#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqk s VAL 3 N 0.00 0.00 -0.12 3.53 0.11 -1.26 -5.09 120.40 117.56 1aqk s VAL 3 Ca 0.00 -1.77 -0.00 0.00 -2.93 0.00 0.00 61.98 57.28 1aqk s VAL 3 Cb 0.00 -2.40 0.02 0.00 -1.53 0.00 0.00 36.38 32.48 1aqk s VAL 3 CO 0.00 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.91 1aqk s LEU 4 N -3.12 1.36 -0.08 2.54 1.43 -1.26 -4.41 118.68 115.15 1aqk s LEU 4 Ca 0.33 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1aqk s LEU 4 Cb 0.04 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1aqk s LEU 4 CO 0.12 -0.09 0.16 -0.89 0.23 0.00 0.00 176.35 175.87 1aqk s THR 5 N 1.61 5.47 0.01 5.49 2.01 -0.61 -3.86 115.64 125.75 1aqk s THR 5 Ca 0.05 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1aqk s THR 5 Cb -0.13 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1aqk s THR 5 CO -0.09 0.51 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.20 1aqk s GLN 6 N -1.38 0.34 0.25 4.92 -0.21 -1.26 -0.94 119.66 121.38 1aqk s GLN 6 Ca 0.20 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 1aqk s GLN 6 Cb -0.12 -0.25 -0.10 0.00 1.00 0.00 0.00 33.01 33.54 1aqk s GLN 6 CO 0.10 0.06 1.34 -1.25 -2.12 0.00 0.00 175.29 173.42 1aqk s PRO 7 N -0.50 4.36 0.35 2.91 0.04 -1.26 -4.83 135.00 136.06 1aqk s PRO 7 Ca -0.02 2.15 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1aqk s PRO 7 Cb -0.04 -3.14 0.72 0.00 0.04 0.00 0.00 34.50 32.08 1aqk s PRO 7 CO -0.00 -0.26 1.93 -1.35 0.04 0.00 0.00 177.00 177.35 1aqk h PRO 8 N 4.71 0.77 -3.29 0.56 0.11 -1.97 -3.37 132.00 129.52 1aqk h PRO 8 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1aqk h PRO 8 Cb 1.22 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 1aqk h PRO 8 CO 0.74 0.51 -0.12 -1.54 -0.21 0.00 0.00 178.00 177.38 1aqk s SER 9 N -6.05 -0.21 0.01 -2.05 1.04 -1.26 -0.54 113.70 104.63 1aqk s SER 9 Ca -0.10 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 1aqk s SER 9 Cb 0.20 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1aqk s SER 9 CO 0.78 -0.75 0.16 0.68 0.98 0.00 0.00 173.24 175.08 1aqk s VAL 10 N -3.21 0.09 0.16 5.02 -7.23 -0.80 -4.88 120.40 109.55 1aqk s VAL 10 Ca -0.01 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1aqk s VAL 10 Cb 0.01 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.29 1aqk s VAL 10 CO -0.08 -0.43 -0.08 -0.55 -0.31 0.00 0.00 175.10 173.66 1aqk s SER 11 N -1.63 1.76 -0.01 4.85 0.15 -1.26 0.56 113.70 118.12 1aqk s SER 11 Ca -0.11 -1.06 -0.29 0.00 0.70 0.00 0.00 55.95 55.18 1aqk s SER 11 Cb -0.05 0.00 0.10 0.00 -1.71 0.00 0.00 66.02 64.36 1aqk s SER 11 CO -0.00 -0.38 1.06 -0.83 1.20 0.00 0.00 173.24 174.29 1aqk s GLY 12 N -3.19 -0.35 0.20 9.45 0.00 -0.96 -4.97 107.32 107.49 1aqk s GLY 12 Ca 0.19 0.84 0.05 0.00 0.00 0.00 0.00 44.72 45.80 1aqk s GLY 12 CO 0.02 0.25 0.24 0.00 0.00 0.00 0.00 173.10 173.61 1aqk s ALA 13 N -2.87 3.77 0.49 3.20 0.00 -1.26 -0.09 121.76 125.00 1aqk s ALA 13 Ca 0.10 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 1aqk s ALA 13 Cb 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.46 1aqk s ALA 13 CO -0.04 0.40 0.43 -2.30 0.00 0.00 0.00 175.76 174.24 1aqk n PRO 14 N -0.83 0.45 0.00 0.00 -0.02 -1.26 -0.80 135.00 132.54 1aqk n PRO 14 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1aqk n PRO 14 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1aqk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqk n GLY 15 N 1.90 1.69 1.06 -1.23 0.00 0.29 -4.75 105.19 104.16 1aqk n GLY 15 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1aqk n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqk n GLN 16 N -1.65 -0.32 -4.72 1.61 10.64 0.02 -3.44 117.38 119.52 1aqk n GLN 16 Ca 0.00 -0.58 -0.24 0.00 -1.83 0.00 0.00 57.00 54.36 1aqk n GLN 16 Cb 0.00 -0.37 -0.15 0.00 -0.86 0.00 0.00 30.24 28.86 1aqk n GLN 16 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1aqk s ARG 17 N -3.77 1.31 0.21 2.61 3.52 -1.26 -0.59 118.95 120.98 1aqk s ARG 17 Ca 0.21 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1aqk s ARG 17 Cb -0.01 -1.29 -0.05 0.00 -1.56 0.00 0.00 34.95 32.05 1aqk s ARG 17 CO 0.14 0.35 0.03 0.14 -0.81 0.00 0.00 175.30 175.15 1aqk s VAL 18 N -0.50 0.73 0.02 7.11 -7.23 -0.69 -5.00 120.40 114.83 1aqk s VAL 18 Ca 0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 1aqk s VAL 18 Cb -0.07 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1aqk s VAL 18 CO -0.00 -0.29 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.47 1aqk s THR 19 N -3.63 1.15 -0.19 5.32 2.01 -1.26 -1.32 115.64 117.71 1aqk s THR 19 Ca 0.29 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1aqk s THR 19 Cb 0.07 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.62 1aqk s THR 19 CO 0.08 0.15 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.43 1aqk s ILE 20 N -0.62 1.62 0.46 1.82 1.01 0.12 -4.94 121.20 120.67 1aqk s ILE 20 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1aqk s ILE 20 Cb -0.07 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1aqk s ILE 20 CO 0.01 0.20 0.73 -0.94 0.00 0.00 0.00 174.94 174.93 1aqk s SER 21 N 1.41 6.07 -0.13 3.58 1.04 -1.26 -0.61 113.70 123.80 1aqk s SER 21 Ca -0.00 0.65 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 1aqk s SER 21 Cb -0.16 -1.96 0.05 0.00 0.10 0.00 0.00 66.02 64.05 1aqk s SER 21 CO -0.08 -0.62 0.07 0.00 0.98 0.00 0.00 173.24 173.59 1aqk s THR 23 N 2.12 4.02 0.00 0.00 2.01 -0.12 -0.56 115.64 123.11 1aqk s THR 23 Ca 0.03 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1aqk s THR 23 Cb -0.15 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1aqk s THR 23 CO -0.07 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1aqk n GLY 24 N 4.33 5.15 2.52 4.40 0.00 0.35 -1.58 105.19 120.37 1aqk n GLY 24 Ca -0.17 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1aqk n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqk n SER 25 N 0.00 -0.80 0.02 1.61 3.41 -1.26 -4.84 113.62 111.76 1aqk n SER 25 Ca 0.00 -2.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.06 1aqk n SER 25 Cb 0.00 1.63 0.07 0.00 -0.26 0.00 0.00 64.21 65.65 1aqk n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aqk n ASN 26 N -1.87 0.07 0.02 4.04 5.03 -1.26 -1.65 115.26 119.64 1aqk n ASN 26 Ca 0.03 0.43 0.11 0.00 0.87 0.00 0.00 54.58 56.02 1aqk n ASN 26 Cb 0.46 -0.43 -0.12 0.00 -1.02 0.00 0.00 39.78 38.66 1aqk n ASN 26 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1aqk n SER 27 N -1.50 0.25 0.00 6.41 3.41 -1.26 -3.40 113.62 117.53 1aqk n SER 27 Ca -0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1aqk n SER 27 Cb 0.12 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 1aqk n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1aqk n ASN 28 N -2.29 0.00 -0.31 4.04 0.23 -0.71 -4.54 115.26 111.67 1aqk n ASN 28 Ca -0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.10 1aqk n ASN 28 Cb 0.55 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.41 1aqk n ASN 28 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1aqk n ILE 29 N 0.00 -0.37 0.31 1.53 5.41 -1.24 0.12 119.36 125.11 1aqk n ILE 29 Ca 0.00 1.99 0.19 0.00 1.00 0.00 0.00 62.75 65.93 1aqk n ILE 29 Cb 0.00 -2.80 0.95 0.00 -0.71 0.00 0.00 39.64 37.08 1aqk n ILE 29 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1aqk h GLY 30 N 0.00 0.00 -1.90 7.39 0.00 -1.47 -1.96 103.07 105.12 1aqk h GLY 30 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1aqk h GLY 30 CO -0.88 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.66 1aqk n ALA 31 N -2.12 2.57 0.00 3.60 0.00 0.31 -4.91 120.51 119.97 1aqk n ALA 31 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1aqk n ALA 31 Cb 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1aqk n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqk n GLY 32 N 1.14 1.97 3.77 0.00 0.00 -0.74 -5.03 105.19 106.29 1aqk n GLY 32 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1aqk n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqk s PHE 33 N -2.56 2.68 0.65 1.61 0.08 -1.20 -4.97 117.98 114.27 1aqk s PHE 33 Ca 0.00 1.39 -0.07 0.00 0.12 0.00 0.00 56.93 58.37 1aqk s PHE 33 Cb 0.00 -3.71 0.03 0.00 -0.57 0.00 0.00 43.02 38.77 1aqk s PHE 33 CO 0.00 -2.32 0.97 -0.08 -0.10 0.00 0.00 175.22 173.70 1aqk s THR 34 N -1.28 3.05 -0.04 0.64 -1.32 -1.26 -4.39 115.64 111.05 1aqk s THR 34 Ca 0.60 -0.05 0.06 0.00 -1.21 0.00 0.00 61.69 61.10 1aqk s THR 34 Cb -0.39 -3.27 -0.01 0.00 -1.51 0.00 0.00 72.50 67.32 1aqk s THR 34 CO 0.49 -0.29 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.69 1aqk s VAL 35 N -3.15 1.88 0.17 5.08 1.01 -1.26 -4.38 120.40 119.75 1aqk s VAL 35 Ca 0.57 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1aqk s VAL 35 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1aqk s VAL 35 CO 0.46 0.53 -0.20 -1.00 0.00 0.00 0.00 175.10 174.89 1aqk s HIS 36 N -0.28 1.94 -0.02 5.22 3.76 -0.85 -1.03 115.29 124.04 1aqk s HIS 36 Ca 0.01 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1aqk s HIS 36 Cb -0.12 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 1aqk s HIS 36 CO 0.02 0.36 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.51 1aqk s TRP 37 N -1.87 1.63 0.03 1.40 0.52 0.03 -0.81 118.94 119.87 1aqk s TRP 37 Ca 0.16 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.99 1aqk s TRP 37 Cb -0.07 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1aqk s TRP 37 CO 0.07 -0.05 -0.13 0.71 0.02 0.00 0.00 176.95 177.57 1aqk s TYR 38 N -0.35 1.17 -0.04 -1.98 1.51 -0.86 -0.53 117.35 116.27 1aqk s TYR 38 Ca 0.05 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1aqk s TYR 38 Cb -0.08 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1aqk s TYR 38 CO -0.00 0.02 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.29 1aqk s GLN 39 N -0.97 2.80 -0.13 -0.62 0.74 0.71 -2.20 119.66 119.99 1aqk s GLN 39 Ca 0.02 -0.55 -0.07 0.00 0.05 0.00 0.00 55.36 54.81 1aqk s GLN 39 Cb -0.07 -2.66 0.05 0.00 1.10 0.00 0.00 33.01 31.43 1aqk s GLN 39 CO 0.01 0.66 0.32 -1.58 -0.55 0.00 0.00 175.29 174.14 1aqk s HIS 40 N -0.94 -0.44 -0.31 1.67 2.46 0.26 -1.78 115.29 116.22 1aqk s HIS 40 Ca 0.15 0.99 0.01 0.00 0.47 0.00 0.00 55.06 56.68 1aqk s HIS 40 Cb -0.11 0.14 0.07 0.00 -0.13 0.00 0.00 32.58 32.55 1aqk s HIS 40 CO 0.05 -0.27 -0.00 -1.17 -2.47 0.00 0.00 174.74 170.87 1aqk s LEU 41 N 1.25 4.06 0.39 8.88 0.20 -1.26 -0.01 118.68 132.19 1aqk s LEU 41 Ca -0.09 -1.56 0.33 0.00 0.69 0.00 0.00 54.13 53.51 1aqk s LEU 41 Cb -0.09 -1.66 1.26 0.00 -0.43 0.00 0.00 46.19 45.27 1aqk s LEU 41 CO -0.10 -0.29 1.19 -2.65 -0.29 0.00 0.00 176.35 174.21 1aqk n PRO 42 N 4.49 -0.01 0.00 0.98 -0.02 -1.26 0.31 135.00 139.49 1aqk n PRO 42 Ca -0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1aqk n PRO 42 Cb 0.42 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1aqk n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqk n GLY 43 N -1.59 1.42 3.62 -1.23 0.00 -1.26 -4.73 105.19 101.41 1aqk n GLY 43 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1aqk n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqk s THR 44 N -0.74 0.00 0.43 2.61 2.01 0.15 -5.16 115.64 114.95 1aqk s THR 44 Ca 0.00 -1.37 -0.06 0.00 0.31 0.00 0.00 61.69 60.57 1aqk s THR 44 Cb 0.00 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1aqk s THR 44 CO 0.00 0.00 0.74 0.00 -0.69 0.00 0.00 174.62 174.67 1aqk s ALA 45 N -3.90 3.43 1.01 7.40 0.00 -1.26 -4.72 121.76 123.72 1aqk s ALA 45 Ca 0.22 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1aqk s ALA 45 Cb -0.01 -2.55 0.20 0.00 0.00 0.00 0.00 23.12 20.75 1aqk s ALA 45 CO 0.10 -0.17 1.08 -2.14 0.00 0.00 0.00 175.76 174.63 1aqk s PRO 46 N -4.34 0.32 -0.07 0.00 0.02 -1.26 -4.79 135.00 124.88 1aqk s PRO 46 Ca 0.47 1.03 0.02 0.00 0.02 0.00 0.00 61.00 62.55 1aqk s PRO 46 Cb -0.10 -1.68 0.01 0.00 0.02 0.00 0.00 34.50 32.74 1aqk s PRO 46 CO 0.39 -2.94 -0.13 0.21 -0.33 0.00 0.00 177.00 174.20 1aqk s LYS 47 N -4.67 1.79 0.05 5.54 2.20 -0.73 -4.95 119.74 118.97 1aqk s LYS 47 Ca 0.66 -0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 1aqk s LYS 47 Cb -0.22 -1.47 -0.06 0.00 -1.51 0.00 0.00 37.83 34.57 1aqk s LYS 47 CO 0.60 0.04 1.29 -1.17 -0.36 0.00 0.00 175.35 175.76 1aqk s LEU 48 N 0.63 4.35 -0.21 5.43 2.96 -1.26 -0.21 118.68 130.36 1aqk s LEU 48 Ca -0.15 2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 55.76 1aqk s LEU 48 Cb -0.16 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1aqk s LEU 48 CO 0.04 -0.58 -0.28 -0.11 -1.32 0.00 0.00 176.35 174.10 1aqk n LEU 49 N 4.34 1.53 -3.93 -0.68 7.94 0.31 -4.88 117.00 121.64 1aqk n LEU 49 Ca 0.11 0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 55.13 1aqk n LEU 49 Cb 0.45 -0.64 -0.14 0.00 0.53 0.00 0.00 43.42 43.62 1aqk n LEU 49 CO 0.57 0.41 -0.38 -0.63 -1.11 0.00 0.00 177.39 176.24 1aqk s ILE 50 N -2.41 0.25 0.08 1.96 -1.09 -1.15 -4.21 121.20 114.62 1aqk s ILE 50 Ca -0.30 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1aqk s ILE 50 Cb 0.11 -0.23 -0.03 0.00 -1.58 0.00 0.00 42.46 40.73 1aqk s ILE 50 CO 0.38 0.01 -0.10 0.72 -1.23 0.00 0.00 174.94 174.72 1aqk s PHE 51 N -0.22 1.00 -1.05 3.97 -0.12 0.20 -0.79 117.98 120.97 1aqk s PHE 51 Ca -0.00 -0.62 -0.16 0.00 -0.05 0.00 0.00 56.93 56.10 1aqk s PHE 51 Cb -0.02 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.81 1aqk s PHE 51 CO -0.00 -0.02 0.76 0.00 -0.05 0.00 0.00 175.22 175.91 1aqk n ALA 52 N 0.78 -2.58 0.00 1.99 0.00 -1.16 -0.61 120.51 118.93 1aqk n ALA 52 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1aqk n ALA 52 Cb 0.57 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1aqk n ALA 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aqk n ASN 53 N -2.55 0.00 0.00 0.00 3.02 -0.19 -3.60 115.26 111.93 1aqk n ASN 53 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1aqk n ASN 53 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1aqk n ASN 53 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1aqk n THR 54 N 0.00 0.24 -3.15 3.41 -2.24 -1.22 -3.71 114.28 107.60 1aqk n THR 54 Ca 0.00 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 1aqk n THR 54 Cb 0.00 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 1aqk n THR 54 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1aqk s ASN 55 N -0.24 7.15 -0.19 3.42 -0.87 0.22 -4.66 114.94 119.77 1aqk s ASN 55 Ca 0.00 1.37 -0.00 0.00 -1.57 0.00 0.00 52.86 52.66 1aqk s ASN 55 Cb 0.00 -2.41 0.01 0.00 -0.02 0.00 0.00 41.25 38.83 1aqk s ASN 55 CO 0.00 0.20 -0.16 -0.60 -2.57 0.00 0.00 177.10 173.97 1aqk s ARG 56 N -0.83 3.07 0.86 -0.60 3.52 -1.26 0.62 118.95 124.32 1aqk s ARG 56 Ca 0.32 -0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 1aqk s ARG 56 Cb -0.20 -2.68 0.11 0.00 -1.56 0.00 0.00 34.95 30.61 1aqk s ARG 56 CO 0.21 -0.22 1.14 -1.25 -0.81 0.00 0.00 175.30 174.37 1aqk s PRO 57 N 1.33 1.44 0.29 5.12 0.04 -1.26 -4.94 135.00 137.03 1aqk s PRO 57 Ca 0.05 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 1aqk s PRO 57 Cb -0.13 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1aqk s PRO 57 CO -0.10 -2.31 1.00 -1.54 0.04 0.00 0.00 177.00 174.09 1aqk s SER 58 N -2.78 7.36 0.00 6.66 1.04 -1.26 -2.84 113.70 121.89 1aqk s SER 58 Ca 0.66 2.02 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1aqk s SER 58 Cb -0.22 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1aqk s SER 58 CO 0.56 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1aqk n GLY 59 N 1.04 1.44 3.68 7.32 0.00 -1.26 -5.05 105.19 112.36 1aqk n GLY 59 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1aqk n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqk s VAL 60 N -1.04 4.85 0.72 1.61 1.01 -1.13 -5.04 120.40 121.38 1aqk s VAL 60 Ca 0.00 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 1aqk s VAL 60 Cb 0.00 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1aqk s VAL 60 CO 0.00 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.08 1aqk s PRO 61 N 1.98 2.46 0.34 2.72 0.04 -1.26 -4.88 135.00 136.39 1aqk s PRO 61 Ca 0.43 1.30 0.13 0.00 0.04 0.00 0.00 61.00 62.90 1aqk s PRO 61 Cb -0.17 -1.91 0.99 0.00 0.04 0.00 0.00 34.50 33.45 1aqk s PRO 61 CO 0.15 -1.51 1.70 0.22 0.04 0.00 0.00 177.00 177.61 1aqk h ASP 62 N -0.60 0.59 0.00 6.66 3.58 -1.99 -1.98 116.42 122.68 1aqk h ASP 62 Ca -0.45 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1aqk h ASP 62 Cb 1.24 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1aqk h ASP 62 CO 0.52 0.00 0.00 0.03 -2.88 0.00 0.00 179.24 176.91 1aqk h ARG 63 N 0.46 0.00 -5.45 0.28 3.08 -1.92 -3.43 114.38 107.40 1aqk h ARG 63 Ca 0.68 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 60.10 1aqk h ARG 63 Cb 1.45 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.39 1aqk h ARG 63 CO -0.51 0.00 -0.51 -0.06 -1.07 0.00 0.00 179.97 177.81 1aqk s PHE 64 N -3.86 3.42 0.09 3.04 0.40 -0.75 -1.75 117.98 118.57 1aqk s PHE 64 Ca -0.04 0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.47 1aqk s PHE 64 Cb 0.10 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1aqk s PHE 64 CO 0.31 0.43 0.37 -1.54 0.70 0.00 0.00 175.22 175.49 1aqk s SER 65 N -0.20 -0.20 0.21 1.36 1.04 -0.63 -4.99 113.70 110.28 1aqk s SER 65 Ca 0.10 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1aqk s SER 65 Cb -0.12 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1aqk s SER 65 CO 0.01 -0.76 -0.14 -0.83 0.98 0.00 0.00 173.24 172.50 1aqk s GLY 66 N -2.49 1.43 0.23 7.32 0.00 -1.26 -0.75 107.32 111.79 1aqk s GLY 66 Ca -0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 1aqk s GLY 66 CO -0.08 -1.75 0.39 -1.35 0.00 0.00 0.00 173.10 170.31 1aqk s SER 67 N -3.31 -0.03 -0.17 1.64 1.04 -1.00 -4.60 113.70 107.26 1aqk s SER 67 Ca 0.23 -1.01 -0.26 0.00 0.48 0.00 0.00 55.95 55.38 1aqk s SER 67 Cb -0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.71 1aqk s SER 67 CO 0.07 -1.05 0.67 -0.75 0.98 0.00 0.00 173.24 173.15 1aqk s LYS 68 N -4.04 0.89 -0.27 4.02 2.36 -1.26 -1.86 119.74 119.57 1aqk s LYS 68 Ca 0.25 0.66 -0.18 0.00 -2.55 0.00 0.00 55.97 54.16 1aqk s LYS 68 Cb 0.01 0.43 0.08 0.00 -1.05 0.00 0.00 37.83 37.30 1aqk s LYS 68 CO 0.09 -0.18 0.69 0.45 1.55 0.00 0.00 175.35 177.94 1aqk s SER 69 N -0.26 -0.89 1.82 1.43 0.15 -0.24 -5.00 113.70 110.70 1aqk s SER 69 Ca -0.04 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1aqk s SER 69 Cb -0.03 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1aqk s SER 69 CO 0.04 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1aqk n GLY 70 N 3.99 2.42 0.54 9.45 0.00 -1.26 -0.86 105.19 119.48 1aqk n GLY 70 Ca -0.19 0.33 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1aqk n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aqk n THR 71 N 0.00 2.12 -4.34 2.61 -2.24 -1.26 -4.17 114.28 107.00 1aqk n THR 71 Ca 0.00 -2.05 -0.18 0.00 -2.27 0.00 0.00 64.05 59.56 1aqk n THR 71 Cb 0.00 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 1aqk n THR 71 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1aqk s SER 72 N -2.34 2.35 0.17 3.42 0.01 -0.04 -0.50 113.70 116.78 1aqk s SER 72 Ca 0.38 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1aqk s SER 72 Cb 0.32 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.40 1aqk s SER 72 CO 0.06 -0.28 -0.01 0.00 0.41 0.00 0.00 173.24 173.42 1aqk s ALA 73 N -3.11 1.36 0.02 1.44 0.00 0.27 -1.08 121.76 120.66 1aqk s ALA 73 Ca 0.23 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 1aqk s ALA 73 Cb 0.02 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1aqk s ALA 73 CO 0.07 -0.29 0.34 0.45 0.00 0.00 0.00 175.76 176.33 1aqk s SER 74 N -3.17 -0.20 -0.06 0.00 0.15 -0.78 -0.34 113.70 109.29 1aqk s SER 74 Ca 0.23 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.90 1aqk s SER 74 Cb 0.06 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1aqk s SER 74 CO 0.03 -0.56 -0.17 -0.22 1.20 0.00 0.00 173.24 173.52 1aqk s LEU 75 N -1.74 1.86 -0.02 3.45 2.96 0.21 -2.36 118.68 123.04 1aqk s LEU 75 Ca -0.09 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1aqk s LEU 75 Cb -0.02 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1aqk s LEU 75 CO 0.00 0.11 -0.15 0.00 -1.32 0.00 0.00 176.35 174.99 1aqk s ALA 76 N 0.34 2.64 -0.06 5.97 0.00 0.07 0.10 121.76 130.82 1aqk s ALA 76 Ca -0.11 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1aqk s ALA 76 Cb -0.15 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1aqk s ALA 76 CO 0.04 0.56 -0.07 0.42 0.00 0.00 0.00 175.76 176.71 1aqk s ILE 77 N -0.79 0.80 0.31 0.00 1.01 -0.44 -1.61 121.20 120.48 1aqk s ILE 77 Ca 0.13 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.61 1aqk s ILE 77 Cb -0.11 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1aqk s ILE 77 CO 0.02 0.29 0.11 0.42 0.00 0.00 0.00 174.94 175.78 1aqk s THR 78 N 1.04 3.35 -1.22 2.92 -4.23 -0.72 -1.71 115.64 115.07 1aqk s THR 78 Ca -0.08 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 1aqk s THR 78 Cb -0.14 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1aqk s THR 78 CO -0.00 -0.26 0.77 0.61 -0.54 0.00 0.00 174.62 175.19 1aqk n GLY 79 N -1.08 -0.59 3.56 3.99 0.00 -0.39 -4.81 105.19 105.88 1aqk n GLY 79 Ca -0.05 0.27 -0.51 0.00 0.00 0.00 0.00 46.02 45.73 1aqk n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aqk n LEU 80 N -4.07 1.23 -4.42 0.99 4.77 0.25 -4.30 117.00 111.45 1aqk n LEU 80 Ca -0.22 1.14 -0.22 0.00 -0.03 0.00 0.00 56.01 56.68 1aqk n LEU 80 Cb 0.65 -1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1aqk n LEU 80 CO 0.66 -1.38 -0.46 -1.10 -1.33 0.00 0.00 177.39 173.79 1aqk s GLN 81 N -0.08 1.54 0.12 3.23 -0.21 -1.26 0.11 119.66 123.11 1aqk s GLN 81 Ca 0.79 -1.71 -0.21 0.00 0.02 0.00 0.00 55.36 54.25 1aqk s GLN 81 Cb -0.94 -1.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1aqk s GLN 81 CO 0.51 0.26 1.70 0.00 -2.12 0.00 0.00 175.29 175.64 1aqk h ALA 82 N 2.37 0.07 0.00 6.09 0.00 -1.97 -0.46 119.26 125.36 1aqk h ALA 82 Ca -0.39 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1aqk h ALA 82 Cb 1.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1aqk h ALA 82 CO 0.61 -0.51 0.01 -0.85 0.00 0.00 0.00 179.25 178.52 1aqk n GLU 83 N -5.20 0.00 0.00 0.00 0.00 -1.26 -1.05 120.64 113.13 1aqk n GLU 83 Ca -0.03 0.42 0.14 0.00 0.00 0.00 0.00 57.16 57.69 1aqk n GLU 83 Cb 0.13 -1.51 0.59 0.00 0.00 0.00 0.00 31.44 30.65 1aqk n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1aqk n ASP 84 N -1.42 0.22 -4.63 -1.84 8.00 -0.18 -4.78 116.55 111.92 1aqk n ASP 84 Ca 0.00 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 1aqk n ASP 84 Cb 0.01 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1aqk n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1aqk s GLU 85 N -2.75 3.57 0.00 -1.24 2.12 -0.22 -4.86 118.70 115.32 1aqk s GLU 85 Ca 0.21 2.20 -0.11 0.00 0.36 0.00 0.00 54.97 57.63 1aqk s GLU 85 Cb 0.19 -4.26 0.04 0.00 0.26 0.00 0.00 34.13 30.36 1aqk s GLU 85 CO 0.52 -1.60 0.51 0.00 -0.54 0.00 0.00 175.26 174.15 1aqk n ALA 86 N 9.83 -1.43 -2.88 6.30 0.00 -1.24 -4.94 120.51 126.15 1aqk n ALA 86 Ca 0.25 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1aqk n ALA 86 Cb 0.44 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1aqk n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aqk s ASP 87 N -2.14 6.24 -0.04 0.00 1.01 0.98 -1.20 116.67 121.53 1aqk s ASP 87 Ca 0.12 0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.74 1aqk s ASP 87 Cb -0.00 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1aqk s ASP 87 CO 0.00 0.29 -0.12 -0.31 0.21 0.00 0.00 175.17 175.24 1aqk s TYR 88 N -1.25 1.25 -0.02 4.23 1.51 -0.41 0.91 117.35 123.57 1aqk s TYR 88 Ca 0.24 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 1aqk s TYR 88 Cb -0.12 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1aqk s TYR 88 CO 0.15 -0.15 -0.15 0.71 -1.11 0.00 0.00 175.55 175.00 1aqk s TYR 89 N 0.26 1.37 0.43 2.71 1.51 -0.93 -1.42 117.35 121.28 1aqk s TYR 89 Ca -0.06 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1aqk s TYR 89 Cb -0.11 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1aqk s TYR 89 CO 0.02 -0.06 0.62 0.00 -1.11 0.00 0.00 175.55 175.01 1aqk s GLN 91 N -4.46 0.77 0.00 0.00 -0.44 0.01 -2.27 119.66 113.26 1aqk s GLN 91 Ca 0.49 0.79 0.00 0.00 -2.50 0.00 0.00 55.36 54.14 1aqk s GLN 91 Cb -0.10 0.37 0.00 0.00 -1.64 0.00 0.00 33.01 31.64 1aqk s GLN 91 CO 0.36 -0.11 0.00 0.45 0.50 0.00 0.00 175.29 176.48 1aqk n SER 92 N 2.53 0.00 -3.50 6.67 2.88 0.10 -2.00 113.62 120.31 1aqk n SER 92 Ca -0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.26 1aqk n SER 92 Cb 0.56 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 1aqk n SER 92 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1aqk s TYR 93 N -0.12 0.99 0.33 0.66 1.51 -1.26 0.08 117.35 119.53 1aqk s TYR 93 Ca 0.00 -1.22 0.06 0.00 -1.01 0.00 0.00 57.07 54.90 1aqk s TYR 93 Cb 0.00 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1aqk s TYR 93 CO 0.00 -1.04 0.30 0.16 -1.11 0.00 0.00 175.55 173.86 1aqk s ASP 94 N -3.20 1.54 0.00 2.29 1.47 -1.19 -4.51 116.67 113.07 1aqk s ASP 94 Ca 0.31 -1.72 -0.00 0.00 1.18 0.00 0.00 52.55 52.32 1aqk s ASP 94 Cb 0.01 0.56 -0.00 0.00 -0.34 0.00 0.00 42.92 43.15 1aqk s ASP 94 CO 0.18 -1.08 0.67 -1.54 0.68 0.00 0.00 175.17 174.07 1aqk n SER 95 N -1.49 1.72 0.00 2.11 3.41 -1.26 -0.97 113.62 117.14 1aqk n SER 95 Ca 0.07 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1aqk n SER 95 Cb 0.62 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1aqk n SER 95 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1aqk n SER 96 N 1.87 0.98 -0.21 4.04 7.64 -1.26 -5.01 113.62 121.67 1aqk n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1aqk n SER 96 Cb 0.17 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1aqk n SER 96 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1aqk n LEU 97 N -0.98 -0.94 -4.57 -3.43 4.32 -0.15 -5.06 117.00 106.19 1aqk n LEU 97 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 1aqk n LEU 97 Cb 0.10 -0.26 -0.11 0.00 -1.62 0.00 0.00 43.42 41.53 1aqk n LEU 97 CO 0.00 0.00 -0.33 -0.94 -1.22 0.00 0.00 177.39 174.90 1aqk s SER 98 N -2.52 5.01 0.44 -1.43 1.04 -1.26 -5.00 113.70 109.97 1aqk s SER 98 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1aqk s SER 98 Cb 0.00 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.36 1aqk s SER 98 CO 0.00 0.24 1.02 0.00 0.98 0.00 0.00 173.24 175.48 1aqk s ALA 99 N -0.08 2.98 -0.10 5.32 0.00 -1.26 -3.19 121.76 125.43 1aqk s ALA 99 Ca 0.03 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 1aqk s ALA 99 Cb -0.13 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1aqk s ALA 99 CO 0.02 -0.16 -0.07 1.03 0.00 0.00 0.00 175.76 176.58 1aqk s ARG 100 N -2.97 1.42 0.11 0.00 1.81 0.11 -4.92 118.95 114.51 1aqk s ARG 100 Ca 0.63 -0.23 -0.02 0.00 -1.72 0.00 0.00 55.73 54.39 1aqk s ARG 100 Cb -0.16 -1.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.83 1aqk s ARG 100 CO 0.20 -0.22 0.31 -0.06 -0.68 0.00 0.00 175.30 174.85 1aqk s PHE 101 N 1.56 3.49 0.83 -0.53 0.40 -1.26 0.00 117.98 122.47 1aqk s PHE 101 Ca 0.02 0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.67 1aqk s PHE 101 Cb -0.13 -1.89 0.15 0.00 0.51 0.00 0.00 43.02 41.66 1aqk s PHE 101 CO -0.06 0.50 1.15 0.20 0.70 0.00 0.00 175.22 177.70 1aqk s GLY 102 N -2.53 1.75 0.55 4.36 0.00 -0.96 -4.68 107.32 105.81 1aqk s GLY 102 Ca 0.38 -1.35 0.34 0.00 0.00 0.00 0.00 44.72 44.09 1aqk s GLY 102 CO 0.26 -0.72 2.02 -1.33 0.00 0.00 0.00 173.10 173.33 1aqk h GLY 103 N -1.04 0.00 0.00 0.20 0.00 -1.91 -3.45 103.07 96.88 1aqk h GLY 103 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1aqk h GLY 103 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1aqk n GLY 104 N -0.10 2.32 3.02 4.60 0.00 -1.26 -5.05 105.19 108.72 1aqk n GLY 104 Ca 0.00 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 1aqk n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqk s THR 105 N -1.54 1.27 -0.14 2.61 2.01 -0.50 -4.34 115.64 115.01 1aqk s THR 105 Ca 0.00 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 1aqk s THR 105 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1aqk s THR 105 CO 0.00 0.39 0.31 -0.60 -0.69 0.00 0.00 174.62 174.03 1aqk s ARG 106 N 0.96 4.16 -0.18 4.92 3.52 0.30 -1.29 118.95 131.34 1aqk s ARG 106 Ca -0.08 0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 55.55 1aqk s ARG 106 Cb -0.15 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1aqk s ARG 106 CO -0.00 0.32 0.15 -1.17 -0.81 0.00 0.00 175.30 173.79 1aqk s LEU 107 N 0.20 4.24 -0.09 -0.88 2.96 -0.34 -1.91 118.68 122.86 1aqk s LEU 107 Ca 0.18 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1aqk s LEU 107 Cb -0.13 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1aqk s LEU 107 CO 0.05 0.21 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.36 1aqk s THR 108 N 0.15 3.89 -0.38 3.68 2.01 0.19 -3.62 115.64 121.56 1aqk s THR 108 Ca 0.10 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 1aqk s THR 108 Cb -0.11 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1aqk s THR 108 CO -0.00 0.58 0.29 -0.69 -0.69 0.00 0.00 174.62 174.10 1aqk s VAL 109 N -0.59 5.26 1.40 3.82 1.01 -1.26 -2.27 120.40 127.76 1aqk s VAL 109 Ca 0.09 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1aqk s VAL 109 Cb -0.12 -3.84 0.36 0.00 0.00 0.00 0.00 36.38 32.78 1aqk s VAL 109 CO 0.02 -0.18 0.94 -0.76 0.00 0.00 0.00 175.10 175.12 1aqk s LEU 110 N 1.74 -0.90 0.00 3.92 1.02 0.87 -4.63 118.68 120.70 1aqk s LEU 110 Ca 0.06 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.12 1aqk s LEU 110 Cb -0.18 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1aqk s LEU 110 CO 0.11 -5.25 0.00 0.61 0.02 0.00 0.00 176.35 171.83 1aqk n GLY 111 N 1.28 1.04 3.54 -3.19 0.00 -1.26 -4.41 105.19 102.20 1aqk n GLY 111 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1aqk n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqk s GLN 112 N -0.23 3.75 0.52 1.61 1.11 -1.26 -5.06 119.66 120.10 1aqk s GLN 112 Ca 0.00 -0.46 -0.22 0.00 0.01 0.00 0.00 55.36 54.69 1aqk s GLN 112 Cb 0.00 -3.00 -0.07 0.00 -1.01 0.00 0.00 33.01 28.93 1aqk s GLN 112 CO 0.00 0.26 1.19 -0.35 0.01 0.00 0.00 175.29 176.41 1aqk n PRO 113 N 3.49 1.49 -1.94 2.91 -0.04 -1.26 -4.96 135.00 134.69 1aqk n PRO 113 Ca -0.17 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.46 1aqk n PRO 113 Cb 0.52 -2.36 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 1aqk n PRO 113 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1aqk s LYS 114 N -2.60 3.33 -0.02 0.54 2.20 -1.26 -4.84 119.74 117.08 1aqk s LYS 114 Ca 0.69 2.07 -0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1aqk s LYS 114 Cb -0.45 -2.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1aqk s LYS 114 CO 0.51 -0.99 0.03 0.00 -0.36 0.00 0.00 175.35 174.55 1aqk s ALA 115 N -1.39 0.13 0.26 3.13 0.00 -0.05 -4.93 121.76 118.91 1aqk s ALA 115 Ca 0.69 0.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 1aqk s ALA 115 Cb -0.36 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 1aqk s ALA 115 CO 0.43 -0.17 0.89 0.00 0.00 0.00 0.00 175.76 176.91 1aqk s ALA 116 N 1.26 3.31 0.47 0.00 0.00 -1.26 -1.98 121.76 123.55 1aqk s ALA 116 Ca -0.07 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1aqk s ALA 116 Cb -0.13 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1aqk s ALA 116 CO -0.03 0.22 0.98 -2.14 0.00 0.00 0.00 175.76 174.79 1aqk s PRO 117 N -1.67 4.05 -0.15 0.00 0.02 -1.26 -4.46 135.00 131.54 1aqk s PRO 117 Ca 0.45 1.09 -0.13 0.00 0.02 0.00 0.00 61.00 62.43 1aqk s PRO 117 Cb -0.21 -2.15 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 1aqk s PRO 117 CO 0.26 -0.19 0.27 -1.12 -0.33 0.00 0.00 177.00 175.90 1aqk s SER 118 N -2.48 6.44 -0.08 2.53 0.01 -0.64 -4.91 113.70 114.58 1aqk s SER 118 Ca 0.62 0.52 0.03 0.00 1.31 0.00 0.00 55.95 58.43 1aqk s SER 118 Cb -0.10 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1aqk s SER 118 CO 0.21 0.16 -0.18 -0.69 0.41 0.00 0.00 173.24 173.14 1aqk s VAL 119 N 0.18 2.65 -0.11 3.43 1.01 -1.26 -1.26 120.40 125.03 1aqk s VAL 119 Ca 0.16 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1aqk s VAL 119 Cb -0.13 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1aqk s VAL 119 CO 0.04 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1aqk s THR 120 N -0.15 1.51 -0.11 3.92 2.01 0.32 -4.97 115.64 118.17 1aqk s THR 120 Ca -0.02 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1aqk s THR 120 Cb -0.14 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1aqk s THR 120 CO 0.04 0.44 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.99 1aqk s LEU 121 N 1.00 2.33 -0.07 4.42 2.96 -1.26 -0.09 118.68 127.97 1aqk s LEU 121 Ca -0.06 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1aqk s LEU 121 Cb -0.15 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1aqk s LEU 121 CO -0.02 0.17 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.63 1aqk s PHE 122 N 0.28 2.60 0.82 5.38 0.08 -0.21 -4.98 117.98 121.96 1aqk s PHE 122 Ca -0.14 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.29 1aqk s PHE 122 Cb -0.17 -1.66 0.11 0.00 -0.57 0.00 0.00 43.02 40.73 1aqk s PHE 122 CO 0.07 -0.08 1.17 -1.25 -0.10 0.00 0.00 175.22 175.04 1aqk s PRO 123 N -0.25 1.69 0.76 0.24 0.04 -1.26 -0.72 135.00 135.50 1aqk s PRO 123 Ca 0.00 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 1aqk s PRO 123 Cb -0.13 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1aqk s PRO 123 CO 0.03 -1.71 1.18 -2.14 0.04 0.00 0.00 177.00 174.40 1aqk s PRO 124 N -5.56 1.99 0.35 0.56 0.02 -1.24 -4.80 135.00 126.31 1aqk s PRO 124 Ca 0.65 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1aqk s PRO 124 Cb -0.09 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 1aqk s PRO 124 CO 0.49 -1.92 0.56 -1.54 -0.33 0.00 0.00 177.00 174.25 1aqk s SER 125 N -2.31 6.30 0.14 2.53 1.04 -1.26 -4.96 113.70 115.18 1aqk s SER 125 Ca 0.71 0.47 -0.20 0.00 0.48 0.00 0.00 55.95 57.42 1aqk s SER 125 Cb -0.26 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 63.83 1aqk s SER 125 CO 0.48 -0.30 1.68 0.28 0.98 0.00 0.00 173.24 176.36 1aqk h SER 126 N 0.76 -0.34 -0.71 7.02 0.02 -1.98 0.05 113.55 118.37 1aqk h SER 126 Ca -0.50 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1aqk h SER 126 Cb 1.22 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.83 1aqk h SER 126 CO 0.61 -0.13 0.00 -0.33 -1.14 0.00 0.00 176.83 175.85 1aqk h GLU 127 N -0.06 0.10 -0.08 3.45 5.08 -1.98 1.32 114.58 122.42 1aqk h GLU 127 Ca 0.12 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1aqk h GLU 127 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1aqk h GLU 127 CO -0.28 0.07 -0.50 1.49 -1.00 0.00 0.00 179.01 178.79 1aqk h GLU 128 N 0.11 0.20 -0.59 2.33 4.81 -1.68 -2.20 114.58 117.55 1aqk h GLU 128 Ca 0.38 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1aqk h GLU 128 Cb 0.66 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1aqk h GLU 128 CO -0.63 0.65 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.21 1aqk h LEU 129 N 0.16 1.04 -2.00 1.64 3.38 0.18 -1.08 115.31 118.63 1aqk h LEU 129 Ca 0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1aqk h LEU 129 Cb 0.94 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1aqk h LEU 129 CO 0.07 1.10 -0.04 -0.61 0.09 0.00 0.00 178.44 179.05 1aqk h GLN 130 N 0.96 0.00 -0.92 1.13 5.75 0.18 0.19 115.11 122.40 1aqk h GLN 130 Ca 0.16 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1aqk h GLN 130 Cb 0.59 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1aqk h GLN 130 CO 0.04 0.04 0.02 0.00 -2.65 0.00 0.00 178.83 176.27 1aqk n ALA 131 N -2.49 2.86 -2.42 3.38 0.00 -0.52 -4.84 120.51 116.48 1aqk n ALA 131 Ca -0.03 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.77 1aqk n ALA 131 Cb 0.13 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1aqk n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1aqk n ASN 132 N 0.14 -5.51 -4.11 0.00 2.85 0.67 -4.99 115.26 104.30 1aqk n ASN 132 Ca 0.07 -0.04 -0.10 0.00 -0.11 0.00 0.00 54.58 54.40 1aqk n ASN 132 Cb 0.50 -4.54 -0.09 0.00 1.24 0.00 0.00 39.78 36.88 1aqk n ASN 132 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1aqk s LYS 133 N -5.01 0.97 -0.15 1.20 1.02 -0.52 -4.66 119.74 112.59 1aqk s LYS 133 Ca 0.03 -1.38 -0.06 0.00 0.02 0.00 0.00 55.97 54.58 1aqk s LYS 133 Cb -0.01 0.27 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 1aqk s LYS 133 CO 0.03 -0.29 0.31 0.00 -0.92 0.00 0.00 175.35 174.48 1aqk s ALA 134 N -4.03 -0.75 -0.14 5.17 0.00 -0.81 -2.78 121.76 118.42 1aqk s ALA 134 Ca 0.22 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1aqk s ALA 134 Cb 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1aqk s ALA 134 CO 0.01 -0.55 -0.15 0.99 0.00 0.00 0.00 175.76 176.06 1aqk s THR 135 N 2.16 1.58 -0.12 0.00 2.01 -1.26 -0.84 115.64 119.17 1aqk s THR 135 Ca -0.02 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1aqk s THR 135 Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1aqk s THR 135 CO -0.10 0.46 0.24 -0.76 -0.69 0.00 0.00 174.62 173.76 1aqk s LEU 136 N 1.35 4.33 -0.20 4.42 1.02 0.07 -3.65 118.68 126.02 1aqk s LEU 136 Ca 0.02 0.53 -0.01 0.00 0.02 0.00 0.00 54.13 54.69 1aqk s LEU 136 Cb -0.13 -2.26 0.01 0.00 0.02 0.00 0.00 46.19 43.82 1aqk s LEU 136 CO -0.08 0.26 -0.13 -0.69 0.02 0.00 0.00 176.35 175.72 1aqk s VAL 137 N -0.34 2.61 -0.30 -1.59 1.01 0.11 -2.13 120.40 119.77 1aqk s VAL 137 Ca 0.16 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1aqk s VAL 137 Cb -0.13 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1aqk s VAL 137 CO 0.05 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.74 1aqk s LEU 139 N 1.56 3.51 -0.14 0.00 1.43 0.86 -1.93 118.68 123.96 1aqk s LEU 139 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1aqk s LEU 139 Cb -0.17 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1aqk s LEU 139 CO 0.04 0.12 -0.14 -0.63 0.23 0.00 0.00 176.35 175.98 1aqk s ILE 140 N 0.65 1.53 0.30 -0.59 1.01 -0.64 -0.52 121.20 122.94 1aqk s ILE 140 Ca 0.01 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1aqk s ILE 140 Cb -0.14 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1aqk s ILE 140 CO 0.02 0.45 0.28 -1.54 0.00 0.00 0.00 174.94 174.15 1aqk n SER 141 N 4.77 -0.73 -2.88 3.58 3.41 -0.39 -0.49 113.62 120.89 1aqk n SER 141 Ca -0.17 -2.91 -0.18 0.00 -0.26 0.00 0.00 58.87 55.35 1aqk n SER 141 Cb 0.50 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 1aqk n SER 141 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1aqk n ASP 142 N -1.80 -4.20 -4.80 4.04 8.00 -0.80 -1.63 116.55 115.36 1aqk n ASP 142 Ca 0.06 -0.10 -0.22 0.00 0.71 0.00 0.00 54.79 55.24 1aqk n ASP 142 Cb 0.54 -3.50 -0.05 0.00 -0.02 0.00 0.00 41.12 38.09 1aqk n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1aqk s PHE 143 N -2.83 2.99 -0.28 1.24 -0.71 -1.18 -4.44 117.98 112.76 1aqk s PHE 143 Ca 0.20 -0.18 -0.16 0.00 -1.04 0.00 0.00 56.93 55.75 1aqk s PHE 143 Cb -0.10 -1.46 0.11 0.00 -1.21 0.00 0.00 43.02 40.36 1aqk s PHE 143 CO 0.24 0.46 0.83 -0.47 -1.34 0.00 0.00 175.22 174.94 1aqk s TYR 144 N -2.21 -0.82 0.95 3.49 6.14 -0.84 -1.04 117.35 123.02 1aqk s TYR 144 Ca 0.35 1.64 -0.12 0.00 0.64 0.00 0.00 57.07 59.58 1aqk s TYR 144 Cb -0.07 0.49 0.16 0.00 0.42 0.00 0.00 41.96 42.96 1aqk s TYR 144 CO 0.24 -0.41 1.09 -2.14 0.64 0.00 0.00 175.55 174.98 1aqk s PRO 145 N 1.51 0.85 0.00 4.97 0.01 -1.26 -0.87 135.00 140.20 1aqk s PRO 145 Ca -0.09 0.67 0.00 0.00 0.01 0.00 0.00 61.00 61.59 1aqk s PRO 145 Cb -0.04 -1.77 0.00 0.00 0.01 0.00 0.00 34.50 32.69 1aqk s PRO 145 CO -0.17 -2.48 1.19 0.41 0.01 0.00 0.00 177.00 175.96 1aqk n GLY 146 N -1.11 1.77 3.07 0.52 0.00 -1.26 -4.78 105.19 103.40 1aqk n GLY 146 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1aqk n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqk s ALA 147 N 0.46 1.32 -0.08 4.61 0.00 -1.26 -4.78 121.76 122.03 1aqk s ALA 147 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 1aqk s ALA 147 Cb 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1aqk s ALA 147 CO 0.00 0.18 0.55 0.54 0.00 0.00 0.00 175.76 177.03 1aqk s VAL 148 N 0.35 0.02 -0.13 0.00 0.11 -1.26 -4.68 120.40 114.80 1aqk s VAL 148 Ca -0.09 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1aqk s VAL 148 Cb -0.13 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1aqk s VAL 148 CO 0.03 -0.08 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.79 1aqk s THR 149 N -0.85 3.83 -0.09 5.04 2.01 -0.69 -4.98 115.64 119.91 1aqk s THR 149 Ca -0.09 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1aqk s THR 149 Cb -0.03 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1aqk s THR 149 CO 0.06 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1aqk s VAL 150 N 0.03 2.55 -0.02 3.82 1.01 -1.26 -1.28 120.40 125.26 1aqk s VAL 150 Ca -0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1aqk s VAL 150 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1aqk s VAL 150 CO 0.03 0.56 0.06 0.00 0.00 0.00 0.00 175.10 175.74 1aqk s ALA 151 N 0.04 -0.14 0.07 5.51 0.00 0.80 -4.96 121.76 123.08 1aqk s ALA 151 Ca -0.07 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1aqk s ALA 151 Cb -0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1aqk s ALA 151 CO 0.05 -0.05 -0.11 -1.58 0.00 0.00 0.00 175.76 174.07 1aqk s TRP 152 N -0.19 2.72 -0.06 0.00 0.52 -1.26 0.22 118.94 120.90 1aqk s TRP 152 Ca -0.02 -0.16 -0.04 0.00 0.02 0.00 0.00 56.10 55.90 1aqk s TRP 152 Cb -0.02 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1aqk s TRP 152 CO 0.00 0.38 0.14 0.15 0.02 0.00 0.00 176.95 177.64 1aqk s LYS 153 N -1.92 0.14 -0.46 4.98 1.02 -0.29 -1.39 119.74 121.82 1aqk s LYS 153 Ca 0.19 0.25 -0.16 0.00 0.02 0.00 0.00 55.97 56.27 1aqk s LYS 153 Cb -0.11 -0.00 0.06 0.00 -0.52 0.00 0.00 37.83 37.26 1aqk s LYS 153 CO 0.11 -0.06 0.40 0.00 -0.92 0.00 0.00 175.35 174.87 1aqk s ALA 154 N 0.41 3.53 0.00 5.17 0.00 -0.67 -0.40 121.76 129.80 1aqk s ALA 154 Ca -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1aqk s ALA 154 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1aqk s ALA 154 CO -0.02 -1.70 0.00 -0.25 0.00 0.00 0.00 175.76 173.79 1aqk n ASP 155 N 5.29 0.00 -0.36 0.00 8.00 0.25 -1.34 116.55 128.38 1aqk n ASP 155 Ca -0.12 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.42 1aqk n ASP 155 Cb 0.44 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1aqk n ASP 155 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aqk n SER 156 N 11.33 1.93 -4.91 -2.24 7.64 -1.26 -4.86 113.62 121.25 1aqk n SER 156 Ca 0.00 -1.51 -0.29 0.00 1.01 0.00 0.00 58.87 58.09 1aqk n SER 156 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1aqk n SER 156 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1aqk s SER 157 N -0.76 6.45 -0.13 6.43 0.01 -0.45 -5.04 113.70 120.20 1aqk s SER 157 Ca 0.11 0.66 -0.24 0.00 1.31 0.00 0.00 55.95 57.79 1aqk s SER 157 Cb 0.07 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 1aqk s SER 157 CO 0.10 -0.14 0.78 -2.84 0.41 0.00 0.00 173.24 171.55 1aqk s PRO 158 N -3.41 4.35 -0.15 12.44 0.02 -1.26 -1.66 135.00 145.32 1aqk s PRO 158 Ca 0.43 0.95 -0.12 0.00 0.02 0.00 0.00 61.00 62.28 1aqk s PRO 158 Cb -0.11 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.84 1aqk s PRO 158 CO 0.29 -0.18 0.24 0.54 -0.33 0.00 0.00 177.00 177.56 1aqk s VAL 159 N 1.64 5.34 -0.10 3.83 0.11 -0.49 -4.91 120.40 125.82 1aqk s VAL 159 Ca 0.38 0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.93 1aqk s VAL 159 Cb -0.17 -3.57 -0.10 0.00 -1.53 0.00 0.00 36.38 31.01 1aqk s VAL 159 CO 0.15 0.45 -0.00 0.59 -3.33 0.00 0.00 175.10 172.96 1aqk n ASN 160 N 3.20 2.83 -4.84 3.54 4.13 -1.26 -4.59 115.26 118.27 1aqk n ASN 160 Ca -0.14 -0.02 -0.35 0.00 1.68 0.00 0.00 54.58 55.75 1aqk n ASN 160 Cb 0.52 0.51 -0.06 0.00 -1.54 0.00 0.00 39.78 39.21 1aqk n ASN 160 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aqk s ALA 161 N -2.22 3.51 0.00 5.41 0.00 -1.26 -4.13 121.76 123.06 1aqk s ALA 161 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1aqk s ALA 161 Cb 0.03 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1aqk s ALA 161 CO 0.35 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.93 1aqk n GLY 162 N 0.58 0.42 3.54 0.00 0.00 -1.26 -4.85 105.19 103.61 1aqk n GLY 162 Ca -0.03 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1aqk n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqk s VAL 163 N -2.00 3.97 -0.10 1.61 1.01 -1.26 -0.83 120.40 122.80 1aqk s VAL 163 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1aqk s VAL 163 Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1aqk s VAL 163 CO 0.00 0.52 -0.09 -1.61 0.00 0.00 0.00 175.10 173.92 1aqk s GLU 164 N 0.08 1.58 -0.05 2.72 0.41 0.54 -4.94 118.70 119.03 1aqk s GLU 164 Ca 0.00 -0.30 0.03 0.00 -0.41 0.00 0.00 54.97 54.29 1aqk s GLU 164 Cb -0.13 -1.54 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 1aqk s GLU 164 CO 0.03 -0.18 -0.14 0.99 -0.49 0.00 0.00 175.26 175.46 1aqk s THR 165 N 1.40 1.26 0.65 3.63 2.01 -1.26 0.60 115.64 123.94 1aqk s THR 165 Ca -0.01 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1aqk s THR 165 Cb -0.13 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 1aqk s THR 165 CO -0.05 0.38 1.06 0.42 -0.69 0.00 0.00 174.62 175.73 1aqk s THR 166 N 0.34 3.97 0.63 -0.82 -4.23 0.65 -4.98 115.64 111.20 1aqk s THR 166 Ca -0.09 0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 1aqk s THR 166 Cb -0.13 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1aqk s THR 166 CO 0.03 -0.73 1.01 -0.54 -0.54 0.00 0.00 174.62 173.84 1aqk s LYS 167 N -4.68 3.18 0.41 3.99 3.01 -1.26 -4.52 119.74 119.87 1aqk s LYS 167 Ca 0.60 0.44 -0.15 0.00 -1.01 0.00 0.00 55.97 55.85 1aqk s LYS 167 Cb -0.15 -2.13 -0.08 0.00 -1.01 0.00 0.00 37.83 34.47 1aqk s LYS 167 CO 0.48 -0.73 0.84 -1.25 0.51 0.00 0.00 175.35 175.19 1aqk s PRO 168 N -5.17 3.96 0.01 -1.68 0.04 -1.26 -4.82 135.00 126.09 1aqk s PRO 168 Ca 0.55 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.36 1aqk s PRO 168 Cb -0.11 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1aqk s PRO 168 CO 0.50 -0.03 -0.06 -1.54 0.04 0.00 0.00 177.00 175.91 1aqk s SER 169 N -2.70 0.74 0.20 6.66 1.04 -0.84 -4.92 113.70 113.88 1aqk s SER 169 Ca 0.56 -0.24 -0.31 0.00 0.48 0.00 0.00 55.95 56.44 1aqk s SER 169 Cb -0.10 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.88 1aqk s SER 169 CO 0.24 -0.01 1.48 -0.75 0.98 0.00 0.00 173.24 175.17 1aqk s LYS 170 N -0.58 4.26 0.50 4.02 2.20 -1.26 -2.09 119.74 126.79 1aqk s LYS 170 Ca -0.01 2.28 0.06 0.00 -0.36 0.00 0.00 55.97 57.94 1aqk s LYS 170 Cb -0.05 -3.15 0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1aqk s LYS 170 CO 0.00 -0.48 0.69 -0.65 -0.36 0.00 0.00 175.35 174.55 1aqk s GLN 171 N 0.39 2.58 0.28 4.03 -0.21 0.34 -4.95 119.66 122.13 1aqk s GLN 171 Ca 0.64 -1.20 0.19 0.00 0.02 0.00 0.00 55.36 55.01 1aqk s GLN 171 Cb -0.42 -2.65 1.03 0.00 1.00 0.00 0.00 33.01 31.98 1aqk s GLN 171 CO 0.37 -0.57 1.58 -1.13 -2.12 0.00 0.00 175.29 173.42 1aqk n SER 172 N -2.11 0.49 -1.32 5.90 3.41 -1.26 -0.66 113.62 118.08 1aqk n SER 172 Ca 0.10 0.73 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1aqk n SER 172 Cb 0.60 -0.79 0.31 0.00 -0.26 0.00 0.00 64.21 64.07 1aqk n SER 172 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1aqk n ASN 173 N -2.17 3.97 0.00 4.04 6.94 -1.26 -4.95 115.26 121.84 1aqk n ASN 173 Ca -0.01 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 1aqk n ASN 173 Cb 0.04 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 1aqk n ASN 173 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1aqk n ASN 174 N 1.48 -3.11 -4.76 0.53 3.02 0.17 -5.01 115.26 107.58 1aqk n ASN 174 Ca 0.24 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.56 1aqk n ASN 174 Cb 0.64 -1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1aqk n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1aqk s LYS 175 N -0.39 2.43 0.29 3.52 1.02 -1.26 -4.83 119.74 120.52 1aqk s LYS 175 Ca 0.00 -1.51 0.06 0.00 0.02 0.00 0.00 55.97 54.54 1aqk s LYS 175 Cb 0.00 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1aqk s LYS 175 CO 0.00 0.10 0.41 0.71 -0.92 0.00 0.00 175.35 175.65 1aqk s TYR 176 N -2.41 3.29 0.01 3.18 1.51 -0.20 0.13 117.35 122.86 1aqk s TYR 176 Ca 0.38 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.33 1aqk s TYR 176 Cb -0.03 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1aqk s TYR 176 CO 0.23 0.23 -0.00 0.00 -1.11 0.00 0.00 175.55 174.90 1aqk s ALA 177 N -2.07 0.04 0.12 3.71 0.00 -0.89 -1.90 121.76 120.78 1aqk s ALA 177 Ca 0.39 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1aqk s ALA 177 Cb -0.09 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1aqk s ALA 177 CO 0.30 -0.14 0.34 0.00 0.00 0.00 0.00 175.76 176.26 1aqk s ALA 178 N -1.17 -0.62 0.04 0.00 0.00 0.35 -1.99 121.76 118.37 1aqk s ALA 178 Ca -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1aqk s ALA 178 Cb -0.08 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1aqk s ALA 178 CO -0.01 -0.62 -0.03 -1.12 0.00 0.00 0.00 175.76 173.98 1aqk s SER 179 N -2.84 0.42 -0.02 0.00 0.01 -1.26 -1.62 113.70 108.39 1aqk s SER 179 Ca 0.06 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1aqk s SER 179 Cb 0.03 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1aqk s SER 179 CO -0.10 -0.42 0.05 -0.55 0.41 0.00 0.00 173.24 172.63 1aqk s SER 180 N -2.12 0.01 0.01 2.44 0.15 -0.81 -0.26 113.70 113.12 1aqk s SER 180 Ca -0.05 0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.76 1aqk s SER 180 Cb -0.02 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1aqk s SER 180 CO -0.05 -0.09 -0.23 -0.31 1.20 0.00 0.00 173.24 173.77 1aqk s TYR 181 N 0.68 2.01 -0.15 3.44 2.02 0.20 -1.65 117.35 123.90 1aqk s TYR 181 Ca -0.06 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1aqk s TYR 181 Cb -0.08 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1aqk s TYR 181 CO -0.02 0.03 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.75 1aqk s LEU 182 N -0.86 1.52 -0.31 -1.29 2.96 -0.90 -0.34 118.68 119.45 1aqk s LEU 182 Ca 0.09 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 1aqk s LEU 182 Cb -0.09 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1aqk s LEU 182 CO 0.00 -0.14 0.39 -0.44 -1.32 0.00 0.00 176.35 174.85 1aqk s SER 183 N 1.62 6.23 0.21 3.68 0.01 -0.01 -0.75 113.70 124.70 1aqk s SER 183 Ca 0.03 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.34 1aqk s SER 183 Cb -0.14 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1aqk s SER 183 CO -0.08 -0.30 -0.00 -0.76 0.41 0.00 0.00 173.24 172.51 1aqk s LEU 184 N 2.11 2.15 0.29 2.44 1.43 -0.02 -4.74 118.68 122.34 1aqk s LEU 184 Ca 0.14 -1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 1aqk s LEU 184 Cb -0.16 -0.19 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 1aqk s LEU 184 CO 0.11 -0.53 0.60 0.42 0.23 0.00 0.00 176.35 177.18 1aqk s THR 185 N -3.50 4.93 0.33 5.49 -4.23 -1.26 -1.93 115.64 115.46 1aqk s THR 185 Ca 0.27 0.34 0.38 0.00 -1.18 0.00 0.00 61.69 61.50 1aqk s THR 185 Cb 0.06 -3.69 0.40 0.00 1.34 0.00 0.00 72.50 70.61 1aqk s THR 185 CO 0.07 -0.27 2.14 -0.65 -0.54 0.00 0.00 174.62 175.37 1aqk h PRO 186 N 1.91 0.00 -0.12 3.99 0.11 -1.87 -2.07 132.00 133.95 1aqk h PRO 186 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1aqk h PRO 186 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1aqk h PRO 186 CO 0.67 0.00 -0.50 0.93 -0.21 0.00 0.00 178.00 178.88 1aqk h GLU 187 N 0.00 0.56 -0.30 1.05 3.07 -1.97 -2.58 114.58 114.41 1aqk h GLU 187 Ca 0.00 -0.44 -0.08 0.00 -0.50 0.00 0.00 59.36 58.35 1aqk h GLU 187 Cb 0.21 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1aqk h GLU 187 CO 0.00 1.06 -0.12 1.96 -1.40 0.00 0.00 179.01 180.52 1aqk h GLN 188 N 0.18 0.60 -0.73 2.33 4.20 -1.80 -1.65 115.11 118.24 1aqk h GLN 188 Ca -0.03 -0.25 0.14 0.00 0.06 0.00 0.00 58.65 58.57 1aqk h GLN 188 Cb 1.14 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 1aqk h GLN 188 CO 0.11 0.82 0.27 2.35 -0.67 0.00 0.00 178.83 181.71 1aqk h TRP 189 N 0.35 0.46 -0.00 2.96 -0.00 -1.40 -0.83 115.95 117.49 1aqk h TRP 189 Ca 0.07 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1aqk h TRP 189 Cb 0.62 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 1aqk h TRP 189 CO 0.06 0.04 -0.28 1.63 -0.00 0.00 0.00 178.44 179.89 1aqk n LYS 190 N -5.03 0.33 0.04 2.65 5.02 -0.97 -3.75 118.16 116.45 1aqk n LYS 190 Ca 0.14 -0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1aqk n LYS 190 Cb 0.41 -1.50 0.36 0.00 -0.02 0.00 0.00 35.03 34.28 1aqk n LYS 190 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aqk n SER 191 N -1.20 0.49 -4.62 4.39 2.88 -0.33 -4.89 113.62 110.33 1aqk n SER 191 Ca 0.09 0.24 -0.24 0.00 -1.33 0.00 0.00 58.87 57.63 1aqk n SER 191 Cb 0.33 -0.21 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 1aqk n SER 191 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1aqk s HIS 192 N -3.07 2.56 -0.06 0.66 3.76 -1.13 -5.03 115.29 112.97 1aqk s HIS 192 Ca 0.10 -0.39 0.13 0.00 -0.15 0.00 0.00 55.06 54.75 1aqk s HIS 192 Cb 0.16 -1.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.40 1aqk s HIS 192 CO 0.64 0.52 1.31 1.57 -0.85 0.00 0.00 174.74 177.92 1aqk h LYS 193 N 1.85 0.00 -2.04 1.40 2.10 -1.90 -3.44 116.57 114.54 1aqk h LYS 193 Ca -0.43 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.39 1aqk h LYS 193 Cb 1.25 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.43 1aqk h LYS 193 CO 0.65 0.64 0.59 -1.54 -2.00 0.00 0.00 179.45 177.79 1aqk s SER 194 N -6.46 -0.26 0.12 7.07 1.04 -1.26 -4.48 113.70 109.47 1aqk s SER 194 Ca 0.02 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.45 1aqk s SER 194 Cb 0.08 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1aqk s SER 194 CO 0.78 -0.55 -0.18 -0.31 0.98 0.00 0.00 173.24 173.95 1aqk s TYR 195 N -2.93 1.70 0.02 5.02 2.02 0.17 -0.58 117.35 122.75 1aqk s TYR 195 Ca 0.08 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1aqk s TYR 195 Cb -0.01 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1aqk s TYR 195 CO -0.06 0.23 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.97 1aqk s SER 196 N -2.23 0.61 -0.22 2.29 0.01 0.46 -1.17 113.70 113.45 1aqk s SER 196 Ca 0.09 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 1aqk s SER 196 Cb -0.08 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 1aqk s SER 196 CO 0.05 -0.08 -0.04 0.00 0.41 0.00 0.00 173.24 173.58 1aqk s GLN 198 N 1.46 3.44 -0.14 0.00 0.74 0.60 -1.82 119.66 123.94 1aqk s GLN 198 Ca 0.06 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.86 1aqk s GLN 198 Cb -0.14 -2.90 -0.00 0.00 1.10 0.00 0.00 33.01 31.06 1aqk s GLN 198 CO -0.03 -0.01 -0.17 0.14 -0.55 0.00 0.00 175.29 174.67 1aqk s VAL 199 N 0.98 2.60 -0.11 1.34 -7.23 -0.48 -0.14 120.40 117.36 1aqk s VAL 199 Ca -0.00 -0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 1aqk s VAL 199 Cb -0.15 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1aqk s VAL 199 CO 0.00 0.53 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.40 1aqk s THR 200 N 0.66 4.05 -0.22 5.32 2.01 -0.40 -1.70 115.64 125.36 1aqk s THR 200 Ca -0.08 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.55 1aqk s THR 200 Cb -0.16 -2.73 0.11 0.00 0.01 0.00 0.00 72.50 69.73 1aqk s THR 200 CO 0.02 0.55 0.32 -2.28 -0.69 0.00 0.00 174.62 172.54 1aqk s HIS 201 N -0.31 -0.61 -1.07 4.92 2.46 0.64 -1.70 115.29 119.62 1aqk s HIS 201 Ca 0.06 0.71 -0.18 0.00 0.47 0.00 0.00 55.06 56.11 1aqk s HIS 201 Cb -0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.24 1aqk s HIS 201 CO 0.02 -0.63 0.75 0.39 -2.47 0.00 0.00 174.74 172.80 1aqk n GLU 202 N 5.35 -1.12 -0.42 2.88 -0.58 -1.26 -0.64 120.64 124.84 1aqk n GLU 202 Ca -0.05 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1aqk n GLU 202 Cb 0.50 -3.78 0.00 0.00 -0.57 0.00 0.00 31.44 27.59 1aqk n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aqk n GLY 203 N -1.74 1.41 3.75 0.62 0.00 -1.26 -4.98 105.19 102.97 1aqk n GLY 203 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1aqk n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqk s SER 204 N -3.05 5.54 -0.05 1.61 0.01 0.18 -5.10 113.70 112.83 1aqk s SER 204 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1aqk s SER 204 Cb 0.00 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.66 1aqk s SER 204 CO 0.00 0.33 -0.03 -0.89 0.41 0.00 0.00 173.24 173.06 1aqk s THR 205 N -1.04 0.49 0.08 1.44 2.01 -1.26 -0.26 115.64 117.09 1aqk s THR 205 Ca 0.18 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1aqk s THR 205 Cb -0.12 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1aqk s THR 205 CO 0.08 0.23 -0.21 0.54 -0.69 0.00 0.00 174.62 174.57 1aqk s VAL 206 N 1.22 1.68 -0.02 3.82 0.11 -0.69 -4.99 120.40 121.53 1aqk s VAL 206 Ca -0.06 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.61 1aqk s VAL 206 Cb -0.14 -1.50 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 1aqk s VAL 206 CO -0.02 0.06 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.08 1aqk s GLU 207 N -1.57 0.43 0.23 1.54 2.12 -1.26 -1.38 118.70 118.80 1aqk s GLU 207 Ca 0.07 -0.05 0.10 0.00 0.36 0.00 0.00 54.97 55.44 1aqk s GLU 207 Cb -0.09 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.75 1aqk s GLU 207 CO 0.03 -0.03 -0.08 0.15 -0.54 0.00 0.00 175.26 174.79 1aqk s LYS 208 N 0.55 2.08 0.03 4.30 -0.14 -0.76 -4.98 119.74 120.83 1aqk s LYS 208 Ca -0.06 -1.40 -0.02 0.00 -1.36 0.00 0.00 55.97 53.14 1aqk s LYS 208 Cb -0.09 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1aqk s LYS 208 CO -0.01 0.39 -0.00 0.99 -0.76 0.00 0.00 175.35 175.97 1aqk s THR 209 N -2.04 0.14 0.04 2.17 2.01 -1.26 -2.45 115.64 114.25 1aqk s THR 209 Ca 0.28 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1aqk s THR 209 Cb -0.07 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1aqk s THR 209 CO 0.17 -0.64 -0.07 0.68 -0.69 0.00 0.00 174.62 174.07 1aqk s VAL 210 N -2.29 0.44 0.01 3.82 -7.23 -0.31 -4.99 120.40 109.85 1aqk s VAL 210 Ca -0.08 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1aqk s VAL 210 Cb -0.04 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 1aqk s VAL 210 CO -0.04 -0.43 0.01 0.00 -0.31 0.00 0.00 175.10 174.33 1aqk s ALA 211 N -1.49 0.00 0.16 1.32 0.00 -1.26 0.42 121.76 120.91 1aqk s ALA 211 Ca -0.11 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 1aqk s ALA 211 Cb -0.09 0.11 -0.11 0.00 0.00 0.00 0.00 23.12 23.03 1aqk s ALA 211 CO -0.00 -0.15 1.75 -2.14 0.00 0.00 0.00 175.76 175.22 1aqk s PRO 212 N -1.25 4.14 0.00 0.00 0.02 -1.26 -3.87 135.00 132.79 1aqk s PRO 212 Ca -0.14 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1aqk s PRO 212 Cb -0.08 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1aqk s PRO 212 CO -0.00 -0.78 0.00 0.00 -0.33 0.00 0.00 177.00 175.89 1aqk n ALA 213 N 4.78 -0.29 0.96 -1.55 0.00 -1.26 -4.52 120.51 118.62 1aqk n ALA 213 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1aqk n ALA 213 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.83 1aqk n ALA 213 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aqk n GLU 214 N -0.23 1.07 -0.60 0.00 2.13 -1.25 -4.91 120.64 116.85 1aqk n GLU 214 Ca 0.00 -0.07 -0.21 0.00 0.66 0.00 0.00 57.16 57.55 1aqk n GLU 214 Cb 0.00 -1.45 0.02 0.00 0.27 0.00 0.00 31.44 30.28 1aqk n GLU 214 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72