#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tui n PRO 10 N 0.00 0.48 -4.24 1.64 -0.05 -1.26 -4.18 135.00 127.39 1tui n PRO 10 Ca 0.00 0.18 -0.34 0.00 -0.05 0.00 0.00 63.50 63.29 1tui n PRO 10 Cb 0.00 -1.55 -0.11 0.00 -0.05 0.00 0.00 33.50 31.80 1tui n PRO 10 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1tui s HIS 11 N -1.67 3.14 0.05 0.54 2.46 -1.26 -1.52 115.29 117.04 1tui s HIS 11 Ca 0.65 -0.08 0.05 0.00 0.47 0.00 0.00 55.06 56.15 1tui s HIS 11 Cb -0.51 -1.98 -0.02 0.00 -0.13 0.00 0.00 32.58 29.94 1tui s HIS 11 CO 0.57 0.12 -0.14 0.08 -2.47 0.00 0.00 174.74 172.90 1tui s VAL 12 N 0.18 1.08 -0.22 0.89 1.01 0.43 -4.82 120.40 118.96 1tui s VAL 12 Ca 0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1tui s VAL 12 Cb -0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1tui s VAL 12 CO 0.02 -0.10 0.01 0.20 0.00 0.00 0.00 175.10 175.23 1tui s ASN 13 N -1.38 4.78 0.07 3.32 0.01 -1.26 -0.74 114.94 119.73 1tui s ASN 13 Ca -0.00 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1tui s ASN 13 Cb -0.09 -1.83 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1tui s ASN 13 CO 0.02 0.02 0.05 1.33 -1.51 0.00 0.00 177.10 177.01 1tui n VAL 14 N 4.54 0.00 0.00 1.60 0.24 -0.62 0.18 118.33 124.27 1tui n VAL 14 Ca -0.17 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1tui n VAL 14 Cb 0.51 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1tui n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tui n GLY 15 N 0.05 1.09 3.76 7.63 0.00 -1.24 -1.12 105.19 115.35 1tui n GLY 15 Ca 0.01 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1tui n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tui s THR 16 N -2.00 5.19 0.36 2.61 -4.23 -0.78 0.25 115.64 117.04 1tui s THR 16 Ca 0.00 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1tui s THR 16 Cb 0.00 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 1tui s THR 16 CO 0.00 0.42 0.06 0.27 -0.54 0.00 0.00 174.62 174.82 1tui s ILE 17 N 0.11 1.25 0.00 2.99 -4.36 -0.61 -4.67 121.20 115.91 1tui s ILE 17 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1tui s ILE 17 Cb -0.15 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1tui s ILE 17 CO 0.09 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1tui n GLY 18 N -0.80 2.35 3.57 6.27 0.00 -1.26 -1.57 105.19 113.74 1tui n GLY 18 Ca -0.04 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1tui n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1tui s HIS 19 N -1.66 1.45 0.34 1.61 2.46 -1.26 -4.70 115.29 113.53 1tui s HIS 19 Ca 0.00 1.47 -0.28 0.00 0.47 0.00 0.00 55.06 56.71 1tui s HIS 19 Cb 0.00 -3.20 -0.10 0.00 -0.13 0.00 0.00 32.58 29.15 1tui s HIS 19 CO 0.00 -3.42 1.24 0.08 -2.47 0.00 0.00 174.74 170.17 1tui s VAL 20 N -2.54 2.93 0.00 0.89 1.01 -1.26 -2.93 120.40 118.51 1tui s VAL 20 Ca 0.68 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1tui s VAL 20 Cb -0.24 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1tui s VAL 20 CO 0.62 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 175.24 1tui n ASP 21 N 0.71 0.00 0.29 3.32 2.03 -1.26 -4.86 116.55 116.78 1tui n ASP 21 Ca 0.01 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.48 1tui n ASP 21 Cb 0.43 -0.18 0.90 0.00 -0.72 0.00 0.00 41.12 41.56 1tui n ASP 21 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1tui h HIS 22 N 0.00 0.00 0.00 -0.67 3.86 -1.87 -3.46 115.15 113.01 1tui h HIS 22 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1tui h HIS 22 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1tui h HIS 22 CO 0.00 0.05 0.00 0.41 0.86 0.00 0.00 177.93 179.25 1tui n GLY 23 N -0.89 1.01 0.21 2.45 0.00 -1.26 -4.53 105.19 102.17 1tui n GLY 23 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1tui n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tui h LYS 24 N 0.00 0.00 0.06 1.61 1.57 -1.89 -2.47 116.57 115.45 1tui h LYS 24 Ca 0.00 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1tui h LYS 24 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1tui h LYS 24 CO 0.00 0.27 -0.46 1.15 -0.57 0.00 0.00 179.45 179.84 1tui h THR 25 N 0.00 1.59 -0.32 -0.16 2.02 -1.95 -2.54 112.91 111.55 1tui h THR 25 Ca -0.00 -2.41 0.06 0.00 0.77 0.00 0.00 66.41 64.83 1tui h THR 25 Cb 0.48 3.21 -0.06 0.00 -1.74 0.00 0.00 68.15 70.04 1tui h THR 25 CO 0.04 0.63 -0.05 0.74 0.37 0.00 0.00 175.52 177.25 1tui h THR 26 N -0.74 0.71 0.00 3.16 2.02 -1.93 0.18 112.91 116.31 1tui h THR 26 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1tui h THR 26 Cb 1.29 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1tui h THR 26 CO 0.04 0.01 -0.02 0.25 0.37 0.00 0.00 175.52 176.16 1tui h LEU 27 N 0.04 0.00 -0.61 2.58 5.85 -1.54 -1.33 115.31 120.30 1tui h LEU 27 Ca 0.15 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 1tui h LEU 27 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1tui h LEU 27 CO -0.30 0.02 -0.34 0.74 -0.34 0.00 0.00 178.44 178.23 1tui h THR 28 N 0.00 1.28 0.00 1.05 2.02 -0.22 -2.63 112.91 114.42 1tui h THR 28 Ca -0.00 -1.49 -0.08 0.00 0.77 0.00 0.00 66.41 65.61 1tui h THR 28 Cb 0.06 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1tui h THR 28 CO 0.00 0.48 -0.40 0.00 0.37 0.00 0.00 175.52 175.98 1tui h ALA 29 N 1.01 0.86 -0.10 6.16 0.00 -0.43 -3.16 119.26 123.60 1tui h ALA 29 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1tui h ALA 29 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tui h ALA 29 CO 0.08 0.50 -0.40 0.00 0.00 0.00 0.00 179.25 179.42 1tui h ALA 30 N 1.60 0.18 -0.95 0.00 0.00 -1.30 -2.54 119.26 116.26 1tui h ALA 30 Ca -0.00 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 54.60 1tui h ALA 30 Cb 1.08 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1tui h ALA 30 CO 0.05 0.29 0.55 -0.07 0.00 0.00 0.00 179.25 180.07 1tui h LEU 31 N 0.01 0.71 0.60 0.00 3.38 -1.44 0.62 115.31 119.19 1tui h LEU 31 Ca -0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1tui h LEU 31 Cb 1.04 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1tui h LEU 31 CO 0.08 0.29 -0.29 0.71 0.09 0.00 0.00 178.44 179.32 1tui h THR 32 N 0.75 0.00 -0.21 0.22 1.35 -1.50 0.23 112.91 113.75 1tui h THR 32 Ca 0.52 -0.15 0.06 0.00 -0.55 0.00 0.00 66.41 66.29 1tui h THR 32 Cb 0.74 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1tui h THR 32 CO -0.36 0.00 0.16 1.88 -0.25 0.00 0.00 175.52 176.95 1tui h TYR 33 N -0.96 0.00 0.03 4.73 -1.99 -0.98 -0.64 116.97 117.15 1tui h TYR 33 Ca -0.08 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.60 1tui h TYR 33 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1tui h TYR 33 CO 0.05 0.00 -0.19 0.28 -0.00 0.00 0.00 178.16 178.30 1tui h VAL 34 N 0.00 1.69 0.00 -2.88 2.07 0.73 -3.17 116.25 114.70 1tui h VAL 34 Ca 0.10 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1tui h VAL 34 Cb 0.41 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1tui h VAL 34 CO -0.00 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1tui h ALA 35 N 0.07 1.00 -0.21 1.67 0.00 -0.67 -2.97 119.26 118.14 1tui h ALA 35 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1tui h ALA 35 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1tui h ALA 35 CO 0.04 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.40 1tui h ALA 36 N 2.08 0.26 -0.93 0.00 0.00 -1.09 -1.66 119.26 117.92 1tui h ALA 36 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1tui h ALA 36 Cb 0.38 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 17.94 1tui h ALA 36 CO 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 179.25 178.76 1tui h ALA 37 N 1.10 0.68 -0.01 0.00 0.00 -1.60 2.78 119.26 122.22 1tui h ALA 37 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1tui h ALA 37 Cb 0.01 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tui h ALA 37 CO -0.05 -0.41 -0.19 0.39 0.00 0.00 0.00 179.25 178.99 1tui n GLU 38 N -5.57 0.78 -2.59 0.00 1.02 -1.14 -4.38 120.64 108.76 1tui n GLU 38 Ca 0.15 -0.39 -0.09 0.00 -0.02 0.00 0.00 57.16 56.81 1tui n GLU 38 Cb 0.50 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1tui n GLU 38 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1tui n ASN 39 N -0.77 2.57 0.00 1.62 3.02 0.91 -5.00 115.26 117.60 1tui n ASN 39 Ca 0.13 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1tui n ASN 39 Cb 0.32 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1tui n ASN 39 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tui n PRO 40 N -0.52 0.00 0.00 3.52 -0.04 0.42 -1.08 135.00 137.30 1tui n PRO 40 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1tui n PRO 40 Cb 0.83 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.29 1tui n PRO 40 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1tui n ASN 41 N -0.32 0.00 0.00 3.54 3.02 -1.26 -4.84 115.26 115.40 1tui n ASN 41 Ca 0.00 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 1tui n ASN 41 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1tui n ASN 41 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1tui n VAL 42 N -1.96 0.00 -3.18 2.41 0.31 -0.24 -4.87 118.33 110.80 1tui n VAL 42 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1tui n VAL 42 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1tui n VAL 42 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1tui s GLU 43 N 0.00 3.71 0.22 5.55 2.02 -1.26 -4.89 118.70 124.05 1tui s GLU 43 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 1tui s GLU 43 Cb 0.00 -3.79 -0.09 0.00 0.10 0.00 0.00 34.13 30.36 1tui s GLU 43 CO 0.00 -0.65 1.25 0.08 0.02 0.00 0.00 175.26 175.96 1tui s VAL 44 N 2.54 3.29 0.12 2.63 1.01 -1.26 -4.84 120.40 123.88 1tui s VAL 44 Ca 0.22 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1tui s VAL 44 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1tui s VAL 44 CO 0.13 0.20 -0.16 -0.54 0.00 0.00 0.00 175.10 174.73 1tui s LYS 45 N -0.54 1.06 0.48 2.72 -0.14 -1.26 -4.99 119.74 117.06 1tui s LYS 45 Ca 0.53 -1.22 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 1tui s LYS 45 Cb -0.35 -1.05 0.02 0.00 -1.68 0.00 0.00 37.83 34.77 1tui s LYS 45 CO 0.40 0.22 0.50 -0.51 -0.76 0.00 0.00 175.35 175.19 1tui s ASP 46 N -2.30 5.05 0.06 2.83 1.01 -1.26 -4.65 116.67 117.40 1tui s ASP 46 Ca 0.08 -0.83 -0.13 0.00 0.71 0.00 0.00 52.55 52.38 1tui s ASP 46 Cb -0.07 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1tui s ASP 46 CO 0.04 -0.91 1.22 0.22 0.21 0.00 0.00 175.17 175.94 1tui h TYR 47 N 0.73 -0.70 -0.76 4.23 3.20 -1.93 -2.03 116.97 119.72 1tui h TYR 47 Ca -0.38 0.04 0.17 0.00 3.14 0.00 0.00 58.73 61.71 1tui h TYR 47 Cb 1.28 0.34 -0.13 0.00 1.54 0.00 0.00 36.73 39.76 1tui h TYR 47 CO 0.59 -0.18 0.08 0.78 -1.64 0.00 0.00 178.16 177.79 1tui h GLY 48 N -0.11 0.94 0.92 1.82 0.00 -1.97 2.39 103.07 107.06 1tui h GLY 48 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1tui h GLY 48 CO -0.28 -0.27 -0.20 -0.55 0.00 0.00 0.00 176.54 175.24 1tui h ASP 49 N 0.16 -0.48 0.06 0.19 3.32 -1.86 -1.12 116.42 116.70 1tui h ASP 49 Ca 0.43 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1tui h ASP 49 Cb 0.76 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1tui h ASP 49 CO -0.61 -0.27 -0.17 0.40 -1.72 0.00 0.00 179.24 176.87 1tui h ILE 50 N -0.65 1.19 0.00 0.35 2.04 -0.61 -2.10 117.51 117.72 1tui h ILE 50 Ca -0.06 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1tui h ILE 50 Cb 0.48 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1tui h ILE 50 CO 0.09 0.26 -0.07 -0.78 0.00 0.00 0.00 178.15 177.66 1tui h ASP 51 N 0.20 0.00 -3.25 1.72 3.58 0.49 -3.29 116.42 115.87 1tui h ASP 51 Ca 0.04 0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.76 1tui h ASP 51 Cb 0.42 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.13 1tui h ASP 51 CO 0.03 0.07 0.10 0.29 -2.88 0.00 0.00 179.24 176.84 1tui n LYS 52 N -3.65 3.04 -2.08 0.28 5.02 -0.50 -4.93 118.16 115.34 1tui n LYS 52 Ca -0.02 -4.50 -0.36 0.00 -2.02 0.00 0.00 58.31 51.41 1tui n LYS 52 Cb 0.18 -2.44 0.02 0.00 -0.02 0.00 0.00 35.03 32.76 1tui n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tui s ALA 53 N -1.60 2.66 0.76 7.82 0.00 -1.24 -4.96 121.76 125.20 1tui s ALA 53 Ca 0.30 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 1tui s ALA 53 Cb -0.05 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.73 1tui s ALA 53 CO -0.08 -1.02 1.09 -2.14 0.00 0.00 0.00 175.76 173.60 1tui s PRO 54 N -3.19 1.85 0.70 0.00 0.02 -1.21 -4.69 135.00 128.48 1tui s PRO 54 Ca 0.74 -0.32 -0.09 0.00 0.02 0.00 0.00 61.00 61.35 1tui s PRO 54 Cb -0.30 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1tui s PRO 54 CO 0.33 -1.51 1.04 -1.21 -0.33 0.00 0.00 177.00 175.33 1tui s GLU 55 N -5.39 2.43 -0.13 5.54 2.02 -1.26 -0.51 118.70 121.39 1tui s GLU 55 Ca 0.63 0.02 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 1tui s GLU 55 Cb -0.09 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1tui s GLU 55 CO 0.47 -1.17 0.36 -1.21 0.02 0.00 0.00 175.26 173.73 1tui s GLU 56 N -5.29 0.43 -0.27 1.61 2.02 -0.72 -4.77 118.70 111.71 1tui s GLU 56 Ca 0.59 0.46 -0.09 0.00 0.02 0.00 0.00 54.97 55.96 1tui s GLU 56 Cb -0.11 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 1tui s GLU 56 CO 0.47 -0.06 0.11 1.03 0.02 0.00 0.00 175.26 176.84 1tui s ARG 57 N 0.11 3.58 -0.20 1.61 0.52 -1.26 -0.15 118.95 123.17 1tui s ARG 57 Ca -0.01 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1tui s ARG 57 Cb -0.03 -3.45 0.07 0.00 0.52 0.00 0.00 34.95 32.06 1tui s ARG 57 CO 0.01 -0.26 0.06 0.00 0.02 0.00 0.00 175.30 175.12 1tui s ALA 58 N 1.63 0.89 -1.15 2.13 0.00 0.94 -4.76 121.76 121.44 1tui s ALA 58 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1tui s ALA 58 Cb -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1tui s ALA 58 CO 0.05 -1.24 0.00 -2.13 0.00 0.00 0.00 175.76 172.45 1tui n ARG 59 N 5.10 -0.79 0.00 0.00 0.63 -1.26 -2.20 116.66 118.15 1tui n ARG 59 Ca -0.08 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1tui n ARG 59 Cb 0.47 -4.83 0.00 0.00 0.45 0.00 0.00 32.46 28.54 1tui n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 60 N -1.54 1.46 3.88 5.14 0.00 -1.26 -4.97 105.19 107.90 1tui n GLY 60 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1tui n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tui s ILE 61 N -2.33 5.10 -0.19 -0.61 1.01 -0.93 -5.05 121.20 118.20 1tui s ILE 61 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 1tui s ILE 61 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1tui s ILE 61 CO 0.00 0.20 0.09 -0.89 0.00 0.00 0.00 174.94 174.34 1tui s THR 62 N -1.50 5.04 -0.16 2.92 2.01 -1.26 -0.04 115.64 122.66 1tui s THR 62 Ca 0.36 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1tui s THR 62 Cb -0.13 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.13 1tui s THR 62 CO 0.20 0.45 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.92 1tui s ILE 63 N 0.41 0.90 -0.03 1.82 1.01 0.79 -4.86 121.20 121.24 1tui s ILE 63 Ca 0.05 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1tui s ILE 63 Cb -0.12 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 1tui s ILE 63 CO -0.00 0.05 1.90 0.20 0.00 0.00 0.00 174.94 177.09 1tui s ASN 64 N 1.72 6.39 -0.02 3.58 0.01 -1.25 -1.76 114.94 123.60 1tui s ASN 64 Ca 0.01 2.41 -0.01 0.00 -0.71 0.00 0.00 52.86 54.56 1tui s ASN 64 Cb -0.15 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 38.99 1tui s ASN 64 CO -0.07 -1.14 0.05 -0.89 -1.51 0.00 0.00 177.10 173.54 1tui s THR 65 N 4.83 -0.03 -0.05 1.60 2.01 0.33 -4.35 115.64 119.98 1tui s THR 65 Ca 0.85 0.09 0.06 0.00 0.31 0.00 0.00 61.69 63.00 1tui s THR 65 Cb -0.38 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1tui s THR 65 CO 0.37 0.04 -0.22 0.00 -0.69 0.00 0.00 174.62 174.12 1tui s ALA 66 N 0.50 2.30 0.22 7.40 0.00 0.40 -3.34 121.76 129.24 1tui s ALA 66 Ca -0.04 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1tui s ALA 66 Cb -0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1tui s ALA 66 CO -0.02 0.46 -0.15 -1.01 0.00 0.00 0.00 175.76 175.04 1tui s HIS 67 N -0.35 2.46 -0.16 0.00 3.76 -1.26 -0.71 115.29 119.02 1tui s HIS 67 Ca 0.02 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.36 1tui s HIS 67 Cb -0.12 -1.16 0.09 0.00 1.11 0.00 0.00 32.58 32.50 1tui s HIS 67 CO 0.02 0.57 0.83 0.08 -0.85 0.00 0.00 174.74 175.39 1tui s VAL 68 N -1.95 0.00 -0.04 -0.90 1.01 -0.53 -4.97 120.40 113.02 1tui s VAL 68 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1tui s VAL 68 Cb -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1tui s VAL 68 CO 0.14 0.00 -0.18 -1.61 0.00 0.00 0.00 175.10 173.45 1tui s GLU 69 N -0.60 1.80 0.15 2.72 0.41 -1.26 0.19 118.70 122.11 1tui s GLU 69 Ca -0.04 -0.65 -0.06 0.00 -0.41 0.00 0.00 54.97 53.81 1tui s GLU 69 Cb -0.02 -1.59 -0.02 0.00 -1.78 0.00 0.00 34.13 30.72 1tui s GLU 69 CO 0.03 0.29 0.20 1.52 -0.49 0.00 0.00 175.26 176.82 1tui s TYR 70 N -0.09 0.54 -0.01 1.61 -0.85 -0.44 -4.40 117.35 113.71 1tui s TYR 70 Ca -0.01 -0.91 0.04 0.00 -0.52 0.00 0.00 57.07 55.66 1tui s TYR 70 Cb -0.11 -0.20 -0.01 0.00 0.38 0.00 0.00 41.96 42.02 1tui s TYR 70 CO 0.02 -0.64 -0.13 -2.00 -1.52 0.00 0.00 175.55 171.28 1tui s GLU 71 N -3.99 1.05 0.39 -3.49 2.12 -1.26 -1.69 118.70 111.83 1tui s GLU 71 Ca 0.19 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.07 1tui s GLU 71 Cb 0.05 -1.01 0.01 0.00 0.26 0.00 0.00 34.13 33.44 1tui s GLU 71 CO -0.00 0.27 0.12 0.25 -0.54 0.00 0.00 175.26 175.36 1tui n THR 72 N 2.78 0.00 0.20 -1.70 -2.24 0.78 -4.81 114.28 109.29 1tui n THR 72 Ca -0.14 -1.73 -0.15 0.00 -2.27 0.00 0.00 64.05 59.76 1tui n THR 72 Cb 0.55 0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 1tui n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tui h ALA 73 N 1.00 -0.47 -0.72 6.98 0.00 -1.98 -3.03 119.26 121.03 1tui h ALA 73 Ca -0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1tui h ALA 73 Cb 0.95 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1tui h ALA 73 CO 0.48 -0.78 0.20 -0.22 0.00 0.00 0.00 179.25 178.93 1tui h LYS 74 N -0.48 1.14 0.00 0.00 3.64 -1.99 -3.48 116.57 115.39 1tui h LYS 74 Ca -0.03 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1tui h LYS 74 Cb 0.40 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1tui h LYS 74 CO 0.04 0.98 -0.05 0.54 -2.27 0.00 0.00 179.45 178.69 1tui n ARG 75 N -4.24 0.26 -4.10 1.90 1.74 -1.15 -4.21 116.66 106.87 1tui n ARG 75 Ca 0.06 -1.04 -0.33 0.00 -0.77 0.00 0.00 57.85 55.77 1tui n ARG 75 Cb 0.25 1.01 -0.16 0.00 -1.02 0.00 0.00 32.46 32.54 1tui n ARG 75 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tui s HIS 76 N -4.24 2.97 -0.12 -1.55 3.76 -0.57 -0.16 115.29 115.38 1tui s HIS 76 Ca 0.11 -1.93 0.01 0.00 -0.15 0.00 0.00 55.06 53.10 1tui s HIS 76 Cb -0.00 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1tui s HIS 76 CO 0.08 -0.84 -0.16 0.71 -0.85 0.00 0.00 174.74 173.68 1tui s TYR 77 N 1.21 2.73 -0.14 1.40 2.02 -0.68 0.16 117.35 124.06 1tui s TYR 77 Ca -0.01 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 1tui s TYR 77 Cb -0.16 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1tui s TYR 77 CO -0.09 -0.26 -0.00 -1.54 -1.57 0.00 0.00 175.55 172.08 1tui s SER 78 N 0.31 5.12 -0.08 2.29 1.04 0.08 -1.32 113.70 121.13 1tui s SER 78 Ca -0.13 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.31 1tui s SER 78 Cb -0.16 -1.71 0.02 0.00 0.10 0.00 0.00 66.02 64.27 1tui s SER 78 CO 0.07 0.24 -0.06 -2.28 0.98 0.00 0.00 173.24 172.19 1tui s HIS 79 N -0.05 1.14 0.30 5.02 2.46 0.51 -1.59 115.29 123.09 1tui s HIS 79 Ca 0.03 -0.47 -0.02 0.00 0.47 0.00 0.00 55.06 55.07 1tui s HIS 79 Cb -0.13 -1.01 -0.04 0.00 -0.13 0.00 0.00 32.58 31.28 1tui s HIS 79 CO 0.02 -0.38 0.53 0.08 -2.47 0.00 0.00 174.74 172.52 1tui s VAL 80 N 1.52 5.08 -0.28 0.89 1.01 -0.28 -1.45 120.40 126.89 1tui s VAL 80 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1tui s VAL 80 Cb -0.13 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1tui s VAL 80 CO -0.05 -0.41 0.66 -0.62 0.00 0.00 0.00 175.10 174.69 1tui s ASP 81 N -3.54 -1.01 0.22 3.32 2.15 0.11 -1.86 116.67 116.06 1tui s ASP 81 Ca 0.41 1.52 0.10 0.00 0.43 0.00 0.00 52.55 55.01 1tui s ASP 81 Cb -0.10 1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 44.25 1tui s ASP 81 CO 0.33 -0.23 -0.10 0.00 -0.17 0.00 0.00 175.17 175.00 1tui h PRO 83 N 2.55 0.57 -6.14 0.00 0.11 -1.92 -3.48 132.00 123.69 1tui h PRO 83 Ca -0.45 -0.77 -0.56 0.00 0.11 0.00 0.00 66.00 64.33 1tui h PRO 83 Cb 1.23 0.25 -0.18 0.00 0.11 0.00 0.00 31.00 32.41 1tui h PRO 83 CO 0.56 1.34 -0.80 0.20 -0.21 0.00 0.00 178.00 179.10 1tui s GLY 84 N -4.46 1.47 0.41 -0.55 0.00 -1.26 -5.01 107.32 97.91 1tui s GLY 84 Ca -0.08 -1.51 0.09 0.00 0.00 0.00 0.00 44.72 43.21 1tui s GLY 84 CO 0.92 -1.56 2.00 0.84 0.00 0.00 0.00 173.10 175.31 1tui h HIS 85 N 3.29 0.56 -0.33 1.90 2.76 -1.95 0.36 115.15 121.73 1tui h HIS 85 Ca -0.44 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1tui h HIS 85 Cb 1.21 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 1tui h HIS 85 CO 0.68 0.30 0.16 0.00 -1.30 0.00 0.00 177.93 177.78 1tui h ALA 86 N 1.69 0.43 -0.77 5.26 0.00 -2.00 -1.93 119.26 121.94 1tui h ALA 86 Ca 0.24 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1tui h ALA 86 Cb 0.25 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1tui h ALA 86 CO -0.07 -0.02 0.27 -0.44 0.00 0.00 0.00 179.25 178.99 1tui h ASP 87 N 0.40 0.19 -0.46 0.00 3.32 -0.68 0.30 116.42 119.50 1tui h ASP 87 Ca 0.11 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1tui h ASP 87 Cb 0.11 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1tui h ASP 87 CO -0.02 0.04 0.25 1.88 -1.72 0.00 0.00 179.24 179.68 1tui h TYR 88 N 0.37 0.62 -0.07 4.55 -1.99 -0.57 0.17 116.97 120.07 1tui h TYR 88 Ca 0.44 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.15 1tui h TYR 88 Cb 0.72 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.24 1tui h TYR 88 CO -0.20 0.47 0.04 0.82 -0.00 0.00 0.00 178.16 179.29 1tui h ILE 89 N 0.60 1.02 0.82 -2.88 1.08 -0.49 -0.93 117.51 116.73 1tui h ILE 89 Ca 0.16 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1tui h ILE 89 Cb 0.05 0.92 0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1tui h ILE 89 CO -0.03 0.02 -0.40 0.11 -0.69 0.00 0.00 178.15 177.16 1tui h LYS 90 N 0.09 -1.07 -0.52 2.37 1.57 -0.69 -2.68 116.57 115.64 1tui h LYS 90 Ca 0.02 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1tui h LYS 90 Cb -0.01 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 1tui h LYS 90 CO -0.01 -0.71 -0.48 -0.97 -0.57 0.00 0.00 179.45 176.71 1tui h ASN 91 N -1.12 -1.67 -0.37 0.86 -0.73 -0.69 0.73 115.58 112.60 1tui h ASN 91 Ca -0.11 0.23 0.11 0.00 1.87 0.00 0.00 56.30 58.40 1tui h ASN 91 Cb 0.85 0.70 -0.01 0.00 0.27 0.00 0.00 38.32 40.13 1tui h ASN 91 CO 0.19 -0.29 0.30 0.24 -0.37 0.00 0.00 177.43 177.50 1tui h MET 92 N -0.22 0.00 0.03 6.67 2.86 -1.19 0.52 114.93 123.61 1tui h MET 92 Ca 0.09 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 1tui h MET 92 Cb 0.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1tui h MET 92 CO -0.61 0.00 -1.19 0.82 1.06 0.00 0.00 176.91 176.99 1tui h ILE 93 N 0.00 1.03 0.00 -1.22 2.04 -0.75 -3.23 117.51 115.38 1tui h ILE 93 Ca 0.18 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1tui h ILE 93 Cb 0.78 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1tui h ILE 93 CO -0.00 0.48 0.00 0.35 0.00 0.00 0.00 178.15 178.98 1tui n THR 94 N -4.27 0.28 -3.66 -0.27 -2.24 0.09 -4.52 114.28 99.70 1tui n THR 94 Ca -0.28 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1tui n THR 94 Cb 0.73 -0.65 0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1tui n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tui n GLY 95 N 0.94 -0.41 0.25 3.38 0.00 0.18 -4.85 105.19 104.68 1tui n GLY 95 Ca 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1tui n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tui h ALA 96 N 0.80 -0.17 -3.25 4.61 0.00 -1.81 -3.38 119.26 116.07 1tui h ALA 96 Ca -0.61 0.05 -0.62 0.00 0.00 0.00 0.00 54.91 53.72 1tui h ALA 96 Cb 1.35 0.43 -0.34 0.00 0.00 0.00 0.00 17.79 19.23 1tui h ALA 96 CO 0.55 -0.67 -0.85 0.00 0.00 0.00 0.00 179.25 178.28 1tui s ALA 97 N -6.10 1.90 -0.33 0.00 0.00 -1.26 -5.13 121.76 110.85 1tui s ALA 97 Ca -0.15 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1tui s ALA 97 Cb 0.11 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1tui s ALA 97 CO 0.67 -0.05 0.45 -0.65 0.00 0.00 0.00 175.76 176.19 1tui s GLN 98 N 0.90 3.68 0.15 0.00 -0.21 -1.26 -4.85 119.66 118.07 1tui s GLN 98 Ca -0.07 -0.19 -0.31 0.00 0.02 0.00 0.00 55.36 54.81 1tui s GLN 98 Cb -0.15 -3.78 -0.08 0.00 1.00 0.00 0.00 33.01 30.00 1tui s GLN 98 CO -0.01 -0.55 1.34 -1.64 -2.12 0.00 0.00 175.29 172.31 1tui s MET 99 N 2.23 4.36 0.05 2.91 -1.94 -1.26 -4.74 119.30 120.91 1tui s MET 99 Ca 0.16 2.04 0.17 0.00 -1.71 0.00 0.00 55.69 56.35 1tui s MET 99 Cb -0.16 -3.23 -0.14 0.00 2.01 0.00 0.00 34.83 33.30 1tui s MET 99 CO 0.12 -0.34 0.78 -0.25 -0.01 0.00 0.00 175.02 175.32 1tui n ASP 100 N 3.37 0.79 -3.51 3.03 8.00 0.47 -4.63 116.55 124.06 1tui n ASP 100 Ca 0.09 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 1tui n ASP 100 Cb 0.43 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1tui n ASP 100 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1tui s GLY 101 N -4.80 -0.50 0.07 0.44 0.00 -1.11 -3.97 107.32 97.44 1tui s GLY 101 Ca -0.03 0.50 0.03 0.00 0.00 0.00 0.00 44.72 45.22 1tui s GLY 101 CO 0.82 0.16 -0.10 0.00 0.00 0.00 0.00 173.10 173.98 1tui s ALA 102 N -3.59 0.92 -0.38 3.20 0.00 -0.18 -3.64 121.76 118.08 1tui s ALA 102 Ca 0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1tui s ALA 102 Cb -0.02 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1tui s ALA 102 CO -0.09 0.03 0.21 0.42 0.00 0.00 0.00 175.76 176.33 1tui s ILE 103 N -1.69 4.42 -0.39 0.00 1.01 0.14 -2.19 121.20 122.49 1tui s ILE 103 Ca -0.03 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 1tui s ILE 103 Cb -0.08 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1tui s ILE 103 CO 0.01 -0.31 0.95 -0.22 0.00 0.00 0.00 174.94 175.37 1tui s LEU 104 N 1.51 3.96 -0.18 2.97 2.96 0.26 -1.57 118.68 128.59 1tui s LEU 104 Ca 0.02 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1tui s LEU 104 Cb -0.20 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 1tui s LEU 104 CO 0.05 -0.92 0.19 -0.69 -1.32 0.00 0.00 176.35 173.65 1tui s VAL 105 N 3.61 5.38 -0.03 1.68 1.01 -0.61 -1.23 120.40 130.22 1tui s VAL 105 Ca 0.39 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1tui s VAL 105 Cb -0.11 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1tui s VAL 105 CO 0.21 0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 174.93 1tui s VAL 106 N 0.24 1.11 -0.00 2.92 1.01 -0.99 -4.18 120.40 120.50 1tui s VAL 106 Ca 0.12 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1tui s VAL 106 Cb -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1tui s VAL 106 CO 0.01 0.33 1.40 -0.55 0.00 0.00 0.00 175.10 176.28 1tui s SER 107 N 0.10 6.86 0.46 3.32 0.15 -1.26 -1.90 113.70 121.42 1tui s SER 107 Ca -0.03 2.10 0.21 0.00 0.70 0.00 0.00 55.95 58.93 1tui s SER 107 Cb -0.10 -2.56 1.13 0.00 -1.71 0.00 0.00 66.02 62.78 1tui s SER 107 CO 0.01 -0.72 1.97 0.00 1.20 0.00 0.00 173.24 175.70 1tui h ALA 108 N 7.85 1.34 -0.02 5.45 0.00 -1.67 1.21 119.26 133.42 1tui h ALA 108 Ca -0.38 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 1tui h ALA 108 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1tui h ALA 108 CO 0.90 0.26 -0.82 0.00 0.00 0.00 0.00 179.25 179.59 1tui h ALA 109 N 1.79 0.56 0.00 0.00 0.00 -1.85 -3.37 119.26 116.40 1tui h ALA 109 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1tui h ALA 109 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1tui h ALA 109 CO 0.03 0.85 -1.01 -0.25 0.00 0.00 0.00 179.25 178.87 1tui n ASP 110 N -3.73 2.17 -0.17 0.00 8.00 -0.23 -5.12 116.55 117.48 1tui n ASP 110 Ca -0.04 -0.24 0.02 0.00 0.71 0.00 0.00 54.79 55.24 1tui n ASP 110 Cb 0.77 1.24 -0.00 0.00 -0.02 0.00 0.00 41.12 43.10 1tui n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tui n GLY 111 N 1.74 -2.12 3.72 0.44 0.00 0.40 -4.84 105.19 104.53 1tui n GLY 111 Ca -0.00 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1tui n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tui s PRO 112 N -0.73 2.12 0.18 1.61 0.04 -1.26 -4.31 135.00 132.65 1tui s PRO 112 Ca 0.00 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1tui s PRO 112 Cb 0.00 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1tui s PRO 112 CO 0.00 -1.84 0.13 -1.33 0.04 0.00 0.00 177.00 174.00 1tui n MET 113 N -2.78 0.34 -0.03 4.56 2.81 -1.26 -4.99 117.12 115.77 1tui n MET 113 Ca 0.13 -1.73 -0.10 0.00 -1.81 0.00 0.00 57.70 54.19 1tui n MET 113 Cb 0.50 1.30 -0.04 0.00 -0.71 0.00 0.00 33.22 34.27 1tui n MET 113 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1tui h PRO 114 N 0.00 0.22 -0.17 0.03 0.11 -1.99 0.20 132.00 130.40 1tui h PRO 114 Ca -0.13 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 1tui h PRO 114 Cb 0.62 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1tui h PRO 114 CO 0.20 0.16 -0.15 1.96 -0.21 0.00 0.00 178.00 179.95 1tui h GLN 115 N 0.21 0.27 -0.22 1.05 4.20 -1.97 0.12 115.11 118.78 1tui h GLN 115 Ca 0.06 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.76 1tui h GLN 115 Cb -0.01 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 1tui h GLN 115 CO -0.01 0.43 -0.26 1.15 -0.67 0.00 0.00 178.83 179.47 1tui h THR 116 N 0.26 0.37 -0.36 -0.54 2.02 -1.38 0.28 112.91 113.56 1tui h THR 116 Ca 0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1tui h THR 116 Cb 0.43 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1tui h THR 116 CO 0.03 0.00 -0.12 -0.09 0.37 0.00 0.00 175.52 175.70 1tui h ARG 117 N -0.28 0.64 0.29 6.66 2.43 -0.14 -2.74 114.38 121.24 1tui h ARG 117 Ca 0.13 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1tui h ARG 117 Cb 0.47 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1tui h ARG 117 CO -0.38 0.74 -0.14 0.93 -1.51 0.00 0.00 179.97 179.61 1tui h GLU 118 N 0.58 -0.38 -1.00 0.20 5.08 0.21 -2.39 114.58 116.88 1tui h GLU 118 Ca 0.10 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.65 1tui h GLU 118 Cb 0.55 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1tui h GLU 118 CO 0.03 -0.23 0.62 0.45 -1.00 0.00 0.00 179.01 178.88 1tui h HIS 119 N -0.42 1.08 0.19 4.33 3.86 -0.53 -0.59 115.15 123.08 1tui h HIS 119 Ca -0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1tui h HIS 119 Cb 0.32 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1tui h HIS 119 CO -0.05 0.31 -0.09 0.82 0.86 0.00 0.00 177.93 179.78 1tui h ILE 120 N 0.84 0.82 0.03 2.45 2.04 -1.27 0.23 117.51 122.65 1tui h ILE 120 Ca 0.55 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.37 1tui h ILE 120 Cb 0.76 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1tui h ILE 120 CO -0.33 0.01 -0.22 0.25 0.00 0.00 0.00 178.15 177.86 1tui h LEU 121 N -0.29 -0.65 0.17 1.44 5.85 -0.64 0.86 115.31 122.05 1tui h LEU 121 Ca -0.03 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1tui h LEU 121 Cb 0.22 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1tui h LEU 121 CO 0.04 -0.30 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.42 1tui h LEU 122 N -0.37 -1.02 -1.21 2.25 3.38 -0.98 0.44 115.31 117.79 1tui h LEU 122 Ca 0.05 0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.43 1tui h LEU 122 Cb 0.44 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 1tui h LEU 122 CO -0.18 -0.45 0.66 0.00 0.09 0.00 0.00 178.44 178.55 1tui h ALA 123 N -0.06 2.14 -0.20 1.53 0.00 -0.27 2.51 119.26 124.91 1tui h ALA 123 Ca 0.02 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1tui h ALA 123 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tui h ALA 123 CO -0.18 -0.63 -0.59 -0.09 0.00 0.00 0.00 179.25 177.76 1tui h ARG 124 N 0.39 0.75 0.01 0.00 9.65 0.13 0.15 114.38 125.46 1tui h ARG 124 Ca 0.66 -0.54 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1tui h ARG 124 Cb 1.61 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.28 1tui h ARG 124 CO -0.41 1.16 -0.00 1.96 2.80 0.00 0.00 179.97 185.47 1tui h GLN 125 N 0.48 -0.01 0.00 0.20 4.20 0.81 -2.39 115.11 118.39 1tui h GLN 125 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1tui h GLN 125 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1tui h GLN 125 CO 0.13 0.22 0.00 0.28 -0.67 0.00 0.00 178.83 178.78 1tui n VAL 126 N -4.99 1.01 -0.36 -0.54 0.31 0.39 -4.78 118.33 109.38 1tui n VAL 126 Ca -0.08 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1tui n VAL 126 Cb 0.13 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1tui n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tui n GLY 127 N -0.37 0.77 3.62 2.92 0.00 -0.41 -4.89 105.19 106.83 1tui n GLY 127 Ca 0.04 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.49 1tui n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tui n VAL 128 N -2.23 0.08 0.15 1.61 0.31 -0.10 -4.87 118.33 113.28 1tui n VAL 128 Ca 0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1tui n VAL 128 Cb 0.00 -0.72 0.08 0.00 -0.91 0.00 0.00 33.84 32.29 1tui n VAL 128 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1tui h PRO 129 N 5.00 0.00 -1.95 5.55 0.11 -1.82 -3.45 132.00 135.44 1tui h PRO 129 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1tui h PRO 129 Cb 1.35 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.25 1tui h PRO 129 CO 0.82 0.46 0.16 -0.47 -0.21 0.00 0.00 178.00 178.77 1tui s TYR 130 N -3.06 -0.78 0.03 0.65 5.04 -1.26 -4.97 117.35 113.00 1tui s TYR 130 Ca 0.03 1.86 0.06 0.00 -2.44 0.00 0.00 57.07 56.58 1tui s TYR 130 Cb 0.08 0.31 -0.03 0.00 0.35 0.00 0.00 41.96 42.67 1tui s TYR 130 CO 0.73 -0.38 -0.14 0.42 -1.34 0.00 0.00 175.55 174.85 1tui s ILE 131 N 0.48 3.12 -0.01 3.14 1.01 -1.26 -1.01 121.20 126.67 1tui s ILE 131 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1tui s ILE 131 Cb -0.05 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1tui s ILE 131 CO -0.02 0.34 -0.01 -0.69 0.00 0.00 0.00 174.94 174.57 1tui s VAL 132 N -0.97 0.17 -0.03 2.92 1.01 -0.93 -4.66 120.40 117.91 1tui s VAL 132 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1tui s VAL 132 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1tui s VAL 132 CO 0.07 0.09 0.03 -0.69 0.00 0.00 0.00 175.10 174.60 1tui s VAL 133 N 0.46 4.45 -0.27 2.92 1.01 0.63 -0.58 120.40 129.03 1tui s VAL 133 Ca -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1tui s VAL 133 Cb -0.07 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.42 1tui s VAL 133 CO -0.01 0.44 -0.02 0.12 0.00 0.00 0.00 175.10 175.64 1tui s PHE 134 N -1.06 2.59 -0.39 5.22 5.36 -0.36 -1.74 117.98 127.60 1tui s PHE 134 Ca 0.19 -2.01 -0.29 0.00 -0.96 0.00 0.00 56.93 53.85 1tui s PHE 134 Cb -0.12 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1tui s PHE 134 CO 0.09 -0.83 1.23 1.41 -1.46 0.00 0.00 175.22 175.66 1tui s MET 135 N 1.32 3.81 0.42 10.12 -2.45 -0.11 -2.34 119.30 130.08 1tui s MET 135 Ca -0.01 0.92 0.08 0.00 -1.25 0.00 0.00 55.69 55.43 1tui s MET 135 Cb -0.19 -3.89 -0.02 0.00 1.25 0.00 0.00 34.83 31.98 1tui s MET 135 CO -0.09 -1.26 0.38 1.21 1.05 0.00 0.00 175.02 176.31 1tui s ASN 136 N 2.70 5.01 0.00 1.11 3.04 -0.80 0.05 114.94 126.05 1tui s ASN 136 Ca 0.52 -0.78 0.00 0.00 0.04 0.00 0.00 52.86 52.64 1tui s ASN 136 Cb -0.12 -0.51 0.00 0.00 -1.54 0.00 0.00 41.25 39.08 1tui s ASN 136 CO 0.26 -0.68 0.00 0.29 -3.04 0.00 0.00 177.10 173.93 1tui n LYS 137 N -1.56 -0.55 0.23 0.43 5.02 -0.55 -1.85 118.16 119.33 1tui n LYS 137 Ca 0.03 0.14 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1tui n LYS 137 Cb 0.62 -3.60 0.32 0.00 -0.02 0.00 0.00 35.03 32.35 1tui n LYS 137 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1tui h VAL 138 N 0.00 0.00 0.00 -0.18 3.04 -1.62 0.49 116.25 117.98 1tui h VAL 138 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1tui h VAL 138 Cb 0.28 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1tui h VAL 138 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.66 1tui n ASP 139 N -2.25 0.00 -0.64 3.17 5.75 -1.26 -2.06 116.55 119.26 1tui n ASP 139 Ca -0.01 -0.76 0.11 0.00 -0.01 0.00 0.00 54.79 54.12 1tui n ASP 139 Cb 0.54 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.67 1tui n ASP 139 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1tui n MET 140 N -0.99 1.63 -3.72 0.11 2.81 0.17 -4.90 117.12 112.23 1tui n MET 140 Ca 0.17 -1.31 -0.24 0.00 -1.81 0.00 0.00 57.70 54.51 1tui n MET 140 Cb 0.08 -1.44 -0.17 0.00 -0.71 0.00 0.00 33.22 30.98 1tui n MET 140 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tui s VAL 141 N -2.18 0.29 -0.11 2.03 1.01 -0.88 -5.01 120.40 115.56 1tui s VAL 141 Ca 0.21 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1tui s VAL 141 Cb 0.18 -0.64 -0.27 0.00 0.00 0.00 0.00 36.38 35.65 1tui s VAL 141 CO 0.44 0.03 0.62 0.44 0.00 0.00 0.00 175.10 176.64 1tui h ASP 142 N 8.33 0.31 -1.93 3.32 3.32 -1.90 -3.45 116.42 124.42 1tui h ASP 142 Ca -0.17 -0.85 -0.55 0.00 0.02 0.00 0.00 57.03 55.47 1tui h ASP 142 Cb 1.13 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1tui h ASP 142 CO 0.27 1.48 1.52 -0.62 -1.72 0.00 0.00 179.24 180.17 1tui s ASP 143 N -6.90 5.19 0.61 6.45 -1.08 -1.26 -4.80 116.67 114.87 1tui s ASP 143 Ca -0.19 1.61 0.40 0.00 -0.52 0.00 0.00 52.55 53.85 1tui s ASP 143 Cb 0.03 -2.51 2.09 0.00 -1.46 0.00 0.00 42.92 41.07 1tui s ASP 143 CO 0.75 -2.21 2.22 1.55 0.52 0.00 0.00 175.17 178.01 1tui h PRO 144 N 16.19 0.00 -0.51 4.34 0.13 -1.99 0.39 132.00 150.55 1tui h PRO 144 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1tui h PRO 144 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1tui h PRO 144 CO 1.02 0.00 -0.12 1.49 -0.23 0.00 0.00 178.00 180.16 1tui h GLU 145 N 0.00 0.96 0.08 0.86 4.81 -1.99 -1.30 114.58 118.00 1tui h GLU 145 Ca 0.00 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1tui h GLU 145 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1tui h GLU 145 CO 0.00 1.02 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.19 1tui h LEU 146 N 0.86 -0.09 -2.09 1.64 3.38 -0.61 0.86 115.31 119.26 1tui h LEU 146 Ca 0.13 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1tui h LEU 146 Cb 0.66 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1tui h LEU 146 CO 0.05 0.15 0.07 -0.07 0.09 0.00 0.00 178.44 178.73 1tui h LEU 147 N -0.33 0.00 0.06 1.67 3.38 -1.32 0.15 115.31 118.91 1tui h LEU 147 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1tui h LEU 147 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 1tui h LEU 147 CO 0.02 0.00 -1.19 0.44 0.09 0.00 0.00 178.44 177.80 1tui h ASP 148 N 0.00 0.76 0.54 -0.43 3.32 -0.95 -2.75 116.42 116.92 1tui h ASP 148 Ca 0.04 -0.70 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 1tui h ASP 148 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1tui h ASP 148 CO -0.00 1.51 -0.42 0.25 -1.72 0.00 0.00 179.24 178.86 1tui h LEU 149 N 0.25 -1.11 -0.65 1.55 5.85 0.18 -1.97 115.31 119.41 1tui h LEU 149 Ca -0.16 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.76 1tui h LEU 149 Cb 1.86 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 43.15 1tui h LEU 149 CO 0.22 -0.61 0.20 0.58 -0.34 0.00 0.00 178.44 178.49 1tui h VAL 150 N -0.94 0.67 -0.69 1.05 2.07 -1.22 0.10 116.25 117.29 1tui h VAL 150 Ca -0.06 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1tui h VAL 150 Cb 0.80 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1tui h VAL 150 CO 0.01 0.06 0.40 -0.08 0.02 0.00 0.00 177.57 177.98 1tui h GLU 151 N 0.34 0.72 -0.18 1.57 4.81 -1.34 -0.27 114.58 120.24 1tui h GLU 151 Ca 0.34 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1tui h GLU 151 Cb 0.49 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1tui h GLU 151 CO -0.38 0.48 -0.43 0.52 -0.73 0.00 0.00 179.01 178.47 1tui h MET 152 N 0.75 0.42 -0.19 1.92 2.86 -0.47 0.19 114.93 120.41 1tui h MET 152 Ca 0.30 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1tui h MET 152 Cb 0.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1tui h MET 152 CO -0.16 0.77 -0.07 0.93 1.06 0.00 0.00 176.91 179.44 1tui h GLU 153 N 0.34 -0.03 0.69 1.72 5.08 -0.01 -1.26 114.58 121.11 1tui h GLU 153 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1tui h GLU 153 Cb 0.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1tui h GLU 153 CO 0.08 -0.02 -0.46 0.28 -1.00 0.00 0.00 179.01 177.88 1tui h VAL 154 N -0.03 0.08 -0.89 3.13 2.07 -0.83 -0.78 116.25 118.99 1tui h VAL 154 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.82 1tui h VAL 154 Cb 0.18 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1tui h VAL 154 CO -0.21 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.00 1tui h ARG 155 N -1.09 0.35 -0.40 1.57 3.08 -0.85 0.07 114.38 117.11 1tui h ARG 155 Ca -0.09 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1tui h ARG 155 Cb 0.89 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1tui h ARG 155 CO 0.06 0.23 -0.32 0.22 -1.07 0.00 0.00 179.97 179.10 1tui h ASP 156 N 0.36 0.97 0.09 7.04 3.58 -0.51 -0.96 116.42 126.99 1tui h ASP 156 Ca 0.46 -0.44 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1tui h ASP 156 Cb 1.22 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.97 1tui h ASP 156 CO -0.16 1.21 -0.19 -0.07 -2.88 0.00 0.00 179.24 177.15 1tui h LEU 157 N 0.74 -0.52 -2.07 2.28 3.38 0.43 0.13 115.31 119.67 1tui h LEU 157 Ca 0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1tui h LEU 157 Cb 0.90 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1tui h LEU 157 CO 0.08 -0.26 0.04 -0.07 0.09 0.00 0.00 178.44 178.32 1tui h LEU 158 N -0.35 0.00 -0.63 1.67 3.38 -1.18 1.40 115.31 119.60 1tui h LEU 158 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1tui h LEU 158 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1tui h LEU 158 CO -0.12 0.00 -0.68 0.78 0.09 0.00 0.00 178.44 178.52 1tui h ASN 159 N 0.00 0.04 -0.11 -0.43 4.21 -0.23 0.26 115.58 119.32 1tui h ASN 159 Ca 0.02 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1tui h ASN 159 Cb 0.10 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 1tui h ASN 159 CO -0.00 0.70 -0.15 1.56 -1.29 0.00 0.00 177.43 178.25 1tui h GLN 160 N 0.02 0.47 -0.75 0.81 4.20 0.46 -2.63 115.11 117.69 1tui h GLN 160 Ca -0.01 -0.14 -0.36 0.00 0.06 0.00 0.00 58.65 58.20 1tui h GLN 160 Cb 1.20 -0.05 -0.21 0.00 0.30 0.00 0.00 27.48 28.72 1tui h GLN 160 CO 0.09 0.62 0.36 0.66 -0.67 0.00 0.00 178.83 179.89 1tui n TYR 161 N -4.19 2.33 -0.61 2.96 4.01 -1.04 -4.93 117.16 115.69 1tui n TYR 161 Ca 0.00 -1.64 0.00 0.00 -0.16 0.00 0.00 57.90 56.10 1tui n TYR 161 Cb 0.33 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1tui n TYR 161 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1tui n GLU 162 N -0.96 0.00 -1.69 -0.72 1.02 -0.99 -4.89 120.64 112.41 1tui n GLU 162 Ca 0.48 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.29 1tui n GLU 162 Cb 1.42 -2.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1tui n GLU 162 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1tui s PHE 163 N -3.16 2.56 -1.35 -0.32 0.08 0.89 -4.86 117.98 111.83 1tui s PHE 163 Ca 0.00 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.46 1tui s PHE 163 Cb 0.00 -3.19 0.08 0.00 -0.57 0.00 0.00 43.02 39.34 1tui s PHE 163 CO 0.00 -1.79 1.91 -0.35 -0.10 0.00 0.00 175.22 174.89 1tui n PRO 164 N -2.52 3.13 0.24 0.24 -0.04 -1.26 -3.85 135.00 130.93 1tui n PRO 164 Ca 0.11 -3.11 0.08 0.00 -0.04 0.00 0.00 63.50 60.53 1tui n PRO 164 Cb 0.52 -3.31 0.59 0.00 -0.04 0.00 0.00 33.50 31.26 1tui n PRO 164 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tui h GLY 165 N 10.77 0.00 1.95 0.55 0.00 -1.79 -0.80 103.07 113.74 1tui h GLY 165 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 1tui h GLY 165 CO 1.62 0.00 -0.25 -0.55 0.00 0.00 0.00 176.54 177.36 1tui h ASP 166 N 0.00 0.06 0.13 0.19 3.32 -1.84 -3.26 116.42 115.02 1tui h ASP 166 Ca -0.00 -0.02 -0.33 0.00 0.02 0.00 0.00 57.03 56.70 1tui h ASP 166 Cb 0.34 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1tui h ASP 166 CO 0.02 0.32 -2.19 -0.62 -1.72 0.00 0.00 179.24 175.05 1tui n GLU 167 N -4.22 0.67 -0.52 3.56 1.02 -0.39 -5.02 120.64 115.75 1tui n GLU 167 Ca -0.02 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 1tui n GLU 167 Cb 0.32 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.39 1tui n GLU 167 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1tui n VAL 168 N -2.80 0.00 -3.24 2.62 0.24 -0.72 -4.94 118.33 109.49 1tui n VAL 168 Ca -0.28 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.22 1tui n VAL 168 Cb 1.10 -0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 1tui n VAL 168 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1tui s PRO 169 N -4.21 4.19 -0.35 7.34 0.02 -1.26 -4.97 135.00 135.76 1tui s PRO 169 Ca 0.66 0.42 -0.01 0.00 0.02 0.00 0.00 61.00 62.09 1tui s PRO 169 Cb -0.23 -3.56 0.08 0.00 0.02 0.00 0.00 34.50 30.81 1tui s PRO 169 CO 0.65 -0.15 0.08 0.08 -0.33 0.00 0.00 177.00 177.33 1tui s VAL 170 N 1.65 2.94 -0.16 3.83 1.01 -1.26 -0.27 120.40 128.14 1tui s VAL 170 Ca 0.24 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.33 1tui s VAL 170 Cb -0.15 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1tui s VAL 170 CO 0.10 -0.42 0.07 -0.63 0.00 0.00 0.00 175.10 174.22 1tui s ILE 171 N 1.14 4.90 -0.16 2.22 1.01 -0.71 -4.92 121.20 124.68 1tui s ILE 171 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1tui s ILE 171 Cb -0.21 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1tui s ILE 171 CO -0.04 0.50 0.05 -0.13 0.00 0.00 0.00 174.94 175.32 1tui s ARG 172 N -0.01 3.73 0.00 2.79 0.52 -1.26 -0.93 118.95 123.80 1tui s ARG 172 Ca 0.07 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1tui s ARG 172 Cb -0.12 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1tui s ARG 172 CO 0.01 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1tui n GLY 173 N 3.17 1.12 2.87 -3.53 0.00 0.11 -4.94 105.19 103.98 1tui n GLY 173 Ca -0.17 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1tui n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tui s SER 174 N -0.80 3.68 0.15 1.61 0.15 -1.26 -1.48 113.70 115.76 1tui s SER 174 Ca 0.00 -1.18 -0.08 0.00 0.70 0.00 0.00 55.95 55.39 1tui s SER 174 Cb 0.00 -1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 63.28 1tui s SER 174 CO 0.00 -0.28 1.44 0.00 1.20 0.00 0.00 173.24 175.60 1tui h ALA 175 N 8.02 0.55 0.07 5.45 0.00 -1.95 -2.56 119.26 128.84 1tui h ALA 175 Ca -0.16 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1tui h ALA 175 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1tui h ALA 175 CO 0.40 0.69 -0.08 1.25 0.00 0.00 0.00 179.25 181.51 1tui h LEU 176 N 0.56 -0.22 -0.90 0.00 6.46 -1.95 -1.55 115.31 117.70 1tui h LEU 176 Ca 0.01 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1tui h LEU 176 Cb 1.15 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 1tui h LEU 176 CO 0.12 -0.13 0.41 -0.07 -0.62 0.00 0.00 178.44 178.15 1tui h LEU 177 N -0.18 1.09 0.10 2.25 3.38 -1.98 -1.66 115.31 118.31 1tui h LEU 177 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1tui h LEU 177 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1tui h LEU 177 CO -0.04 0.91 -0.05 0.00 0.09 0.00 0.00 178.44 179.35 1tui h ALA 178 N 1.26 -0.14 -1.00 1.53 0.00 -1.23 -1.95 119.26 117.74 1tui h ALA 178 Ca 0.29 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.33 1tui h ALA 178 Cb 0.10 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 1tui h ALA 178 CO -0.04 -0.56 0.62 1.25 0.00 0.00 0.00 179.25 180.52 1tui h LEU 179 N -0.17 0.80 -0.64 0.00 5.85 -0.84 0.46 115.31 120.76 1tui h LEU 179 Ca -0.01 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1tui h LEU 179 Cb 0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1tui h LEU 179 CO 0.02 0.32 -0.42 -0.08 -0.34 0.00 0.00 178.44 177.95 1tui h GLU 180 N 0.80 0.00 -0.13 1.25 4.22 -0.85 -2.19 114.58 117.68 1tui h GLU 180 Ca 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.96 1tui h GLU 180 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1tui h GLU 180 CO -0.34 0.42 -0.06 0.93 -2.18 0.00 0.00 179.01 177.78 1tui h GLU 181 N 0.00 0.27 -0.27 1.92 4.39 0.62 0.23 114.58 121.73 1tui h GLU 181 Ca -0.00 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.66 1tui h GLU 181 Cb 1.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1tui h GLU 181 CO 0.05 0.60 0.32 0.52 -1.16 0.00 0.00 179.01 179.35 1tui h MET 182 N -0.08 0.00 -0.00 2.33 2.86 -1.19 0.87 114.93 119.73 1tui h MET 182 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1tui h MET 182 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1tui h MET 182 CO 0.02 0.00 -0.24 0.45 1.06 0.00 0.00 176.91 178.20 1tui h HIS 183 N 0.00 0.24 -0.70 -0.22 3.86 -0.48 -2.76 115.15 115.09 1tui h HIS 183 Ca 0.13 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1tui h HIS 183 Cb 0.78 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 1tui h HIS 183 CO 0.00 0.93 0.24 0.87 0.86 0.00 0.00 177.93 180.83 1tui h LYS 184 N -0.51 1.07 -2.53 2.45 1.57 0.21 -3.39 116.57 115.44 1tui h LYS 184 Ca -0.03 -0.22 -0.59 0.00 -1.87 0.00 0.00 60.65 57.95 1tui h LYS 184 Cb 1.00 -0.16 -0.39 0.00 0.08 0.00 0.00 32.23 32.76 1tui h LYS 184 CO 0.05 0.91 -0.89 -0.80 -0.57 0.00 0.00 179.45 178.15 1tui s ASN 185 N -6.30 2.41 0.49 0.86 0.01 0.28 -4.93 114.94 107.76 1tui s ASN 185 Ca -0.12 -2.60 0.33 0.00 -0.71 0.00 0.00 52.86 49.76 1tui s ASN 185 Cb 0.14 -0.47 1.61 0.00 0.41 0.00 0.00 41.25 42.94 1tui s ASN 185 CO 0.83 -0.25 2.00 -0.65 -1.51 0.00 0.00 177.10 177.52 1tui h PRO 186 N 6.41 0.00 -0.02 -0.60 0.11 -1.70 0.30 132.00 136.49 1tui h PRO 186 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1tui h PRO 186 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1tui h PRO 186 CO 0.33 0.00 -0.05 1.63 -0.21 0.00 0.00 178.00 179.70 1tui n LYS 187 N -2.76 1.92 -1.61 1.05 5.02 -1.26 -4.57 118.16 115.95 1tui n LYS 187 Ca -0.01 -1.42 -0.47 0.00 -2.02 0.00 0.00 58.31 54.39 1tui n LYS 187 Cb 0.16 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1tui n LYS 187 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tui n THR 188 N 0.70 0.98 -4.51 -0.18 -1.04 0.10 -4.97 114.28 105.36 1tui n THR 188 Ca 0.15 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1tui n THR 188 Cb 0.49 -1.06 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 1tui n THR 188 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1tui n LYS 189 N 1.78 0.81 -0.85 -2.82 5.02 -1.26 -4.80 118.16 116.04 1tui n LYS 189 Ca 0.14 -2.94 -0.36 0.00 -2.02 0.00 0.00 58.31 53.13 1tui n LYS 189 Cb 0.27 1.19 0.09 0.00 -0.02 0.00 0.00 35.03 36.57 1tui n LYS 189 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1tui n ARG 190 N -0.89 -0.71 0.00 1.97 0.63 -1.26 -1.84 116.66 114.56 1tui n ARG 190 Ca -0.11 -0.20 0.00 0.00 -0.92 0.00 0.00 57.85 56.62 1tui n ARG 190 Cb 0.52 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.12 1tui n ARG 190 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 191 N 2.85 0.00 0.39 5.14 0.00 -1.26 -4.55 105.19 107.76 1tui n GLY 191 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1tui n GLY 191 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tui h GLU 192 N 0.00 -0.92 -6.35 1.61 5.08 -1.78 -3.45 114.58 108.77 1tui h GLU 192 Ca 0.00 0.06 -0.64 0.00 -1.00 0.00 0.00 59.36 57.79 1tui h GLU 192 Cb 0.00 0.21 -0.27 0.00 0.50 0.00 0.00 28.75 29.19 1tui h GLU 192 CO 0.00 -0.60 -0.86 1.21 -1.00 0.00 0.00 179.01 177.76 1tui s ASN 193 N -4.39 2.76 0.08 1.42 2.47 -1.26 -5.06 114.94 110.96 1tui s ASN 193 Ca -0.17 -0.51 -0.23 0.00 0.42 0.00 0.00 52.86 52.37 1tui s ASN 193 Cb 0.03 -0.26 -0.16 0.00 -1.45 0.00 0.00 41.25 39.41 1tui s ASN 193 CO 0.58 0.23 1.69 -0.08 -3.72 0.00 0.00 177.10 175.81 1tui h GLU 194 N 5.08 -0.00 -0.53 0.43 4.81 -1.98 0.21 114.58 122.61 1tui h GLU 194 Ca -0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1tui h GLU 194 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1tui h GLU 194 CO 0.45 0.05 0.25 -1.49 -0.73 0.00 0.00 179.01 177.54 1tui h TRP 195 N -0.05 0.76 -0.50 0.92 -0.00 -1.94 -2.38 115.95 112.77 1tui h TRP 195 Ca -0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 58.81 1tui h TRP 195 Cb 0.05 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.95 1tui h TRP 195 CO -0.06 0.60 0.15 0.28 -0.00 0.00 0.00 178.44 179.40 1tui h VAL 196 N 0.70 1.20 0.00 1.49 2.07 -1.82 -1.96 116.25 117.94 1tui h VAL 196 Ca 0.18 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1tui h VAL 196 Cb 0.13 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1tui h VAL 196 CO -0.02 0.26 -0.12 0.44 0.02 0.00 0.00 177.57 178.15 1tui h ASP 197 N 0.72 0.00 -0.30 0.57 5.19 -0.07 -1.69 116.42 120.85 1tui h ASP 197 Ca 0.17 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 1tui h ASP 197 Cb 0.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1tui h ASP 197 CO -0.01 0.12 -0.21 0.11 -3.12 0.00 0.00 179.24 176.14 1tui h LYS 198 N 0.00 0.77 -0.85 3.56 1.79 -1.12 0.11 116.57 120.83 1tui h LYS 198 Ca -0.00 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1tui h LYS 198 Cb 0.26 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1tui h LYS 198 CO 0.02 0.92 0.54 0.82 -1.08 0.00 0.00 179.45 180.66 1tui h ILE 199 N 0.68 1.23 -0.24 1.86 1.08 -1.32 -0.08 117.51 120.71 1tui h ILE 199 Ca 0.10 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1tui h ILE 199 Cb 0.71 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1tui h ILE 199 CO 0.05 0.23 -0.01 -0.50 -0.69 0.00 0.00 178.15 177.23 1tui h TRP 200 N 1.16 0.37 -0.39 1.37 4.06 -0.01 0.01 115.95 122.52 1tui h TRP 200 Ca 0.31 -0.03 -0.11 0.00 2.06 0.00 0.00 58.89 61.12 1tui h TRP 200 Cb -0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 1tui h TRP 200 CO 0.00 0.39 -0.20 0.93 -3.56 0.00 0.00 178.44 176.00 1tui h GLU 201 N 0.35 0.76 0.13 0.49 5.08 0.83 0.72 114.58 122.94 1tui h GLU 201 Ca 0.08 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1tui h GLU 201 Cb 0.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1tui h GLU 201 CO 0.01 0.90 -0.06 1.25 -1.00 0.00 0.00 179.01 180.11 1tui h LEU 202 N 0.67 -0.14 -0.95 1.33 5.85 -0.31 0.18 115.31 121.94 1tui h LEU 202 Ca 0.10 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1tui h LEU 202 Cb 0.70 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1tui h LEU 202 CO 0.05 0.04 0.59 -0.07 -0.34 0.00 0.00 178.44 178.71 1tui h LEU 203 N -0.32 0.89 -0.52 2.25 3.38 -0.77 0.17 115.31 120.39 1tui h LEU 203 Ca -0.02 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1tui h LEU 203 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1tui h LEU 203 CO 0.03 0.51 -0.37 0.44 0.09 0.00 0.00 178.44 179.14 1tui h ASP 204 N 0.99 0.84 -0.32 -0.43 3.32 -0.57 -1.56 116.42 118.69 1tui h ASP 204 Ca 0.45 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1tui h ASP 204 Cb 0.36 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1tui h ASP 204 CO -0.23 1.12 0.11 0.00 -1.72 0.00 0.00 179.24 178.51 1tui h ALA 205 N 0.92 0.37 0.61 3.45 0.00 0.16 0.37 119.26 125.13 1tui h ALA 205 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tui h ALA 205 Cb 0.92 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1tui h ALA 205 CO 0.08 -0.29 -0.46 0.82 0.00 0.00 0.00 179.25 179.40 1tui h ILE 206 N 0.24 0.00 -0.85 0.00 2.04 -0.57 1.32 117.51 119.70 1tui h ILE 206 Ca 0.15 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.17 1tui h ILE 206 Cb 0.12 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.14 1tui h ILE 206 CO -0.16 0.00 0.56 0.44 0.00 0.00 0.00 178.15 178.99 1tui h ASP 207 N -1.02 0.49 0.02 1.72 3.32 -0.59 -1.90 116.42 118.45 1tui h ASP 207 Ca -0.08 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1tui h ASP 207 Cb 0.85 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1tui h ASP 207 CO 0.03 0.23 -0.61 -0.08 -1.72 0.00 0.00 179.24 177.09 1tui h GLU 208 N 0.51 0.05 0.10 3.56 4.81 0.27 -3.41 114.58 120.47 1tui h GLU 208 Ca 0.43 -0.08 -0.27 0.00 -0.13 0.00 0.00 59.36 59.31 1tui h GLU 208 Cb 0.90 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1tui h GLU 208 CO -0.17 1.04 -1.18 1.88 -0.73 0.00 0.00 179.01 179.85 1tui h TYR 209 N -0.88 0.57 -3.42 0.92 0.05 0.20 -3.43 116.97 110.99 1tui h TYR 209 Ca -0.15 -0.39 -0.59 0.00 0.05 0.00 0.00 58.73 57.65 1tui h TYR 209 Cb 1.23 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.84 1tui h TYR 209 CO 0.20 1.27 0.59 0.42 -1.05 0.00 0.00 178.16 179.58 1tui s ILE 210 N -2.83 4.65 0.59 -2.88 1.01 -0.74 -4.94 121.20 116.05 1tui s ILE 210 Ca -0.05 1.33 -0.20 0.00 0.00 0.00 0.00 60.65 61.73 1tui s ILE 210 Cb 0.07 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1tui s ILE 210 CO 0.88 -0.41 1.35 -2.84 0.00 0.00 0.00 174.94 173.92 1tui s PRO 211 N 3.32 2.91 -0.03 2.79 0.02 -1.26 -4.81 135.00 137.93 1tui s PRO 211 Ca 0.38 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 1tui s PRO 211 Cb -0.13 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.26 1tui s PRO 211 CO 0.15 -1.36 0.99 0.95 -0.33 0.00 0.00 177.00 177.40 1tui s THR 212 N -1.32 4.84 0.60 0.99 -4.23 -1.26 -4.94 115.64 110.31 1tui s THR 212 Ca 0.76 2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 63.18 1tui s THR 212 Cb -0.40 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.08 1tui s THR 212 CO 0.46 0.11 1.04 -2.16 -0.54 0.00 0.00 174.62 173.52 1tui s PRO 213 N 1.31 3.43 0.04 3.99 0.04 -1.26 -5.06 135.00 137.50 1tui s PRO 213 Ca 0.51 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1tui s PRO 213 Cb -0.20 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1tui s PRO 213 CO 0.25 -0.71 1.02 0.08 0.04 0.00 0.00 177.00 177.68 1tui s VAL 214 N -2.68 4.58 0.33 -0.36 1.01 -1.26 -5.00 120.40 117.02 1tui s VAL 214 Ca 0.61 1.93 -0.27 0.00 0.00 0.00 0.00 61.98 64.24 1tui s VAL 214 Cb -0.14 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 1tui s VAL 214 CO 0.40 0.19 1.11 -0.60 0.00 0.00 0.00 175.10 176.20 1tui s ARG 215 N 0.73 4.42 0.17 2.72 6.06 -1.26 -4.90 118.95 126.89 1tui s ARG 215 Ca 0.52 1.76 -0.22 0.00 -2.50 0.00 0.00 55.73 55.29 1tui s ARG 215 Cb -0.24 -2.95 0.08 0.00 0.06 0.00 0.00 34.95 31.90 1tui s ARG 215 CO 0.29 0.03 1.61 -0.44 -2.50 0.00 0.00 175.30 174.29 1tui h ASP 216 N 3.30 -0.98 -0.60 -2.12 3.32 -1.94 -0.39 116.42 117.02 1tui h ASP 216 Ca -0.47 0.18 0.17 0.00 0.02 0.00 0.00 57.03 56.93 1tui h ASP 216 Cb 1.22 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 41.22 1tui h ASP 216 CO 0.65 -0.30 0.73 -0.37 -1.72 0.00 0.00 179.24 178.23 1tui h VAL 217 N -0.22 0.20 0.00 -1.35 -1.51 -1.90 0.33 116.25 111.80 1tui h VAL 217 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1tui h VAL 217 Cb 0.52 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1tui h VAL 217 CO -0.53 0.00 -0.89 0.47 -1.23 0.00 0.00 177.57 175.39 1tui n ASP 218 N -3.45 0.65 -4.79 4.19 8.00 -0.18 -3.51 116.55 117.45 1tui n ASP 218 Ca 0.12 -0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 1tui n ASP 218 Cb 0.94 0.55 0.09 0.00 -0.02 0.00 0.00 41.12 42.68 1tui n ASP 218 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tui s LYS 219 N -3.20 2.20 0.41 -1.24 1.02 0.11 -4.91 119.74 114.14 1tui s LYS 219 Ca 0.04 0.79 -0.26 0.00 0.02 0.00 0.00 55.97 56.56 1tui s LYS 219 Cb 0.14 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1tui s LYS 219 CO 0.77 -1.57 1.38 -2.14 -0.92 0.00 0.00 175.35 172.87 1tui s PRO 220 N -5.07 3.92 0.09 -1.68 0.02 -1.26 -2.94 135.00 128.07 1tui s PRO 220 Ca 0.60 2.33 -0.32 0.00 0.02 0.00 0.00 61.00 63.64 1tui s PRO 220 Cb -0.15 -2.78 -0.11 0.00 0.02 0.00 0.00 34.50 31.48 1tui s PRO 220 CO 0.55 -0.59 1.83 0.34 -0.33 0.00 0.00 177.00 178.80 1tui n PHE 221 N 0.12 2.54 -3.69 6.54 7.35 -1.24 -4.34 117.46 124.75 1tui n PHE 221 Ca 0.03 -0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.51 1tui n PHE 221 Cb 0.42 -2.71 -0.10 0.00 0.35 0.00 0.00 39.48 37.43 1tui n PHE 221 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1tui s LEU 222 N 2.88 -0.10 -0.11 -2.13 0.20 -0.60 0.20 118.68 119.00 1tui s LEU 222 Ca 0.84 0.93 -0.06 0.00 0.69 0.00 0.00 54.13 56.53 1tui s LEU 222 Cb -0.52 1.42 0.05 0.00 -0.43 0.00 0.00 46.19 46.71 1tui s LEU 222 CO 0.40 -0.19 0.27 -0.32 -0.29 0.00 0.00 176.35 176.21 1tui s MET 223 N 1.30 0.24 -0.20 1.98 1.75 0.14 -0.85 119.30 123.66 1tui s MET 223 Ca -0.09 0.56 -0.18 0.00 -1.25 0.00 0.00 55.69 54.73 1tui s MET 223 Cb -0.08 -0.10 -0.03 0.00 2.84 0.00 0.00 34.83 37.46 1tui s MET 223 CO -0.12 -0.16 0.51 -1.25 -0.65 0.00 0.00 175.02 173.35 1tui s PRO 224 N 1.24 4.19 0.04 4.11 0.05 -1.26 0.29 135.00 143.67 1tui s PRO 224 Ca -0.09 0.40 -0.30 0.00 0.05 0.00 0.00 61.00 61.06 1tui s PRO 224 Cb -0.10 -3.56 -0.07 0.00 0.05 0.00 0.00 34.50 30.82 1tui s PRO 224 CO -0.09 -0.13 1.55 0.08 0.05 0.00 0.00 177.00 178.46 1tui s VAL 225 N 1.58 3.31 -0.15 -0.36 1.01 0.78 -4.56 120.40 122.01 1tui s VAL 225 Ca 0.24 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1tui s VAL 225 Cb -0.15 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1tui s VAL 225 CO 0.10 -0.00 -0.23 1.21 0.00 0.00 0.00 175.10 176.17 1tui n GLU 226 N 5.47 0.37 -4.19 2.72 2.13 0.30 -1.62 120.64 125.82 1tui n GLU 226 Ca 0.15 0.16 -0.14 0.00 0.66 0.00 0.00 57.16 57.99 1tui n GLU 226 Cb 0.42 -1.13 -0.11 0.00 0.27 0.00 0.00 31.44 30.89 1tui n GLU 226 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1tui s ASP 227 N -6.44 1.48 -0.01 4.31 1.11 -1.04 -4.58 116.67 111.48 1tui s ASP 227 Ca -0.24 -0.85 0.05 0.00 0.18 0.00 0.00 52.55 51.70 1tui s ASP 227 Cb 0.08 0.01 -0.01 0.00 1.07 0.00 0.00 42.92 44.07 1tui s ASP 227 CO 0.31 -0.28 -0.18 -0.69 1.18 0.00 0.00 175.17 175.51 1tui s VAL 228 N -2.62 1.38 0.18 -1.27 1.01 -1.26 -0.78 120.40 117.04 1tui s VAL 228 Ca 0.07 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1tui s VAL 228 Cb -0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1tui s VAL 228 CO -0.00 0.39 0.28 -0.36 0.00 0.00 0.00 175.10 175.41 1tui s PHE 229 N -0.40 0.55 -0.08 5.22 0.40 -0.41 -4.96 117.98 118.30 1tui s PHE 229 Ca 0.07 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.54 1tui s PHE 229 Cb -0.07 -0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.35 1tui s PHE 229 CO -0.01 -0.74 -0.18 0.95 0.70 0.00 0.00 175.22 175.94 1tui s THR 230 N -4.01 1.59 -0.80 0.64 -4.23 -1.26 0.14 115.64 107.70 1tui s THR 230 Ca 0.22 -0.75 -0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1tui s THR 230 Cb 0.03 -1.40 0.21 0.00 1.34 0.00 0.00 72.50 72.69 1tui s THR 230 CO 0.04 0.46 0.72 -0.63 -0.54 0.00 0.00 174.62 174.67 1tui s ILE 231 N 0.46 5.31 0.00 2.99 1.01 0.65 -4.93 121.20 126.68 1tui s ILE 231 Ca -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 60.65 57.90 1tui s ILE 231 Cb -0.16 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1tui s ILE 231 CO 0.06 -1.01 0.00 0.35 0.00 0.00 0.00 174.94 174.34 1tui n THR 232 N 3.83 0.00 1.20 2.92 -2.24 -1.26 0.25 114.28 118.99 1tui n THR 232 Ca 0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1tui n THR 232 Cb 0.45 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.05 1tui n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tui n GLY 233 N -0.28 -0.75 0.24 3.38 0.00 -1.26 -4.37 105.19 102.14 1tui n GLY 233 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1tui n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tui n ARG 234 N -0.83 0.46 0.00 1.61 1.74 0.71 -5.13 116.66 115.21 1tui n ARG 234 Ca 0.11 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1tui n ARG 234 Cb 0.34 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1tui n ARG 234 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tui n GLY 235 N 2.12 0.16 3.74 -0.13 0.00 0.18 -4.94 105.19 106.32 1tui n GLY 235 Ca -0.38 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.35 1tui n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tui s THR 236 N -0.39 4.42 -0.09 2.61 2.01 -1.26 -0.25 115.64 122.68 1tui s THR 236 Ca 0.00 1.97 -0.00 0.00 0.31 0.00 0.00 61.69 63.97 1tui s THR 236 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1tui s THR 236 CO 0.00 0.39 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.56 1tui s VAL 237 N -0.42 0.88 -0.20 3.82 1.01 0.37 -0.60 120.40 125.27 1tui s VAL 237 Ca 0.43 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1tui s VAL 237 Cb -0.24 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1tui s VAL 237 CO 0.29 0.33 0.20 0.00 0.00 0.00 0.00 175.10 175.92 1tui s ALA 238 N 1.54 3.64 0.25 5.51 0.00 -0.58 -1.28 121.76 130.84 1tui s ALA 238 Ca 0.01 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1tui s ALA 238 Cb -0.13 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1tui s ALA 238 CO -0.05 0.03 -0.16 0.95 0.00 0.00 0.00 175.76 176.52 1tui s THR 239 N 0.62 2.69 0.00 0.00 -4.23 0.04 0.36 115.64 115.11 1tui s THR 239 Ca 0.11 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1tui s THR 239 Cb -0.12 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1tui s THR 239 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1tui n GLY 240 N -0.43 3.25 3.73 3.99 0.00 -0.91 -0.54 105.19 114.27 1tui n GLY 240 Ca -0.07 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1tui n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tui s ARG 241 N -2.26 4.51 0.19 1.61 3.52 -1.26 -2.67 118.95 122.58 1tui s ARG 241 Ca 0.00 1.75 -0.30 0.00 -0.13 0.00 0.00 55.73 57.05 1tui s ARG 241 Cb 0.00 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 30.00 1tui s ARG 241 CO 0.00 -0.10 1.08 0.42 -0.81 0.00 0.00 175.30 175.90 1tui s ILE 242 N 0.39 3.88 -0.11 4.11 1.01 0.74 -4.32 121.20 126.90 1tui s ILE 242 Ca 0.54 1.65 0.15 0.00 0.00 0.00 0.00 60.65 62.99 1tui s ILE 242 Cb -0.30 -4.05 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1tui s ILE 242 CO 0.33 0.30 0.40 1.21 0.00 0.00 0.00 174.94 177.18 1tui n GLU 243 N 2.24 0.66 -3.54 2.79 2.13 -0.03 -1.49 120.64 123.40 1tui n GLU 243 Ca 0.02 0.17 -0.14 0.00 0.66 0.00 0.00 57.16 57.87 1tui n GLU 243 Cb 0.46 -1.68 -0.05 0.00 0.27 0.00 0.00 31.44 30.44 1tui n GLU 243 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1tui s ARG 244 N -2.55 0.88 4.32 5.31 1.70 -0.95 -4.70 118.95 122.96 1tui s ARG 244 Ca -0.07 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1tui s ARG 244 Cb 0.07 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1tui s ARG 244 CO 0.82 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 175.17 1tui n GLY 245 N 0.69 0.89 3.64 3.88 0.00 -0.75 -1.56 105.19 111.98 1tui n GLY 245 Ca -0.15 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1tui n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tui s LYS 246 N 0.00 1.51 -0.01 1.61 3.01 -1.26 -0.11 119.74 124.49 1tui s LYS 246 Ca 0.00 -0.71 0.04 0.00 -1.01 0.00 0.00 55.97 54.28 1tui s LYS 246 Cb 0.00 0.59 -0.01 0.00 -1.01 0.00 0.00 37.83 37.40 1tui s LYS 246 CO 0.00 -0.68 -0.12 0.14 0.51 0.00 0.00 175.35 175.20 1tui s VAL 247 N -3.81 0.94 0.12 3.17 -7.23 1.08 -4.79 120.40 109.88 1tui s VAL 247 Ca 0.06 -0.53 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 1tui s VAL 247 Cb -0.03 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 1tui s VAL 247 CO -0.03 0.25 -0.17 -1.59 -0.31 0.00 0.00 175.10 173.25 1tui s LYS 248 N -0.33 1.07 0.84 4.82 -2.85 -1.26 0.44 119.74 122.47 1tui s LYS 248 Ca 0.04 -1.21 -0.14 0.00 -1.00 0.00 0.00 55.97 53.66 1tui s LYS 248 Cb -0.05 -1.10 0.03 0.00 -2.06 0.00 0.00 37.83 34.66 1tui s LYS 248 CO -0.00 0.23 0.69 0.28 0.10 0.00 0.00 175.35 176.64 1tui n VAL 249 N 0.73 1.05 0.00 1.79 0.31 -1.25 -1.65 118.33 119.30 1tui n VAL 249 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1tui n VAL 249 Cb 0.56 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1tui n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tui n GLY 250 N 1.23 2.98 3.74 2.92 0.00 0.33 -4.98 105.19 111.41 1tui n GLY 250 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1tui n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 251 N -2.97 6.81 0.07 1.61 1.11 -0.66 -4.80 116.67 117.84 1tui s ASP 251 Ca 0.00 2.48 -0.15 0.00 0.18 0.00 0.00 52.55 55.06 1tui s ASP 251 Cb 0.00 -2.61 -0.06 0.00 1.07 0.00 0.00 42.92 41.32 1tui s ASP 251 CO 0.00 -0.59 0.48 -0.70 1.18 0.00 0.00 175.17 175.53 1tui s GLU 252 N -0.07 3.96 0.13 8.23 2.12 -1.26 -0.76 118.70 131.05 1tui s GLU 252 Ca 0.58 0.46 -0.02 0.00 0.36 0.00 0.00 54.97 56.35 1tui s GLU 252 Cb -0.38 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1tui s GLU 252 CO 0.39 0.60 0.08 0.14 -0.54 0.00 0.00 175.26 175.93 1tui s VAL 253 N -1.25 0.11 -0.01 3.70 -7.23 0.11 -4.49 120.40 111.33 1tui s VAL 253 Ca 0.30 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1tui s VAL 253 Cb -0.16 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1tui s VAL 253 CO 0.17 -0.50 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.79 1tui s GLU 254 N -4.02 2.61 -0.35 4.82 2.02 -0.18 -0.68 118.70 122.92 1tui s GLU 254 Ca 0.21 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.41 1tui s GLU 254 Cb 0.07 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1tui s GLU 254 CO 0.00 0.62 0.22 0.42 0.02 0.00 0.00 175.26 176.54 1tui s ILE 255 N -0.96 4.95 -0.07 -1.63 1.01 0.43 -0.03 121.20 124.90 1tui s ILE 255 Ca 0.16 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1tui s ILE 255 Cb -0.11 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1tui s ILE 255 CO 0.06 -0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.03 1tui s VAL 256 N 1.65 2.57 0.00 2.92 1.01 0.17 -2.21 120.40 126.51 1tui s VAL 256 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1tui s VAL 256 Cb -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1tui s VAL 256 CO 0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1tui n GLY 257 N 2.82 2.17 4.88 4.51 0.00 -1.26 0.23 105.19 118.53 1tui n GLY 257 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1tui n GLY 257 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tui n LEU 258 N 0.00 0.00 -4.74 0.99 4.77 0.06 -4.74 117.00 113.34 1tui n LEU 258 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1tui n LEU 258 Cb 0.00 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1tui n LEU 258 CO 0.00 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 176.75 1tui s ALA 259 N 0.00 1.99 -0.59 -1.18 0.00 -1.26 -4.64 121.76 116.08 1tui s ALA 259 Ca 0.00 0.23 0.21 0.00 0.00 0.00 0.00 51.96 52.40 1tui s ALA 259 Cb 0.00 -3.28 0.89 0.00 0.00 0.00 0.00 23.12 20.74 1tui s ALA 259 CO 0.00 -2.02 1.64 -0.35 0.00 0.00 0.00 175.76 175.04 1tui n PRO 260 N -3.69 0.15 -3.56 0.00 -0.04 -1.26 -4.79 135.00 121.81 1tui n PRO 260 Ca 0.09 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1tui n PRO 260 Cb 0.53 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1tui n PRO 260 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tui s GLU 261 N -3.25 1.06 -0.03 0.54 2.02 -1.26 -5.14 118.70 112.64 1tui s GLU 261 Ca 0.05 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 1tui s GLU 261 Cb 0.09 0.49 -0.04 0.00 0.10 0.00 0.00 34.13 34.77 1tui s GLU 261 CO 0.35 -0.39 0.78 0.99 0.02 0.00 0.00 175.26 177.01 1tui s THR 262 N -2.52 4.94 0.14 3.63 2.01 -1.26 -4.86 115.64 117.72 1tui s THR 262 Ca -0.05 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.65 1tui s THR 262 Cb -0.01 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1tui s THR 262 CO -0.02 0.25 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.52 1tui s ARG 263 N 0.69 2.31 -0.09 4.92 3.52 -0.94 -4.92 118.95 124.45 1tui s ARG 263 Ca 0.41 -1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1tui s ARG 263 Cb -0.19 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1tui s ARG 263 CO 0.21 0.49 -0.06 0.15 -0.81 0.00 0.00 175.30 175.29 1tui s LYS 264 N -2.57 2.99 0.06 5.12 1.02 -1.26 0.16 119.74 125.26 1tui s LYS 264 Ca 0.25 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1tui s LYS 264 Cb -0.10 -2.68 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1tui s LYS 264 CO 0.17 0.57 0.07 0.25 -0.92 0.00 0.00 175.35 175.48 1tui n THR 265 N 2.53 0.00 -4.36 2.17 -2.24 0.14 -4.98 114.28 107.54 1tui n THR 265 Ca -0.18 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 1tui n THR 265 Cb 0.53 0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.79 1tui n THR 265 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tui s VAL 266 N -2.37 0.79 0.16 2.28 1.01 -1.26 0.07 120.40 121.08 1tui s VAL 266 Ca 0.06 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1tui s VAL 266 Cb 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.55 1tui s VAL 266 CO 0.04 0.27 1.47 -0.69 0.00 0.00 0.00 175.10 176.18 1tui s VAL 267 N 0.59 2.91 -0.06 2.92 1.01 0.06 -2.36 120.40 125.48 1tui s VAL 267 Ca -0.10 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1tui s VAL 267 Cb -0.13 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1tui s VAL 267 CO 0.01 0.06 0.81 0.35 0.00 0.00 0.00 175.10 176.33 1tui n THR 268 N 3.61 0.58 -3.45 3.92 -2.24 0.13 -0.51 114.28 116.31 1tui n THR 268 Ca 0.11 -0.79 0.02 0.00 -2.27 0.00 0.00 64.05 61.12 1tui n THR 268 Cb 0.40 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1tui n THR 268 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1tui s GLY 269 N -0.60 0.21 0.58 3.38 0.00 -1.23 -4.86 107.32 104.80 1tui s GLY 269 Ca 0.01 3.46 0.09 0.00 0.00 0.00 0.00 44.72 48.29 1tui s GLY 269 CO 0.01 3.03 0.77 -0.62 0.00 0.00 0.00 173.10 176.28 1tui n VAL 270 N 4.08 0.00 0.00 1.40 0.31 -1.26 0.90 118.33 123.77 1tui n VAL 270 Ca -0.12 -1.97 0.00 0.00 -0.01 0.00 0.00 64.34 62.23 1tui n VAL 270 Cb 0.55 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1tui n VAL 270 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1tui n GLU 271 N -2.23 0.00 -3.54 5.55 2.13 -1.14 -4.49 120.64 116.92 1tui n GLU 271 Ca 0.15 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.80 1tui n GLU 271 Cb 0.61 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.26 1tui n GLU 271 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1tui s MET 272 N -0.94 0.99 -1.44 5.31 -2.45 -0.71 -2.16 119.30 117.89 1tui s MET 272 Ca 0.00 0.36 -0.10 0.00 -1.25 0.00 0.00 55.69 54.70 1tui s MET 272 Cb 0.00 0.47 0.06 0.00 1.25 0.00 0.00 34.83 36.61 1tui s MET 272 CO 0.00 -0.28 0.70 0.72 1.05 0.00 0.00 175.02 177.21 1tui n HIS 273 N 1.17 -2.03 0.00 4.11 8.25 -1.26 -2.26 115.22 123.20 1tui n HIS 273 Ca -0.18 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1tui n HIS 273 Cb 0.57 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 28.02 1tui n HIS 273 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1tui n ARG 274 N -4.16 0.00 -0.56 -0.41 1.74 -1.26 -4.92 116.66 107.09 1tui n ARG 274 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1tui n ARG 274 Cb 0.55 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.21 1tui n ARG 274 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1tui n LYS 275 N 0.00 -1.72 0.00 5.56 0.00 -0.96 -5.02 118.16 116.02 1tui n LYS 275 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 58.31 57.85 1tui n LYS 275 Cb 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 35.03 32.82 1tui n LYS 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1tui n THR 276 N -4.69 0.00 0.00 0.58 -1.04 -1.26 -1.75 114.28 106.12 1tui n THR 276 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1tui n THR 276 Cb 0.54 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1tui n THR 276 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1tui n LEU 277 N 0.00 0.00 0.09 -4.42 7.94 -1.26 -4.04 117.00 115.31 1tui n LEU 277 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 1tui n LEU 277 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 1tui n LEU 277 CO 0.00 0.00 0.00 1.56 -1.11 0.00 0.00 177.39 177.84 1tui h GLN 278 N 0.00 0.49 -4.39 1.96 7.50 -1.95 -3.41 115.11 115.31 1tui h GLN 278 Ca 0.00 -0.65 -0.33 0.00 0.50 0.00 0.00 58.65 58.16 1tui h GLN 278 Cb 0.00 0.21 -0.28 0.00 0.05 0.00 0.00 27.48 27.46 1tui h GLN 278 CO 0.00 1.27 -0.76 -2.00 -1.50 0.00 0.00 178.83 175.85 1tui s GLU 279 N -2.99 0.47 -0.27 1.46 2.12 -1.26 -3.85 118.70 114.38 1tui s GLU 279 Ca -0.07 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 54.92 1tui s GLU 279 Cb 0.07 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.96 1tui s GLU 279 CO 0.91 0.12 0.17 0.20 -0.54 0.00 0.00 175.26 176.11 1tui s GLY 280 N -0.22 1.91 0.09 -1.50 0.00 1.51 -4.90 107.32 104.22 1tui s GLY 280 Ca 0.02 -1.07 0.09 0.00 0.00 0.00 0.00 44.72 43.76 1tui s GLY 280 CO -0.00 0.60 -0.24 -0.42 0.00 0.00 0.00 173.10 173.04 1tui s ILE 281 N 1.64 1.94 0.00 0.90 1.01 -1.26 0.35 121.20 125.79 1tui s ILE 281 Ca 0.07 -1.51 -0.40 0.00 0.00 0.00 0.00 60.65 58.81 1tui s ILE 281 Cb -0.16 -1.72 -0.20 0.00 0.01 0.00 0.00 42.46 40.40 1tui s ILE 281 CO 0.09 0.12 1.08 0.00 0.00 0.00 0.00 174.94 176.23 1tui n ALA 282 N 1.32 -3.56 0.00 9.38 0.00 0.84 -0.45 120.51 128.04 1tui n ALA 282 Ca -0.18 0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1tui n ALA 282 Cb 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1tui n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tui n GLY 283 N 1.55 2.69 3.75 0.00 0.00 -0.55 -4.94 105.19 107.68 1tui n GLY 283 Ca 0.20 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1tui n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 284 N 0.24 6.86 -0.75 1.61 1.01 0.40 -4.61 116.67 121.44 1tui s ASP 284 Ca 0.00 2.49 -0.15 0.00 0.71 0.00 0.00 52.55 55.60 1tui s ASP 284 Cb 0.00 -2.62 0.18 0.00 1.01 0.00 0.00 42.92 41.49 1tui s ASP 284 CO 0.00 -0.52 0.72 0.20 0.21 0.00 0.00 175.17 175.78 1tui s ASN 285 N 0.06 6.58 0.00 0.27 0.01 -1.26 -0.18 114.94 120.41 1tui s ASN 285 Ca 0.54 -2.35 0.00 0.00 -0.71 0.00 0.00 52.86 50.35 1tui s ASN 285 Cb -0.38 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1tui s ASN 285 CO 0.42 -0.71 0.00 1.33 -1.51 0.00 0.00 177.10 176.63 1tui n VAL 286 N 4.49 0.00 -3.71 1.60 0.24 -1.09 -4.77 118.33 115.08 1tui n VAL 286 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1tui n VAL 286 Cb 0.45 -0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 31.77 1tui n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tui s GLY 287 N -1.40 -0.20 0.10 7.63 0.00 -0.92 -2.14 107.32 110.40 1tui s GLY 287 Ca 0.00 1.17 0.09 0.00 0.00 0.00 0.00 44.72 45.98 1tui s GLY 287 CO 0.00 1.43 -0.20 1.08 0.00 0.00 0.00 173.10 175.41 1tui s LEU 288 N 1.36 2.59 -0.40 0.66 1.43 0.16 -2.87 118.68 121.61 1tui s LEU 288 Ca -0.09 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 1tui s LEU 288 Cb -0.10 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1tui s LEU 288 CO -0.10 0.20 0.29 -0.76 0.23 0.00 0.00 176.35 176.21 1tui s LEU 289 N -1.92 5.02 0.03 1.79 1.02 0.26 -1.53 118.68 123.35 1tui s LEU 289 Ca 0.16 -0.86 -0.18 0.00 0.02 0.00 0.00 54.13 53.27 1tui s LEU 289 Cb -0.10 -2.15 -0.06 0.00 0.02 0.00 0.00 46.19 43.90 1tui s LEU 289 CO 0.08 -0.42 0.52 -0.76 0.02 0.00 0.00 176.35 175.79 1tui s LEU 290 N 1.67 4.49 -0.32 1.79 1.43 0.23 0.19 118.68 128.16 1tui s LEU 290 Ca 0.05 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1tui s LEU 290 Cb -0.19 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1tui s LEU 290 CO 0.10 0.25 0.23 -0.60 0.23 0.00 0.00 176.35 176.56 1tui s ARG 291 N -0.89 3.65 0.00 1.70 3.52 -0.99 -4.21 118.95 121.73 1tui s ARG 291 Ca 0.28 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1tui s ARG 291 Cb -0.18 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1tui s ARG 291 CO 0.17 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1tui n GLY 292 N 5.08 0.91 3.10 8.12 0.00 -1.26 -4.32 105.19 116.82 1tui n GLY 292 Ca -0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1tui n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 293 N -2.02 1.99 0.83 1.61 1.01 -1.26 -5.10 120.40 117.45 1tui s VAL 293 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1tui s VAL 293 Cb 0.00 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.65 1tui s VAL 293 CO 0.00 0.49 1.17 -0.94 0.00 0.00 0.00 175.10 175.83 1tui s SER 294 N 1.31 3.53 0.00 3.32 1.04 -1.26 -4.33 113.70 117.30 1tui s SER 294 Ca 0.04 2.25 0.16 0.00 0.48 0.00 0.00 55.95 58.88 1tui s SER 294 Cb -0.13 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.22 1tui s SER 294 CO -0.12 -2.70 1.45 -1.14 0.98 0.00 0.00 173.24 171.71 1tui n ARG 295 N -3.57 0.24 -0.10 4.02 0.63 -1.26 -2.14 116.66 114.48 1tui n ARG 295 Ca 0.12 0.13 -0.23 0.00 -0.92 0.00 0.00 57.85 56.96 1tui n ARG 295 Cb 0.51 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.81 1tui n ARG 295 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1tui n GLU 296 N -1.27 0.64 0.12 -0.14 4.71 -1.26 -4.29 120.64 119.14 1tui n GLU 296 Ca 0.08 0.27 0.06 0.00 -0.01 0.00 0.00 57.16 57.55 1tui n GLU 296 Cb 0.12 -1.58 0.30 0.00 -1.01 0.00 0.00 31.44 29.27 1tui n GLU 296 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1tui n GLU 297 N -3.77 0.07 -4.30 3.49 1.02 -0.91 -4.50 120.64 111.75 1tui n GLU 297 Ca -0.44 0.52 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 1tui n GLU 297 Cb 0.93 -1.94 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 1tui n GLU 297 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tui s VAL 298 N -3.18 0.67 0.13 2.62 1.01 -1.22 -4.95 120.40 115.47 1tui s VAL 298 Ca -0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1tui s VAL 298 Cb 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1tui s VAL 298 CO 0.10 0.23 0.29 -1.83 0.00 0.00 0.00 175.10 173.89 1tui s GLU 299 N 0.40 1.03 0.43 2.72 -1.05 -1.26 -4.90 118.70 116.07 1tui s GLU 299 Ca -0.06 -0.95 -0.25 0.00 -0.15 0.00 0.00 54.97 53.56 1tui s GLU 299 Cb -0.10 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.90 1tui s GLU 299 CO 0.00 -0.37 1.30 -2.13 0.95 0.00 0.00 175.26 175.01 1tui n ARG 300 N -0.17 1.96 0.00 -4.83 0.63 -1.26 -1.44 116.66 111.56 1tui n ARG 300 Ca -0.13 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1tui n ARG 300 Cb 0.63 -2.43 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1tui n ARG 300 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 301 N 0.77 2.89 3.91 5.14 0.00 -0.64 -4.97 105.19 112.30 1tui n GLY 301 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1tui n GLY 301 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tui s GLN 302 N -0.00 1.50 0.15 1.61 -0.21 -0.52 -4.78 119.66 117.40 1tui s GLN 302 Ca 0.00 -0.11 0.08 0.00 0.02 0.00 0.00 55.36 55.34 1tui s GLN 302 Cb 0.00 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 1tui s GLN 302 CO 0.00 -1.87 -0.17 0.14 -2.12 0.00 0.00 175.29 171.27 1tui s VAL 303 N -3.67 1.67 -0.08 1.09 -7.23 0.13 -0.16 120.40 112.16 1tui s VAL 303 Ca 0.66 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1tui s VAL 303 Cb -0.08 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1tui s VAL 303 CO 0.50 -0.32 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.17 1tui s LEU 304 N -2.52 3.29 0.21 1.32 1.43 0.84 0.43 118.68 123.68 1tui s LEU 304 Ca 0.13 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1tui s LEU 304 Cb -0.06 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1tui s LEU 304 CO 0.05 0.34 0.54 0.00 0.23 0.00 0.00 176.35 177.51 1tui s ALA 305 N -0.69 -0.88 0.07 4.21 0.00 0.95 0.26 121.76 125.69 1tui s ALA 305 Ca 0.11 -0.31 -0.35 0.00 0.00 0.00 0.00 51.96 51.41 1tui s ALA 305 Cb -0.11 0.88 -0.14 0.00 0.00 0.00 0.00 23.12 23.75 1tui s ALA 305 CO 0.02 -0.83 1.63 1.17 0.00 0.00 0.00 175.76 177.74 1tui n LYS 306 N -0.36 1.98 -1.60 0.00 3.00 0.52 -1.00 118.16 120.70 1tui n LYS 306 Ca -0.08 0.72 -0.48 0.00 -0.00 0.00 0.00 58.31 58.47 1tui n LYS 306 Cb 0.62 -2.49 -0.04 0.00 0.00 0.00 0.00 35.03 33.13 1tui n LYS 306 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1tui n PRO 307 N 4.16 1.41 -0.92 1.64 -0.02 -1.26 -0.59 135.00 139.41 1tui n PRO 307 Ca 0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1tui n PRO 307 Cb 0.27 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1tui n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tui n GLY 308 N 2.13 0.55 0.18 -1.23 0.00 -1.26 -4.88 105.19 100.67 1tui n GLY 308 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1tui n GLY 308 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tui h SER 309 N 0.00 0.00 -5.00 1.61 4.64 -1.18 -3.46 113.55 110.17 1tui h SER 309 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1tui h SER 309 Cb 0.13 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.03 1tui h SER 309 CO 0.00 0.16 -0.20 -0.51 -0.87 0.00 0.00 176.83 175.41 1tui s ILE 310 N -3.15 0.05 0.13 0.95 2.07 -1.26 -5.06 121.20 114.93 1tui s ILE 310 Ca 0.05 -0.42 0.07 0.00 -1.41 0.00 0.00 60.65 58.95 1tui s ILE 310 Cb 0.06 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1tui s ILE 310 CO 0.71 -0.23 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.45 1tui s THR 311 N -1.40 1.59 0.24 4.00 2.01 -1.26 -5.02 115.64 115.81 1tui s THR 311 Ca -0.13 -1.73 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 1tui s THR 311 Cb -0.04 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 1tui s THR 311 CO 0.05 -0.28 0.54 -2.16 -0.69 0.00 0.00 174.62 172.07 1tui s PRO 312 N -2.49 3.73 0.34 4.92 0.04 -1.26 -1.85 135.00 138.43 1tui s PRO 312 Ca 0.10 0.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 1tui s PRO 312 Cb -0.07 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1tui s PRO 312 CO 0.05 0.29 0.72 -1.01 0.04 0.00 0.00 177.00 177.08 1tui s HIS 313 N -1.90 0.11 0.00 0.56 3.76 0.28 -4.85 115.29 113.25 1tui s HIS 313 Ca 0.46 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1tui s HIS 313 Cb -0.11 0.67 0.00 0.00 1.11 0.00 0.00 32.58 34.25 1tui s HIS 313 CO 0.24 -1.38 0.00 0.25 -0.85 0.00 0.00 174.74 173.01 1tui n THR 314 N -0.50 0.00 -4.16 1.30 -2.24 -1.25 -0.42 114.28 107.01 1tui n THR 314 Ca -0.06 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1tui n THR 314 Cb 0.60 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.69 1tui n THR 314 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tui s LYS 315 N -0.90 3.75 0.17 -0.78 1.02 -1.26 -0.63 119.74 121.11 1tui s LYS 315 Ca 0.00 -0.46 -0.13 0.00 0.02 0.00 0.00 55.97 55.40 1tui s LYS 315 Cb 0.00 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1tui s LYS 315 CO 0.00 0.17 0.38 -0.59 -0.92 0.00 0.00 175.35 174.39 1tui s PHE 316 N 0.60 0.13 0.15 3.18 -0.71 -1.14 -1.50 117.98 118.69 1tui s PHE 316 Ca -0.00 -0.49 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 1tui s PHE 316 Cb -0.14 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1tui s PHE 316 CO 0.02 -0.78 0.23 -2.00 -1.34 0.00 0.00 175.22 171.35 1tui s GLU 317 N -3.91 3.25 -0.11 1.99 2.12 0.14 -1.68 118.70 120.50 1tui s GLU 317 Ca 0.12 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.57 1tui s GLU 317 Cb 0.02 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.60 1tui s GLU 317 CO -0.03 0.51 0.48 0.00 -0.54 0.00 0.00 175.26 175.68 1tui s ALA 318 N -1.73 -1.21 -0.21 6.30 0.00 -0.60 0.11 121.76 124.42 1tui s ALA 318 Ca 0.33 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1tui s ALA 318 Cb -0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1tui s ALA 318 CO 0.27 -0.27 0.18 0.45 0.00 0.00 0.00 175.76 176.39 1tui s SER 319 N -0.50 6.22 0.18 0.00 0.15 -0.91 -2.21 113.70 116.63 1tui s SER 319 Ca -0.06 0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.85 1tui s SER 319 Cb -0.03 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 1tui s SER 319 CO 0.04 0.11 -0.02 -0.69 1.20 0.00 0.00 173.24 173.87 1tui s VAL 320 N 0.72 0.86 -0.03 4.45 1.01 0.98 -0.23 120.40 128.16 1tui s VAL 320 Ca 0.10 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 60.08 1tui s VAL 320 Cb -0.12 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1tui s VAL 320 CO 0.02 -0.50 -0.04 -0.47 0.00 0.00 0.00 175.10 174.12 1tui s TYR 321 N -3.53 0.54 -0.18 5.22 5.04 -0.04 -1.04 117.35 123.35 1tui s TYR 321 Ca 0.23 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1tui s TYR 321 Cb 0.05 -0.47 -0.01 0.00 0.35 0.00 0.00 41.96 41.89 1tui s TYR 321 CO 0.04 -0.11 -0.10 0.42 -1.34 0.00 0.00 175.55 174.46 1tui s ILE 322 N 0.56 3.02 0.59 3.14 -1.09 0.49 -1.19 121.20 126.74 1tui s ILE 322 Ca -0.07 -0.64 -0.19 0.00 -2.23 0.00 0.00 60.65 57.53 1tui s ILE 322 Cb -0.10 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 1tui s ILE 322 CO -0.00 0.48 1.13 0.18 -1.23 0.00 0.00 174.94 175.50 1tui n LEU 323 N 4.29 4.64 -4.88 2.97 7.99 0.54 0.41 117.00 132.96 1tui n LEU 323 Ca -0.19 0.86 -0.29 0.00 -0.01 0.00 0.00 56.01 56.38 1tui n LEU 323 Cb 0.51 -1.47 0.13 0.00 -0.11 0.00 0.00 43.42 42.48 1tui n LEU 323 CO 0.29 -1.35 0.79 -0.54 -1.51 0.00 0.00 177.39 175.07 1tui s LYS 324 N -2.91 1.37 -0.06 3.23 1.02 -1.26 -2.88 119.74 118.25 1tui s LYS 324 Ca 0.76 0.01 -0.26 0.00 0.02 0.00 0.00 55.97 56.51 1tui s LYS 324 Cb -0.41 -1.89 -0.23 0.00 -0.52 0.00 0.00 37.83 34.78 1tui s LYS 324 CO 0.46 -1.98 1.04 -0.22 -0.92 0.00 0.00 175.35 173.73 1tui h LYS 325 N -1.34 0.09 -0.06 1.68 3.64 -1.79 -0.02 116.57 118.77 1tui h LYS 325 Ca -0.46 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1tui h LYS 325 Cb 1.31 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1tui h LYS 325 CO 0.57 0.81 0.33 1.49 -2.27 0.00 0.00 179.45 180.38 1tui h GLU 326 N -0.60 0.00 -0.68 1.90 4.81 -1.90 1.07 114.58 119.18 1tui h GLU 326 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1tui h GLU 326 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1tui h GLU 326 CO 0.02 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.69 1tui n GLU 327 N -3.04 2.75 -0.60 1.92 1.02 -0.92 -4.94 120.64 116.83 1tui n GLU 327 Ca -0.01 -2.49 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 1tui n GLU 327 Cb 0.39 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1tui n GLU 327 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tui n GLY 328 N 1.49 0.63 0.00 0.62 0.00 0.37 -4.77 105.19 103.53 1tui n GLY 328 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1tui n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tui n GLY 329 N -2.60 2.77 3.41 -0.02 0.00 -0.07 -4.81 105.19 103.87 1tui n GLY 329 Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1tui n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tui n ARG 330 N -0.10 -0.51 0.00 1.61 1.74 -1.26 -4.52 116.66 113.63 1tui n ARG 330 Ca 0.00 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1tui n ARG 330 Cb 0.00 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1tui n ARG 330 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1tui n HIS 331 N -3.76 0.00 -4.13 -1.55 1.44 -1.26 -3.70 115.22 102.26 1tui n HIS 331 Ca 0.06 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.67 1tui n HIS 331 Cb 0.55 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 1tui n HIS 331 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1tui s THR 332 N -0.17 0.57 0.00 0.61 -4.23 -1.26 -5.01 115.64 106.16 1tui s THR 332 Ca 0.00 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1tui s THR 332 Cb 0.00 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.44 1tui s THR 332 CO 0.00 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 1tui n GLY 333 N 0.32 -1.08 3.64 3.99 0.00 -1.26 -4.64 105.19 106.17 1tui n GLY 333 Ca -0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1tui n GLY 333 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tui s PHE 334 N -0.88 -0.02 0.31 1.61 -0.12 0.02 -4.91 117.98 113.98 1tui s PHE 334 Ca 0.00 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1tui s PHE 334 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1tui s PHE 334 CO 0.00 -1.03 0.04 1.19 -0.05 0.00 0.00 175.22 175.37 1tui n PHE 335 N -0.39 0.46 -2.30 3.49 3.72 -1.26 0.68 117.46 121.86 1tui n PHE 335 Ca -0.06 -1.49 -0.41 0.00 -0.05 0.00 0.00 57.45 55.44 1tui n PHE 335 Cb 0.61 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 1tui n PHE 335 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1tui s THR 336 N -2.03 3.13 0.00 4.37 2.01 -1.26 -1.52 115.64 120.34 1tui s THR 336 Ca 0.03 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1tui s THR 336 Cb -0.00 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1tui s THR 336 CO 0.02 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1tui n GLY 337 N 1.14 2.78 3.59 4.40 0.00 -0.15 -4.99 105.19 111.95 1tui n GLY 337 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 1tui n GLY 337 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1tui n TYR 338 N -0.92 1.45 -3.17 1.61 9.36 -0.58 -4.62 117.16 120.29 1tui n TYR 338 Ca 0.00 0.64 -0.20 0.00 3.32 0.00 0.00 57.90 61.66 1tui n TYR 338 Cb 0.00 -2.32 -0.04 0.00 -0.63 0.00 0.00 39.34 36.36 1tui n TYR 338 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1tui n ARG 339 N 2.08 1.15 0.00 2.98 0.63 -1.26 0.61 116.66 122.85 1tui n ARG 339 Ca 0.16 -3.50 0.00 0.00 -0.92 0.00 0.00 57.85 53.59 1tui n ARG 339 Cb 0.23 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1tui n ARG 339 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1tui n PRO 340 N 0.45 0.62 -4.49 -0.14 -0.04 -1.16 -4.55 135.00 125.69 1tui n PRO 340 Ca 0.25 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 1tui n PRO 340 Cb 0.61 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.95 1tui n PRO 340 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1tui s GLN 341 N -0.68 3.53 -0.36 0.54 -1.52 -1.04 -1.77 119.66 118.36 1tui s GLN 341 Ca 0.00 -0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 52.75 1tui s GLN 341 Cb 0.00 -2.83 0.02 0.00 -0.22 0.00 0.00 33.01 29.98 1tui s GLN 341 CO 0.00 0.29 0.20 -0.06 -0.25 0.00 0.00 175.29 175.46 1tui s PHE 342 N 0.22 3.23 -0.80 0.91 0.40 0.40 -0.73 117.98 121.62 1tui s PHE 342 Ca -0.04 -0.88 -0.20 0.00 -0.60 0.00 0.00 56.93 55.22 1tui s PHE 342 Cb -0.14 -2.42 0.11 0.00 0.51 0.00 0.00 43.02 41.08 1tui s PHE 342 CO 0.03 -0.61 1.01 -0.47 0.70 0.00 0.00 175.22 175.89 1tui s TYR 343 N 1.57 3.00 -0.47 0.36 5.04 0.19 -0.40 117.35 126.64 1tui s TYR 343 Ca 0.03 -1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 53.34 1tui s TYR 343 Cb -0.19 -4.23 0.04 0.00 0.35 0.00 0.00 41.96 37.93 1tui s TYR 343 CO 0.07 -1.49 0.64 -0.06 -1.34 0.00 0.00 175.55 173.36 1tui s PHE 344 N 2.98 3.05 0.00 4.97 0.08 -0.25 -2.53 117.98 126.28 1tui s PHE 344 Ca 0.26 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1tui s PHE 344 Cb -0.11 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 1tui s PHE 344 CO -0.02 -0.94 0.00 0.54 -0.10 0.00 0.00 175.22 174.70 1tui n ARG 345 N 6.26 0.00 0.00 0.44 1.74 -1.26 -2.67 116.66 121.16 1tui n ARG 345 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1tui n ARG 345 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1tui n ARG 345 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1tui n THR 346 N 0.00 0.00 -4.13 0.55 -2.24 -1.26 -5.08 114.28 102.11 1tui n THR 346 Ca 0.00 -0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1tui n THR 346 Cb 0.00 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1tui n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1tui s THR 347 N -1.55 0.37 0.25 4.28 -4.23 -1.09 -4.89 115.64 108.78 1tui s THR 347 Ca 0.00 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.34 1tui s THR 347 Cb 0.00 -1.70 -0.09 0.00 1.34 0.00 0.00 72.50 72.04 1tui s THR 347 CO 0.00 -0.83 1.14 -1.81 -0.54 0.00 0.00 174.62 172.58 1tui s ASP 348 N -3.00 7.18 -0.03 3.99 1.01 -1.26 -1.09 116.67 123.47 1tui s ASP 348 Ca 0.13 2.29 -0.00 0.00 0.71 0.00 0.00 52.55 55.67 1tui s ASP 348 Cb 0.07 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.41 1tui s ASP 348 CO -0.05 -0.24 0.03 -0.69 0.21 0.00 0.00 175.17 174.42 1tui s VAL 349 N -0.82 0.01 0.57 -1.27 1.01 0.47 -4.88 120.40 115.48 1tui s VAL 349 Ca 0.47 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 1tui s VAL 349 Cb -0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1tui s VAL 349 CO 0.41 0.13 1.14 -0.89 0.00 0.00 0.00 175.10 175.89 1tui s THR 350 N 1.32 3.07 0.01 3.92 2.01 -1.26 0.15 115.64 124.86 1tui s THR 350 Ca -0.06 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 1tui s THR 350 Cb -0.13 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.20 1tui s THR 350 CO -0.03 -0.17 0.55 -0.83 -0.69 0.00 0.00 174.62 173.45 1tui s GLY 351 N -1.86 -0.45 -0.10 4.40 0.00 -0.73 -1.75 107.32 106.83 1tui s GLY 351 Ca 0.73 0.82 -0.02 0.00 0.00 0.00 0.00 44.72 46.26 1tui s GLY 351 CO 0.30 0.51 -0.03 0.14 0.00 0.00 0.00 173.10 174.02 1tui s VAL 352 N -1.85 3.99 0.18 1.40 1.01 -0.44 -3.01 120.40 121.68 1tui s VAL 352 Ca -0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1tui s VAL 352 Cb -0.01 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1tui s VAL 352 CO 0.03 0.57 0.50 -0.69 0.00 0.00 0.00 175.10 175.51 1tui s VAL 353 N -0.45 4.98 -0.20 2.92 1.01 0.20 -1.37 120.40 127.49 1tui s VAL 353 Ca 0.07 0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1tui s VAL 353 Cb -0.12 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1tui s VAL 353 CO 0.02 0.06 0.05 -0.60 0.00 0.00 0.00 175.10 174.63 1tui s ARG 354 N -2.50 0.58 0.38 2.72 3.52 0.43 -0.98 118.95 123.10 1tui s ARG 354 Ca 0.42 -0.44 -0.27 0.00 -0.13 0.00 0.00 55.73 55.31 1tui s ARG 354 Cb -0.12 -2.04 -0.10 0.00 -1.56 0.00 0.00 34.95 31.13 1tui s ARG 354 CO 0.21 -0.68 1.35 -0.51 -0.81 0.00 0.00 175.30 174.86 1tui s LEU 355 N 1.88 4.29 0.77 -0.88 1.43 -1.26 -2.26 118.68 122.64 1tui s LEU 355 Ca 0.00 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 1tui s LEU 355 Cb -0.17 -3.79 0.05 0.00 0.03 0.00 0.00 46.19 42.32 1tui s LEU 355 CO -0.10 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 174.61 1tui s PRO 356 N -2.10 2.30 0.25 1.29 0.04 -1.26 -4.90 135.00 130.61 1tui s PRO 356 Ca 0.54 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 1tui s PRO 356 Cb -0.41 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.07 1tui s PRO 356 CO 0.54 -1.48 1.53 1.04 0.04 0.00 0.00 177.00 178.66 1tui n GLN 357 N -3.35 2.35 0.00 4.56 3.00 -1.26 0.55 117.38 123.24 1tui n GLN 357 Ca 0.07 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 1tui n GLN 357 Cb 0.56 -2.57 0.00 0.00 0.00 0.00 0.00 30.24 28.22 1tui n GLN 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tui n GLY 358 N 2.49 2.69 3.61 1.08 0.00 -1.26 -5.01 105.19 108.79 1tui n GLY 358 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1tui n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 359 N -2.70 4.53 -0.02 1.61 1.01 0.19 -4.98 120.40 120.05 1tui s VAL 359 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1tui s VAL 359 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1tui s VAL 359 CO 0.00 0.49 -0.01 -0.62 0.00 0.00 0.00 175.10 174.96 1tui n GLU 360 N 3.38 2.00 -3.74 2.72 1.02 -1.26 -4.54 120.64 120.22 1tui n GLU 360 Ca -0.17 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.85 1tui n GLU 360 Cb 0.52 -1.04 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 1tui n GLU 360 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1tui s MET 361 N -2.04 0.23 -0.04 3.49 0.00 -1.26 -4.44 119.30 115.25 1tui s MET 361 Ca -0.02 0.49 -0.09 0.00 0.00 0.00 0.00 55.69 56.08 1tui s MET 361 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 34.83 34.73 1tui s MET 361 CO 0.05 -0.13 0.27 0.08 0.00 0.00 0.00 175.02 175.29 1tui s VAL 362 N 0.99 5.28 0.20 10.11 1.01 0.21 -4.84 120.40 133.37 1tui s VAL 362 Ca -0.07 0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.42 1tui s VAL 362 Cb -0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1tui s VAL 362 CO -0.07 0.52 -0.16 -0.04 0.00 0.00 0.00 175.10 175.36 1tui s MET 363 N -1.30 1.83 0.00 2.72 -1.94 -1.26 -0.80 119.30 118.55 1tui s MET 363 Ca 0.22 -1.44 -0.37 0.00 -1.71 0.00 0.00 55.69 52.39 1tui s MET 363 Cb -0.14 -1.99 -0.16 0.00 2.01 0.00 0.00 34.83 34.54 1tui s MET 363 CO 0.11 0.40 1.45 -2.30 -0.01 0.00 0.00 175.02 174.68 1tui n PRO 364 N -0.02 1.20 0.00 2.03 -0.02 -1.26 0.69 135.00 137.63 1tui n PRO 364 Ca -0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1tui n PRO 364 Cb 0.56 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1tui n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tui n GLY 365 N 2.97 3.41 3.72 -1.23 0.00 0.16 -4.77 105.19 109.45 1tui n GLY 365 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1tui n GLY 365 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 366 N -0.97 3.76 -0.02 1.61 1.11 0.22 -4.61 116.67 117.76 1tui s ASP 366 Ca 0.00 1.77 0.00 0.00 0.18 0.00 0.00 52.55 54.50 1tui s ASP 366 Cb 0.00 -2.42 0.03 0.00 1.07 0.00 0.00 42.92 41.60 1tui s ASP 366 CO 0.00 -2.50 0.02 0.54 1.18 0.00 0.00 175.17 174.41 1tui s ASN 367 N -3.24 0.27 0.07 0.27 4.22 -1.26 -0.38 114.94 114.89 1tui s ASN 367 Ca 0.63 0.02 -0.02 0.00 -2.14 0.00 0.00 52.86 51.35 1tui s ASN 367 Cb -0.19 -0.13 0.01 0.00 1.28 0.00 0.00 41.25 42.22 1tui s ASN 367 CO 0.57 -0.13 0.13 1.33 -2.04 0.00 0.00 177.10 176.96 1tui n VAL 368 N 4.23 0.00 -3.88 3.54 0.24 -0.21 -4.97 118.33 117.29 1tui n VAL 368 Ca -0.26 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 61.59 1tui n VAL 368 Cb 0.50 0.20 -0.17 0.00 -1.47 0.00 0.00 33.84 32.91 1tui n VAL 368 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1tui s THR 369 N -2.69 0.20 0.25 3.34 2.01 -1.26 -0.01 115.64 117.47 1tui s THR 369 Ca 0.04 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1tui s THR 369 Cb -0.01 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1tui s THR 369 CO 0.03 0.17 0.41 2.22 -0.69 0.00 0.00 174.62 176.77 1tui n PHE 370 N 4.45 -1.46 -4.28 4.92 1.16 -0.94 -4.40 117.46 116.91 1tui n PHE 370 Ca -0.20 -1.42 -0.23 0.00 -1.87 0.00 0.00 57.45 53.72 1tui n PHE 370 Cb 0.50 0.48 -0.07 0.00 -1.61 0.00 0.00 39.48 38.77 1tui n PHE 370 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1tui s THR 371 N -2.57 3.20 0.11 1.97 -4.23 -0.96 -1.56 115.64 111.62 1tui s THR 371 Ca 0.16 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1tui s THR 371 Cb -0.02 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1tui s THR 371 CO 0.11 -0.32 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.14 1tui s VAL 372 N -2.38 0.63 -0.17 2.29 1.01 -0.68 -0.43 120.40 120.67 1tui s VAL 372 Ca 0.33 -1.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 1tui s VAL 372 Cb -0.05 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.62 1tui s VAL 372 CO 0.20 -0.77 0.28 -0.70 0.00 0.00 0.00 175.10 174.11 1tui s GLU 373 N -3.87 0.20 0.37 2.72 2.12 -0.47 -2.89 118.70 116.87 1tui s GLU 373 Ca 0.15 0.60 -0.17 0.00 0.36 0.00 0.00 54.97 55.91 1tui s GLU 373 Cb 0.06 -0.37 -0.10 0.00 0.26 0.00 0.00 34.13 33.98 1tui s GLU 373 CO -0.03 -0.43 0.82 -0.51 -0.54 0.00 0.00 175.26 174.58 1tui s LEU 374 N 2.43 4.01 0.13 2.70 1.43 0.20 -1.32 118.68 128.26 1tui s LEU 374 Ca 0.04 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 1tui s LEU 374 Cb -0.13 -4.26 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1tui s LEU 374 CO -0.11 -0.27 1.54 0.40 0.23 0.00 0.00 176.35 178.14 1tui h ILE 375 N 1.92 1.27 -2.61 -0.59 5.03 -1.69 -3.45 117.51 117.40 1tui h ILE 375 Ca -0.48 -1.22 -0.50 0.00 -0.12 0.00 0.00 64.86 62.54 1tui h ILE 375 Cb 1.18 1.20 -0.14 0.00 -3.03 0.00 0.00 36.82 36.03 1tui h ILE 375 CO 0.64 0.41 -0.67 -1.59 -0.68 0.00 0.00 178.15 176.26 1tui s LYS 376 N -4.77 1.58 0.82 2.37 -2.85 -1.26 -5.10 119.74 110.52 1tui s LYS 376 Ca -0.12 -1.81 -0.11 0.00 -1.00 0.00 0.00 55.97 52.93 1tui s LYS 376 Cb 0.11 -1.17 0.09 0.00 -2.06 0.00 0.00 37.83 34.80 1tui s LYS 376 CO 0.83 0.02 1.09 -2.14 0.10 0.00 0.00 175.35 175.25 1tui s PRO 377 N -3.73 1.86 -0.02 1.78 0.02 -1.26 -4.79 135.00 128.86 1tui s PRO 377 Ca 0.30 0.78 -0.16 0.00 0.02 0.00 0.00 61.00 61.94 1tui s PRO 377 Cb 0.04 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.71 1tui s PRO 377 CO 0.12 -1.81 0.35 0.08 -0.33 0.00 0.00 177.00 175.41 1tui s VAL 378 N -3.04 0.05 -0.63 3.83 1.01 0.44 -0.76 120.40 121.30 1tui s VAL 378 Ca 0.62 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1tui s VAL 378 Cb -0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1tui s VAL 378 CO 0.55 -0.23 1.67 0.00 0.00 0.00 0.00 175.10 177.09 1tui s ALA 379 N -1.31 2.39 0.10 5.51 0.00 -1.26 -0.55 121.76 126.65 1tui s ALA 379 Ca -0.13 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.11 1tui s ALA 379 Cb -0.05 -4.27 -0.04 0.00 0.00 0.00 0.00 23.12 18.77 1tui s ALA 379 CO 0.05 -3.62 -0.20 -0.51 0.00 0.00 0.00 175.76 171.47 1tui s LEU 380 N 7.91 2.58 0.03 0.00 1.43 -0.77 -4.98 118.68 124.87 1tui s LEU 380 Ca 0.58 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1tui s LEU 380 Cb -0.12 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1tui s LEU 380 CO 0.20 0.19 0.28 -1.61 0.23 0.00 0.00 176.35 175.65 1tui s GLU 381 N -1.97 0.74 0.35 1.70 2.02 -1.26 -4.30 118.70 115.98 1tui s GLU 381 Ca 0.16 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 1tui s GLU 381 Cb -0.10 0.32 -0.11 0.00 0.10 0.00 0.00 34.13 34.33 1tui s GLU 381 CO 0.08 -0.22 1.52 0.39 0.02 0.00 0.00 175.26 177.05 1tui n GLU 382 N 0.82 2.66 0.00 1.61 1.02 -1.26 -0.17 120.64 125.32 1tui n GLU 382 Ca -0.20 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1tui n GLU 382 Cb 0.58 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1tui n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tui n GLY 383 N 1.08 2.88 3.68 0.62 0.00 0.14 -4.98 105.19 108.62 1tui n GLY 383 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 1tui n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tui n LEU 384 N 0.00 2.66 -4.92 0.99 7.94 0.76 -4.53 117.00 119.91 1tui n LEU 384 Ca 0.00 1.00 -0.27 0.00 -1.11 0.00 0.00 56.01 55.63 1tui n LEU 384 Cb 0.00 -1.21 -0.02 0.00 0.53 0.00 0.00 43.42 42.72 1tui n LEU 384 CO 0.00 -0.34 0.26 -0.60 -1.11 0.00 0.00 177.39 175.60 1tui s ARG 385 N 3.92 3.56 0.22 1.96 3.52 -1.26 0.62 118.95 131.50 1tui s ARG 385 Ca 0.98 -0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 56.29 1tui s ARG 385 Cb -0.96 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1tui s ARG 385 CO 0.61 0.08 0.83 -0.59 -0.81 0.00 0.00 175.30 175.43 1tui s PHE 386 N -2.33 -0.16 0.12 5.12 -0.12 -0.85 -4.66 117.98 115.09 1tui s PHE 386 Ca 0.44 -0.22 0.09 0.00 -0.05 0.00 0.00 56.93 57.18 1tui s PHE 386 Cb -0.10 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1tui s PHE 386 CO 0.36 -1.04 -0.22 0.00 -0.05 0.00 0.00 175.22 174.27 1tui s ALA 387 N -3.62 1.98 -0.25 1.99 0.00 -1.05 -1.93 121.76 118.88 1tui s ALA 387 Ca 0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1tui s ALA 387 Cb -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1tui s ALA 387 CO 0.05 0.38 -0.02 0.42 0.00 0.00 0.00 175.76 176.59 1tui s ILE 388 N -1.28 3.23 0.20 0.00 1.01 -0.33 0.52 121.20 124.55 1tui s ILE 388 Ca 0.10 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.02 1tui s ILE 388 Cb -0.09 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1tui s ILE 388 CO 0.05 0.21 -0.23 -0.13 0.00 0.00 0.00 174.94 174.85 1tui s ARG 389 N 1.40 1.51 -0.20 2.79 0.52 0.09 0.19 118.95 125.25 1tui s ARG 389 Ca 0.02 -1.55 -0.01 0.00 -0.52 0.00 0.00 55.73 53.67 1tui s ARG 389 Cb -0.16 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.58 1tui s ARG 389 CO -0.03 0.38 -0.01 -1.21 0.02 0.00 0.00 175.30 174.45 1tui s GLU 390 N -2.79 1.12 -1.39 3.54 2.02 0.18 -2.49 118.70 118.88 1tui s GLU 390 Ca 0.21 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.53 1tui s GLU 390 Cb -0.07 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.96 1tui s GLU 390 CO 0.10 -0.58 0.84 0.41 0.02 0.00 0.00 175.26 176.05 1tui n GLY 391 N 4.89 -0.38 2.35 -1.39 0.00 -1.26 -1.14 105.19 108.26 1tui n GLY 391 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1tui n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tui n GLY 392 N -1.64 2.72 3.78 -0.02 0.00 -1.26 -5.00 105.19 103.77 1tui n GLY 392 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1tui n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tui s ARG 393 N -0.01 4.20 -0.17 1.61 0.52 -0.29 -4.99 118.95 119.82 1tui s ARG 393 Ca 0.00 1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 56.49 1tui s ARG 393 Cb 0.00 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1tui s ARG 393 CO 0.00 -0.10 0.62 0.99 0.02 0.00 0.00 175.30 176.82 1tui s THR 394 N -1.67 5.05 -0.37 0.02 2.01 -1.26 0.47 115.64 119.88 1tui s THR 394 Ca 0.57 1.18 0.10 0.00 0.31 0.00 0.00 61.69 63.86 1tui s THR 394 Cb -0.21 -3.94 -0.12 0.00 0.01 0.00 0.00 72.50 68.24 1tui s THR 394 CO 0.27 0.16 0.39 1.33 -0.69 0.00 0.00 174.62 176.07 1tui n VAL 395 N 4.44 0.00 -3.81 3.82 0.24 0.50 -4.55 118.33 118.97 1tui n VAL 395 Ca -0.02 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.97 1tui n VAL 395 Cb 0.50 0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 1tui n VAL 395 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tui s GLY 396 N -2.24 -0.08 -0.02 7.63 0.00 -0.91 -0.34 107.32 111.36 1tui s GLY 396 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1tui s GLY 396 CO 0.42 0.23 0.05 0.00 0.00 0.00 0.00 173.10 173.80 1tui s ALA 397 N -3.22 -0.06 0.16 3.20 0.00 -0.33 -1.18 121.76 120.33 1tui s ALA 397 Ca 0.13 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1tui s ALA 397 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1tui s ALA 397 CO 0.05 -0.06 0.16 0.41 0.00 0.00 0.00 175.76 176.32 1tui n GLY 398 N 3.56 3.22 2.89 0.00 0.00 -0.81 -0.86 105.19 113.18 1tui n GLY 398 Ca -0.19 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 1tui n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 399 N -2.62 0.25 -0.02 1.61 1.01 0.67 -2.02 120.40 119.28 1tui s VAL 399 Ca 0.17 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1tui s VAL 399 Cb 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1tui s VAL 399 CO 0.12 0.11 1.46 -0.69 0.00 0.00 0.00 175.10 176.09 1tui s VAL 400 N 0.36 3.68 -0.02 2.92 1.01 0.20 -2.14 120.40 126.42 1tui s VAL 400 Ca -0.03 1.01 0.12 0.00 0.00 0.00 0.00 61.98 63.07 1tui s VAL 400 Cb -0.06 -3.65 -0.18 0.00 0.00 0.00 0.00 36.38 32.49 1tui s VAL 400 CO -0.01 -0.03 0.25 0.35 0.00 0.00 0.00 175.10 175.67 1tui n THR 401 N 4.89 0.01 -3.51 3.92 -2.24 0.12 0.28 114.28 117.74 1tui n THR 401 Ca 0.14 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1tui n THR 401 Cb 0.43 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1tui n THR 401 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1tui s LYS 402 N -2.80 1.05 -0.12 -0.78 2.20 -1.03 -4.90 119.74 113.36 1tui s LYS 402 Ca -0.04 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.65 1tui s LYS 402 Cb 0.07 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 1tui s LYS 402 CO 0.48 -0.35 0.07 0.42 -0.36 0.00 0.00 175.35 175.60 1tui s ILE 403 N -1.61 4.87 -0.13 5.43 -1.09 -1.26 0.26 121.20 127.67 1tui s ILE 403 Ca -0.08 -0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1tui s ILE 403 Cb -0.00 -3.11 -0.07 0.00 -1.58 0.00 0.00 42.46 37.70 1tui s ILE 403 CO 0.05 0.58 0.17 0.18 -1.23 0.00 0.00 174.94 174.69 1tui n LEU 404 N 2.38 0.13 0.00 2.97 4.77 -0.56 -4.93 117.00 121.75 1tui n LEU 404 Ca -0.19 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1tui n LEU 404 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1tui n LEU 404 CO 0.31 0.03 0.00 -0.62 -1.33 0.00 0.00 177.39 175.78