#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti6 s GLU 2 N 0.00 4.24 0.31 2.12 2.12 -1.26 -4.88 118.70 121.35 1ti6 s GLU 2 Ca 0.00 2.01 0.11 0.00 0.36 0.00 0.00 54.97 57.45 1ti6 s GLU 2 Cb 0.00 -2.91 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 1ti6 s GLU 2 CO 0.00 -0.21 -0.15 -0.65 -0.54 0.00 0.00 175.26 173.71 1ti6 s GLN 3 N -1.97 1.72 0.17 4.30 -0.21 0.03 -4.51 119.66 119.19 1ti6 s GLN 3 Ca 0.52 -1.84 -0.13 0.00 0.02 0.00 0.00 55.36 53.93 1ti6 s GLN 3 Cb -0.35 -1.69 -0.07 0.00 1.00 0.00 0.00 33.01 31.89 1ti6 s GLN 3 CO 0.45 0.23 0.55 0.71 -2.12 0.00 0.00 175.29 175.11 1ti6 s TYR 4 N -2.59 3.55 0.02 0.91 1.51 -0.43 -0.78 117.35 119.54 1ti6 s TYR 4 Ca 0.31 1.00 -0.11 0.00 -1.01 0.00 0.00 57.07 57.26 1ti6 s TYR 4 Cb -0.01 -2.34 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1ti6 s TYR 4 CO 0.15 0.38 0.23 0.71 -1.11 0.00 0.00 175.55 175.91 1ti6 s TYR 5 N -1.58 -0.02 -0.02 2.71 1.51 0.65 -4.91 117.35 115.69 1ti6 s TYR 5 Ca 0.41 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1ti6 s TYR 5 Cb -0.14 0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.73 1ti6 s TYR 5 CO 0.20 -0.41 -0.07 1.41 -1.11 0.00 0.00 175.55 175.57 1ti6 s MET 6 N -2.08 0.75 -0.14 -0.62 1.75 -0.91 -1.19 119.30 116.86 1ti6 s MET 6 Ca -0.09 -0.22 0.02 0.00 -1.25 0.00 0.00 55.69 54.15 1ti6 s MET 6 Cb -0.03 -0.73 0.01 0.00 2.84 0.00 0.00 34.83 36.92 1ti6 s MET 6 CO -0.01 0.07 -0.21 0.08 -0.65 0.00 0.00 175.02 174.30 1ti6 s VAL 7 N 0.25 2.13 -0.19 10.11 1.01 0.03 -0.05 120.40 133.69 1ti6 s VAL 7 Ca -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1ti6 s VAL 7 Cb -0.08 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1ti6 s VAL 7 CO 0.00 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.91 1ti6 s ILE 8 N 0.80 2.92 -0.53 2.22 1.01 0.10 -1.15 121.20 126.57 1ti6 s ILE 8 Ca -0.07 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1ti6 s ILE 8 Cb -0.16 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.09 1ti6 s ILE 8 CO -0.01 0.47 0.72 -0.62 0.00 0.00 0.00 174.94 175.51 1ti6 s ASP 9 N 1.24 6.24 0.29 3.58 -1.08 -0.59 -0.48 116.67 125.88 1ti6 s ASP 9 Ca 0.03 -0.83 -0.01 0.00 -0.52 0.00 0.00 52.55 51.21 1ti6 s ASP 9 Cb -0.14 -2.33 0.45 0.00 -1.46 0.00 0.00 42.92 39.44 1ti6 s ASP 9 CO -0.05 -1.02 1.93 0.58 0.52 0.00 0.00 175.17 177.13 1ti6 h VAL 10 N 5.91 1.14 0.00 1.11 2.07 -1.52 -1.76 116.25 123.20 1ti6 h VAL 10 Ca -0.27 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ti6 h VAL 10 Cb 1.09 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1ti6 h VAL 10 CO 1.02 0.21 0.00 0.00 0.02 0.00 0.00 177.57 178.81 1ti6 h ALA 11 N 1.47 1.00 -0.02 1.67 0.00 -1.79 -2.24 119.26 119.36 1ti6 h ALA 11 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ti6 h ALA 11 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ti6 h ALA 11 CO -0.12 0.00 -0.28 1.63 0.00 0.00 0.00 179.25 180.48 1ti6 n LYS 12 N -2.46 1.57 -2.44 0.00 5.02 -0.66 -4.97 118.16 114.22 1ti6 n LYS 12 Ca -0.01 -1.11 -0.41 0.00 -2.02 0.00 0.00 58.31 54.76 1ti6 n LYS 12 Cb 0.10 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1ti6 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ti6 n GLN 14 N 2.52 -0.78 -3.03 0.00 10.64 -1.26 -4.64 117.38 120.83 1ti6 n GLN 14 Ca 0.04 -0.59 -0.18 0.00 -1.83 0.00 0.00 57.00 54.44 1ti6 n GLN 14 Cb 0.45 -1.03 0.04 0.00 -0.86 0.00 0.00 30.24 28.84 1ti6 n GLN 14 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ti6 n ASP 15 N 0.09 -5.24 0.15 2.61 4.64 -1.26 -4.89 116.55 112.66 1ti6 n ASP 15 Ca 0.01 -0.29 0.13 0.00 -1.38 0.00 0.00 54.79 53.26 1ti6 n ASP 15 Cb 0.04 -4.00 0.45 0.00 -1.04 0.00 0.00 41.12 36.57 1ti6 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ti6 n ASN 17 N -2.48 -4.28 0.03 0.00 3.02 -1.26 -4.91 115.26 105.38 1ti6 n ASN 17 Ca 0.03 0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.86 1ti6 n ASN 17 Cb 0.35 -2.96 0.45 0.00 -0.61 0.00 0.00 39.78 37.01 1ti6 n ASN 17 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1ti6 h ASN 18 N 0.00 0.41 0.07 6.41 4.21 -1.91 -1.66 115.58 123.12 1ti6 h ASN 18 Ca -0.25 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.25 1ti6 h ASN 18 Cb 0.86 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1ti6 h ASN 18 CO 0.35 0.30 -0.04 0.00 -1.29 0.00 0.00 177.43 176.74 1ti6 h PHE 20 N -0.11 -0.40 -0.14 0.00 3.57 -1.86 1.12 116.94 119.12 1ti6 h PHE 20 Ca -0.01 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1ti6 h PHE 20 Cb 0.08 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1ti6 h PHE 20 CO 0.14 -0.35 -0.09 1.98 -2.23 0.00 0.00 178.31 177.77 1ti6 h MET 21 N 0.01 0.22 -0.55 1.11 4.05 -1.28 -1.99 114.93 116.49 1ti6 h MET 21 Ca 0.40 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.70 1ti6 h MET 21 Cb 0.62 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1ti6 h MET 21 CO -0.83 0.32 0.04 0.78 0.23 0.00 0.00 176.91 177.45 1ti6 h GLY 22 N 0.64 1.01 0.97 1.39 0.00 0.27 -0.19 103.07 107.16 1ti6 h GLY 22 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1ti6 h GLY 22 CO 0.02 0.66 -0.22 0.00 0.00 0.00 0.00 176.54 176.99 1ti6 h MET 24 N -0.65 0.51 -0.98 0.00 2.86 -1.44 1.08 114.93 116.30 1ti6 h MET 24 Ca -0.06 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1ti6 h MET 24 Cb 0.49 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1ti6 h MET 24 CO 0.10 0.34 0.64 0.22 1.06 0.00 0.00 176.91 179.28 1ti6 h ASP 25 N 0.53 1.09 0.77 1.22 -0.00 -0.77 0.87 116.42 120.13 1ti6 h ASP 25 Ca 0.39 -0.02 -0.25 0.00 -0.00 0.00 0.00 57.03 57.15 1ti6 h ASP 25 Cb 0.53 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1ti6 h ASP 25 CO -0.34 0.77 -1.18 -0.08 -0.00 0.00 0.00 179.24 178.40 1ti6 h GLU 26 N 1.28 0.14 0.00 0.28 4.57 0.44 -3.42 114.58 117.87 1ti6 h GLU 26 Ca 0.38 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1ti6 h GLU 26 Cb -0.07 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1ti6 h GLU 26 CO -0.10 1.09 -1.23 0.72 -1.18 0.00 0.00 179.01 178.30 1ti6 n HIS 27 N -3.43 0.00 -0.13 0.92 8.25 0.35 -4.39 115.22 116.79 1ti6 n HIS 27 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 1ti6 n HIS 27 Cb 0.99 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 1ti6 n HIS 27 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ti6 h GLU 28 N 0.00 0.67 -0.02 -0.41 4.22 -0.98 0.14 114.58 118.19 1ti6 h GLU 28 Ca -0.02 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1ti6 h GLU 28 Cb 0.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ti6 h GLU 28 CO 0.00 0.75 -0.07 1.28 -2.18 0.00 0.00 179.01 178.79 1ti6 n LEU 29 N -4.49 2.40 -4.50 1.64 4.77 -1.26 -4.24 117.00 111.32 1ti6 n LEU 29 Ca -0.01 -0.95 -0.29 0.00 -0.03 0.00 0.00 56.01 54.73 1ti6 n LEU 29 Cb 0.26 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1ti6 n LEU 29 CO 0.40 0.42 -0.48 0.20 -1.33 0.00 0.00 177.39 176.60 1ti6 s ASN 30 N -1.67 3.91 -0.06 -1.43 0.01 -1.24 -5.07 114.94 109.40 1ti6 s ASN 30 Ca 0.20 -0.59 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 1ti6 s ASN 30 Cb 0.15 -0.55 -0.02 0.00 0.41 0.00 0.00 41.25 41.25 1ti6 s ASN 30 CO 0.28 0.16 -0.22 -1.61 -1.51 0.00 0.00 177.10 174.20 1ti6 s GLU 31 N -2.31 2.58 -0.51 -0.60 2.02 -1.26 -3.80 118.70 114.81 1ti6 s GLU 31 Ca 0.19 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.38 1ti6 s GLU 31 Cb -0.10 -2.24 0.13 0.00 0.10 0.00 0.00 34.13 32.02 1ti6 s GLU 31 CO 0.11 0.44 0.26 -1.58 0.02 0.00 0.00 175.26 174.51 1ti6 s TRP 32 N -0.28 3.06 -0.18 1.61 0.52 -0.40 -5.00 118.94 118.27 1ti6 s TRP 32 Ca 0.00 -3.10 -0.40 0.00 0.02 0.00 0.00 56.10 52.62 1ti6 s TRP 32 Cb -0.13 -2.72 -0.17 0.00 -1.15 0.00 0.00 33.47 29.30 1ti6 s TRP 32 CO 0.03 -0.74 1.52 -2.30 0.02 0.00 0.00 176.95 175.47 1ti6 n PRO 33 N 3.14 0.81 0.00 4.98 -0.02 -1.26 -0.70 135.00 141.94 1ti6 n PRO 33 Ca 0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1ti6 n PRO 33 Cb 0.32 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1ti6 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 34 N 3.34 2.90 0.91 -1.23 0.00 -1.26 -4.84 105.19 105.01 1ti6 n GLY 34 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1ti6 n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ti6 n TYR 35 N -2.00 0.00 -3.55 1.61 4.02 0.12 -4.80 117.16 112.55 1ti6 n TYR 35 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1ti6 n TYR 35 Cb 0.00 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.18 1ti6 n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1ti6 s THR 36 N -2.08 0.00 0.75 -0.72 -1.32 -0.74 -4.51 115.64 107.02 1ti6 s THR 36 Ca -0.04 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.33 1ti6 s THR 36 Cb 0.01 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.17 1ti6 s THR 36 CO 0.06 0.00 1.03 0.00 -2.21 0.00 0.00 174.62 173.49 1ti6 n ALA 37 N 0.51 -0.92 -1.76 11.08 0.00 -1.26 -1.28 120.51 126.88 1ti6 n ALA 37 Ca -0.11 -1.46 -0.36 0.00 0.00 0.00 0.00 53.44 51.51 1ti6 n ALA 37 Cb 0.59 0.01 0.02 0.00 0.00 0.00 0.00 19.45 20.06 1ti6 n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ti6 s SER 38 N -4.83 5.54 0.56 0.00 1.04 -1.25 -4.71 113.70 110.05 1ti6 s SER 38 Ca 0.60 2.38 -0.18 0.00 0.48 0.00 0.00 55.95 59.22 1ti6 s SER 38 Cb -0.02 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 1ti6 s SER 38 CO 0.42 -1.36 1.09 -0.32 0.98 0.00 0.00 173.24 174.05 1ti6 s MET 39 N -3.12 3.37 -0.13 4.02 1.75 0.48 -4.96 119.30 120.72 1ti6 s MET 39 Ca 0.72 1.43 -0.16 0.00 -1.25 0.00 0.00 55.69 56.43 1ti6 s MET 39 Cb -0.30 -2.02 -0.04 0.00 2.84 0.00 0.00 34.83 35.30 1ti6 s MET 39 CO 0.34 -0.80 0.40 -1.14 -0.65 0.00 0.00 175.02 173.16 1ti6 s GLN 40 N -3.57 4.27 0.10 4.11 0.74 -1.26 -4.61 119.66 119.44 1ti6 s GLN 40 Ca 0.68 0.30 -0.34 0.00 0.05 0.00 0.00 55.36 56.06 1ti6 s GLN 40 Cb -0.20 -3.42 -0.13 0.00 1.10 0.00 0.00 33.01 30.37 1ti6 s GLN 40 CO 0.30 0.23 1.67 0.54 -0.55 0.00 0.00 175.29 177.48 1ti6 n ARG 41 N 3.49 2.23 0.00 1.67 1.74 -1.26 -1.46 116.66 123.07 1ti6 n ARG 41 Ca -0.10 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1ti6 n ARG 41 Cb 0.52 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1ti6 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 42 N 3.72 2.92 3.77 -0.13 0.00 -1.26 -5.08 105.19 109.13 1ti6 n GLY 42 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1ti6 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ti6 s HIS 43 N -2.56 2.64 -0.50 1.61 3.76 -0.54 -5.01 115.29 114.69 1ti6 s HIS 43 Ca 0.00 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.53 1ti6 s HIS 43 Cb 0.00 -3.12 0.26 0.00 1.11 0.00 0.00 32.58 30.83 1ti6 s HIS 43 CO 0.00 -1.68 0.66 0.54 -0.85 0.00 0.00 174.74 173.41 1ti6 n ARG 44 N -2.70 1.64 -0.28 1.40 1.74 -1.26 -4.88 116.66 112.32 1ti6 n ARG 44 Ca 0.10 -3.93 0.10 0.00 -0.77 0.00 0.00 57.85 53.34 1ti6 n ARG 44 Cb 0.52 -1.74 0.34 0.00 -1.02 0.00 0.00 32.46 30.56 1ti6 n ARG 44 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ti6 h TRP 45 N 3.93 0.90 -3.66 -1.55 4.06 -1.92 -3.16 115.95 114.54 1ti6 h TRP 45 Ca 0.13 0.03 -0.69 0.00 2.06 0.00 0.00 58.89 60.41 1ti6 h TRP 45 Cb 0.77 -0.29 -0.28 0.00 -1.00 0.00 0.00 29.16 28.36 1ti6 h TRP 45 CO 0.55 0.36 -0.60 1.41 -3.56 0.00 0.00 178.44 176.60 1ti6 s MET 46 N -5.75 2.67 -0.34 0.49 -2.45 -1.26 -4.16 119.30 108.49 1ti6 s MET 46 Ca -0.10 -1.15 -0.02 0.00 -1.25 0.00 0.00 55.69 53.17 1ti6 s MET 46 Cb 0.22 -3.46 0.07 0.00 1.25 0.00 0.00 34.83 32.91 1ti6 s MET 46 CO 0.79 -0.65 0.09 1.21 1.05 0.00 0.00 175.02 177.51 1ti6 s ASN 47 N 1.42 5.06 -0.65 1.11 3.84 -0.52 -4.83 114.94 120.37 1ti6 s ASN 47 Ca -0.01 -1.57 -0.25 0.00 0.21 0.00 0.00 52.86 51.25 1ti6 s ASN 47 Cb -0.19 -1.77 0.05 0.00 -0.55 0.00 0.00 41.25 38.79 1ti6 s ASN 47 CO 0.03 -0.37 1.07 -0.63 -2.79 0.00 0.00 177.10 174.40 1ti6 s ILE 48 N 1.21 4.14 0.29 -5.21 1.01 -1.26 -0.89 121.20 120.50 1ti6 s ILE 48 Ca 0.01 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 1ti6 s ILE 48 Cb -0.21 -4.72 -0.09 0.00 0.01 0.00 0.00 42.46 37.44 1ti6 s ILE 48 CO -0.02 -1.49 1.09 -1.61 0.00 0.00 0.00 174.94 172.91 1ti6 s GLU 49 N 4.58 4.60 -0.06 2.79 0.41 -0.78 -4.83 118.70 125.42 1ti6 s GLU 49 Ca 0.29 1.76 0.05 0.00 -0.41 0.00 0.00 54.97 56.66 1ti6 s GLU 49 Cb -0.13 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 29.08 1ti6 s GLU 49 CO 0.15 0.19 -0.22 1.03 -0.49 0.00 0.00 175.26 175.92 1ti6 s ARG 50 N -1.54 2.61 -0.17 1.61 0.52 -1.26 -0.66 118.95 120.07 1ti6 s ARG 50 Ca 0.46 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1ti6 s ARG 50 Cb -0.31 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.00 1ti6 s ARG 50 CO 0.39 0.41 0.19 0.50 0.02 0.00 0.00 175.30 176.82 1ti6 s ARG 51 N -0.22 0.13 0.29 3.54 3.52 -0.58 -5.02 118.95 120.61 1ti6 s ARG 51 Ca -0.01 0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.72 1ti6 s ARG 51 Cb -0.13 -0.98 -0.09 0.00 -1.56 0.00 0.00 34.95 32.19 1ti6 s ARG 51 CO 0.03 -0.55 0.73 -1.21 -0.81 0.00 0.00 175.30 173.49 1ti6 s GLU 52 N 2.30 4.08 0.06 5.12 2.02 -1.26 -1.94 118.70 129.07 1ti6 s GLU 52 Ca 0.05 0.73 0.03 0.00 0.02 0.00 0.00 54.97 55.80 1ti6 s GLU 52 Cb -0.15 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1ti6 s GLU 52 CO -0.10 0.23 -0.10 1.03 0.02 0.00 0.00 175.26 176.34 1ti6 s ARG 53 N -2.68 0.65 1.43 1.61 0.52 0.12 -4.97 118.95 115.63 1ti6 s ARG 53 Ca 0.51 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1ti6 s ARG 53 Cb -0.12 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1ti6 s ARG 53 CO 0.18 0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.01 1ti6 n GLY 54 N 1.28 -1.62 3.09 -3.53 0.00 -1.26 -1.49 105.19 101.66 1ti6 n GLY 54 Ca -0.21 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1ti6 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ti6 s THR 55 N 0.00 0.74 0.28 2.61 -4.23 -1.26 -4.82 115.64 108.96 1ti6 s THR 55 Ca 0.00 -1.07 -0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1ti6 s THR 55 Cb 0.00 -0.75 -0.14 0.00 1.34 0.00 0.00 72.50 72.95 1ti6 s THR 55 CO 0.00 -0.27 1.02 0.00 -0.54 0.00 0.00 174.62 174.83 1ti6 n TYR 56 N 1.56 1.25 -0.00 3.99 9.36 -1.26 -1.39 117.16 130.66 1ti6 n TYR 56 Ca -0.21 0.70 0.11 0.00 3.32 0.00 0.00 57.90 61.83 1ti6 n TYR 56 Cb 0.55 -2.25 0.28 0.00 -0.63 0.00 0.00 39.34 37.29 1ti6 n TYR 56 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ti6 n PRO 57 N 0.83 2.55 -1.75 2.98 -0.04 -1.26 -4.88 135.00 133.42 1ti6 n PRO 57 Ca 0.10 -2.38 -0.29 0.00 -0.04 0.00 0.00 63.50 60.88 1ti6 n PRO 57 Cb 0.31 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1ti6 n PRO 57 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ti6 n ARG 58 N 1.48 3.18 -2.70 0.54 1.74 -0.48 -5.01 116.66 115.41 1ti6 n ARG 58 Ca 0.22 -3.79 -0.21 0.00 -0.77 0.00 0.00 57.85 53.30 1ti6 n ARG 58 Cb 0.58 -2.28 0.05 0.00 -1.02 0.00 0.00 32.46 29.79 1ti6 n ARG 58 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ti6 s ASN 59 N -2.75 5.06 0.38 0.55 2.20 -1.14 -4.50 114.94 114.75 1ti6 s ASN 59 Ca 0.57 -0.22 -0.12 0.00 -0.94 0.00 0.00 52.86 52.15 1ti6 s ASN 59 Cb 0.45 -0.53 0.05 0.00 -2.00 0.00 0.00 41.25 39.22 1ti6 s ASN 59 CO -0.01 -1.30 0.72 -0.90 -2.94 0.00 0.00 177.10 172.67 1ti6 n ASP 60 N -2.41 -2.09 -3.67 3.54 5.68 -0.56 -4.98 116.55 112.07 1ti6 n ASP 60 Ca 0.10 -2.62 -0.14 0.00 -0.50 0.00 0.00 54.79 51.63 1ti6 n ASP 60 Cb 0.60 3.53 -0.08 0.00 -1.14 0.00 0.00 41.12 44.03 1ti6 n ASP 60 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1ti6 s ILE 61 N -2.25 0.01 0.08 2.12 2.07 -1.26 -0.70 121.20 121.27 1ti6 s ILE 61 Ca 0.18 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 1ti6 s ILE 61 Cb -0.04 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1ti6 s ILE 61 CO 0.13 -0.03 -0.07 0.20 -1.91 0.00 0.00 174.94 173.26 1ti6 s ASN 62 N -0.14 1.04 0.16 4.50 0.01 -0.82 -5.00 114.94 114.69 1ti6 s ASN 62 Ca -0.03 -0.86 0.09 0.00 -0.71 0.00 0.00 52.86 51.35 1ti6 s ASN 62 Cb -0.03 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 1ti6 s ASN 62 CO 0.03 -0.39 -0.21 -0.31 -1.51 0.00 0.00 177.10 174.71 1ti6 s TYR 63 N -2.92 1.98 -0.34 2.20 1.51 -1.26 -1.53 117.35 116.98 1ti6 s TYR 63 Ca 0.05 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1ti6 s TYR 63 Cb 0.01 -1.01 0.11 0.00 -0.11 0.00 0.00 41.96 40.96 1ti6 s TYR 63 CO -0.03 0.35 0.15 0.50 -1.11 0.00 0.00 175.55 175.41 1ti6 s ARG 64 N -2.52 0.74 0.24 -0.62 3.52 0.17 -4.72 118.95 115.76 1ti6 s ARG 64 Ca 0.15 -1.25 -0.31 0.00 -0.13 0.00 0.00 55.73 54.18 1ti6 s ARG 64 Cb -0.08 -1.84 -0.12 0.00 -1.56 0.00 0.00 34.95 31.35 1ti6 s ARG 64 CO 0.07 -1.07 1.66 -2.30 -0.81 0.00 0.00 175.30 172.85 1ti6 n PRO 65 N 4.47 2.70 -3.73 5.12 -0.02 -1.26 -1.86 135.00 140.43 1ti6 n PRO 65 Ca 0.02 0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 62.17 1ti6 n PRO 65 Cb 0.39 -2.78 -0.14 0.00 -0.02 0.00 0.00 33.50 30.95 1ti6 n PRO 65 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ti6 s THR 66 N 0.67 1.01 0.00 3.45 2.01 -0.07 -4.92 115.64 117.79 1ti6 s THR 66 Ca 0.71 -1.70 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1ti6 s THR 66 Cb -0.51 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1ti6 s THR 66 CO 0.39 -0.74 0.00 -0.81 -0.69 0.00 0.00 174.62 172.78 1ti6 n PRO 67 N 4.51 2.60 -2.33 4.92 -0.04 -1.26 -1.43 135.00 141.96 1ti6 n PRO 67 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 1ti6 n PRO 67 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 1ti6 n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ti6 n MET 69 N 0.52 0.20 -4.40 0.00 0.00 -1.26 -4.86 117.12 107.31 1ti6 n MET 69 Ca 0.02 0.14 -0.35 0.00 0.00 0.00 0.00 57.70 57.51 1ti6 n MET 69 Cb 0.45 -1.71 -0.09 0.00 0.00 0.00 0.00 33.22 31.87 1ti6 n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1ti6 n HIS 70 N -2.04 -1.23 -1.72 2.03 8.25 -1.26 -1.48 115.22 117.78 1ti6 n HIS 70 Ca 0.06 0.64 -0.38 0.00 -0.26 0.00 0.00 57.72 57.77 1ti6 n HIS 70 Cb 0.41 -2.46 0.05 0.00 1.12 0.00 0.00 29.99 29.10 1ti6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ti6 h GLU 72 N 1.19 0.00 -2.28 0.00 5.08 -0.05 -3.16 114.58 115.35 1ti6 h GLU 72 Ca -0.50 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.24 1ti6 h GLU 72 Cb 1.32 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.17 1ti6 h GLU 72 CO 0.56 0.27 -0.42 -1.71 -1.00 0.00 0.00 179.01 176.70 1ti6 n ASN 73 N -4.16 4.68 -4.69 1.42 4.05 0.30 -5.03 115.26 111.83 1ti6 n ASN 73 Ca -0.02 -3.63 -0.42 0.00 0.45 0.00 0.00 54.58 50.96 1ti6 n ASN 73 Cb 0.32 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 40.64 1ti6 n ASN 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ti6 s ALA 74 N -3.33 3.64 0.33 5.20 0.00 -1.20 -4.45 121.76 121.96 1ti6 s ALA 74 Ca 0.46 1.06 0.15 0.00 0.00 0.00 0.00 51.96 53.62 1ti6 s ALA 74 Cb 0.24 -3.66 0.73 0.00 0.00 0.00 0.00 23.12 20.42 1ti6 s ALA 74 CO -0.10 -1.07 1.81 -1.35 0.00 0.00 0.00 175.76 175.04 1ti6 h PRO 75 N 8.28 0.00 -0.05 0.00 0.11 -1.93 -2.82 132.00 135.59 1ti6 h PRO 75 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ti6 h PRO 75 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ti6 h PRO 75 CO 0.92 0.38 0.02 0.00 -0.21 0.00 0.00 178.00 179.12 1ti6 h VAL 77 N -0.08 0.96 -0.50 0.00 2.07 -1.78 2.13 116.25 119.05 1ti6 h VAL 77 Ca 0.02 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1ti6 h VAL 77 Cb 0.16 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1ti6 h VAL 77 CO -0.00 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.88 1ti6 h ALA 78 N 1.13 0.63 -0.26 1.67 0.00 -1.32 -3.05 119.26 118.07 1ti6 h ALA 78 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ti6 h ALA 78 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ti6 h ALA 78 CO -0.09 -0.09 -0.00 1.63 0.00 0.00 0.00 179.25 180.70 1ti6 n LYS 79 N -4.88 2.63 0.00 0.00 5.02 0.11 -4.55 118.16 116.49 1ti6 n LYS 79 Ca 0.04 -2.88 0.13 0.00 -2.02 0.00 0.00 58.31 53.59 1ti6 n LYS 79 Cb 0.13 -1.82 0.36 0.00 -0.02 0.00 0.00 35.03 33.68 1ti6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ti6 n GLY 80 N -0.68 -0.19 3.05 0.72 0.00 0.72 -4.95 105.19 103.87 1ti6 n GLY 80 Ca 0.23 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1ti6 n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ti6 n ASN 81 N -0.12 -4.95 0.00 1.61 2.85 -1.26 -1.25 115.26 112.14 1ti6 n ASN 81 Ca 0.14 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1ti6 n ASN 81 Cb 0.39 -4.05 0.00 0.00 1.24 0.00 0.00 39.78 37.35 1ti6 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ti6 n GLY 82 N -1.28 0.94 0.00 8.20 0.00 -1.26 -4.89 105.19 106.89 1ti6 n GLY 82 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1ti6 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 n ALA 83 N -0.19 2.55 -3.19 4.61 0.00 -0.38 -4.72 120.51 119.18 1ti6 n ALA 83 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 1ti6 n ALA 83 Cb 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 1ti6 n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ti6 s VAL 84 N -3.00 0.50 0.16 0.00 1.01 -1.26 0.06 120.40 117.87 1ti6 s VAL 84 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1ti6 s VAL 84 Cb 0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1ti6 s VAL 84 CO 0.56 0.18 -0.05 -0.72 0.00 0.00 0.00 175.10 175.08 1ti6 s TYR 85 N 0.38 1.22 -0.14 5.22 1.13 -0.22 -4.52 117.35 120.41 1ti6 s TYR 85 Ca -0.05 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.72 1ti6 s TYR 85 Cb -0.09 -0.67 -0.01 0.00 -1.10 0.00 0.00 41.96 40.10 1ti6 s TYR 85 CO -0.00 -0.07 -0.14 -1.14 -2.51 0.00 0.00 175.55 171.68 1ti6 s GLN 86 N -3.83 3.29 0.57 -3.49 0.74 -1.26 -1.09 119.66 114.59 1ti6 s GLN 86 Ca 0.20 -0.72 -0.06 0.00 0.05 0.00 0.00 55.36 54.82 1ti6 s GLN 86 Cb 0.05 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.52 1ti6 s GLN 86 CO 0.02 0.11 0.89 1.03 -0.55 0.00 0.00 175.29 176.78 1ti6 s ARG 87 N 0.61 3.13 0.43 1.67 0.52 0.06 -4.98 118.95 120.39 1ti6 s ARG 87 Ca -0.08 0.12 0.12 0.00 -0.52 0.00 0.00 55.73 55.37 1ti6 s ARG 87 Cb -0.16 -2.28 0.93 0.00 0.52 0.00 0.00 34.95 33.96 1ti6 s ARG 87 CO 0.03 -0.57 1.99 0.93 0.02 0.00 0.00 175.30 177.70 1ti6 h GLU 88 N -0.10 0.16 0.00 3.54 5.08 -1.98 -1.55 114.58 119.74 1ti6 h GLU 88 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ti6 h GLU 88 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ti6 h GLU 88 CO 0.61 0.26 0.00 -0.40 -1.00 0.00 0.00 179.01 178.48 1ti6 n ASP 89 N -4.35 0.00 0.00 1.42 3.85 -1.26 -4.78 116.55 111.43 1ti6 n ASP 89 Ca -0.01 -1.56 0.00 0.00 -0.71 0.00 0.00 54.79 52.50 1ti6 n ASP 89 Cb 0.21 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1ti6 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ti6 n GLY 90 N 0.65 2.93 3.72 6.12 0.00 -0.58 -1.32 105.19 116.72 1ti6 n GLY 90 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ti6 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ti6 s ILE 91 N -2.45 2.89 -0.25 -0.61 1.01 -1.26 -4.71 121.20 115.82 1ti6 s ILE 91 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 1ti6 s ILE 91 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1ti6 s ILE 91 CO 0.00 0.06 0.12 -0.69 0.00 0.00 0.00 174.94 174.43 1ti6 s VAL 92 N 0.94 4.86 0.01 2.92 1.01 -1.26 -0.76 120.40 128.11 1ti6 s VAL 92 Ca 0.66 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1ti6 s VAL 92 Cb -0.41 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1ti6 s VAL 92 CO 0.33 0.32 -0.19 -0.76 0.00 0.00 0.00 175.10 174.80 1ti6 s LEU 93 N 1.46 2.09 0.11 3.92 1.43 -0.25 -4.81 118.68 122.63 1ti6 s LEU 93 Ca 0.06 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 1ti6 s LEU 93 Cb -0.15 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 1ti6 s LEU 93 CO 0.06 0.19 0.75 -0.63 0.23 0.00 0.00 176.35 176.96 1ti6 s ILE 94 N -0.59 4.54 -0.49 -0.59 1.01 -1.26 -1.06 121.20 122.75 1ti6 s ILE 94 Ca 0.07 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.06 1ti6 s ILE 94 Cb -0.08 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1ti6 s ILE 94 CO 0.00 0.46 1.16 -0.62 0.00 0.00 0.00 174.94 175.95 1ti6 s ASP 95 N -0.71 6.58 0.46 3.58 -1.08 0.11 -4.89 116.67 120.72 1ti6 s ASP 95 Ca 0.36 0.42 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 1ti6 s ASP 95 Cb -0.22 -2.55 1.34 0.00 -1.46 0.00 0.00 42.92 40.03 1ti6 s ASP 95 CO 0.24 -1.31 1.74 -0.65 0.52 0.00 0.00 175.17 175.71 1ti6 h PRO 96 N 9.38 0.18 0.02 4.34 0.11 -1.87 -0.49 132.00 143.67 1ti6 h PRO 96 Ca -0.24 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.53 1ti6 h PRO 96 Cb 1.06 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1ti6 h PRO 96 CO 1.14 0.12 -1.84 0.39 -0.21 0.00 0.00 178.00 177.60 1ti6 n GLU 97 N -4.47 0.60 0.26 1.05 -0.58 -1.26 -4.10 120.64 112.15 1ti6 n GLU 97 Ca 0.29 0.41 0.11 0.00 -0.42 0.00 0.00 57.16 57.56 1ti6 n GLU 97 Cb 1.17 -1.65 0.73 0.00 -0.57 0.00 0.00 31.44 31.12 1ti6 n GLU 97 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1ti6 h LYS 98 N -0.81 0.00 0.00 3.49 1.57 -1.86 -2.53 116.57 116.43 1ti6 h LYS 98 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ti6 h LYS 98 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1ti6 h LYS 98 CO -0.24 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.73 1ti6 h ALA 99 N 1.91 1.00 -1.98 3.86 0.00 -1.28 -3.46 119.26 119.31 1ti6 h ALA 99 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1ti6 h ALA 99 Cb 0.20 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.08 1ti6 h ALA 99 CO 0.01 0.00 0.35 1.63 0.00 0.00 0.00 179.25 181.24 1ti6 n LYS 100 N -2.83 1.48 -1.00 0.00 5.02 -0.96 -2.01 118.16 117.86 1ti6 n LYS 100 Ca 0.04 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1ti6 n LYS 100 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1ti6 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ti6 n GLY 101 N 1.89 0.45 2.93 0.72 0.00 0.68 -4.99 105.19 106.86 1ti6 n GLY 101 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1ti6 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 102 N -0.26 2.42 0.55 1.61 1.02 -0.85 -4.90 119.74 119.33 1ti6 s LYS 102 Ca 0.00 -3.17 0.31 0.00 0.02 0.00 0.00 55.97 53.13 1ti6 s LYS 102 Cb 0.00 -3.45 1.55 0.00 -0.52 0.00 0.00 37.83 35.42 1ti6 s LYS 102 CO 0.00 -1.24 2.09 0.87 -0.92 0.00 0.00 175.35 176.14 1ti6 h LYS 103 N 5.72 0.00 -0.34 1.68 1.57 -1.94 -2.82 116.57 120.44 1ti6 h LYS 103 Ca 0.09 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1ti6 h LYS 103 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1ti6 h LYS 103 CO 0.72 0.09 0.25 0.93 -0.57 0.00 0.00 179.45 180.87 1ti6 h GLU 104 N 0.00 0.00 -0.92 3.15 3.07 -1.98 -2.24 114.58 115.66 1ti6 h GLU 104 Ca -0.00 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.01 1ti6 h GLU 104 Cb 0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.18 1ti6 h GLU 104 CO 0.01 0.00 0.59 -0.07 -1.40 0.00 0.00 179.01 178.14 1ti6 h LEU 105 N 0.00 0.69 -1.34 1.33 3.38 -1.89 -1.58 115.31 115.90 1ti6 h LEU 105 Ca 0.16 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.32 1ti6 h LEU 105 Cb 0.66 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1ti6 h LEU 105 CO -0.00 0.33 0.56 -0.07 0.09 0.00 0.00 178.44 179.34 1ti6 h LEU 106 N 0.72 0.61 0.00 1.67 3.38 -1.64 -1.49 115.31 118.56 1ti6 h LEU 106 Ca 0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1ti6 h LEU 106 Cb 0.76 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ti6 h LEU 106 CO -0.23 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.08 1ti6 n ASP 107 N -4.54 0.00 -0.16 -0.43 8.00 -0.59 -2.87 116.55 115.96 1ti6 n ASP 107 Ca 0.16 0.18 0.14 0.00 0.71 0.00 0.00 54.79 55.98 1ti6 n ASP 107 Cb 0.46 -0.38 0.74 0.00 -0.02 0.00 0.00 41.12 41.91 1ti6 n ASP 107 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ti6 n THR 108 N -1.38 0.02 -3.56 -3.53 -2.24 -0.56 -4.76 114.28 98.26 1ti6 n THR 108 Ca 0.09 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 1ti6 n THR 108 Cb 0.24 -0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 1ti6 n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti6 h PRO 110 N 8.46 0.00 0.00 0.00 0.11 -1.90 -2.98 132.00 135.69 1ti6 h PRO 110 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ti6 h PRO 110 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ti6 h PRO 110 CO 0.63 0.32 -0.69 1.88 -0.21 0.00 0.00 178.00 179.93 1ti6 h TYR 111 N 0.00 0.00 -5.21 0.65 -1.99 -1.96 -3.48 116.97 104.98 1ti6 h TYR 111 Ca -0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 1ti6 h TYR 111 Cb 0.80 0.00 0.12 0.00 2.00 0.00 0.00 36.73 39.66 1ti6 h TYR 111 CO 0.00 0.00 -0.60 0.41 -0.00 0.00 0.00 178.16 177.97 1ti6 n GLY 112 N 1.33 -0.34 0.04 3.88 0.00 -1.13 -4.93 105.19 104.04 1ti6 n GLY 112 Ca 0.03 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1ti6 n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ti6 n VAL 113 N -4.59 0.00 -3.77 1.61 0.24 -1.26 -4.90 118.33 105.66 1ti6 n VAL 113 Ca -0.02 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.34 61.93 1ti6 n VAL 113 Cb 0.56 0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.21 1ti6 n VAL 113 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ti6 s MET 114 N -2.91 3.56 0.08 7.34 0.23 -1.26 -4.57 119.30 121.76 1ti6 s MET 114 Ca 0.13 -0.17 0.08 0.00 -1.03 0.00 0.00 55.69 54.69 1ti6 s MET 114 Cb 0.18 -2.99 -0.03 0.00 -1.53 0.00 0.00 34.83 30.46 1ti6 s MET 114 CO 0.68 0.58 -0.20 0.71 -2.03 0.00 0.00 175.02 174.75 1ti6 s TYR 115 N -1.48 1.72 -0.20 3.16 1.51 0.11 -4.91 117.35 117.27 1ti6 s TYR 115 Ca 0.34 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.78 1ti6 s TYR 115 Cb -0.13 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1ti6 s TYR 115 CO 0.22 0.15 0.69 -0.46 -1.11 0.00 0.00 175.55 175.04 1ti6 s TRP 116 N -1.05 3.38 -0.40 2.71 -0.11 -1.26 -0.04 118.94 122.16 1ti6 s TRP 116 Ca 0.06 1.01 -0.19 0.00 1.22 0.00 0.00 56.10 58.20 1ti6 s TRP 116 Cb -0.10 -2.86 0.01 0.00 -1.50 0.00 0.00 33.47 29.02 1ti6 s TRP 116 CO 0.03 -0.21 0.56 1.21 -4.62 0.00 0.00 176.95 173.92 1ti6 s ASN 117 N 1.21 6.30 0.14 5.86 3.84 -0.26 -4.96 114.94 127.07 1ti6 s ASN 117 Ca 0.31 -0.29 -0.17 0.00 0.21 0.00 0.00 52.86 52.92 1ti6 s ASN 117 Cb -0.16 -2.28 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 1ti6 s ASN 117 CO 0.11 -0.64 1.77 -0.33 -2.79 0.00 0.00 177.10 175.21 1ti6 h GLU 118 N 8.70 0.49 -0.64 0.43 4.39 -1.96 0.49 114.58 126.48 1ti6 h GLU 118 Ca -0.26 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1ti6 h GLU 118 Cb 1.11 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1ti6 h GLU 118 CO 0.83 0.37 0.19 1.49 -1.16 0.00 0.00 179.01 180.73 1ti6 h GLU 119 N 0.46 1.00 0.00 2.33 4.81 -1.97 -3.03 114.58 118.18 1ti6 h GLU 119 Ca 0.13 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1ti6 h GLU 119 Cb 0.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1ti6 h GLU 119 CO -0.02 0.89 -0.63 0.39 -0.73 0.00 0.00 179.01 178.90 1ti6 n GLU 120 N -4.35 0.05 -3.67 1.92 -0.58 -1.19 -4.98 120.64 107.84 1ti6 n GLU 120 Ca 0.04 0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.49 1ti6 n GLU 120 Cb 0.22 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1ti6 n GLU 120 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ti6 n ASN 121 N -1.59 -4.97 -3.51 1.62 3.02 0.17 -4.76 115.26 105.23 1ti6 n ASN 121 Ca 0.05 -0.99 -0.17 0.00 -0.03 0.00 0.00 54.58 53.43 1ti6 n ASN 121 Cb 0.35 -3.50 -0.06 0.00 -0.61 0.00 0.00 39.78 35.96 1ti6 n ASN 121 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ti6 s VAL 122 N -3.49 0.00 0.37 2.41 0.11 -1.07 -0.23 120.40 118.50 1ti6 s VAL 122 Ca 0.43 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.23 1ti6 s VAL 122 Cb -0.15 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.61 1ti6 s VAL 122 CO 0.85 0.00 1.03 0.00 -3.33 0.00 0.00 175.10 173.66 1ti6 s ALA 123 N -1.42 3.15 0.04 1.54 0.00 -1.26 -1.10 121.76 122.71 1ti6 s ALA 123 Ca -0.10 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1ti6 s ALA 123 Cb -0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ti6 s ALA 123 CO 0.08 -0.13 -0.03 -0.65 0.00 0.00 0.00 175.76 175.03 1ti6 s GLN 124 N -2.29 0.49 0.00 0.00 -0.21 0.94 -4.91 119.66 113.68 1ti6 s GLN 124 Ca 0.55 -0.98 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 1ti6 s GLN 124 Cb -0.22 0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.99 1ti6 s GLN 124 CO 0.28 -0.09 0.55 0.36 -2.12 0.00 0.00 175.29 174.28 1ti6 n LYS 125 N 0.69 0.11 -1.55 2.91 -0.00 -1.26 0.08 118.16 119.14 1ti6 n LYS 125 Ca -0.18 -0.38 -0.56 0.00 -0.00 0.00 0.00 58.31 57.19 1ti6 n LYS 125 Cb 0.59 0.61 -0.07 0.00 -0.00 0.00 0.00 35.03 36.15 1ti6 n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ti6 n THR 127 N 2.02 0.00 -3.42 0.00 -2.24 -1.26 -4.85 114.28 104.52 1ti6 n THR 127 Ca 0.19 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 1ti6 n THR 127 Cb 0.13 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.50 1ti6 n THR 127 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1ti6 n MET 128 N -0.03 -6.32 -3.78 -0.78 1.56 -1.26 -2.00 117.12 104.51 1ti6 n MET 128 Ca 0.03 0.81 -0.24 0.00 -0.27 0.00 0.00 57.70 58.03 1ti6 n MET 128 Cb 0.12 -5.76 -0.04 0.00 2.15 0.00 0.00 33.22 29.69 1ti6 n MET 128 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ti6 h ALA 130 N 1.53 2.18 -0.00 0.00 0.00 -1.83 0.22 119.26 121.36 1ti6 h ALA 130 Ca -0.44 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1ti6 h ALA 130 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ti6 h ALA 130 CO 0.42 -0.29 -0.23 1.12 0.00 0.00 0.00 179.25 180.27 1ti6 h HIS 131 N 0.19 0.01 0.21 0.00 2.07 -1.86 0.58 115.15 116.35 1ti6 h HIS 131 Ca 0.21 -0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.42 1ti6 h HIS 131 Cb 0.60 -0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.60 1ti6 h HIS 131 CO -0.00 0.24 -1.46 -0.07 -3.07 0.00 0.00 177.93 173.56 1ti6 h LEU 132 N 0.01 0.71 -1.66 6.12 3.38 -0.96 -3.28 115.31 119.61 1ti6 h LEU 132 Ca -0.00 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1ti6 h LEU 132 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ti6 h LEU 132 CO 0.03 1.69 -0.20 -0.07 0.09 0.00 0.00 178.44 179.98 1ti6 h LEU 133 N 0.03 0.00 -0.89 1.67 3.38 -0.85 -2.03 115.31 116.62 1ti6 h LEU 133 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ti6 h LEU 133 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1ti6 h LEU 133 CO 0.22 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.41 1ti6 n ASP 134 N -3.93 1.34 -4.07 -0.43 8.00 0.17 -4.75 116.55 112.87 1ti6 n ASP 134 Ca -0.02 -1.70 -0.32 0.00 0.71 0.00 0.00 54.79 53.46 1ti6 n ASP 134 Cb 0.28 -0.10 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 1ti6 n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ti6 s ASP 135 N -1.49 3.80 0.54 -2.24 -1.08 -0.76 -4.99 116.67 110.44 1ti6 s ASP 135 Ca 0.30 -1.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.50 1ti6 s ASP 135 Cb 0.15 -1.47 1.40 0.00 -1.46 0.00 0.00 42.92 41.55 1ti6 s ASP 135 CO 0.23 -0.12 2.08 -0.33 0.52 0.00 0.00 175.17 177.56 1ti6 h GLU 136 N 7.87 0.00 0.00 4.34 4.39 -1.85 -1.50 114.58 127.82 1ti6 h GLU 136 Ca -0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1ti6 h GLU 136 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1ti6 h GLU 136 CO 0.53 0.00 -0.01 0.77 -1.16 0.00 0.00 179.01 179.13 1ti6 h SER 137 N 0.00 0.00 -1.01 1.42 0.02 -1.94 -3.34 113.55 108.70 1ti6 h SER 137 Ca 0.12 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.48 1ti6 h SER 137 Cb 0.52 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 1ti6 h SER 137 CO -0.00 0.01 1.60 0.86 -1.14 0.00 0.00 176.83 178.16 1ti6 s TRP 138 N -4.63 2.52 0.29 3.45 -0.00 -0.57 -4.86 118.94 115.15 1ti6 s TRP 138 Ca -0.05 -0.89 0.03 0.00 -0.00 0.00 0.00 56.10 55.20 1ti6 s TRP 138 Cb 0.15 -4.65 0.68 0.00 -0.00 0.00 0.00 33.47 29.65 1ti6 s TRP 138 CO 0.56 -1.88 1.74 0.00 -0.00 0.00 0.00 176.95 177.37 1ti6 h ALA 139 N 9.39 1.47 -0.04 5.86 0.00 -1.86 -2.06 119.26 132.02 1ti6 h ALA 139 Ca 0.25 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1ti6 h ALA 139 Cb 0.98 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ti6 h ALA 139 CO 1.42 -0.18 0.07 -1.35 0.00 0.00 0.00 179.25 179.21 1ti6 h PRO 140 N 0.58 0.00 -5.17 0.00 0.11 -1.93 -3.45 132.00 122.13 1ti6 h PRO 140 Ca 0.54 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.28 1ti6 h PRO 140 Cb 0.90 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 1ti6 h PRO 140 CO -0.43 0.00 -0.54 1.63 -0.21 0.00 0.00 178.00 178.45 1ti6 n LYS 141 N -3.55 -3.49 -3.79 1.05 5.02 -0.78 -4.94 118.16 107.69 1ti6 n LYS 141 Ca -0.02 0.54 -0.10 0.00 -2.02 0.00 0.00 58.31 56.72 1ti6 n LYS 141 Cb 0.16 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 1ti6 n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ti6 s MET 142 N -5.88 1.04 1.00 1.97 0.23 -1.26 -5.01 119.30 111.39 1ti6 s MET 142 Ca 0.35 -0.90 -0.12 0.00 -1.03 0.00 0.00 55.69 53.99 1ti6 s MET 142 Cb -0.18 0.41 0.19 0.00 -1.53 0.00 0.00 34.83 33.72 1ti6 s MET 142 CO 0.43 -0.39 1.08 -2.14 -2.03 0.00 0.00 175.02 171.97 1ti6 s PRO 143 N -3.86 0.41 0.34 3.16 0.02 -1.26 -4.82 135.00 128.98 1ti6 s PRO 143 Ca 0.07 0.90 0.04 0.00 0.02 0.00 0.00 61.00 62.03 1ti6 s PRO 143 Cb 0.03 -1.70 0.61 0.00 0.02 0.00 0.00 34.50 33.45 1ti6 s PRO 143 CO -0.08 -2.85 1.89 0.00 -0.33 0.00 0.00 177.00 175.63 1ti6 h ARG 144 N -1.99 0.56 0.03 5.54 2.47 -1.93 -2.14 114.38 116.91 1ti6 h ARG 144 Ca -0.53 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.08 1ti6 h ARG 144 Cb 1.30 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1ti6 h ARG 144 CO 0.52 0.55 -0.10 0.00 0.56 0.00 0.00 179.97 181.50 1ti6 h ALA 146 N -1.39 1.56 -0.07 0.00 0.00 -1.93 -0.94 119.26 116.49 1ti6 h ALA 146 Ca -0.00 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 146 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ti6 h ALA 146 CO -0.05 -0.13 -0.81 1.25 0.00 0.00 0.00 179.25 179.51 1ti6 h HIS 147 N 0.66 0.70 0.00 0.00 6.17 -1.13 -3.22 115.15 118.31 1ti6 h HIS 147 Ca 0.56 -0.33 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1ti6 h HIS 147 Cb 0.91 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.74 1ti6 h HIS 147 CO -0.04 1.12 0.00 -0.91 0.71 0.00 0.00 177.93 178.81 1ti6 h ASN 148 N 0.32 0.00 -3.13 3.26 4.21 0.18 -3.46 115.58 116.96 1ti6 h ASN 148 Ca -0.05 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.89 1ti6 h ASN 148 Cb 1.42 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 38.72 1ti6 h ASN 148 CO 0.15 0.00 0.57 0.00 -1.29 0.00 0.00 177.43 176.86 1ti6 n GLY 150 N 1.29 0.64 0.49 0.00 0.00 -1.26 -4.61 105.19 101.73 1ti6 n GLY 150 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1ti6 n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ti6 n SER 151 N 0.25 2.79 -3.53 1.61 7.64 -1.26 -5.00 113.62 116.13 1ti6 n SER 151 Ca 0.05 -2.18 -0.26 0.00 1.01 0.00 0.00 58.87 57.49 1ti6 n SER 151 Cb 0.24 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 1ti6 n SER 151 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ti6 n PHE 152 N 0.04 -2.19 0.11 1.43 3.01 -1.26 -4.88 117.46 113.72 1ti6 n PHE 152 Ca 0.10 0.73 -0.20 0.00 1.01 0.00 0.00 57.45 59.09 1ti6 n PHE 152 Cb 0.45 -4.01 -0.15 0.00 -0.01 0.00 0.00 39.48 35.76 1ti6 n PHE 152 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ti6 h VAL 153 N -1.75 1.33 -3.00 -4.37 2.07 -1.88 -3.46 116.25 105.19 1ti6 h VAL 153 Ca -0.53 -2.86 -0.61 0.00 0.82 0.00 0.00 66.70 63.51 1ti6 h VAL 153 Cb 1.35 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 34.01 1ti6 h VAL 153 CO 0.60 0.85 -0.25 -0.31 0.02 0.00 0.00 177.57 178.48 1ti6 s TYR 154 N -2.63 3.67 -0.29 1.57 1.51 -1.26 -1.54 117.35 118.38 1ti6 s TYR 154 Ca -0.07 0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 56.86 1ti6 s TYR 154 Cb 0.06 -2.20 0.09 0.00 -0.11 0.00 0.00 41.96 39.80 1ti6 s TYR 154 CO 0.90 0.62 0.07 -2.00 -1.11 0.00 0.00 175.55 174.02 1ti6 s GLU 155 N -1.35 0.91 -0.22 -0.62 2.12 -0.30 -4.98 118.70 114.27 1ti6 s GLU 155 Ca 0.26 -1.11 -0.10 0.00 0.36 0.00 0.00 54.97 54.39 1ti6 s GLU 155 Cb -0.15 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.96 1ti6 s GLU 155 CO 0.14 -0.90 0.13 0.12 -0.54 0.00 0.00 175.26 174.20 1ti6 s PHE 156 N 1.52 3.31 0.06 5.30 5.36 -1.26 -0.79 117.98 131.49 1ti6 s PHE 156 Ca 0.07 0.19 -0.04 0.00 -0.96 0.00 0.00 56.93 56.19 1ti6 s PHE 156 Cb -0.18 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.28 1ti6 s PHE 156 CO -0.19 0.12 0.06 -0.48 -1.46 0.00 0.00 175.22 173.27 1ti6 s LEU 157 N 0.75 2.06 -0.22 6.12 0.05 -0.33 -5.01 118.68 122.09 1ti6 s LEU 157 Ca 0.07 -0.85 -0.00 0.00 0.05 0.00 0.00 54.13 53.39 1ti6 s LEU 157 Cb -0.13 0.53 0.06 0.00 -2.05 0.00 0.00 46.19 44.61 1ti6 s LEU 157 CO 0.02 -0.65 -0.02 -0.75 -0.55 0.00 0.00 176.35 174.40 1ti6 s LYS 158 N -3.86 1.30 0.09 1.48 2.20 -1.26 -0.25 119.74 119.44 1ti6 s LYS 158 Ca 0.06 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1ti6 s LYS 158 Cb 0.06 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1ti6 s LYS 158 CO -0.10 -0.61 0.14 -2.37 -0.36 0.00 0.00 175.35 172.04 1ti6 n THR 159 N 4.80 0.00 -2.83 3.43 5.66 0.04 -4.86 114.28 120.52 1ti6 n THR 159 Ca -0.11 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.21 1ti6 n THR 159 Cb 0.45 0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 1ti6 n THR 159 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ti6 s THR 160 N -2.59 4.80 0.29 1.09 -4.23 -1.26 -0.79 115.64 112.94 1ti6 s THR 160 Ca 0.06 0.57 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 1ti6 s THR 160 Cb -0.00 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1ti6 s THR 160 CO 0.04 -0.55 1.86 -0.65 -0.54 0.00 0.00 174.62 174.78 1ti6 h PRO 161 N 1.15 1.01 -0.19 3.99 0.11 -1.95 -1.09 132.00 135.03 1ti6 h PRO 161 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ti6 h PRO 161 Cb 1.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1ti6 h PRO 161 CO 0.64 0.67 0.11 0.93 -0.21 0.00 0.00 178.00 180.14 1ti6 h GLU 162 N 1.04 0.26 -0.73 1.05 3.07 -1.98 0.26 114.58 117.54 1ti6 h GLU 162 Ca 0.46 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1ti6 h GLU 162 Cb 0.36 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 1ti6 h GLU 162 CO -0.21 0.23 0.42 0.00 -1.40 0.00 0.00 179.01 178.05 1ti6 h ALA 163 N 1.02 0.94 -0.43 3.43 0.00 -1.74 -1.00 119.26 121.48 1ti6 h ALA 163 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 163 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ti6 h ALA 163 CO -0.01 0.43 -0.04 1.98 0.00 0.00 0.00 179.25 181.61 1ti6 h MET 164 N 1.01 0.79 -0.74 0.00 1.85 -0.93 -2.04 114.93 114.87 1ti6 h MET 164 Ca 0.26 -0.27 0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1ti6 h MET 164 Cb -0.00 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 31.92 1ti6 h MET 164 CO -0.05 0.88 0.44 0.00 -0.40 0.00 0.00 176.91 177.78 1ti6 h ALA 165 N 0.88 0.99 -0.63 0.39 0.00 -0.09 0.14 119.26 120.95 1ti6 h ALA 165 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ti6 h ALA 165 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 165 CO 0.03 0.16 0.32 -0.22 0.00 0.00 0.00 179.25 179.54 1ti6 h LYS 166 N 0.82 0.90 -0.71 0.00 3.64 -0.97 -2.59 116.57 117.66 1ti6 h LYS 166 Ca 0.32 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1ti6 h LYS 166 Cb 0.14 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1ti6 h LYS 166 CO -0.16 0.70 0.31 -0.22 -2.27 0.00 0.00 179.45 177.81 1ti6 h LYS 167 N 0.86 1.04 -0.36 1.90 3.64 -0.61 -2.38 116.57 120.67 1ti6 h LYS 167 Ca 0.22 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1ti6 h LYS 167 Cb 0.09 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1ti6 h LYS 167 CO -0.03 0.84 0.08 0.28 -2.27 0.00 0.00 179.45 178.34 1ti6 h VAL 168 N 1.00 0.83 -0.53 2.00 2.07 -0.63 -1.35 116.25 119.64 1ti6 h VAL 168 Ca 0.24 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 1ti6 h VAL 168 Cb 0.17 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1ti6 h VAL 168 CO -0.02 0.04 -0.09 -0.08 0.02 0.00 0.00 177.57 177.43 1ti6 h GLU 169 N 0.20 1.00 -0.49 1.57 4.81 -1.30 0.19 114.58 120.56 1ti6 h GLU 169 Ca 0.17 -0.36 -0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1ti6 h GLU 169 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ti6 h GLU 169 CO -0.22 1.04 -0.22 0.93 -0.73 0.00 0.00 179.01 179.82 1ti6 h GLU 170 N 0.87 1.01 -0.01 1.92 5.08 -1.21 -3.21 114.58 119.03 1ti6 h GLU 170 Ca 0.14 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ti6 h GLU 170 Cb 0.65 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ti6 h GLU 170 CO 0.04 1.11 -0.50 0.39 -1.00 0.00 0.00 179.01 179.06 1ti6 n GLU 171 N -4.11 0.75 -3.34 2.33 1.02 -0.53 -4.97 120.64 111.80 1ti6 n GLU 171 Ca 0.00 -0.56 -0.18 0.00 -0.02 0.00 0.00 57.16 56.40 1ti6 n GLU 171 Cb 0.46 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.45 1ti6 n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 172 N 1.42 -0.21 3.78 0.62 0.00 0.57 -4.88 105.19 106.49 1ti6 n GLY 172 Ca 0.09 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1ti6 n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ti6 s LEU 173 N -5.87 3.96 0.18 0.99 1.43 -0.53 -4.77 118.68 114.07 1ti6 s LEU 173 Ca 0.43 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.76 1ti6 s LEU 173 Cb -0.19 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1ti6 s LEU 173 CO 0.57 -0.91 -0.02 -1.61 0.23 0.00 0.00 176.35 174.61 1ti6 s GLU 174 N -2.85 1.16 0.35 1.70 2.02 -0.45 -4.90 118.70 115.73 1ti6 s GLU 174 Ca 0.65 -1.56 0.09 0.00 0.02 0.00 0.00 54.97 54.17 1ti6 s GLU 174 Cb -0.25 -0.44 -0.07 0.00 0.10 0.00 0.00 34.13 33.47 1ti6 s GLU 174 CO 0.30 -0.08 -0.07 0.14 0.02 0.00 0.00 175.26 175.57 1ti6 s VAL 175 N -3.52 2.15 0.16 2.63 -7.23 -1.26 0.22 120.40 113.54 1ti6 s VAL 175 Ca 0.24 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 57.99 1ti6 s VAL 175 Cb 0.05 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 1ti6 s VAL 175 CO 0.05 -0.17 0.77 -0.63 -0.31 0.00 0.00 175.10 174.80 1ti6 s ILE 176 N -2.66 4.39 -1.16 -0.62 1.01 -1.26 -4.30 121.20 116.59 1ti6 s ILE 176 Ca 0.33 1.69 -0.25 0.00 0.00 0.00 0.00 60.65 62.42 1ti6 s ILE 176 Cb 0.04 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1ti6 s ILE 176 CO 0.16 0.52 0.77 0.29 0.00 0.00 0.00 174.94 176.68 1ti6 n LYS 177 N 1.64 -0.92 -0.31 2.79 5.02 -1.26 -4.88 118.16 120.23 1ti6 n LYS 177 Ca -0.06 0.35 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1ti6 n LYS 177 Cb 0.49 -3.66 0.17 0.00 -0.02 0.00 0.00 35.03 32.01 1ti6 n LYS 177 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ti6 h PRO 178 N -2.12 1.18 0.00 1.97 0.11 -2.03 -2.68 132.00 128.43 1ti6 h PRO 178 Ca -0.68 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.36 1ti6 h PRO 178 Cb 1.37 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ti6 h PRO 178 CO 0.49 0.78 0.33 1.05 -0.21 0.00 0.00 178.00 180.44 1ti6 h GLU 179 N 1.21 0.00 0.00 1.05 9.09 -1.96 -0.54 114.58 123.43 1ti6 h GLU 179 Ca 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.71 1ti6 h GLU 179 Cb -0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 26.97 1ti6 h GLU 179 CO -0.08 0.00 -0.15 -0.07 0.05 0.00 0.00 179.01 178.76 1ti6 h LEU 180 N 0.00 0.00 0.25 3.06 3.38 -1.85 -3.48 115.31 116.68 1ti6 h LEU 180 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ti6 h LEU 180 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1ti6 h LEU 180 CO 0.00 0.15 -0.10 0.61 0.09 0.00 0.00 178.44 179.19 1ti6 n GLY 181 N 1.12 0.78 0.13 0.83 0.00 -0.21 -4.91 105.19 102.93 1ti6 n GLY 181 Ca 0.03 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.51 1ti6 n GLY 181 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ti6 h THR 182 N 0.00 0.00 -5.69 2.61 1.35 -1.82 -3.43 112.91 105.93 1ti6 h THR 182 Ca -0.11 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.14 1ti6 h THR 182 Cb 0.38 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ti6 h THR 182 CO 0.16 0.00 -0.31 0.29 -0.25 0.00 0.00 175.52 175.41 1ti6 n LYS 183 N -2.37 -1.48 -1.29 4.72 5.02 -1.26 -0.54 118.16 120.97 1ti6 n LYS 183 Ca 0.05 1.39 -0.35 0.00 -2.02 0.00 0.00 58.31 57.38 1ti6 n LYS 183 Cb 0.41 -4.91 0.10 0.00 -0.02 0.00 0.00 35.03 30.61 1ti6 n LYS 183 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ti6 n PRO 184 N -1.79 0.43 -0.14 1.97 -0.02 -1.26 -0.18 135.00 134.01 1ti6 n PRO 184 Ca -0.06 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 1ti6 n PRO 184 Cb 0.54 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.81 1ti6 n PRO 184 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ti6 n ARG 185 N -2.47 2.33 -3.74 -0.52 1.85 -0.55 -4.77 116.66 108.79 1ti6 n ARG 185 Ca 0.13 -1.87 -0.37 0.00 -1.00 0.00 0.00 57.85 54.74 1ti6 n ARG 185 Cb 0.50 -1.27 -0.12 0.00 -1.05 0.00 0.00 32.46 30.51 1ti6 n ARG 185 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ti6 s VAL 186 N -1.00 4.13 0.21 8.89 1.01 -1.24 -2.15 120.40 130.25 1ti6 s VAL 186 Ca 0.22 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1ti6 s VAL 186 Cb 0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1ti6 s VAL 186 CO 0.16 0.12 0.09 -0.31 0.00 0.00 0.00 175.10 175.16 1ti6 s TYR 187 N 1.54 2.96 -0.05 5.22 1.51 0.93 -4.75 117.35 124.71 1ti6 s TYR 187 Ca 0.04 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1ti6 s TYR 187 Cb -0.17 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1ti6 s TYR 187 CO 0.03 0.54 -0.23 0.71 -1.11 0.00 0.00 175.55 175.50 1ti6 s TYR 188 N -1.97 2.19 -0.11 2.71 2.02 0.13 0.02 117.35 122.35 1ti6 s TYR 188 Ca 0.31 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.34 1ti6 s TYR 188 Cb -0.08 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1ti6 s TYR 188 CO 0.22 -0.19 0.04 0.21 -1.57 0.00 0.00 175.55 174.26 1ti6 s LYS 189 N -0.14 3.27 -1.51 -0.62 2.20 0.37 -1.34 119.74 121.97 1ti6 s LYS 189 Ca -0.02 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.20 1ti6 s LYS 189 Cb -0.13 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1ti6 s LYS 189 CO 0.03 0.64 0.64 0.09 -0.36 0.00 0.00 175.35 176.38 1ti6 n ASN 190 N 2.38 -6.06 0.30 1.43 3.02 -1.26 -1.47 115.26 113.60 1ti6 n ASN 190 Ca -0.19 -0.30 0.17 0.00 -0.03 0.00 0.00 54.58 54.24 1ti6 n ASN 190 Cb 0.54 -4.86 0.97 0.00 -0.61 0.00 0.00 39.78 35.81 1ti6 n ASN 190 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ti6 h LEU 191 N -1.46 0.00 -2.10 3.41 5.85 -1.93 -2.43 115.31 116.65 1ti6 h LEU 191 Ca -0.52 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.28 1ti6 h LEU 191 Cb 1.36 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1ti6 h LEU 191 CO 0.56 0.02 0.25 0.10 -0.34 0.00 0.00 178.44 179.03 1ti6 h TYR 192 N 0.00 0.00 -0.42 1.25 -0.00 -1.96 0.02 116.97 115.86 1ti6 h TYR 192 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 1ti6 h TYR 192 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.78 1ti6 h TYR 192 CO 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 178.16 178.44 1ti6 h ARG 193 N 0.00 0.50 0.03 0.10 2.47 -1.76 -0.28 114.38 115.44 1ti6 h ARG 193 Ca 0.14 -0.03 -0.38 0.00 -1.26 0.00 0.00 59.98 58.45 1ti6 h ARG 193 Cb 0.65 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.80 1ti6 h ARG 193 CO -0.00 0.33 -2.36 0.34 0.56 0.00 0.00 179.97 178.84 1ti6 n PHE 194 N -4.48 0.32 0.12 3.04 7.35 -0.12 -4.64 117.46 119.05 1ti6 n PHE 194 Ca 0.04 0.07 0.11 0.00 -0.76 0.00 0.00 57.45 56.91 1ti6 n PHE 194 Cb 0.10 -1.04 -0.02 0.00 0.35 0.00 0.00 39.48 38.87 1ti6 n PHE 194 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ti6 n GLU 195 N -3.31 0.59 -2.10 -4.13 1.02 -0.55 -4.99 120.64 107.17 1ti6 n GLU 195 Ca -0.42 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 56.71 1ti6 n GLU 195 Cb 1.01 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1ti6 n GLU 195 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ti6 n LYS 196 N -2.55 1.32 -4.35 3.49 4.76 -0.12 -5.04 118.16 115.67 1ti6 n LYS 196 Ca -0.01 -0.85 -0.19 0.00 -2.87 0.00 0.00 58.31 54.40 1ti6 n LYS 196 Cb 0.54 0.10 -0.09 0.00 -1.84 0.00 0.00 35.03 33.74 1ti6 n LYS 196 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1ti6 s ASN 197 N -1.79 1.59 0.22 4.39 0.01 -1.13 -4.84 114.94 113.39 1ti6 s ASN 197 Ca 0.07 -1.52 -0.00 0.00 -0.71 0.00 0.00 52.86 50.70 1ti6 s ASN 197 Cb -0.01 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 1ti6 s ASN 197 CO 0.05 -0.85 0.18 -0.72 -1.51 0.00 0.00 177.10 174.25 1ti6 s TYR 198 N -3.60 1.21 -0.01 2.20 -0.85 -1.26 -0.91 117.35 114.13 1ti6 s TYR 198 Ca 0.35 -1.39 0.03 0.00 -0.52 0.00 0.00 57.07 55.55 1ti6 s TYR 198 Cb 0.06 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.85 1ti6 s TYR 198 CO 0.16 -0.70 -0.10 0.54 -1.52 0.00 0.00 175.55 173.93 1ti6 s VAL 199 N -4.03 0.81 0.21 -3.49 0.11 -0.78 -0.63 120.40 112.60 1ti6 s VAL 199 Ca 0.38 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1ti6 s VAL 199 Cb 0.06 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1ti6 s VAL 199 CO 0.14 0.23 0.30 0.28 -3.33 0.00 0.00 175.10 172.72 1ti6 s THR 200 N -0.17 0.02 0.02 5.04 -1.32 -0.02 -1.56 115.64 117.66 1ti6 s THR 200 Ca 0.03 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 58.60 1ti6 s THR 200 Cb -0.05 -2.20 0.11 0.00 -1.51 0.00 0.00 72.50 68.85 1ti6 s THR 200 CO -0.00 -0.10 1.23 0.00 -2.21 0.00 0.00 174.62 173.54 1ti6 s ALA 201 N -4.05 -2.14 -0.11 11.08 0.00 -1.18 -0.98 121.76 124.37 1ti6 s ALA 201 Ca 0.26 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1ti6 s ALA 201 Cb 0.03 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ti6 s ALA 201 CO 0.07 -1.06 -0.14 0.20 0.00 0.00 0.00 175.76 174.83 1ti6 s GLY 202 N -3.06 1.01 -0.17 0.00 0.00 -0.80 -2.80 107.32 101.50 1ti6 s GLY 202 Ca 0.15 -0.72 -0.14 0.00 0.00 0.00 0.00 44.72 44.02 1ti6 s GLY 202 CO -0.02 0.35 0.29 -0.42 0.00 0.00 0.00 173.10 173.29 1ti6 s ILE 203 N 1.15 5.31 -0.04 0.90 1.09 0.17 0.02 121.20 129.79 1ti6 s ILE 203 Ca -0.04 0.53 0.06 0.00 -1.10 0.00 0.00 60.65 60.11 1ti6 s ILE 203 Cb -0.14 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1ti6 s ILE 203 CO -0.04 0.38 -0.23 -0.76 -0.10 0.00 0.00 174.94 174.19 1ti6 s LEU 204 N 0.54 2.20 -0.14 2.97 1.43 0.04 -1.34 118.68 124.39 1ti6 s LEU 204 Ca 0.16 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1ti6 s LEU 204 Cb -0.13 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1ti6 s LEU 204 CO 0.04 0.29 -0.09 -0.69 0.23 0.00 0.00 176.35 176.13 1ti6 s VAL 205 N -0.45 1.24 -1.47 -1.59 1.01 -0.21 0.03 120.40 118.97 1ti6 s VAL 205 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1ti6 s VAL 205 Cb -0.12 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1ti6 s VAL 205 CO 0.01 0.35 0.86 0.00 0.00 0.00 0.00 175.10 176.33 1ti6 n GLN 206 N 4.87 -5.46 0.00 2.72 6.02 -1.19 -2.03 117.38 122.31 1ti6 n GLN 206 Ca -0.14 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1ti6 n GLN 206 Cb 0.50 -5.56 0.00 0.00 1.02 0.00 0.00 30.24 26.20 1ti6 n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 207 N -1.63 2.15 3.51 1.08 0.00 -1.26 -5.04 105.19 104.01 1ti6 n GLY 207 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ti6 n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ti6 s ASP 208 N -3.29 3.99 0.19 1.61 1.01 -0.86 -5.06 116.67 114.26 1ti6 s ASP 208 Ca 0.00 -0.59 -0.33 0.00 0.71 0.00 0.00 52.55 52.35 1ti6 s ASP 208 Cb 0.00 -0.59 -0.12 0.00 1.01 0.00 0.00 42.92 43.22 1ti6 s ASP 208 CO 0.00 0.15 1.69 0.00 0.21 0.00 0.00 175.17 177.22 1ti6 s PHE 210 N 1.22 3.19 0.04 0.00 5.36 -0.45 -4.73 117.98 122.63 1ti6 s PHE 210 Ca 0.77 -0.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.46 1ti6 s PHE 210 Cb -0.56 -2.38 -0.06 0.00 -0.34 0.00 0.00 43.02 39.69 1ti6 s PHE 210 CO 0.34 -0.28 0.42 -2.00 -1.46 0.00 0.00 175.22 172.24 1ti6 s GLU 211 N 1.71 3.87 0.00 10.12 2.12 -1.26 -3.91 118.70 131.35 1ti6 s GLU 211 Ca 0.06 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1ti6 s GLU 211 Cb -0.16 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1ti6 s GLU 211 CO 0.09 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 1ti6 n GLY 212 N 1.39 0.72 3.76 -1.50 0.00 -0.23 -4.94 105.19 104.40 1ti6 n GLY 212 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1ti6 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 s ALA 213 N -2.33 3.37 -0.18 4.61 0.00 -1.26 -4.69 121.76 121.27 1ti6 s ALA 213 Ca 0.00 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 1ti6 s ALA 213 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1ti6 s ALA 213 CO 0.00 -0.38 0.67 0.15 0.00 0.00 0.00 175.76 176.20 1ti6 s LYS 214 N -1.77 4.24 -0.06 0.00 1.02 -0.49 -1.43 119.74 121.26 1ti6 s LYS 214 Ca 0.49 0.70 0.06 0.00 0.02 0.00 0.00 55.97 57.24 1ti6 s LYS 214 Cb -0.34 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 1ti6 s LYS 214 CO 0.43 -0.23 -0.25 0.08 -0.92 0.00 0.00 175.35 174.47 1ti6 s VAL 215 N 1.86 2.05 0.00 3.17 1.01 0.25 -1.24 120.40 127.50 1ti6 s VAL 215 Ca 0.31 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1ti6 s VAL 215 Cb -0.16 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1ti6 s VAL 215 CO 0.11 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 1ti6 s VAL 216 N -0.18 1.16 -0.17 2.92 1.01 -0.06 -1.39 120.40 123.69 1ti6 s VAL 216 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1ti6 s VAL 216 Cb -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1ti6 s VAL 216 CO 0.03 0.25 -0.11 -0.22 0.00 0.00 0.00 175.10 175.05 1ti6 s LEU 217 N -0.55 2.70 0.02 3.92 2.96 -0.11 -0.88 118.68 126.74 1ti6 s LEU 217 Ca 0.05 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1ti6 s LEU 217 Cb -0.06 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1ti6 s LEU 217 CO -0.00 0.09 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.34 1ti6 s LYS 218 N 0.83 1.71 -0.15 1.98 1.02 0.38 0.46 119.74 125.96 1ti6 s LYS 218 Ca -0.04 -0.97 -0.00 0.00 0.02 0.00 0.00 55.97 54.99 1ti6 s LYS 218 Cb -0.15 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1ti6 s LYS 218 CO 0.01 0.47 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.29 1ti6 s SER 219 N -0.99 2.66 -0.89 2.83 1.04 -0.70 -0.36 113.70 117.29 1ti6 s SER 219 Ca 0.10 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1ti6 s SER 219 Cb -0.09 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1ti6 s SER 219 CO 0.01 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1ti6 n GLY 220 N 4.86 0.98 0.00 7.32 0.00 -1.26 -2.76 105.19 114.33 1ti6 n GLY 220 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1ti6 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 221 N -1.28 2.31 3.66 -0.02 0.00 -1.26 -5.07 105.19 103.52 1ti6 n GLY 221 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1ti6 n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s LYS 222 N -0.90 3.03 0.19 1.61 -2.85 -1.11 -5.01 119.74 114.71 1ti6 s LYS 222 Ca 0.00 -0.43 -0.33 0.00 -1.00 0.00 0.00 55.97 54.21 1ti6 s LYS 222 Cb 0.00 -2.79 -0.13 0.00 -2.06 0.00 0.00 37.83 32.85 1ti6 s LYS 222 CO 0.00 0.65 1.55 -1.91 0.10 0.00 0.00 175.35 175.75 1ti6 n GLU 223 N 2.29 2.22 -0.00 1.78 2.13 -1.26 -1.72 120.64 126.09 1ti6 n GLU 223 Ca -0.18 0.80 0.02 0.00 0.66 0.00 0.00 57.16 58.46 1ti6 n GLU 223 Cb 0.53 -2.55 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 1ti6 n GLU 223 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ti6 n VAL 224 N 3.03 0.00 -3.60 6.31 0.31 0.17 -4.89 118.33 119.66 1ti6 n VAL 224 Ca 0.15 -0.22 -0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1ti6 n VAL 224 Cb 0.31 0.62 -0.02 0.00 -0.91 0.00 0.00 33.84 33.84 1ti6 n VAL 224 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ti6 s ALA 225 N -1.99 -2.06 0.08 3.52 0.00 -1.15 -5.00 121.76 115.17 1ti6 s ALA 225 Ca -0.00 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 1ti6 s ALA 225 Cb 0.03 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1ti6 s ALA 225 CO 0.19 -0.74 0.59 -1.54 0.00 0.00 0.00 175.76 174.26 1ti6 s SER 226 N -2.44 -0.54 0.11 0.00 1.04 -1.26 -0.93 113.70 109.68 1ti6 s SER 226 Ca 0.10 0.20 -0.26 0.00 0.48 0.00 0.00 55.95 56.47 1ti6 s SER 226 Cb 0.00 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.76 1ti6 s SER 226 CO -0.05 -0.82 1.08 0.00 0.98 0.00 0.00 173.24 174.44 1ti6 s ALA 227 N -2.82 -1.82 0.03 5.32 0.00 -0.49 -5.02 121.76 116.97 1ti6 s ALA 227 Ca -0.03 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1ti6 s ALA 227 Cb -0.01 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1ti6 s ALA 227 CO -0.05 -1.06 -0.19 -1.21 0.00 0.00 0.00 175.76 173.25 1ti6 s GLU 228 N -2.70 2.06 0.41 0.00 2.02 -1.26 -0.58 118.70 118.66 1ti6 s GLU 228 Ca 0.16 -0.98 -0.25 0.00 0.02 0.00 0.00 54.97 53.92 1ti6 s GLU 228 Cb -0.00 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 1ti6 s GLU 228 CO 0.02 0.54 1.25 0.95 0.02 0.00 0.00 175.26 178.04 1ti6 s THR 229 N -0.88 2.80 0.12 3.63 -4.23 -0.52 -4.81 115.64 111.76 1ti6 s THR 229 Ca 0.14 0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 61.32 1ti6 s THR 229 Cb -0.10 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.37 1ti6 s THR 229 CO 0.04 0.08 0.17 -0.46 -0.54 0.00 0.00 174.62 173.91 1ti6 n ASN 230 N 0.06 0.02 0.00 3.99 0.23 -0.58 -1.07 115.26 117.90 1ti6 n ASN 230 Ca 0.04 -1.07 0.05 0.00 -0.53 0.00 0.00 54.58 53.08 1ti6 n ASN 230 Cb 0.45 -0.13 0.27 0.00 -2.08 0.00 0.00 39.78 38.29 1ti6 n ASN 230 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1ti6 n PHE 231 N -2.20 0.00 -0.03 -2.53 -1.74 -1.26 -0.16 117.46 109.54 1ti6 n PHE 231 Ca 0.02 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.02 1ti6 n PHE 231 Cb 0.07 -0.33 0.26 0.00 1.52 0.00 0.00 39.48 41.00 1ti6 n PHE 231 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1ti6 n PHE 232 N -1.33 0.70 -1.23 2.97 3.01 -1.26 -4.76 117.46 115.56 1ti6 n PHE 232 Ca 0.05 -0.37 -0.08 0.00 1.01 0.00 0.00 57.45 58.06 1ti6 n PHE 232 Cb 0.10 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 1ti6 n PHE 232 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ti6 n GLY 233 N 1.49 0.96 3.94 1.37 0.00 0.78 -4.56 105.19 109.16 1ti6 n GLY 233 Ca 0.21 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1ti6 n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 234 N -2.42 3.37 0.05 1.61 2.02 -1.26 0.41 118.70 122.48 1ti6 s GLU 234 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.20 1ti6 s GLU 234 Cb 0.00 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1ti6 s GLU 234 CO 0.00 0.47 0.13 -0.59 0.02 0.00 0.00 175.26 175.29 1ti6 s PHE 235 N -1.89 0.17 -0.19 1.61 -0.12 -1.12 -1.53 117.98 114.91 1ti6 s PHE 235 Ca 0.34 -0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 56.69 1ti6 s PHE 235 Cb -0.10 -0.11 0.09 0.00 -0.63 0.00 0.00 43.02 42.27 1ti6 s PHE 235 CO 0.28 -0.41 0.33 0.21 -0.05 0.00 0.00 175.22 175.58 1ti6 s LYS 236 N -2.88 0.25 -0.42 1.99 2.20 -1.26 -3.12 119.74 116.51 1ti6 s LYS 236 Ca -0.03 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 1ti6 s LYS 236 Cb 0.00 -0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.15 1ti6 s LYS 236 CO -0.06 -0.43 0.28 -0.06 -0.36 0.00 0.00 175.35 174.73 1ti6 s PHE 237 N 2.49 3.27 0.45 4.03 2.99 -0.60 -4.97 117.98 125.64 1ti6 s PHE 237 Ca 0.04 -1.09 0.07 0.00 0.00 0.00 0.00 56.93 55.95 1ti6 s PHE 237 Cb -0.13 -2.79 0.07 0.00 0.00 0.00 0.00 43.02 40.17 1ti6 s PHE 237 CO -0.12 -0.74 0.59 -3.47 -0.00 0.00 0.00 175.22 171.47 1ti6 n ASP 238 N 5.04 1.74 -3.56 1.36 -0.08 -1.26 -1.87 116.55 117.92 1ti6 n ASP 238 Ca -0.11 -2.24 -0.25 0.00 -1.51 0.00 0.00 54.79 50.68 1ti6 n ASP 238 Cb 0.45 -0.29 0.06 0.00 2.34 0.00 0.00 41.12 43.67 1ti6 n ASP 238 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ti6 n ALA 239 N -2.43 -1.24 -2.71 -1.67 0.00 -1.07 -4.91 120.51 106.49 1ti6 n ALA 239 Ca -0.11 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 1ti6 n ALA 239 Cb 0.47 -4.98 -0.07 0.00 0.00 0.00 0.00 19.45 14.88 1ti6 n ALA 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ti6 s LEU 240 N -7.18 4.34 0.70 0.00 1.43 -0.09 -4.87 118.68 113.01 1ti6 s LEU 240 Ca 0.55 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1ti6 s LEU 240 Cb -0.25 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1ti6 s LEU 240 CO 0.68 0.24 1.09 -1.81 0.23 0.00 0.00 176.35 176.78 1ti6 s ASP 241 N -0.30 5.42 0.60 2.29 1.01 -1.26 -2.82 116.67 121.60 1ti6 s ASP 241 Ca 0.18 1.08 -0.18 0.00 0.71 0.00 0.00 52.55 54.33 1ti6 s ASP 241 Cb -0.14 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 1ti6 s ASP 241 CO 0.06 -1.34 1.18 0.20 0.21 0.00 0.00 175.17 175.48 1ti6 s ASN 242 N -4.37 5.23 0.00 0.27 0.01 -1.26 -4.87 114.94 109.95 1ti6 s ASN 242 Ca 0.58 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 55.04 1ti6 s ASN 242 Cb -0.11 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1ti6 s ASN 242 CO 0.51 -1.56 0.00 0.61 -1.51 0.00 0.00 177.10 175.15 1ti6 n GLY 243 N 0.33 0.02 3.69 0.66 0.00 -0.27 -4.98 105.19 104.65 1ti6 n GLY 243 Ca 0.13 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1ti6 n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ti6 s GLU 244 N -1.99 2.90 0.17 1.61 2.12 -1.26 -0.79 118.70 121.46 1ti6 s GLU 244 Ca 0.00 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1ti6 s GLU 244 Cb 0.00 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1ti6 s GLU 244 CO 0.00 0.66 0.05 0.71 -0.54 0.00 0.00 175.26 176.14 1ti6 s TYR 245 N -1.00 1.11 -0.05 5.30 1.51 0.26 -4.58 117.35 119.91 1ti6 s TYR 245 Ca 0.17 -1.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.12 1ti6 s TYR 245 Cb -0.11 -0.62 -0.00 0.00 -0.11 0.00 0.00 41.96 41.11 1ti6 s TYR 245 CO 0.07 -0.38 -0.18 0.99 -1.11 0.00 0.00 175.55 174.94 1ti6 s THR 246 N -3.86 1.47 -0.16 -0.71 2.01 0.51 -0.48 115.64 114.42 1ti6 s THR 246 Ca 0.27 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 1ti6 s THR 246 Cb 0.07 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1ti6 s THR 246 CO 0.05 0.42 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 1ti6 s VAL 247 N 0.07 3.71 -0.12 3.82 1.01 0.39 -0.47 120.40 128.82 1ti6 s VAL 247 Ca -0.05 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1ti6 s VAL 247 Cb -0.12 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ti6 s VAL 247 CO 0.03 0.49 -0.23 -1.61 0.00 0.00 0.00 175.10 173.77 1ti6 s GLU 248 N 0.51 3.01 -0.04 2.72 2.02 -0.06 -1.58 118.70 125.28 1ti6 s GLU 248 Ca -0.04 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.15 1ti6 s GLU 248 Cb -0.15 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 1ti6 s GLU 248 CO 0.03 0.09 -0.23 0.42 0.02 0.00 0.00 175.26 175.59 1ti6 s ILE 249 N 0.55 1.84 -0.16 -1.63 1.01 0.27 -0.89 121.20 122.20 1ti6 s ILE 249 Ca -0.14 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1ti6 s ILE 249 Cb -0.17 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.80 1ti6 s ILE 249 CO 0.04 0.52 0.01 -0.62 0.00 0.00 0.00 174.94 174.89 1ti6 s ASP 250 N -0.26 2.59 -0.07 3.58 -1.08 -0.37 -0.65 116.67 120.40 1ti6 s ASP 250 Ca 0.01 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1ti6 s ASP 250 Cb -0.11 -0.63 0.02 0.00 -1.46 0.00 0.00 42.92 40.74 1ti6 s ASP 250 CO 0.02 -0.26 -0.05 0.00 0.52 0.00 0.00 175.17 175.40 1ti6 s ALA 251 N 1.84 0.94 -1.42 3.66 0.00 0.44 -1.40 121.76 125.82 1ti6 s ALA 251 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1ti6 s ALA 251 Cb -0.16 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1ti6 s ALA 251 CO -0.07 -0.23 0.52 -0.25 0.00 0.00 0.00 175.76 175.73 1ti6 n ASP 252 N 4.56 -4.99 0.00 0.00 10.43 -1.26 0.05 116.55 125.35 1ti6 n ASP 252 Ca -0.16 -0.31 0.00 0.00 2.57 0.00 0.00 54.79 56.89 1ti6 n ASP 252 Cb 0.50 -4.07 0.00 0.00 1.84 0.00 0.00 41.12 39.40 1ti6 n ASP 252 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ti6 n GLY 253 N -1.34 1.88 3.75 0.44 0.00 -1.26 -4.99 105.19 103.67 1ti6 n GLY 253 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1ti6 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 254 N -0.03 4.31 0.19 1.61 1.02 0.11 -5.07 119.74 121.88 1ti6 s LYS 254 Ca 0.00 0.62 0.07 0.00 0.02 0.00 0.00 55.97 56.68 1ti6 s LYS 254 Cb 0.00 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1ti6 s LYS 254 CO 0.00 0.27 0.03 -1.54 -0.92 0.00 0.00 175.35 173.19 1ti6 s SER 255 N 0.18 4.87 -0.19 2.83 1.04 -1.26 -0.42 113.70 120.75 1ti6 s SER 255 Ca 0.29 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 56.12 1ti6 s SER 255 Cb -0.17 -1.06 0.06 0.00 0.10 0.00 0.00 66.02 64.95 1ti6 s SER 255 CO 0.14 0.06 0.57 -0.47 0.98 0.00 0.00 173.24 174.53 1ti6 s TYR 256 N -1.86 -0.61 -0.07 5.02 5.04 0.17 -4.98 117.35 120.07 1ti6 s TYR 256 Ca 0.29 1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 56.18 1ti6 s TYR 256 Cb -0.09 0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.48 1ti6 s TYR 256 CO 0.20 -0.34 0.38 -1.54 -1.34 0.00 0.00 175.55 172.91 1ti6 s SER 257 N 0.06 -0.32 0.14 4.32 1.04 -1.26 0.95 113.70 118.62 1ti6 s SER 257 Ca -0.02 0.41 -0.23 0.00 0.48 0.00 0.00 55.95 56.60 1ti6 s SER 257 Cb -0.04 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1ti6 s SER 257 CO 0.02 -0.35 0.58 -0.62 0.98 0.00 0.00 173.24 173.85 1ti6 s ASP 258 N -0.76 -0.54 0.29 7.02 2.15 -0.61 -4.98 116.67 119.24 1ti6 s ASP 258 Ca -0.08 0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.92 1ti6 s ASP 258 Cb -0.04 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.13 1ti6 s ASP 258 CO 0.03 -0.93 0.48 0.42 -0.17 0.00 0.00 175.17 175.00 1ti6 s THR 259 N -3.57 5.14 -0.09 1.71 -4.23 -1.26 -0.46 115.64 112.88 1ti6 s THR 259 Ca 0.00 -0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1ti6 s THR 259 Cb -0.01 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1ti6 s THR 259 CO -0.11 -0.39 0.22 0.54 -0.54 0.00 0.00 174.62 174.34 1ti6 s VAL 260 N -2.12 -0.02 -0.23 2.29 0.11 0.37 -4.93 120.40 115.87 1ti6 s VAL 260 Ca 0.39 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1ti6 s VAL 260 Cb -0.10 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1ti6 s VAL 260 CO 0.32 0.03 0.04 -0.69 -3.33 0.00 0.00 175.10 171.47 1ti6 s VAL 261 N 0.61 4.08 -0.32 2.04 1.01 -1.26 -0.58 120.40 125.98 1ti6 s VAL 261 Ca -0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1ti6 s VAL 261 Cb -0.05 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1ti6 s VAL 261 CO -0.03 0.37 0.20 -0.63 0.00 0.00 0.00 175.10 175.01 1ti6 s ILE 262 N 1.47 5.07 -0.48 2.22 -1.09 0.03 -4.93 121.20 123.48 1ti6 s ILE 262 Ca 0.05 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1ti6 s ILE 262 Cb -0.15 -3.56 0.20 0.00 -1.58 0.00 0.00 42.46 37.37 1ti6 s ILE 262 CO 0.02 0.06 0.46 -0.67 -1.23 0.00 0.00 174.94 173.58 1ti6 n ASP 263 N 5.06 0.76 -1.89 3.58 2.03 -1.26 -1.11 116.55 123.72 1ti6 n ASP 263 Ca -0.13 -2.72 -0.18 0.00 0.52 0.00 0.00 54.79 52.28 1ti6 n ASP 263 Cb 0.50 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.23 1ti6 n ASP 263 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ti6 n ASP 264 N 2.11 -4.98 -3.94 1.67 8.00 -1.26 -4.95 116.55 113.21 1ti6 n ASP 264 Ca 0.26 0.29 -0.10 0.00 0.71 0.00 0.00 54.79 55.95 1ti6 n ASP 264 Cb 0.46 -4.33 -0.10 0.00 -0.02 0.00 0.00 41.12 37.13 1ti6 n ASP 264 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ti6 s LYS 265 N -4.15 0.43 0.01 -1.24 1.02 -1.26 -5.05 119.74 109.50 1ti6 s LYS 265 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 1ti6 s LYS 265 Cb 0.00 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1ti6 s LYS 265 CO 0.00 -0.09 0.21 -1.12 -0.92 0.00 0.00 175.35 173.43 1ti6 s SER 266 N -1.59 6.39 -0.05 2.83 0.01 -1.26 -4.63 113.70 115.40 1ti6 s SER 266 Ca -0.13 0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.55 1ti6 s SER 266 Cb -0.07 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 1ti6 s SER 266 CO -0.01 0.23 -0.22 -0.69 0.41 0.00 0.00 173.24 172.96 1ti6 s VAL 267 N -1.38 2.34 -0.28 3.43 1.01 0.20 -4.06 120.40 121.66 1ti6 s VAL 267 Ca 0.30 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1ti6 s VAL 267 Cb -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1ti6 s VAL 267 CO 0.21 0.57 0.02 -0.62 0.00 0.00 0.00 175.10 175.28 1ti6 s ASP 268 N -0.38 4.80 0.00 3.32 2.15 -1.26 -0.84 116.67 124.45 1ti6 s ASP 268 Ca 0.03 -0.86 0.27 0.00 0.43 0.00 0.00 52.55 52.42 1ti6 s ASP 268 Cb -0.12 -1.78 1.26 0.00 -0.30 0.00 0.00 42.92 41.98 1ti6 s ASP 268 CO 0.02 -0.18 1.90 0.18 -0.17 0.00 0.00 175.17 176.91 1ti6 n LEU 269 N 4.76 0.00 0.00 -1.34 4.77 -0.15 -4.98 117.00 120.06 1ti6 n LEU 269 Ca -0.15 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ti6 n LEU 269 Cb 0.47 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ti6 n LEU 269 CO 0.29 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1ti6 n GLY 270 N 1.15 -1.33 3.70 -0.72 0.00 -1.26 -4.78 105.19 101.96 1ti6 n GLY 270 Ca 0.10 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1ti6 n GLY 270 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti6 s PHE 271 N 0.00 3.61 -0.40 1.61 0.40 -1.26 -1.91 117.98 120.02 1ti6 s PHE 271 Ca 0.00 1.66 -0.09 0.00 -0.60 0.00 0.00 56.93 57.89 1ti6 s PHE 271 Cb 0.00 -3.14 0.07 0.00 0.51 0.00 0.00 43.02 40.45 1ti6 s PHE 271 CO 0.00 -0.08 0.24 0.42 0.70 0.00 0.00 175.22 176.50 1ti6 s ILE 272 N 1.36 4.29 -0.52 0.64 1.01 0.10 -4.95 121.20 123.13 1ti6 s ILE 272 Ca 0.51 -1.26 -0.23 0.00 0.00 0.00 0.00 60.65 59.66 1ti6 s ILE 272 Cb -0.20 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1ti6 s ILE 272 CO 0.24 -0.43 0.84 -0.54 0.00 0.00 0.00 174.94 175.06 1ti6 s LYS 273 N 1.45 3.30 0.00 2.79 1.02 -1.26 -0.78 119.74 126.27 1ti6 s LYS 273 Ca 0.02 -0.36 0.14 0.00 0.02 0.00 0.00 55.97 55.79 1ti6 s LYS 273 Cb -0.22 -4.04 0.11 0.00 -0.52 0.00 0.00 37.83 33.16 1ti6 s LYS 273 CO 0.03 -1.36 0.94 1.28 -0.92 0.00 0.00 175.35 175.32