 0.09 0.00 0.00 0.00 0.00 34.13 34.48 1ttt s GLU 390 CO -0.04 -0.16 0.88 0.41 0.02 0.00 0.00 175.26 176.37 1ttt n GLY 391 N 1.03 -0.45 1.15 -1.50 0.00 -1.26 -1.80 105.19 102.36 1ttt n GLY 391 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.64 0.97 3.27 -0.02 0.00 -1.26 -5.02 105.19 101.48 1ttt n GLY 392 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.62 1.01 0.27 1.61 1.70 -0.75 -4.96 118.95 117.21 1ttt s ARG 393 Ca 0.00 -1.13 -0.23 0.00 -0.47 0.00 0.00 55.73 53.90 1ttt s ARG 393 Cb 0.00 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1ttt s ARG 393 CO 0.00 -0.34 0.83 0.99 -1.08 0.00 0.00 175.30 175.69 1ttt s THR 394 N -3.94 4.40 0.00 4.99 2.01 -1.26 0.94 115.64 122.78 1ttt s THR 394 Ca 0.13 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.67 1ttt s THR 394 Cb 0.04 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1ttt s THR 394 CO -0.04 0.17 0.00 1.33 -0.69 0.00 0.00 174.62 175.39 1ttt n VAL 395 N 0.64 0.00 -4.17 3.82 0.24 0.53 -4.20 118.33 115.17 1ttt n VAL 395 Ca -0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1ttt n VAL 395 Cb 0.51 -0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 32.36 1ttt n VAL 395 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ttt s GLY 396 N -1.92 1.64 -0.07 7.63 0.00 -0.17 -0.51 107.32 113.92 1ttt s GLY 396 Ca 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 1ttt s GLY 396 CO 0.00 -1.22 0.16 0.00 0.00 0.00 0.00 173.10 172.04 1ttt s ALA 397 N -3.60 -0.36 0.17 3.20 0.00 -0.50 -0.39 121.76 120.29 1ttt s ALA 397 Ca 0.35 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1ttt s ALA 397 Cb 0.03 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1ttt s ALA 397 CO 0.19 -0.13 0.36 0.41 0.00 0.00 0.00 175.76 176.60 1ttt n GLY 398 N 3.70 1.50 3.28 0.00 0.00 -0.66 -0.10 105.19 112.90 1ttt n GLY 398 Ca -0.20 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.58 -0.01 -0.10 1.61 0.11 -0.96 -0.88 120.40 117.59 1ttt s VAL 399 Ca 0.07 0.05 -0.32 0.00 -2.93 0.00 0.00 61.98 58.86 1ttt s VAL 399 Cb -0.02 -0.58 -0.09 0.00 -1.53 0.00 0.00 36.38 34.15 1ttt s VAL 399 CO 0.05 0.02 2.02 0.52 -3.33 0.00 0.00 175.10 174.39 1ttt n VAL 400 N 3.61 0.55 0.04 2.04 0.31 0.24 -2.48 118.33 122.65 1ttt n VAL 400 Ca -0.19 -0.21 0.05 0.00 -0.01 0.00 0.00 64.34 63.98 1ttt n VAL 400 Cb 0.56 -2.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.26 1ttt n VAL 400 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ttt n THR 401 N 6.08 0.83 -3.62 2.52 -1.04 0.12 0.23 114.28 119.41 1ttt n THR 401 Ca 0.25 -0.63 -0.06 0.00 -2.04 0.00 0.00 64.05 61.58 1ttt n THR 401 Cb 0.36 -0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 68.35 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 -3.13 0.29 -0.34 -2.82 2.20 -0.88 -4.82 119.74 110.22 1ttt s LYS 402 Ca -0.03 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.53 1ttt s LYS 402 Cb 0.10 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1ttt s LYS 402 CO 0.82 -0.09 0.22 0.42 -0.36 0.00 0.00 175.35 176.36 1ttt s ILE 403 N -1.05 5.08 -0.03 5.43 1.01 -1.26 -0.84 121.20 129.53 1ttt s ILE 403 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1ttt s ILE 403 Cb -0.01 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 1ttt s ILE 403 CO -0.04 -0.03 0.63 -0.07 0.00 0.00 0.00 174.94 175.43 1ttt h LEU 404 N 8.47 -0.44 0.00 2.97 -0.00 0.53 -3.48 115.31 123.36 1ttt h LEU 404 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1ttt h LEU 404 Cb 1.15 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1ttt h LEU 404 CO 0.64 -0.05 0.00 -0.62 -0.00 0.00 0.00 178.44 178.41