#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 4.36 0.29 2.12 2.12 -1.26 -4.85 118.70 121.48 1ti6 s GLU 2 Ca 0.00 2.11 0.10 0.00 0.36 0.00 0.00 54.97 57.54 1ti6 s GLU 2 Cb 0.00 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 1ti6 s GLU 2 CO 0.00 -0.28 -0.05 -0.65 -0.54 0.00 0.00 175.26 173.74 1ti6 s GLN 3 N -0.20 2.08 0.10 4.30 -0.21 -0.19 -4.59 119.66 120.96 1ti6 s GLN 3 Ca 0.57 -1.59 -0.15 0.00 0.02 0.00 0.00 55.36 54.21 1ti6 s GLN 3 Cb -0.38 -2.00 -0.07 0.00 1.00 0.00 0.00 33.01 31.56 1ti6 s GLN 3 CO 0.39 0.29 0.51 0.71 -2.12 0.00 0.00 175.29 175.08 1ti6 s TYR 4 N -2.42 3.66 0.04 0.91 1.51 -0.46 -1.33 117.35 119.26 1ti6 s TYR 4 Ca 0.32 1.06 -0.06 0.00 -1.01 0.00 0.00 57.07 57.37 1ti6 s TYR 4 Cb -0.04 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 1ti6 s TYR 4 CO 0.19 0.50 0.12 0.71 -1.11 0.00 0.00 175.55 175.96 1ti6 s TYR 5 N -1.33 0.17 -0.03 2.71 1.51 0.26 -4.90 117.35 115.74 1ti6 s TYR 5 Ca 0.33 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1ti6 s TYR 5 Cb -0.16 -0.12 0.01 0.00 -0.11 0.00 0.00 41.96 41.58 1ti6 s TYR 5 CO 0.18 -0.39 -0.06 1.41 -1.11 0.00 0.00 175.55 175.58 1ti6 s MET 6 N -2.68 0.78 -0.16 -0.62 1.75 -0.70 -1.72 119.30 115.95 1ti6 s MET 6 Ca -0.04 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1ti6 s MET 6 Cb -0.01 -0.76 0.01 0.00 2.84 0.00 0.00 34.83 36.91 1ti6 s MET 6 CO -0.05 0.02 -0.18 0.08 -0.65 0.00 0.00 175.02 174.25 1ti6 s VAL 7 N 0.45 2.39 -0.22 10.11 1.01 -0.03 0.19 120.40 134.31 1ti6 s VAL 7 Ca -0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ti6 s VAL 7 Cb -0.10 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ti6 s VAL 7 CO 0.00 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.93 1ti6 s ILE 8 N 0.97 3.13 -0.60 2.22 1.01 0.53 -0.76 121.20 127.70 1ti6 s ILE 8 Ca -0.03 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1ti6 s ILE 8 Cb -0.15 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 39.96 1ti6 s ILE 8 CO -0.04 0.43 0.90 -0.62 0.00 0.00 0.00 174.94 175.61 1ti6 s ASP 9 N 1.44 6.23 0.29 3.58 -1.08 -0.42 -0.79 116.67 125.92 1ti6 s ASP 9 Ca 0.05 -0.81 -0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1ti6 s ASP 9 Cb -0.14 -2.40 0.49 0.00 -1.46 0.00 0.00 42.92 39.41 1ti6 s ASP 9 CO -0.05 -1.28 1.91 0.58 0.52 0.00 0.00 175.17 176.85 1ti6 h VAL 10 N 5.97 1.09 0.00 1.11 2.07 -1.54 -1.22 116.25 123.72 1ti6 h VAL 10 Ca -0.28 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ti6 h VAL 10 Cb 1.08 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1ti6 h VAL 10 CO 1.12 0.20 0.00 0.00 0.02 0.00 0.00 177.57 178.90 1ti6 n ALA 11 N -2.39 1.08 0.66 1.67 0.00 -1.26 -1.89 120.51 118.37 1ti6 n ALA 11 Ca 0.14 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.82 1ti6 n ALA 11 Cb 0.18 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.39 1ti6 n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ti6 n LYS 12 N -2.16 1.38 -2.51 0.00 5.02 -0.47 -4.98 118.16 114.44 1ti6 n LYS 12 Ca -0.01 -1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 54.64 1ti6 n LYS 12 Cb 0.04 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 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 2.82 0.38 -3.30 0.00 10.64 -1.26 -4.57 117.38 122.09 1ti6 n GLN 14 Ca 0.04 -0.90 -0.22 0.00 -1.83 0.00 0.00 57.00 54.10 1ti6 n GLN 14 Cb 0.47 -1.03 0.06 0.00 -0.86 0.00 0.00 30.24 28.87 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 -0.05 -6.04 0.07 2.61 4.64 -1.26 -4.88 116.55 111.64 1ti6 n ASP 15 Ca 0.01 -0.41 0.13 0.00 -1.38 0.00 0.00 54.79 53.14 1ti6 n ASP 15 Cb 0.11 -4.74 0.48 0.00 -1.04 0.00 0.00 41.12 35.93 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 -1.98 -4.40 0.20 0.00 3.02 -1.26 -4.92 115.26 105.93 1ti6 n ASN 17 Ca 0.06 0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.80 1ti6 n ASN 17 Cb 0.37 -3.35 0.49 0.00 -0.61 0.00 0.00 39.78 36.68 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 0.05 0.59 6.41 4.21 -1.91 -1.83 115.58 123.09 1ti6 h ASN 18 Ca -0.30 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.17 1ti6 h ASN 18 Cb 1.07 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1ti6 h ASN 18 CO 0.39 0.20 -0.28 0.00 -1.29 0.00 0.00 177.43 176.45 1ti6 h PHE 20 N -0.88 -0.33 0.00 0.00 3.57 -1.87 1.20 116.94 118.62 1ti6 h PHE 20 Ca -0.08 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1ti6 h PHE 20 Cb 0.61 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1ti6 h PHE 20 CO 0.07 -0.24 -0.01 0.52 -2.23 0.00 0.00 178.31 176.41 1ti6 h MET 21 N -0.02 0.00 -0.15 1.11 2.86 -1.36 -2.24 114.93 115.13 1ti6 h MET 21 Ca 0.25 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1ti6 h MET 21 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1ti6 h MET 21 CO -0.55 0.01 0.01 0.78 1.06 0.00 0.00 176.91 178.22 1ti6 h GLY 22 N 0.04 0.27 0.94 8.32 0.00 0.26 -1.56 103.07 111.34 1ti6 h GLY 22 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1ti6 h GLY 22 CO 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 176.54 176.28 1ti6 h MET 24 N -1.29 0.05 -0.78 0.00 2.86 -1.58 2.89 114.93 117.08 1ti6 h MET 24 Ca -0.12 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ti6 h MET 24 Cb 0.93 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1ti6 h MET 24 CO 0.20 0.03 0.51 0.22 1.06 0.00 0.00 176.91 178.94 1ti6 h ASP 25 N 0.05 0.82 0.67 1.22 -0.00 -1.11 0.17 116.42 118.24 1ti6 h ASP 25 Ca 0.47 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.03 57.24 1ti6 h ASP 25 Cb 0.86 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.33 39.96 1ti6 h ASP 25 CO -0.81 0.57 -1.46 -0.08 -0.00 0.00 0.00 179.24 177.46 1ti6 h GLU 26 N 0.96 0.00 0.00 0.28 4.57 0.37 -3.43 114.58 117.33 1ti6 h GLU 26 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1ti6 h GLU 26 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ti6 h GLU 26 CO -0.09 0.59 -0.95 0.72 -1.18 0.00 0.00 179.01 178.09 1ti6 n HIS 27 N -3.10 0.00 -0.14 0.92 8.25 0.83 -4.43 115.22 117.54 1ti6 n HIS 27 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.24 1ti6 n HIS 27 Cb 0.99 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 32.07 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 0.80 -0.12 -0.41 4.22 -0.80 0.46 114.58 118.73 1ti6 h GLU 28 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1ti6 h GLU 28 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ti6 h GLU 28 CO 0.00 0.92 0.00 1.28 -2.18 0.00 0.00 179.01 179.03 1ti6 n LEU 29 N -4.32 2.39 -4.47 1.64 4.77 -1.26 -4.29 117.00 111.46 1ti6 n LEU 29 Ca -0.01 -1.26 -0.26 0.00 -0.03 0.00 0.00 56.01 54.45 1ti6 n LEU 29 Cb 0.36 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1ti6 n LEU 29 CO 0.43 0.49 -0.49 0.20 -1.33 0.00 0.00 177.39 176.69 1ti6 s ASN 30 N -1.10 3.67 -0.03 -1.43 0.01 -1.24 -5.07 114.94 109.75 1ti6 s ASN 30 Ca 0.19 -0.82 0.04 0.00 -0.71 0.00 0.00 52.86 51.57 1ti6 s ASN 30 Cb 0.12 -0.38 -0.00 0.00 0.41 0.00 0.00 41.25 41.40 1ti6 s ASN 30 CO 0.18 0.10 -0.16 -1.61 -1.51 0.00 0.00 177.10 174.10 1ti6 s GLU 31 N -2.84 1.61 -0.43 -0.60 2.02 -1.26 -3.67 118.70 113.54 1ti6 s GLU 31 Ca 0.23 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.68 1ti6 s GLU 31 Cb -0.08 -1.44 0.12 0.00 0.10 0.00 0.00 34.13 32.83 1ti6 s GLU 31 CO 0.12 0.26 0.16 -1.58 0.02 0.00 0.00 175.26 174.24 1ti6 s TRP 32 N -0.04 3.32 -0.03 1.61 0.52 -0.31 -5.00 118.94 119.01 1ti6 s TRP 32 Ca -0.01 -3.02 -0.39 0.00 0.02 0.00 0.00 56.10 52.70 1ti6 s TRP 32 Cb -0.10 -2.78 -0.18 0.00 -1.15 0.00 0.00 33.47 29.26 1ti6 s TRP 32 CO 0.01 -0.84 1.30 -2.30 0.02 0.00 0.00 176.95 175.15 1ti6 n PRO 33 N 3.67 0.65 0.00 4.98 -0.02 -1.26 -0.59 135.00 142.43 1ti6 n PRO 33 Ca 0.05 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1ti6 n PRO 33 Cb 0.37 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.43 3.12 0.47 -1.23 0.00 -1.26 -4.80 105.19 103.92 1ti6 n GLY 34 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.27 0.00 -3.49 1.61 4.02 0.24 -4.71 117.16 113.56 1ti6 n TYR 35 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1ti6 n TYR 35 Cb 0.00 -0.26 -0.04 0.00 -0.02 0.00 0.00 39.34 39.02 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 -2.36 0.00 0.66 -0.72 -1.32 -0.61 -4.47 115.64 106.81 1ti6 s THR 36 Ca -0.15 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.24 1ti6 s THR 36 Cb 0.02 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.16 1ti6 s THR 36 CO 0.23 0.00 0.90 0.00 -2.21 0.00 0.00 174.62 173.53 1ti6 n ALA 37 N 0.31 -0.73 -1.73 11.08 0.00 -1.26 -1.16 120.51 127.03 1ti6 n ALA 37 Ca -0.16 -1.32 -0.35 0.00 0.00 0.00 0.00 53.44 51.61 1ti6 n ALA 37 Cb 0.60 0.03 0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 -4.37 5.28 0.49 0.00 1.04 -1.24 -4.71 113.70 110.19 1ti6 s SER 38 Ca 0.53 2.31 -0.20 0.00 0.48 0.00 0.00 55.95 59.07 1ti6 s SER 38 Cb -0.02 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 1ti6 s SER 38 CO 0.37 -1.53 1.04 -0.32 0.98 0.00 0.00 173.24 173.78 1ti6 s MET 39 N -3.39 3.77 -0.20 4.02 1.75 0.16 -4.96 119.30 120.45 1ti6 s MET 39 Ca 0.75 1.35 -0.13 0.00 -1.25 0.00 0.00 55.69 56.41 1ti6 s MET 39 Cb -0.28 -2.09 -0.05 0.00 2.84 0.00 0.00 34.83 35.25 1ti6 s MET 39 CO 0.32 -0.46 0.27 -1.14 -0.65 0.00 0.00 175.02 173.36 1ti6 s GLN 40 N -3.30 4.17 0.21 4.11 0.74 -1.26 -4.57 119.66 119.77 1ti6 s GLN 40 Ca 0.67 -0.01 -0.32 0.00 0.05 0.00 0.00 55.36 55.75 1ti6 s GLN 40 Cb -0.16 -3.49 -0.15 0.00 1.10 0.00 0.00 33.01 30.31 1ti6 s GLN 40 CO 0.21 0.12 1.25 0.54 -0.55 0.00 0.00 175.29 176.86 1ti6 n ARG 41 N 4.03 1.54 0.00 1.67 1.74 -1.26 -1.65 116.66 122.72 1ti6 n ARG 41 Ca -0.12 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1ti6 n ARG 41 Cb 0.52 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 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 1.99 2.26 3.78 -0.13 0.00 -1.26 -5.07 105.19 106.76 1ti6 n GLY 42 Ca 0.13 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 2.70 -0.51 1.61 3.76 -0.66 -5.02 115.29 115.09 1ti6 s HIS 43 Ca 0.00 1.54 0.06 0.00 -0.15 0.00 0.00 55.06 56.51 1ti6 s HIS 43 Cb 0.00 -3.12 0.23 0.00 1.11 0.00 0.00 32.58 30.80 1ti6 s HIS 43 CO 0.00 -1.58 0.58 0.54 -0.85 0.00 0.00 174.74 173.43 1ti6 n ARG 44 N -2.43 1.40 -0.11 1.40 1.74 -1.26 -4.89 116.66 112.51 1ti6 n ARG 44 Ca 0.10 -3.86 0.14 0.00 -0.77 0.00 0.00 57.85 53.46 1ti6 n ARG 44 Cb 0.52 -1.75 0.53 0.00 -1.02 0.00 0.00 32.46 30.74 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 4.42 0.40 -3.63 -1.55 4.06 -1.93 -3.18 115.95 114.54 1ti6 h TRP 45 Ca 0.15 0.01 -0.70 0.00 2.06 0.00 0.00 58.89 60.42 1ti6 h TRP 45 Cb 0.79 -0.13 -0.31 0.00 -1.00 0.00 0.00 29.16 28.52 1ti6 h TRP 45 CO 0.51 0.17 -0.60 1.41 -3.56 0.00 0.00 178.44 176.38 1ti6 s MET 46 N -5.35 2.45 -0.35 0.49 -2.45 -1.26 -4.14 119.30 108.68 1ti6 s MET 46 Ca -0.07 -1.37 -0.06 0.00 -1.25 0.00 0.00 55.69 52.94 1ti6 s MET 46 Cb 0.20 -3.46 0.05 0.00 1.25 0.00 0.00 34.83 32.87 1ti6 s MET 46 CO 0.75 -0.78 0.13 1.21 1.05 0.00 0.00 175.02 177.39 1ti6 s ASN 47 N 1.56 5.34 -0.65 1.11 3.84 -0.26 -4.84 114.94 121.03 1ti6 s ASN 47 Ca -0.00 -1.27 -0.22 0.00 0.21 0.00 0.00 52.86 51.58 1ti6 s ASN 47 Cb -0.21 -1.88 0.07 0.00 -0.55 0.00 0.00 41.25 38.69 1ti6 s ASN 47 CO 0.00 -0.37 0.95 -0.63 -2.79 0.00 0.00 177.10 174.26 1ti6 s ILE 48 N 1.38 4.34 0.37 -5.21 1.01 -1.26 -0.32 121.20 121.51 1ti6 s ILE 48 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 1ti6 s ILE 48 Cb -0.20 -4.67 -0.09 0.00 0.01 0.00 0.00 42.46 37.50 1ti6 s ILE 48 CO 0.02 -1.44 1.05 -1.61 0.00 0.00 0.00 174.94 172.96 1ti6 s GLU 49 N 4.01 4.27 -0.06 2.79 0.41 -0.90 -4.85 118.70 124.36 1ti6 s GLU 49 Ca 0.22 1.55 0.04 0.00 -0.41 0.00 0.00 54.97 56.37 1ti6 s GLU 49 Cb -0.17 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1ti6 s GLU 49 CO 0.10 -0.06 -0.17 1.03 -0.49 0.00 0.00 175.26 175.67 1ti6 s ARG 50 N -2.29 1.97 -0.05 1.61 0.52 -1.26 -0.88 118.95 118.56 1ti6 s ARG 50 Ca 0.55 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1ti6 s ARG 50 Cb -0.24 -1.63 0.03 0.00 0.52 0.00 0.00 34.95 33.64 1ti6 s ARG 50 CO 0.30 0.17 0.08 0.50 0.02 0.00 0.00 175.30 176.37 1ti6 s ARG 51 N 0.27 -0.05 0.20 3.54 3.52 -0.73 -5.03 118.95 120.66 1ti6 s ARG 51 Ca -0.09 0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 55.76 1ti6 s ARG 51 Cb -0.14 -0.53 -0.07 0.00 -1.56 0.00 0.00 34.95 32.65 1ti6 s ARG 51 CO 0.04 -0.34 0.59 -1.21 -0.81 0.00 0.00 175.30 173.56 1ti6 s GLU 52 N 2.19 3.96 0.06 5.12 2.02 -1.26 -2.02 118.70 128.77 1ti6 s GLU 52 Ca 0.05 0.49 0.05 0.00 0.02 0.00 0.00 54.97 55.58 1ti6 s GLU 52 Cb -0.12 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1ti6 s GLU 52 CO -0.04 0.39 -0.14 1.03 0.02 0.00 0.00 175.26 176.52 1ti6 s ARG 53 N -2.31 0.85 1.78 1.61 0.52 0.12 -4.97 118.95 116.55 1ti6 s ARG 53 Ca 0.43 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1ti6 s ARG 53 Cb -0.14 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1ti6 s ARG 53 CO 0.20 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1ti6 n GLY 54 N 1.52 -1.39 2.97 -3.53 0.00 -1.26 -0.92 105.19 102.59 1ti6 n GLY 54 Ca -0.20 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 0.15 0.30 2.61 -4.23 -1.26 -4.85 115.64 108.36 1ti6 s THR 55 Ca 0.00 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 59.43 1ti6 s THR 55 Cb 0.00 -0.27 -0.14 0.00 1.34 0.00 0.00 72.50 73.43 1ti6 s THR 55 CO 0.00 -0.41 1.05 0.00 -0.54 0.00 0.00 174.62 174.72 1ti6 n TYR 56 N 1.80 1.42 -0.19 3.99 9.36 -1.26 -1.41 117.16 130.86 1ti6 n TYR 56 Ca -0.22 0.68 0.10 0.00 3.32 0.00 0.00 57.90 61.78 1ti6 n TYR 56 Cb 0.56 -2.27 0.30 0.00 -0.63 0.00 0.00 39.34 37.30 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 0.70 2.75 -2.10 2.98 -0.04 -1.26 -4.90 135.00 133.13 1ti6 n PRO 57 Ca 0.09 -2.45 -0.30 0.00 -0.04 0.00 0.00 63.50 60.80 1ti6 n PRO 57 Cb 0.33 -1.59 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 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 1.37 3.24 -2.92 0.54 1.74 -0.50 -5.02 116.66 115.11 1ti6 n ARG 58 Ca 0.23 -4.06 -0.18 0.00 -0.77 0.00 0.00 57.85 53.07 1ti6 n ARG 58 Cb 0.62 -2.27 0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.81 5.44 0.35 0.55 2.20 -1.17 -4.40 114.94 115.11 1ti6 s ASN 59 Ca 0.52 -0.40 -0.16 0.00 -0.94 0.00 0.00 52.86 51.88 1ti6 s ASN 59 Cb 0.43 -0.53 0.04 0.00 -2.00 0.00 0.00 41.25 39.18 1ti6 s ASN 59 CO -0.16 -0.97 0.74 1.51 -2.94 0.00 0.00 177.10 175.28 1ti6 s ASP 60 N -4.43 0.01 -0.12 3.54 1.47 -0.10 -4.98 116.67 112.07 1ti6 s ASP 60 Ca 0.57 -1.04 -0.17 0.00 1.18 0.00 0.00 52.55 53.09 1ti6 s ASP 60 Cb -0.09 0.80 0.04 0.00 -0.34 0.00 0.00 42.92 43.33 1ti6 s ASP 60 CO 0.35 -1.57 0.43 -0.51 0.68 0.00 0.00 175.17 174.56 1ti6 s ILE 61 N -2.79 0.01 0.05 2.11 2.07 -1.26 0.12 121.20 121.51 1ti6 s ILE 61 Ca 0.16 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1ti6 s ILE 61 Cb -0.05 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.86 1ti6 s ILE 61 CO 0.11 -0.06 -0.05 0.20 -1.91 0.00 0.00 174.94 173.23 1ti6 s ASN 62 N -0.26 0.60 0.13 4.50 0.01 -0.86 -5.01 114.94 114.06 1ti6 s ASN 62 Ca -0.04 -0.73 0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1ti6 s ASN 62 Cb -0.03 0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.70 1ti6 s ASN 62 CO 0.02 -0.38 -0.25 -0.31 -1.51 0.00 0.00 177.10 174.67 1ti6 s TYR 63 N -2.45 2.16 -0.37 2.20 1.51 -1.26 -1.78 117.35 117.36 1ti6 s TYR 63 Ca -0.04 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1ti6 s TYR 63 Cb -0.03 -1.15 0.11 0.00 -0.11 0.00 0.00 41.96 40.78 1ti6 s TYR 63 CO -0.04 0.33 0.14 0.50 -1.11 0.00 0.00 175.55 175.37 1ti6 s ARG 64 N -2.15 1.10 0.11 -0.62 3.52 -0.06 -4.73 118.95 116.12 1ti6 s ARG 64 Ca 0.13 -1.59 -0.31 0.00 -0.13 0.00 0.00 55.73 53.83 1ti6 s ARG 64 Cb -0.09 -2.40 -0.10 0.00 -1.56 0.00 0.00 34.95 30.79 1ti6 s ARG 64 CO 0.06 -1.04 1.84 -2.14 -0.81 0.00 0.00 175.30 173.22 1ti6 s PRO 65 N 1.00 4.14 -0.38 5.12 0.02 -1.26 -2.11 135.00 141.53 1ti6 s PRO 65 Ca 0.13 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.76 1ti6 s PRO 65 Cb -0.20 -3.67 0.11 0.00 0.02 0.00 0.00 34.50 30.76 1ti6 s PRO 65 CO -0.13 -0.85 0.13 0.99 -0.33 0.00 0.00 177.00 176.80 1ti6 s THR 66 N 2.97 1.84 0.00 0.99 2.01 0.56 -4.95 115.64 119.05 1ti6 s THR 66 Ca 0.82 -2.30 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1ti6 s THR 66 Cb -0.45 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1ti6 s THR 66 CO 0.37 -0.70 0.00 -0.81 -0.69 0.00 0.00 174.62 172.79 1ti6 n PRO 67 N 4.11 3.29 -2.83 4.92 -0.04 -1.26 -1.11 135.00 142.09 1ti6 n PRO 67 Ca 0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.14 1ti6 n PRO 67 Cb 0.39 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.79 1ti6 n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ti6 h MET 69 N 2.53 0.00 -6.88 0.00 0.00 -1.96 -3.46 114.93 105.16 1ti6 h MET 69 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 59.70 58.64 1ti6 h MET 69 Cb 1.19 0.00 -0.21 0.00 0.00 0.00 0.00 31.60 32.58 1ti6 h MET 69 CO 0.63 0.00 -0.90 0.72 0.00 0.00 0.00 176.91 177.36 1ti6 n HIS 70 N -2.70 -1.45 -1.82 -0.22 8.25 -1.26 -1.51 115.22 114.51 1ti6 n HIS 70 Ca 0.03 0.71 -0.38 0.00 -0.26 0.00 0.00 57.72 57.82 1ti6 n HIS 70 Cb 0.50 -2.88 0.04 0.00 1.12 0.00 0.00 29.99 28.77 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 1.48 0.00 -2.28 0.00 5.08 0.23 -2.97 114.58 116.13 1ti6 h GLU 72 Ca -0.51 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.22 1ti6 h GLU 72 Cb 1.30 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.15 1ti6 h GLU 72 CO 0.57 0.12 -0.35 -1.71 -1.00 0.00 0.00 179.01 176.64 1ti6 n ASN 73 N -3.97 4.95 -4.63 1.42 4.05 0.14 -5.02 115.26 112.21 1ti6 n ASN 73 Ca -0.02 -3.68 -0.43 0.00 0.45 0.00 0.00 54.58 50.90 1ti6 n ASN 73 Cb 0.21 -0.67 -0.03 0.00 1.23 0.00 0.00 39.78 40.52 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 -3.57 3.10 0.33 5.20 0.00 -1.12 -4.55 121.76 121.15 1ti6 s ALA 74 Ca 0.47 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ti6 s ALA 74 Cb 0.26 -3.96 0.58 0.00 0.00 0.00 0.00 23.12 20.00 1ti6 s ALA 74 CO -0.13 -2.25 1.96 -1.35 0.00 0.00 0.00 175.76 173.99 1ti6 h PRO 75 N 12.87 0.92 0.00 0.00 0.11 -1.92 -2.44 132.00 141.54 1ti6 h PRO 75 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ti6 h PRO 75 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ti6 h PRO 75 CO 0.96 0.61 -0.00 0.00 -0.21 0.00 0.00 178.00 179.36 1ti6 h VAL 77 N 0.00 1.36 -0.19 0.00 2.07 -1.70 0.28 116.25 118.07 1ti6 h VAL 77 Ca 0.00 -2.91 -0.16 0.00 0.82 0.00 0.00 66.70 64.45 1ti6 h VAL 77 Cb 0.62 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1ti6 h VAL 77 CO 0.00 0.86 -0.56 0.00 0.02 0.00 0.00 177.57 177.89 1ti6 h ALA 78 N 0.44 0.67 -0.37 1.67 0.00 -1.28 -3.21 119.26 117.17 1ti6 h ALA 78 Ca -0.19 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1ti6 h ALA 78 Cb 2.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ti6 h ALA 78 CO 0.21 0.69 0.00 1.63 0.00 0.00 0.00 179.25 181.79 1ti6 n LYS 79 N -3.95 2.39 0.00 0.00 5.02 0.02 -4.49 118.16 117.14 1ti6 n LYS 79 Ca -0.03 -2.08 0.13 0.00 -2.02 0.00 0.00 58.31 54.31 1ti6 n LYS 79 Cb 0.61 -1.37 0.46 0.00 -0.02 0.00 0.00 35.03 34.71 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 0.96 -1.32 4.07 0.72 0.00 0.99 -4.94 105.19 105.67 1ti6 n GLY 80 Ca 0.15 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.43 -3.48 0.00 1.61 2.85 -1.26 -0.58 115.26 112.97 1ti6 n ASN 81 Ca 0.07 -0.92 0.00 0.00 -0.11 0.00 0.00 54.58 53.62 1ti6 n ASN 81 Cb 0.33 -3.23 0.00 0.00 1.24 0.00 0.00 39.78 38.12 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 -1.57 1.44 0.25 8.20 0.00 -1.26 -4.90 105.19 107.35 1ti6 n GLY 82 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ti6 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ALA 83 N 0.00 1.01 -4.09 4.61 0.00 -1.14 -3.43 119.26 116.22 1ti6 h ALA 83 Ca 0.00 -0.10 -0.45 0.00 0.00 0.00 0.00 54.91 54.36 1ti6 h ALA 83 Cb 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.48 1ti6 h ALA 83 CO 0.00 0.14 -0.80 0.08 0.00 0.00 0.00 179.25 178.67 1ti6 s VAL 84 N -3.62 0.95 0.21 0.00 1.01 -1.26 -0.44 120.40 117.25 1ti6 s VAL 84 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ti6 s VAL 84 Cb 0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ti6 s VAL 84 CO 0.60 0.27 0.02 -0.72 0.00 0.00 0.00 175.10 175.27 1ti6 s TYR 85 N -0.22 1.39 -0.14 5.22 1.13 -0.08 -4.61 117.35 120.04 1ti6 s TYR 85 Ca 0.03 -1.03 0.01 0.00 -1.41 0.00 0.00 57.07 54.67 1ti6 s TYR 85 Cb -0.05 -0.80 -0.00 0.00 -1.10 0.00 0.00 41.96 40.01 1ti6 s TYR 85 CO -0.00 -0.19 -0.17 -1.14 -2.51 0.00 0.00 175.55 171.53 1ti6 s GLN 86 N -3.93 3.19 0.65 -3.49 0.74 -1.26 -0.82 119.66 114.73 1ti6 s GLN 86 Ca 0.28 -0.77 -0.07 0.00 0.05 0.00 0.00 55.36 54.85 1ti6 s GLN 86 Cb 0.06 -2.55 0.02 0.00 1.10 0.00 0.00 33.01 31.64 1ti6 s GLN 86 CO 0.08 0.06 0.98 1.03 -0.55 0.00 0.00 175.29 176.88 1ti6 s ARG 87 N 0.69 2.74 0.50 1.67 0.52 -0.34 -4.97 118.95 119.76 1ti6 s ARG 87 Ca -0.08 0.06 0.23 0.00 -0.52 0.00 0.00 55.73 55.42 1ti6 s ARG 87 Cb -0.16 -2.19 1.31 0.00 0.52 0.00 0.00 34.95 34.44 1ti6 s ARG 87 CO 0.02 -0.91 2.05 0.93 0.02 0.00 0.00 175.30 177.41 1ti6 h GLU 88 N -0.39 0.00 -0.07 3.54 5.08 -1.98 -1.72 114.58 119.04 1ti6 h GLU 88 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ti6 h GLU 88 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ti6 h GLU 88 CO 0.61 0.14 0.00 -0.40 -1.00 0.00 0.00 179.01 178.36 1ti6 n ASP 89 N -3.89 0.68 0.00 1.42 3.85 -1.26 -4.80 116.55 112.55 1ti6 n ASP 89 Ca -0.02 -1.53 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 1ti6 n ASP 89 Cb 0.23 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 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 0.93 3.37 3.69 6.12 0.00 -0.65 -1.35 105.19 117.30 1ti6 n GLY 90 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.73 2.96 -0.24 -0.61 1.01 -1.26 -4.69 121.20 115.64 1ti6 s ILE 91 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.88 1ti6 s ILE 91 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1ti6 s ILE 91 CO 0.00 -0.01 0.33 -0.69 0.00 0.00 0.00 174.94 174.57 1ti6 s VAL 92 N 2.87 5.22 0.04 2.92 1.01 -1.26 -1.20 120.40 130.01 1ti6 s VAL 92 Ca 0.76 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.32 1ti6 s VAL 92 Cb -0.41 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1ti6 s VAL 92 CO 0.34 0.23 -0.18 -0.76 0.00 0.00 0.00 175.10 174.72 1ti6 s LEU 93 N 1.64 2.17 0.12 3.92 1.43 0.00 -4.82 118.68 123.14 1ti6 s LEU 93 Ca 0.14 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 1ti6 s LEU 93 Cb -0.15 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 1ti6 s LEU 93 CO 0.08 0.10 0.68 -0.63 0.23 0.00 0.00 176.35 176.81 1ti6 s ILE 94 N -0.83 4.56 -0.51 -0.59 1.01 -1.26 -0.90 121.20 122.68 1ti6 s ILE 94 Ca 0.05 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.91 1ti6 s ILE 94 Cb -0.08 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1ti6 s ILE 94 CO 0.02 0.53 1.01 -0.62 0.00 0.00 0.00 174.94 175.88 1ti6 s ASP 95 N -1.09 6.46 0.59 3.58 -1.08 0.42 -4.90 116.67 120.66 1ti6 s ASP 95 Ca 0.33 0.03 0.29 0.00 -0.52 0.00 0.00 52.55 52.68 1ti6 s ASP 95 Cb -0.21 -2.48 1.27 0.00 -1.46 0.00 0.00 42.92 40.04 1ti6 s ASP 95 CO 0.23 -1.20 1.64 -0.65 0.52 0.00 0.00 175.17 175.70 1ti6 h PRO 96 N 9.25 0.00 0.00 4.34 0.11 -1.84 -1.50 132.00 142.35 1ti6 h PRO 96 Ca -0.25 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.56 1ti6 h PRO 96 Cb 1.07 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1ti6 h PRO 96 CO 1.09 0.00 -1.98 0.39 -0.21 0.00 0.00 178.00 177.29 1ti6 n GLU 97 N -3.54 0.57 0.28 1.05 -0.58 -1.26 -4.29 120.64 112.86 1ti6 n GLU 97 Ca 0.17 0.26 0.19 0.00 -0.42 0.00 0.00 57.16 57.36 1ti6 n GLU 97 Cb 1.10 -1.49 0.94 0.00 -0.57 0.00 0.00 31.44 31.42 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 -1.00 0.00 0.00 3.49 1.57 -1.86 -2.40 116.57 116.37 1ti6 h LYS 98 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1ti6 h LYS 98 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1ti6 h LYS 98 CO -0.28 0.00 -0.72 0.00 -0.57 0.00 0.00 179.45 177.88 1ti6 n ALA 99 N -2.00 3.19 -1.63 3.86 0.00 -0.58 -4.75 120.51 118.60 1ti6 n ALA 99 Ca -0.02 -0.32 -0.49 0.00 0.00 0.00 0.00 53.44 52.62 1ti6 n ALA 99 Cb 0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1ti6 n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ti6 n LYS 100 N -1.95 1.65 -0.77 0.00 5.02 -0.90 -1.63 118.16 119.57 1ti6 n LYS 100 Ca 0.03 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1ti6 n LYS 100 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 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 3.02 0.90 3.26 0.72 0.00 -0.01 -4.99 105.19 108.09 1ti6 n GLY 101 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.23 3.67 0.44 1.61 1.02 -0.65 -4.85 119.74 120.75 1ti6 s LYS 102 Ca 0.00 -2.94 0.22 0.00 0.02 0.00 0.00 55.97 53.28 1ti6 s LYS 102 Cb 0.00 -4.31 1.02 0.00 -0.52 0.00 0.00 37.83 34.02 1ti6 s LYS 102 CO 0.00 -1.25 1.89 0.87 -0.92 0.00 0.00 175.35 175.94 1ti6 h LYS 103 N 6.90 0.00 0.00 1.68 1.57 -1.94 -3.04 116.57 121.74 1ti6 h LYS 103 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ti6 h LYS 103 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1ti6 h LYS 103 CO 0.87 0.24 -0.00 0.93 -0.57 0.00 0.00 179.45 180.92 1ti6 h GLU 104 N 0.00 0.00 -0.93 3.15 3.07 -1.98 -2.57 114.58 115.31 1ti6 h GLU 104 Ca -0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1ti6 h GLU 104 Cb 0.62 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.47 1ti6 h GLU 104 CO 0.03 0.00 0.61 -0.07 -1.40 0.00 0.00 179.01 178.18 1ti6 h LEU 105 N 0.00 0.95 -1.60 1.33 3.38 -1.92 -1.57 115.31 115.88 1ti6 h LEU 105 Ca -0.00 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.15 1ti6 h LEU 105 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1ti6 h LEU 105 CO 0.00 0.61 0.54 -0.07 0.09 0.00 0.00 178.44 179.61 1ti6 h LEU 106 N 1.08 0.36 -0.70 1.67 3.38 -1.71 -0.43 115.31 118.96 1ti6 h LEU 106 Ca 0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ti6 h LEU 106 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ti6 h LEU 106 CO -0.15 0.17 0.00 0.44 0.09 0.00 0.00 178.44 178.99 1ti6 h ASP 107 N 0.37 0.00 0.00 -0.43 3.32 -1.47 -3.04 116.42 115.17 1ti6 h ASP 107 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1ti6 h ASP 107 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1ti6 h ASP 107 CO -0.13 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.74 1ti6 n THR 108 N -2.74 0.00 -3.75 0.35 -2.24 -0.17 -4.75 114.28 100.98 1ti6 n THR 108 Ca 0.03 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1ti6 n THR 108 Cb 0.36 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 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 8.24 0.00 0.00 0.00 0.11 -1.90 -3.14 132.00 135.32 1ti6 h PRO 110 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ti6 h PRO 110 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ti6 h PRO 110 CO 0.59 0.45 -1.07 0.66 -0.21 0.00 0.00 178.00 178.41 1ti6 n TYR 111 N -3.61 0.62 -3.21 0.65 4.02 -1.26 -5.00 117.16 109.37 1ti6 n TYR 111 Ca -0.00 0.18 -0.16 0.00 -0.01 0.00 0.00 57.90 57.91 1ti6 n TYR 111 Cb 0.54 -0.73 0.06 0.00 -0.02 0.00 0.00 39.34 39.19 1ti6 n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ti6 n GLY 112 N 1.26 -0.12 0.18 2.72 0.00 -1.19 -4.94 105.19 103.10 1ti6 n GLY 112 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.99 0.00 -4.03 1.61 0.24 -1.26 -4.91 118.33 106.00 1ti6 n VAL 113 Ca -0.05 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.34 61.84 1ti6 n VAL 113 Cb 0.56 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.68 3.13 0.19 7.34 0.23 -1.26 -4.48 119.30 121.76 1ti6 s MET 114 Ca 0.19 -0.51 0.09 0.00 -1.03 0.00 0.00 55.69 54.43 1ti6 s MET 114 Cb 0.18 -2.88 -0.04 0.00 -1.53 0.00 0.00 34.83 30.56 1ti6 s MET 114 CO 0.60 0.62 -0.19 0.71 -2.03 0.00 0.00 175.02 174.73 1ti6 s TYR 115 N -1.32 1.94 -0.34 3.16 1.51 0.18 -4.92 117.35 117.55 1ti6 s TYR 115 Ca 0.27 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.71 1ti6 s TYR 115 Cb -0.12 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1ti6 s TYR 115 CO 0.19 0.42 0.45 -0.46 -1.11 0.00 0.00 175.55 175.04 1ti6 s TRP 116 N -2.24 3.19 -0.52 2.71 -0.11 -1.26 0.71 118.94 121.42 1ti6 s TRP 116 Ca 0.20 0.11 -0.24 0.00 1.22 0.00 0.00 56.10 57.39 1ti6 s TRP 116 Cb -0.05 -2.82 0.04 0.00 -1.50 0.00 0.00 33.47 29.14 1ti6 s TRP 116 CO 0.08 -0.49 0.91 1.21 -4.62 0.00 0.00 176.95 174.04 1ti6 s ASN 117 N 1.74 6.38 0.16 5.86 3.84 -0.74 -4.92 114.94 127.27 1ti6 s ASN 117 Ca 0.16 -0.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.84 1ti6 s ASN 117 Cb -0.16 -2.43 0.08 0.00 -0.55 0.00 0.00 41.25 38.19 1ti6 s ASN 117 CO 0.13 -1.14 1.75 -0.33 -2.79 0.00 0.00 177.10 174.72 1ti6 h GLU 118 N 9.21 0.30 0.00 0.43 4.39 -1.96 0.38 114.58 127.33 1ti6 h GLU 118 Ca -0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1ti6 h GLU 118 Cb 1.08 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1ti6 h GLU 118 CO 1.05 0.20 0.00 1.49 -1.16 0.00 0.00 179.01 180.59 1ti6 h GLU 119 N 0.31 0.00 -0.00 2.33 4.81 -1.97 -2.98 114.58 117.07 1ti6 h GLU 119 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ti6 h GLU 119 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ti6 h GLU 119 CO -0.17 0.00 -0.02 0.39 -0.73 0.00 0.00 179.01 178.48 1ti6 n GLU 120 N -2.62 1.18 -4.06 1.92 -0.58 -1.04 -5.03 120.64 110.41 1ti6 n GLU 120 Ca 0.01 -0.45 -0.45 0.00 -0.42 0.00 0.00 57.16 55.86 1ti6 n GLU 120 Cb 0.25 -0.91 0.02 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.20 -4.16 -3.54 1.62 5.03 0.13 -4.85 115.26 109.28 1ti6 n ASN 121 Ca 0.01 -1.28 -0.16 0.00 0.87 0.00 0.00 54.58 54.02 1ti6 n ASN 121 Cb 0.04 -1.58 -0.06 0.00 -1.02 0.00 0.00 39.78 37.16 1ti6 n ASN 121 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ti6 s VAL 122 N -3.47 0.00 0.33 2.41 0.11 -1.18 -0.83 120.40 117.77 1ti6 s VAL 122 Ca 0.44 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.21 1ti6 s VAL 122 Cb -0.25 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.51 1ti6 s VAL 122 CO 0.97 0.00 1.10 0.00 -3.33 0.00 0.00 175.10 173.84 1ti6 s ALA 123 N -1.07 3.29 0.10 1.54 0.00 -1.26 -1.78 121.76 122.57 1ti6 s ALA 123 Ca -0.08 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1ti6 s ALA 123 Cb -0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1ti6 s ALA 123 CO 0.07 -0.24 -0.08 -0.65 0.00 0.00 0.00 175.76 174.86 1ti6 s GLN 124 N -1.85 0.85 -0.06 0.00 -0.21 0.22 -4.90 119.66 113.71 1ti6 s GLN 124 Ca 0.50 -1.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.41 1ti6 s GLN 124 Cb -0.29 -0.35 0.06 0.00 1.00 0.00 0.00 33.01 33.43 1ti6 s GLN 124 CO 0.38 0.02 0.90 0.36 -2.12 0.00 0.00 175.29 174.83 1ti6 n LYS 125 N 0.18 0.02 -1.53 2.91 -0.00 -1.26 0.50 118.16 118.98 1ti6 n LYS 125 Ca -0.13 -0.36 -0.51 0.00 -0.00 0.00 0.00 58.31 57.30 1ti6 n LYS 125 Cb 0.60 0.69 -0.05 0.00 -0.00 0.00 0.00 35.03 36.26 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 1.26 0.00 -3.11 0.00 -2.24 -1.26 -4.89 114.28 104.04 1ti6 n THR 127 Ca 0.17 -0.46 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 1ti6 n THR 127 Cb 0.20 1.04 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.43 -5.40 -3.78 -0.78 1.56 -1.26 -2.40 117.12 104.63 1ti6 n MET 128 Ca 0.00 0.90 -0.23 0.00 -0.27 0.00 0.00 57.70 58.10 1ti6 n MET 128 Cb 0.01 -5.78 -0.01 0.00 2.15 0.00 0.00 33.22 29.59 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 2.00 2.07 -0.17 0.00 0.00 -1.90 0.16 119.26 121.43 1ti6 h ALA 130 Ca -0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ti6 h ALA 130 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ti6 h ALA 130 CO 0.32 -0.14 -0.08 1.12 0.00 0.00 0.00 179.25 180.48 1ti6 h HIS 131 N 0.16 0.27 0.20 0.00 2.07 -1.87 0.29 115.15 116.26 1ti6 h HIS 131 Ca 0.13 -0.02 -0.30 0.00 -2.85 0.00 0.00 60.37 57.33 1ti6 h HIS 131 Cb 0.32 -0.08 0.03 0.00 2.57 0.00 0.00 27.41 30.25 1ti6 h HIS 131 CO -0.00 0.34 -1.28 -0.07 -3.07 0.00 0.00 177.93 173.85 1ti6 h LEU 132 N 0.25 0.78 -1.32 6.12 3.38 -1.11 -3.23 115.31 120.19 1ti6 h LEU 132 Ca 0.05 -0.90 -0.07 0.00 0.09 0.00 0.00 57.88 57.06 1ti6 h LEU 132 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ti6 h LEU 132 CO 0.01 1.62 -0.28 -0.07 0.09 0.00 0.00 178.44 179.82 1ti6 h LEU 133 N 0.08 0.10 -0.49 1.67 3.38 -0.60 -2.40 115.31 117.04 1ti6 h LEU 133 Ca -0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ti6 h LEU 133 Cb 1.99 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1ti6 h LEU 133 CO 0.24 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1ti6 n ASP 134 N -4.18 0.75 -4.11 -0.43 8.00 0.99 -4.71 116.55 112.86 1ti6 n ASP 134 Ca -0.02 -1.40 -0.33 0.00 0.71 0.00 0.00 54.79 53.76 1ti6 n ASP 134 Cb 0.35 -0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.78 3.91 0.59 -2.24 -1.08 -0.91 -4.99 116.67 110.17 1ti6 s ASP 135 Ca 0.36 -1.01 0.35 0.00 -0.52 0.00 0.00 52.55 51.73 1ti6 s ASP 135 Cb 0.18 -1.54 1.83 0.00 -1.46 0.00 0.00 42.92 41.93 1ti6 s ASP 135 CO 0.29 -0.11 2.18 -0.33 0.52 0.00 0.00 175.17 177.73 1ti6 h GLU 136 N 7.88 0.00 -0.43 4.34 4.39 -1.84 -2.38 114.58 126.54 1ti6 h GLU 136 Ca -0.32 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1ti6 h GLU 136 Cb 1.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1ti6 h GLU 136 CO 0.55 0.04 0.29 0.77 -1.16 0.00 0.00 179.01 179.50 1ti6 h SER 137 N 0.00 0.44 -0.76 1.42 0.02 -1.94 -3.33 113.55 109.40 1ti6 h SER 137 Ca -0.00 -0.01 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1ti6 h SER 137 Cb 0.21 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1ti6 h SER 137 CO 0.01 0.31 1.00 0.86 -1.14 0.00 0.00 176.83 177.87 1ti6 s TRP 138 N -5.46 2.02 0.23 3.45 -0.00 -0.90 -4.84 118.94 113.43 1ti6 s TRP 138 Ca -0.08 0.21 -0.08 0.00 -0.00 0.00 0.00 56.10 56.15 1ti6 s TRP 138 Cb 0.18 -4.20 0.36 0.00 -0.00 0.00 0.00 33.47 29.82 1ti6 s TRP 138 CO 0.73 -1.70 1.67 0.00 -0.00 0.00 0.00 176.95 177.65 1ti6 h ALA 139 N 10.58 0.75 -1.03 5.86 0.00 -1.86 -2.17 119.26 131.39 1ti6 h ALA 139 Ca 0.15 0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.50 1ti6 h ALA 139 Cb 0.99 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1ti6 h ALA 139 CO 1.27 -0.37 0.65 -1.35 0.00 0.00 0.00 179.25 179.45 1ti6 h PRO 140 N 0.18 0.42 -5.23 0.00 0.11 -1.93 -3.45 132.00 122.10 1ti6 h PRO 140 Ca 0.36 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 66.04 1ti6 h PRO 140 Cb 0.60 -0.10 0.05 0.00 0.11 0.00 0.00 31.00 31.67 1ti6 h PRO 140 CO -0.53 0.28 -0.64 1.63 -0.21 0.00 0.00 178.00 178.53 1ti6 n LYS 141 N -4.66 -5.72 -3.75 1.05 5.02 -0.82 -4.98 118.16 104.31 1ti6 n LYS 141 Ca 0.25 0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 57.24 1ti6 n LYS 141 Cb 0.84 -5.71 -0.05 0.00 -0.02 0.00 0.00 35.03 30.09 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 -6.04 1.06 0.92 1.97 0.23 -1.26 -5.00 119.30 111.17 1ti6 s MET 142 Ca 0.45 -0.85 -0.10 0.00 -1.03 0.00 0.00 55.69 54.15 1ti6 s MET 142 Cb -0.21 0.43 0.15 0.00 -1.53 0.00 0.00 34.83 33.67 1ti6 s MET 142 CO 0.55 -0.40 1.13 -2.14 -2.03 0.00 0.00 175.02 172.14 1ti6 s PRO 143 N -3.85 1.01 0.19 3.16 0.02 -1.26 -4.79 135.00 129.48 1ti6 s PRO 143 Ca 0.06 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 62.43 1ti6 s PRO 143 Cb 0.02 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.92 1ti6 s PRO 143 CO -0.09 -2.61 1.84 0.00 -0.33 0.00 0.00 177.00 175.80 1ti6 h ARG 144 N -1.85 0.85 0.51 5.54 2.47 -1.93 -1.63 114.38 118.35 1ti6 h ARG 144 Ca -0.44 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.19 1ti6 h ARG 144 Cb 1.27 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1ti6 h ARG 144 CO 0.43 0.60 -0.31 0.00 0.56 0.00 0.00 179.97 181.25 1ti6 h ALA 146 N -0.33 1.87 0.00 0.00 0.00 -1.92 0.74 119.26 119.62 1ti6 h ALA 146 Ca -0.06 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ti6 h ALA 146 Cb 0.63 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ti6 h ALA 146 CO 0.06 -0.21 -0.60 1.25 0.00 0.00 0.00 179.25 179.75 1ti6 h HIS 147 N 0.64 0.00 0.00 0.00 6.17 -0.87 -3.26 115.15 117.84 1ti6 h HIS 147 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.63 1ti6 h HIS 147 Cb 1.01 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.94 1ti6 h HIS 147 CO -0.00 0.60 -0.23 -0.91 0.71 0.00 0.00 177.93 178.10 1ti6 h ASN 148 N 0.00 0.00 -3.11 3.26 4.21 0.17 -3.47 115.58 116.64 1ti6 h ASN 148 Ca -0.01 -0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 1ti6 h ASN 148 Cb 1.46 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 38.78 1ti6 h ASN 148 CO 0.08 0.00 0.35 0.00 -1.29 0.00 0.00 177.43 176.56 1ti6 n GLY 150 N 0.96 -0.20 0.56 0.00 0.00 -1.26 -4.66 105.19 100.60 1ti6 n GLY 150 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.13 2.69 -3.83 1.61 7.64 -1.26 -5.00 113.62 115.34 1ti6 n SER 151 Ca 0.00 -1.90 -0.28 0.00 1.01 0.00 0.00 58.87 57.70 1ti6 n SER 151 Cb 0.10 -0.18 0.04 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.47 -2.38 0.10 1.43 3.01 -1.26 -4.90 117.46 113.92 1ti6 n PHE 152 Ca 0.10 0.92 -0.21 0.00 1.01 0.00 0.00 57.45 59.27 1ti6 n PHE 152 Cb 0.39 -4.24 -0.15 0.00 -0.01 0.00 0.00 39.48 35.47 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 -2.19 1.15 -3.28 -4.37 2.07 -1.88 -3.46 116.25 104.29 1ti6 h VAL 153 Ca -0.58 -2.70 -0.56 0.00 0.82 0.00 0.00 66.70 63.67 1ti6 h VAL 153 Cb 1.37 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.97 1ti6 h VAL 153 CO 0.64 0.84 -0.10 -0.31 0.02 0.00 0.00 177.57 178.66 1ti6 s TYR 154 N -2.60 3.63 -0.36 1.57 1.51 -1.26 -1.31 117.35 118.53 1ti6 s TYR 154 Ca -0.11 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.01 1ti6 s TYR 154 Cb 0.06 -2.36 0.12 0.00 -0.11 0.00 0.00 41.96 39.67 1ti6 s TYR 154 CO 0.88 0.46 0.17 -2.00 -1.11 0.00 0.00 175.55 173.96 1ti6 s GLU 155 N -1.84 0.81 -0.17 -0.62 2.12 0.06 -4.98 118.70 114.08 1ti6 s GLU 155 Ca 0.36 -1.38 -0.12 0.00 0.36 0.00 0.00 54.97 54.18 1ti6 s GLU 155 Cb -0.15 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 1ti6 s GLU 155 CO 0.19 -1.10 0.23 0.12 -0.54 0.00 0.00 175.26 174.16 1ti6 s PHE 156 N 1.13 3.45 0.16 5.30 5.36 -1.26 -0.85 117.98 131.27 1ti6 s PHE 156 Ca 0.14 0.50 -0.12 0.00 -0.96 0.00 0.00 56.93 56.49 1ti6 s PHE 156 Cb -0.21 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.21 1ti6 s PHE 156 CO -0.12 0.27 0.36 -0.48 -1.46 0.00 0.00 175.22 173.80 1ti6 s LEU 157 N 0.38 0.66 -0.20 6.12 0.05 -0.70 -5.03 118.68 119.97 1ti6 s LEU 157 Ca 0.14 -0.66 -0.03 0.00 0.05 0.00 0.00 54.13 53.63 1ti6 s LEU 157 Cb -0.12 1.55 0.06 0.00 -2.05 0.00 0.00 46.19 45.63 1ti6 s LEU 157 CO 0.02 -0.92 0.03 -0.75 -0.55 0.00 0.00 176.35 174.18 1ti6 s LYS 158 N -3.91 0.70 0.01 1.48 2.20 -1.26 -0.57 119.74 118.40 1ti6 s LYS 158 Ca 0.12 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1ti6 s LYS 158 Cb 0.02 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1ti6 s LYS 158 CO -0.03 -0.64 0.02 -2.37 -0.36 0.00 0.00 175.35 171.96 1ti6 n THR 159 N 5.03 0.00 -2.25 3.43 5.66 -0.44 -4.84 114.28 120.86 1ti6 n THR 159 Ca -0.09 -0.06 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 1ti6 n THR 159 Cb 0.47 0.04 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.53 4.70 0.50 1.09 -4.23 -1.26 -1.02 115.64 112.89 1ti6 s THR 160 Ca 0.01 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 61.52 1ti6 s THR 160 Cb -0.00 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.33 1ti6 s THR 160 CO 0.01 -0.90 2.08 -0.65 -0.54 0.00 0.00 174.62 174.61 1ti6 h PRO 161 N 0.29 0.12 0.28 3.99 0.11 -1.95 -2.39 132.00 132.45 1ti6 h PRO 161 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ti6 h PRO 161 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ti6 h PRO 161 CO 0.62 0.08 -0.13 0.93 -0.21 0.00 0.00 178.00 179.29 1ti6 h GLU 162 N 0.12 -0.36 -0.90 1.05 3.07 -1.99 0.12 114.58 115.70 1ti6 h GLU 162 Ca 0.12 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1ti6 h GLU 162 Cb 0.31 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 1ti6 h GLU 162 CO -0.01 -0.13 0.58 0.00 -1.40 0.00 0.00 179.01 178.05 1ti6 h ALA 163 N 0.13 1.60 -0.09 3.43 0.00 -1.83 -0.43 119.26 122.07 1ti6 h ALA 163 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ti6 h ALA 163 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ti6 h ALA 163 CO 0.06 0.23 -0.10 1.98 0.00 0.00 0.00 179.25 181.42 1ti6 h MET 164 N 0.92 0.22 -0.94 0.00 -1.53 -1.27 -2.14 114.93 110.19 1ti6 h MET 164 Ca 0.41 -0.12 0.10 0.00 -3.44 0.00 0.00 59.70 56.65 1ti6 h MET 164 Cb 0.36 0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 31.34 1ti6 h MET 164 CO -0.17 0.67 0.58 0.00 0.14 0.00 0.00 176.91 178.13 1ti6 h ALA 165 N 0.55 1.38 -0.29 0.39 0.00 -0.09 0.14 119.26 121.34 1ti6 h ALA 165 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ti6 h ALA 165 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ti6 h ALA 165 CO 0.02 0.23 -0.11 -0.22 0.00 0.00 0.00 179.25 179.18 1ti6 h LYS 166 N 0.97 0.59 -0.82 0.00 3.64 -1.07 -2.52 116.57 117.35 1ti6 h LYS 166 Ca 0.45 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1ti6 h LYS 166 Cb 0.38 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1ti6 h LYS 166 CO -0.24 0.81 0.52 -0.22 -2.27 0.00 0.00 179.45 178.05 1ti6 h LYS 167 N 0.34 1.09 -0.75 1.90 3.64 -0.64 -1.20 116.57 120.96 1ti6 h LYS 167 Ca 0.07 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ti6 h LYS 167 Cb 0.61 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1ti6 h LYS 167 CO 0.04 0.74 0.41 0.28 -2.27 0.00 0.00 179.45 178.65 1ti6 h VAL 168 N 1.12 1.22 -0.01 2.00 2.07 -0.55 -1.29 116.25 120.82 1ti6 h VAL 168 Ca 0.30 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1ti6 h VAL 168 Cb -0.09 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1ti6 h VAL 168 CO -0.06 0.25 -0.44 -0.08 0.02 0.00 0.00 177.57 177.26 1ti6 h GLU 169 N 1.05 0.31 -0.59 1.57 4.81 -0.93 -0.24 114.58 120.56 1ti6 h GLU 169 Ca 0.27 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1ti6 h GLU 169 Cb 0.03 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1ti6 h GLU 169 CO -0.04 1.02 0.09 0.93 -0.73 0.00 0.00 179.01 180.28 1ti6 h GLU 170 N -0.26 0.95 -0.44 1.92 5.08 -1.18 -2.99 114.58 117.65 1ti6 h GLU 170 Ca -0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ti6 h GLU 170 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ti6 h GLU 170 CO 0.09 0.88 0.00 0.39 -1.00 0.00 0.00 179.01 179.37 1ti6 n GLU 171 N -4.23 2.52 -3.92 2.33 1.02 -0.49 -4.97 120.64 112.90 1ti6 n GLU 171 Ca 0.04 -2.31 -0.29 0.00 -0.02 0.00 0.00 57.16 54.58 1ti6 n GLU 171 Cb 0.27 -1.52 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.53 -0.43 3.77 0.62 0.00 -0.58 -4.85 105.19 105.24 1ti6 n GLY 172 Ca 0.20 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 -7.15 3.93 0.18 0.99 1.43 -0.21 -4.77 118.68 113.09 1ti6 s LEU 173 Ca 0.50 2.30 0.03 0.00 -1.03 0.00 0.00 54.13 55.93 1ti6 s LEU 173 Cb -0.25 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 1ti6 s LEU 173 CO 0.84 -1.04 -0.04 -1.61 0.23 0.00 0.00 176.35 174.73 1ti6 s GLU 174 N -2.86 1.16 0.28 1.70 2.02 -0.40 -4.90 118.70 115.69 1ti6 s GLU 174 Ca 0.66 -1.55 0.12 0.00 0.02 0.00 0.00 54.97 54.23 1ti6 s GLU 174 Cb -0.28 -0.53 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 1ti6 s GLU 174 CO 0.33 -0.03 -0.19 0.14 0.02 0.00 0.00 175.26 175.53 1ti6 s VAL 175 N -3.44 2.55 0.14 2.63 -7.23 -1.26 0.12 120.40 113.91 1ti6 s VAL 175 Ca 0.22 -2.36 -0.30 0.00 -1.81 0.00 0.00 61.98 57.73 1ti6 s VAL 175 Cb 0.04 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 1ti6 s VAL 175 CO 0.04 -0.39 0.99 -0.63 -0.31 0.00 0.00 175.10 174.80 1ti6 s ILE 176 N -2.47 4.32 -0.99 -0.62 1.01 -1.26 -4.10 121.20 117.09 1ti6 s ILE 176 Ca 0.30 1.97 -0.13 0.00 0.00 0.00 0.00 60.65 62.79 1ti6 s ILE 176 Cb -0.05 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 1ti6 s ILE 176 CO 0.15 0.32 0.72 0.29 0.00 0.00 0.00 174.94 176.43 1ti6 n LYS 177 N 2.59 -1.25 -0.21 2.79 5.02 -1.26 -4.88 118.16 120.97 1ti6 n LYS 177 Ca 0.02 0.70 -0.01 0.00 -2.02 0.00 0.00 58.31 57.00 1ti6 n LYS 177 Cb 0.48 -3.85 0.22 0.00 -0.02 0.00 0.00 35.03 31.86 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 -1.10 0.98 0.00 1.97 0.11 -2.03 -2.81 132.00 129.12 1ti6 h PRO 178 Ca -0.54 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1ti6 h PRO 178 Cb 1.31 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ti6 h PRO 178 CO 0.42 0.70 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 1ti6 n GLU 179 N -4.38 0.10 0.03 1.05 0.00 -1.26 -1.07 120.64 115.10 1ti6 n GLU 179 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.34 1ti6 n GLU 179 Cb 0.08 -1.35 -0.06 0.00 0.00 0.00 0.00 31.44 30.12 1ti6 n GLU 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ti6 n LEU 180 N -0.85 0.49 -1.60 -1.84 4.77 -1.06 -4.99 117.00 111.93 1ti6 n LEU 180 Ca 0.02 0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 1ti6 n LEU 180 Cb 0.01 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1ti6 n LEU 180 CO 0.01 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.50 1ti6 n GLY 181 N 1.31 0.83 0.11 -0.72 0.00 -0.24 -4.87 105.19 101.61 1ti6 n GLY 181 Ca -0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.80 2.61 1.35 -1.82 -3.43 112.91 105.82 1ti6 h THR 182 Ca -0.38 -0.57 -0.16 0.00 -0.55 0.00 0.00 66.41 64.75 1ti6 h THR 182 Cb 1.20 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1ti6 h THR 182 CO 0.50 0.00 -0.37 0.29 -0.25 0.00 0.00 175.52 175.69 1ti6 n LYS 183 N -2.37 -1.40 -1.71 4.72 5.02 -1.26 0.25 118.16 121.40 1ti6 n LYS 183 Ca 0.05 1.23 -0.37 0.00 -2.02 0.00 0.00 58.31 57.20 1ti6 n LYS 183 Cb 0.45 -4.72 0.07 0.00 -0.02 0.00 0.00 35.03 30.81 1ti6 n LYS 183 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1ti6 s PRO 184 N -3.71 2.51 -0.07 1.97 0.02 -1.26 -0.25 135.00 134.21 1ti6 s PRO 184 Ca 0.03 2.01 0.19 0.00 0.02 0.00 0.00 61.00 63.26 1ti6 s PRO 184 Cb -0.01 -1.85 0.65 0.00 0.02 0.00 0.00 34.50 33.32 1ti6 s PRO 184 CO 0.80 -1.62 1.56 2.89 -0.33 0.00 0.00 177.00 180.30 1ti6 n ARG 185 N -2.00 3.28 -3.82 5.54 1.85 -0.57 -4.78 116.66 116.17 1ti6 n ARG 185 Ca 0.15 -2.74 -0.36 0.00 -1.00 0.00 0.00 57.85 53.90 1ti6 n ARG 185 Cb 0.48 -1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.50 3.42 0.15 8.89 1.01 -1.24 -1.72 120.40 129.40 1ti6 s VAL 186 Ca 0.48 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ti6 s VAL 186 Cb 0.29 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1ti6 s VAL 186 CO 0.27 -0.15 0.22 -0.31 0.00 0.00 0.00 175.10 175.12 1ti6 s TYR 187 N 1.33 3.34 -0.07 5.22 1.51 0.13 -4.73 117.35 124.08 1ti6 s TYR 187 Ca -0.03 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.15 1ti6 s TYR 187 Cb -0.20 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1ti6 s TYR 187 CO 0.01 0.52 -0.24 0.71 -1.11 0.00 0.00 175.55 175.44 1ti6 s TYR 188 N -1.73 2.49 -0.12 2.71 2.02 0.12 -0.34 117.35 122.50 1ti6 s TYR 188 Ca 0.33 -0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1ti6 s TYR 188 Cb -0.11 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1ti6 s TYR 188 CO 0.26 -0.26 0.07 0.21 -1.57 0.00 0.00 175.55 174.26 1ti6 s LYS 189 N -0.02 3.36 -1.59 -0.62 2.20 0.03 -1.28 119.74 121.81 1ti6 s LYS 189 Ca -0.08 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1ti6 s LYS 189 Cb -0.15 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1ti6 s LYS 189 CO 0.05 0.65 0.34 0.09 -0.36 0.00 0.00 175.35 176.11 1ti6 n ASN 190 N 2.36 -5.86 0.33 1.43 3.02 -1.26 -1.50 115.26 113.77 1ti6 n ASN 190 Ca -0.19 -0.17 0.22 0.00 -0.03 0.00 0.00 54.58 54.42 1ti6 n ASN 190 Cb 0.54 -4.77 1.18 0.00 -0.61 0.00 0.00 39.78 36.12 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 -0.77 0.00 -2.17 3.41 5.85 -1.93 -2.01 115.31 117.70 1ti6 h LEU 191 Ca -0.50 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1ti6 h LEU 191 Cb 1.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1ti6 h LEU 191 CO 0.55 0.00 0.06 0.10 -0.34 0.00 0.00 178.44 178.81 1ti6 h TYR 192 N 0.00 0.00 -0.98 1.25 -0.00 -1.95 -0.43 116.97 114.86 1ti6 h TYR 192 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.80 1ti6 h TYR 192 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 36.68 1ti6 h TYR 192 CO 0.00 0.00 0.63 0.00 -0.00 0.00 0.00 178.16 178.79 1ti6 h ARG 193 N 0.00 1.08 0.09 0.10 2.47 -1.68 0.14 114.38 116.59 1ti6 h ARG 193 Ca 0.03 -0.07 -0.36 0.00 -1.26 0.00 0.00 59.98 58.33 1ti6 h ARG 193 Cb 0.16 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 1ti6 h ARG 193 CO -0.00 0.72 -2.03 0.34 0.56 0.00 0.00 179.97 179.56 1ti6 n PHE 194 N -4.51 1.07 -0.03 3.04 7.35 -0.38 -4.61 117.46 119.38 1ti6 n PHE 194 Ca 0.15 0.24 -0.07 0.00 -0.76 0.00 0.00 57.45 57.01 1ti6 n PHE 194 Cb 0.21 -1.15 -0.14 0.00 0.35 0.00 0.00 39.48 38.75 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 -3.39 0.64 -1.63 -4.13 1.02 -0.31 -5.00 120.64 107.85 1ti6 n GLU 195 Ca -0.32 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 56.95 1ti6 n GLU 195 Cb 1.04 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.93 0.75 -4.38 3.49 4.76 0.50 -5.03 118.16 115.31 1ti6 n LYS 196 Ca -0.19 -1.09 -0.20 0.00 -2.87 0.00 0.00 58.31 53.95 1ti6 n LYS 196 Cb 1.03 -0.12 -0.09 0.00 -1.84 0.00 0.00 35.03 34.01 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 -2.33 1.85 0.21 4.39 0.01 -1.06 -4.83 114.94 113.18 1ti6 s ASN 197 Ca 0.22 -1.56 -0.05 0.00 -0.71 0.00 0.00 52.86 50.77 1ti6 s ASN 197 Cb -0.02 0.35 -0.03 0.00 0.41 0.00 0.00 41.25 41.97 1ti6 s ASN 197 CO 0.14 -0.86 0.24 -0.72 -1.51 0.00 0.00 177.10 174.39 1ti6 s TYR 198 N -3.50 0.86 -0.02 2.20 -0.85 -1.26 -0.43 117.35 114.35 1ti6 s TYR 198 Ca 0.34 -1.14 0.03 0.00 -0.52 0.00 0.00 57.07 55.78 1ti6 s TYR 198 Cb 0.05 -0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.09 1ti6 s TYR 198 CO 0.17 -0.75 -0.11 0.54 -1.52 0.00 0.00 175.55 173.88 1ti6 s VAL 199 N -4.10 0.89 0.14 -3.49 0.11 -0.89 -0.78 120.40 112.28 1ti6 s VAL 199 Ca 0.32 -0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 58.86 1ti6 s VAL 199 Cb 0.04 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1ti6 s VAL 199 CO 0.10 0.26 0.18 0.28 -3.33 0.00 0.00 175.10 172.59 1ti6 s THR 200 N -0.06 0.09 0.15 5.04 -1.32 0.08 -1.61 115.64 118.00 1ti6 s THR 200 Ca 0.01 -1.57 -0.25 0.00 -1.21 0.00 0.00 61.69 58.67 1ti6 s THR 200 Cb -0.07 -1.85 0.06 0.00 -1.51 0.00 0.00 72.50 69.14 1ti6 s THR 200 CO 0.00 -0.42 0.94 0.00 -2.21 0.00 0.00 174.62 172.93 1ti6 s ALA 201 N -3.98 -1.65 -0.20 11.08 0.00 -1.17 -0.32 121.76 125.52 1ti6 s ALA 201 Ca 0.18 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1ti6 s ALA 201 Cb 0.05 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1ti6 s ALA 201 CO -0.01 -1.01 -0.16 0.20 0.00 0.00 0.00 175.76 174.78 1ti6 s GLY 202 N -2.90 1.42 -0.18 0.00 0.00 -0.54 -2.85 107.32 102.27 1ti6 s GLY 202 Ca 0.11 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 43.30 1ti6 s GLY 202 CO 0.01 0.45 0.60 -0.42 0.00 0.00 0.00 173.10 173.74 1ti6 s ILE 203 N 1.28 5.06 -0.06 0.90 1.09 0.31 -0.11 121.20 129.67 1ti6 s ILE 203 Ca 0.01 1.13 0.05 0.00 -1.10 0.00 0.00 60.65 60.74 1ti6 s ILE 203 Cb -0.15 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.32 1ti6 s ILE 203 CO -0.10 0.16 -0.23 -0.76 -0.10 0.00 0.00 174.94 173.91 1ti6 s LEU 204 N 1.64 2.20 -0.26 2.97 1.43 -0.35 -1.31 118.68 124.99 1ti6 s LEU 204 Ca 0.28 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1ti6 s LEU 204 Cb -0.16 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1ti6 s LEU 204 CO 0.11 0.26 -0.09 -0.69 0.23 0.00 0.00 176.35 176.16 1ti6 s VAL 205 N -0.23 2.09 -1.14 -1.59 1.01 0.05 -0.30 120.40 120.29 1ti6 s VAL 205 Ca -0.01 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1ti6 s VAL 205 Cb -0.13 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1ti6 s VAL 205 CO 0.03 -0.08 0.98 0.00 0.00 0.00 0.00 175.10 176.03 1ti6 n GLN 206 N 4.45 -6.60 0.00 2.72 6.02 -0.94 -2.91 117.38 120.12 1ti6 n GLN 206 Ca -0.12 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1ti6 n GLN 206 Cb 0.42 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.25 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 -1.62 2.41 3.42 1.08 0.00 -1.26 -5.03 105.19 104.19 1ti6 n GLY 207 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.55 3.55 0.01 1.61 1.01 -1.15 -5.05 116.67 113.11 1ti6 s ASP 208 Ca 0.00 -0.56 -0.34 0.00 0.71 0.00 0.00 52.55 52.35 1ti6 s ASP 208 Cb 0.00 -0.43 -0.13 0.00 1.01 0.00 0.00 42.92 43.37 1ti6 s ASP 208 CO 0.00 0.23 1.73 0.00 0.21 0.00 0.00 175.17 177.34 1ti6 s PHE 210 N 2.64 3.25 -0.05 0.00 5.36 -0.43 -4.70 117.98 124.06 1ti6 s PHE 210 Ca 0.87 0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 56.85 1ti6 s PHE 210 Cb -0.71 -2.31 -0.05 0.00 -0.34 0.00 0.00 43.02 39.61 1ti6 s PHE 210 CO 0.46 -0.07 0.28 -2.00 -1.46 0.00 0.00 175.22 172.43 1ti6 s GLU 211 N 1.41 3.67 0.00 10.12 2.12 -1.26 -3.94 118.70 130.82 1ti6 s GLU 211 Ca 0.07 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1ti6 s GLU 211 Cb -0.15 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1ti6 s GLU 211 CO 0.07 0.72 0.00 0.41 -0.54 0.00 0.00 175.26 175.92 1ti6 n GLY 212 N 1.76 0.71 3.75 -1.50 0.00 -0.52 -4.95 105.19 104.44 1ti6 n GLY 212 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.53 3.65 -0.21 4.61 0.00 -1.26 -4.68 121.76 121.34 1ti6 s ALA 213 Ca 0.00 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 1ti6 s ALA 213 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1ti6 s ALA 213 CO 0.00 -0.84 0.71 0.15 0.00 0.00 0.00 175.76 175.78 1ti6 s LYS 214 N -0.74 4.20 -0.04 0.00 1.02 -0.72 -1.64 119.74 121.83 1ti6 s LYS 214 Ca 0.59 0.76 0.06 0.00 0.02 0.00 0.00 55.97 57.39 1ti6 s LYS 214 Cb -0.44 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.24 1ti6 s LYS 214 CO 0.48 -0.35 -0.21 0.08 -0.92 0.00 0.00 175.35 174.43 1ti6 s VAL 215 N 2.27 2.46 -0.02 3.17 1.01 0.16 -1.27 120.40 128.18 1ti6 s VAL 215 Ca 0.32 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ti6 s VAL 215 Cb -0.16 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1ti6 s VAL 215 CO 0.10 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 175.05 1ti6 s VAL 216 N -0.58 0.43 -0.19 2.92 1.01 -0.04 -0.53 120.40 123.42 1ti6 s VAL 216 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1ti6 s VAL 216 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1ti6 s VAL 216 CO 0.00 0.17 0.04 -0.22 0.00 0.00 0.00 175.10 175.09 1ti6 s LEU 217 N 0.49 3.62 0.11 3.92 2.96 0.23 -0.69 118.68 129.31 1ti6 s LEU 217 Ca -0.06 -0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1ti6 s LEU 217 Cb -0.09 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1ti6 s LEU 217 CO -0.00 0.14 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.42 1ti6 s LYS 218 N 0.57 1.12 -0.08 1.98 1.02 0.38 0.16 119.74 124.89 1ti6 s LYS 218 Ca 0.02 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.81 1ti6 s LYS 218 Cb -0.13 -1.37 0.03 0.00 -0.52 0.00 0.00 37.83 35.85 1ti6 s LYS 218 CO 0.02 0.31 0.03 -1.54 -0.92 0.00 0.00 175.35 173.25 1ti6 s SER 219 N -1.96 1.60 0.00 2.83 1.04 -0.24 0.16 113.70 117.13 1ti6 s SER 219 Ca 0.07 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ti6 s SER 219 Cb -0.10 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1ti6 s SER 219 CO 0.04 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ti6 n GLY 220 N 5.20 0.36 0.00 7.32 0.00 -1.26 -2.58 105.19 114.23 1ti6 n GLY 220 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.58 0.39 3.58 -0.02 0.00 -1.26 -5.08 105.19 101.21 1ti6 n GLY 221 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.83 2.65 0.16 1.61 -2.85 -1.07 -5.03 119.74 114.38 1ti6 s LYS 222 Ca 0.00 -0.62 -0.32 0.00 -1.00 0.00 0.00 55.97 54.03 1ti6 s LYS 222 Cb 0.00 -2.54 -0.11 0.00 -2.06 0.00 0.00 37.83 33.12 1ti6 s LYS 222 CO 0.00 0.64 1.79 -1.91 0.10 0.00 0.00 175.35 175.96 1ti6 n GLU 223 N 1.99 2.78 -0.09 1.78 2.13 -1.26 -1.08 120.64 126.89 1ti6 n GLU 223 Ca -0.17 1.01 -0.09 0.00 0.66 0.00 0.00 57.16 58.57 1ti6 n GLU 223 Cb 0.53 -2.88 -0.14 0.00 0.27 0.00 0.00 31.44 29.22 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 4.36 1.20 -3.57 6.31 0.31 0.42 -4.89 118.33 122.47 1ti6 n VAL 224 Ca 0.17 -0.73 -0.06 0.00 -0.01 0.00 0.00 64.34 63.72 1ti6 n VAL 224 Cb 0.36 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.42 -1.93 0.09 3.52 0.00 -1.05 -4.99 121.76 114.97 1ti6 s ALA 225 Ca -0.10 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 1ti6 s ALA 225 Cb 0.05 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1ti6 s ALA 225 CO 0.70 -0.71 0.24 -1.54 0.00 0.00 0.00 175.76 174.46 1ti6 s SER 226 N -2.44 0.02 0.07 0.00 1.04 -1.26 0.76 113.70 111.89 1ti6 s SER 226 Ca 0.08 -0.52 -0.28 0.00 0.48 0.00 0.00 55.95 55.71 1ti6 s SER 226 Cb -0.01 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.57 1ti6 s SER 226 CO -0.06 -0.73 1.13 0.00 0.98 0.00 0.00 173.24 174.56 1ti6 s ALA 227 N -3.63 -1.96 -0.02 5.32 0.00 0.31 -4.99 121.76 116.80 1ti6 s ALA 227 Ca 0.03 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1ti6 s ALA 227 Cb 0.03 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1ti6 s ALA 227 CO -0.10 -1.05 -0.26 -1.21 0.00 0.00 0.00 175.76 173.14 1ti6 s GLU 228 N -2.84 2.16 0.45 0.00 2.02 -1.26 0.38 118.70 119.62 1ti6 s GLU 228 Ca 0.13 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 1ti6 s GLU 228 Cb 0.02 -2.05 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1ti6 s GLU 228 CO -0.01 0.54 1.39 0.95 0.02 0.00 0.00 175.26 178.15 1ti6 s THR 229 N -0.56 2.22 0.50 3.63 -4.23 -0.65 -4.81 115.64 111.74 1ti6 s THR 229 Ca 0.08 0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 60.71 1ti6 s THR 229 Cb -0.10 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.74 1ti6 s THR 229 CO -0.00 0.02 0.68 -0.46 -0.54 0.00 0.00 174.62 174.32 1ti6 n ASN 230 N -0.23 0.18 0.10 3.99 0.23 -0.94 -1.43 115.26 117.16 1ti6 n ASN 230 Ca 0.05 -1.33 0.08 0.00 -0.53 0.00 0.00 54.58 52.86 1ti6 n ASN 230 Cb 0.43 -0.51 0.39 0.00 -2.08 0.00 0.00 39.78 38.01 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 -2.84 0.49 0.75 -2.53 -1.74 -1.26 0.84 117.46 111.18 1ti6 n PHE 231 Ca 0.09 0.24 0.11 0.00 -0.56 0.00 0.00 57.45 57.33 1ti6 n PHE 231 Cb 0.31 -0.89 0.28 0.00 1.52 0.00 0.00 39.48 40.71 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 -1.99 0.37 -1.76 2.97 3.01 -1.26 -4.70 117.46 114.10 1ti6 n PHE 232 Ca -0.00 -0.19 -0.14 0.00 1.01 0.00 0.00 57.45 58.14 1ti6 n PHE 232 Cb 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 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 1.31 0.75 3.78 1.37 0.00 0.25 -4.60 105.19 108.05 1ti6 n GLY 233 Ca 0.17 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.80 2.78 0.04 1.61 2.02 -1.26 0.11 118.70 120.22 1ti6 s GLU 234 Ca 0.00 -1.09 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 1ti6 s GLU 234 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 1ti6 s GLU 234 CO 0.00 0.41 0.05 -0.59 0.02 0.00 0.00 175.26 175.15 1ti6 s PHE 235 N -2.09 0.30 -0.20 1.61 -0.12 -1.13 -2.22 117.98 114.14 1ti6 s PHE 235 Ca 0.32 -0.69 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1ti6 s PHE 235 Cb -0.08 -0.22 0.10 0.00 -0.63 0.00 0.00 43.02 42.19 1ti6 s PHE 235 CO 0.23 -0.36 0.36 0.21 -0.05 0.00 0.00 175.22 175.61 1ti6 s LYS 236 N -2.97 0.28 -0.47 1.99 2.20 -1.26 -3.06 119.74 116.45 1ti6 s LYS 236 Ca -0.02 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.22 1ti6 s LYS 236 Cb 0.01 -0.11 0.09 0.00 -1.51 0.00 0.00 37.83 36.32 1ti6 s LYS 236 CO -0.06 -0.41 0.37 -0.06 -0.36 0.00 0.00 175.35 174.83 1ti6 s PHE 237 N 2.53 3.30 0.54 4.03 2.99 -0.64 -4.97 117.98 125.76 1ti6 s PHE 237 Ca 0.04 -1.32 0.04 0.00 0.00 0.00 0.00 56.93 55.69 1ti6 s PHE 237 Cb -0.13 -3.31 0.10 0.00 0.00 0.00 0.00 43.02 39.68 1ti6 s PHE 237 CO -0.13 -0.89 0.74 -3.47 -0.00 0.00 0.00 175.22 171.47 1ti6 n ASP 238 N 5.09 1.46 -3.48 1.36 -0.08 -1.26 -2.10 116.55 117.54 1ti6 n ASP 238 Ca -0.11 -2.12 -0.25 0.00 -1.51 0.00 0.00 54.79 50.79 1ti6 n ASP 238 Cb 0.42 -0.43 0.04 0.00 2.34 0.00 0.00 41.12 43.49 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 -2.66 -1.18 -2.72 -1.67 0.00 -1.09 -4.91 120.51 106.29 1ti6 n ALA 239 Ca -0.12 0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1ti6 n ALA 239 Cb 0.49 -4.51 -0.07 0.00 0.00 0.00 0.00 19.45 15.37 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 -7.04 4.26 0.73 0.00 1.43 0.43 -4.86 118.68 113.62 1ti6 s LEU 240 Ca 0.51 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 1ti6 s LEU 240 Cb -0.24 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.56 1ti6 s LEU 240 CO 0.62 0.09 1.10 -1.81 0.23 0.00 0.00 176.35 176.58 1ti6 s ASP 241 N 0.42 5.24 0.54 2.29 1.01 -1.26 -2.55 116.67 122.36 1ti6 s ASP 241 Ca 0.19 1.16 -0.21 0.00 0.71 0.00 0.00 52.55 54.40 1ti6 s ASP 241 Cb -0.14 -1.93 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 1ti6 s ASP 241 CO 0.06 -1.47 1.25 0.20 0.21 0.00 0.00 175.17 175.41 1ti6 s ASN 242 N -4.28 5.49 0.00 0.27 0.01 -1.26 -4.83 114.94 110.34 1ti6 s ASN 242 Ca 0.59 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 55.23 1ti6 s ASN 242 Cb -0.12 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1ti6 s ASN 242 CO 0.52 -1.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.32 1ti6 n GLY 243 N 0.57 -0.53 3.52 0.66 0.00 0.09 -4.96 105.19 104.54 1ti6 n GLY 243 Ca 0.11 -1.61 -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 -1.75 3.54 0.46 1.61 2.12 -1.26 -0.04 118.70 123.37 1ti6 s GLU 244 Ca 0.00 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.84 1ti6 s GLU 244 Cb 0.00 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 1ti6 s GLU 244 CO 0.00 0.32 0.06 0.71 -0.54 0.00 0.00 175.26 175.81 1ti6 s TYR 245 N 0.15 1.88 -0.05 5.30 1.51 -0.04 -4.50 117.35 121.59 1ti6 s TYR 245 Ca -0.01 -1.07 -0.01 0.00 -1.01 0.00 0.00 57.07 54.97 1ti6 s TYR 245 Cb -0.14 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1ti6 s TYR 245 CO 0.03 0.02 0.01 0.99 -1.11 0.00 0.00 175.55 175.49 1ti6 s THR 246 N -3.02 0.24 -0.20 -0.71 2.01 0.12 -1.67 115.64 112.41 1ti6 s THR 246 Ca 0.16 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 1ti6 s THR 246 Cb 0.03 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1ti6 s THR 246 CO 0.09 0.21 0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 1ti6 s VAL 247 N 1.63 5.32 -0.12 3.82 1.01 0.12 -0.47 120.40 131.69 1ti6 s VAL 247 Ca -0.01 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1ti6 s VAL 247 Cb -0.13 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1ti6 s VAL 247 CO -0.03 0.44 -0.22 -1.61 0.00 0.00 0.00 175.10 173.67 1ti6 s GLU 248 N 0.41 3.04 -0.02 2.72 2.02 0.13 -2.04 118.70 124.97 1ti6 s GLU 248 Ca 0.07 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.28 1ti6 s GLU 248 Cb -0.11 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 1ti6 s GLU 248 CO -0.01 0.06 -0.25 0.42 0.02 0.00 0.00 175.26 175.50 1ti6 s ILE 249 N 0.62 2.00 -0.12 -1.63 1.01 0.11 -0.86 121.20 122.32 1ti6 s ILE 249 Ca -0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1ti6 s ILE 249 Cb -0.16 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.69 1ti6 s ILE 249 CO 0.02 0.56 0.03 -0.62 0.00 0.00 0.00 174.94 174.94 1ti6 s ASP 250 N -0.53 2.08 -0.09 3.58 -1.08 -0.40 -0.81 116.67 119.43 1ti6 s ASP 250 Ca 0.08 -0.39 -0.04 0.00 -0.52 0.00 0.00 52.55 51.68 1ti6 s ASP 250 Cb -0.10 -0.42 0.05 0.00 -1.46 0.00 0.00 42.92 40.98 1ti6 s ASP 250 CO -0.00 -0.26 0.18 0.00 0.52 0.00 0.00 175.17 175.61 1ti6 s ALA 251 N 1.99 -0.32 -1.46 3.66 0.00 0.03 -1.75 121.76 123.91 1ti6 s ALA 251 Ca 0.03 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1ti6 s ALA 251 Cb -0.14 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.35 1ti6 s ALA 251 CO -0.06 -0.36 1.02 -0.25 0.00 0.00 0.00 175.76 176.10 1ti6 n ASP 252 N 4.72 -4.83 0.00 0.00 8.00 -1.26 -0.86 116.55 122.32 1ti6 n ASP 252 Ca -0.17 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1ti6 n ASP 252 Cb 0.51 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 1ti6 n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 253 N -1.76 2.10 3.68 0.44 0.00 -1.26 -4.94 105.19 103.46 1ti6 n GLY 253 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.32 0.22 1.61 1.02 -0.04 -5.03 119.74 121.85 1ti6 s LYS 254 Ca 0.00 1.75 0.09 0.00 0.02 0.00 0.00 55.97 57.83 1ti6 s LYS 254 Cb 0.00 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1ti6 s LYS 254 CO 0.00 -0.51 -0.03 -1.54 -0.92 0.00 0.00 175.35 172.36 1ti6 s SER 255 N 1.64 4.52 -0.03 2.83 1.04 -1.26 -0.79 113.70 121.66 1ti6 s SER 255 Ca 0.58 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.34 1ti6 s SER 255 Cb -0.26 -0.86 0.02 0.00 0.10 0.00 0.00 66.02 65.02 1ti6 s SER 255 CO 0.22 0.05 0.25 -0.47 0.98 0.00 0.00 173.24 174.27 1ti6 s TYR 256 N -1.99 -0.13 0.04 5.02 5.04 0.01 -4.99 117.35 120.36 1ti6 s TYR 256 Ca 0.28 0.22 -0.17 0.00 -2.44 0.00 0.00 57.07 54.97 1ti6 s TYR 256 Cb -0.08 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.31 1ti6 s TYR 256 CO 0.18 -0.31 0.38 -1.54 -1.34 0.00 0.00 175.55 172.92 1ti6 s SER 257 N -1.07 -0.23 -0.06 4.32 1.04 -1.26 0.04 113.70 116.48 1ti6 s SER 257 Ca -0.11 -0.06 -0.31 0.00 0.48 0.00 0.00 55.95 55.95 1ti6 s SER 257 Cb -0.05 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.58 1ti6 s SER 257 CO 0.03 -0.65 1.02 -0.62 0.98 0.00 0.00 173.24 174.00 1ti6 s ASP 258 N -2.02 -0.26 -0.09 7.02 2.15 -0.86 -5.00 116.67 117.61 1ti6 s ASP 258 Ca -0.05 -0.04 -0.03 0.00 0.43 0.00 0.00 52.55 52.86 1ti6 s ASP 258 Cb -0.01 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.88 1ti6 s ASP 258 CO -0.03 -0.49 0.05 0.42 -0.17 0.00 0.00 175.17 174.95 1ti6 s THR 259 N -2.86 4.69 -0.02 1.71 -4.23 -1.26 -0.70 115.64 112.96 1ti6 s THR 259 Ca 0.07 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1ti6 s THR 259 Cb -0.01 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1ti6 s THR 259 CO -0.07 0.59 -0.07 0.54 -0.54 0.00 0.00 174.62 175.07 1ti6 s VAL 260 N -0.95 0.63 -0.20 2.29 0.11 -0.67 -4.98 120.40 116.62 1ti6 s VAL 260 Ca 0.15 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 1ti6 s VAL 260 Cb -0.12 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1ti6 s VAL 260 CO 0.04 0.20 0.05 -0.69 -3.33 0.00 0.00 175.10 171.37 1ti6 s VAL 261 N 0.17 4.48 -0.37 2.04 1.01 -1.26 -0.86 120.40 125.61 1ti6 s VAL 261 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1ti6 s VAL 261 Cb -0.07 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ti6 s VAL 261 CO 0.00 0.43 0.25 -0.63 0.00 0.00 0.00 175.10 175.15 1ti6 s ILE 262 N 0.76 5.16 -0.50 2.22 -1.09 0.94 -4.93 121.20 123.75 1ti6 s ILE 262 Ca 0.03 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.05 1ti6 s ILE 262 Cb -0.14 -3.75 0.19 0.00 -1.58 0.00 0.00 42.46 37.19 1ti6 s ILE 262 CO 0.02 -0.13 0.46 -0.67 -1.23 0.00 0.00 174.94 173.39 1ti6 n ASP 263 N 5.11 0.95 -0.76 3.58 2.03 -1.26 -0.73 116.55 125.46 1ti6 n ASP 263 Ca -0.12 -2.75 -0.10 0.00 0.52 0.00 0.00 54.79 52.34 1ti6 n ASP 263 Cb 0.48 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 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 2.13 -5.44 -3.99 1.67 8.00 -1.26 -4.94 116.55 112.71 1ti6 n ASP 264 Ca 0.26 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.92 1ti6 n ASP 264 Cb 0.45 -3.82 -0.11 0.00 -0.02 0.00 0.00 41.12 37.63 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 -2.74 0.35 -0.01 -1.24 1.02 -1.26 -5.04 119.74 110.82 1ti6 s LYS 265 Ca 0.00 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 1ti6 s LYS 265 Cb 0.00 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 1ti6 s LYS 265 CO 0.00 -0.06 0.29 -1.12 -0.92 0.00 0.00 175.35 173.54 1ti6 s SER 266 N -1.64 6.55 -0.10 2.83 0.01 -1.26 -4.62 113.70 115.47 1ti6 s SER 266 Ca -0.13 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.78 1ti6 s SER 266 Cb -0.08 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1ti6 s SER 266 CO -0.02 0.29 -0.14 -0.69 0.41 0.00 0.00 173.24 173.08 1ti6 s VAL 267 N -1.22 3.00 -0.31 3.43 1.01 0.04 -4.08 120.40 122.27 1ti6 s VAL 267 Ca 0.25 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1ti6 s VAL 267 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1ti6 s VAL 267 CO 0.14 0.55 0.11 -0.62 0.00 0.00 0.00 175.10 175.28 1ti6 s ASP 268 N 0.01 5.31 0.00 3.32 2.15 -1.26 -0.75 116.67 125.46 1ti6 s ASP 268 Ca -0.04 -0.73 0.28 0.00 0.43 0.00 0.00 52.55 52.48 1ti6 s ASP 268 Cb -0.14 -1.92 1.49 0.00 -0.30 0.00 0.00 42.92 42.04 1ti6 s ASP 268 CO 0.04 -0.23 1.97 0.18 -0.17 0.00 0.00 175.17 176.96 1ti6 n LEU 269 N 4.90 0.00 0.00 -1.34 4.77 0.56 -4.97 117.00 120.93 1ti6 n LEU 269 Ca -0.14 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1ti6 n LEU 269 Cb 0.48 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ti6 n LEU 269 CO 0.33 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1ti6 n GLY 270 N 0.92 -0.32 3.71 -0.72 0.00 -1.26 -4.73 105.19 102.79 1ti6 n GLY 270 Ca 0.16 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 3.65 -0.43 1.61 2.99 -1.26 -1.46 117.98 123.08 1ti6 s PHE 271 Ca 0.00 1.68 -0.07 0.00 0.00 0.00 0.00 56.93 58.54 1ti6 s PHE 271 Cb 0.00 -3.13 0.10 0.00 0.00 0.00 0.00 43.02 39.99 1ti6 s PHE 271 CO 0.00 -0.07 0.26 0.42 -0.00 0.00 0.00 175.22 175.83 1ti6 s ILE 272 N 1.03 3.83 -0.18 0.64 1.01 0.85 -4.94 121.20 123.44 1ti6 s ILE 272 Ca 0.52 -1.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.15 1ti6 s ILE 272 Cb -0.21 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1ti6 s ILE 272 CO 0.28 -0.65 0.86 -0.54 0.00 0.00 0.00 174.94 174.89 1ti6 s LYS 273 N 1.29 4.28 0.00 2.79 1.02 -1.26 -1.21 119.74 126.65 1ti6 s LYS 273 Ca 0.05 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1ti6 s LYS 273 Cb -0.24 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1ti6 s LYS 273 CO -0.01 -0.39 0.32 1.28 -0.92 0.00 0.00 175.35 175.63