#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqk s GLN 3 N 0.00 0.55 -0.10 5.55 0.74 -1.00 -5.00 119.66 120.40 1aqk s GLN 3 Ca 0.00 0.69 0.03 0.00 0.05 0.00 0.00 55.36 56.13 1aqk s GLN 3 Cb 0.00 0.25 -0.01 0.00 1.10 0.00 0.00 33.01 34.35 1aqk s GLN 3 CO 0.00 -0.07 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.97 1aqk s LEU 4 N 0.42 2.37 -0.15 3.68 1.43 -1.26 -1.72 118.68 123.45 1aqk s LEU 4 Ca 0.01 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1aqk s LEU 4 Cb -0.05 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.73 1aqk s LEU 4 CO -0.07 0.19 0.02 -0.69 0.23 0.00 0.00 176.35 176.03 1aqk s VAL 5 N 0.20 0.49 0.37 -1.59 1.01 -0.87 -4.31 120.40 115.69 1aqk s VAL 5 Ca -0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1aqk s VAL 5 Cb -0.16 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1aqk s VAL 5 CO 0.06 -0.05 0.80 -1.61 0.00 0.00 0.00 175.10 174.30 1aqk s GLU 6 N 1.89 3.98 0.13 2.72 8.01 -1.26 -2.00 118.70 132.16 1aqk s GLU 6 Ca 0.01 0.71 -0.13 0.00 0.01 0.00 0.00 54.97 55.57 1aqk s GLU 6 Cb -0.15 -2.36 0.02 0.00 -4.31 0.00 0.00 34.13 27.32 1aqk s GLU 6 CO -0.07 0.05 0.34 -1.12 0.01 0.00 0.00 175.26 174.46 1aqk s SER 7 N -2.54 -0.10 0.00 -0.19 0.01 0.12 -4.81 113.70 106.20 1aqk s SER 7 Ca 0.55 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1aqk s SER 7 Cb -0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1aqk s SER 7 CO 0.21 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1aqk n GLY 8 N -0.19 0.95 3.91 3.44 0.00 -1.26 0.54 105.19 112.59 1aqk n GLY 8 Ca -0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1aqk n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqk s GLY 9 N -2.02 1.65 0.00 -0.02 0.00 -1.26 -4.68 107.32 100.98 1aqk s GLY 9 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1aqk s GLY 9 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.41 1aqk n GLY 10 N -3.29 -2.04 3.79 0.20 0.00 -0.96 -4.95 105.19 97.93 1aqk n GLY 10 Ca 0.09 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 1aqk n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqk s VAL 11 N -2.44 4.45 0.09 1.61 1.01 -1.26 -2.51 120.40 121.36 1aqk s VAL 11 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 1aqk s VAL 11 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1aqk s VAL 11 CO 0.00 0.42 0.30 -0.69 0.00 0.00 0.00 175.10 175.13 1aqk s VAL 12 N -1.28 0.10 0.20 2.92 1.01 -0.15 -4.96 120.40 118.24 1aqk s VAL 12 Ca 0.38 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1aqk s VAL 12 Cb -0.21 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 1aqk s VAL 12 CO 0.24 -0.45 0.50 -1.10 0.00 0.00 0.00 175.10 174.28 1aqk s GLN 13 N -3.53 3.76 0.51 2.72 -1.52 -1.26 -1.00 119.66 119.34 1aqk s GLN 13 Ca 0.02 0.19 -0.20 0.00 -1.95 0.00 0.00 55.36 53.41 1aqk s GLN 13 Cb 0.02 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 29.99 1aqk s GLN 13 CO -0.10 0.38 0.70 -2.30 -0.25 0.00 0.00 175.29 173.72 1aqk n PRO 14 N 0.02 0.77 0.00 2.91 -0.02 -1.26 -1.46 135.00 135.95 1aqk n PRO 14 Ca -0.01 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1aqk n PRO 14 Cb 0.52 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.57 3.06 0.00 -1.23 0.00 0.25 -4.90 105.19 103.94 1aqk n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1aqk n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqk n ARG 16 N -2.00 0.29 -4.32 1.61 1.74 -0.54 -3.86 116.66 109.58 1aqk n ARG 16 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1aqk n ARG 16 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1aqk n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1aqk s SER 17 N -1.00 2.59 -0.11 0.55 0.01 -1.26 -2.21 113.70 112.28 1aqk s SER 17 Ca 0.00 -0.84 -0.18 0.00 1.31 0.00 0.00 55.95 56.24 1aqk s SER 17 Cb 0.00 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1aqk s SER 17 CO 0.00 -0.04 0.45 -0.22 0.41 0.00 0.00 173.24 173.84 1aqk s LEU 18 N -2.59 0.28 -0.22 2.44 2.96 -0.46 -5.01 118.68 116.09 1aqk s LEU 18 Ca 0.14 0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1aqk s LEU 18 Cb -0.06 1.64 0.02 0.00 0.50 0.00 0.00 46.19 48.30 1aqk s LEU 18 CO 0.06 -0.32 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.05 1aqk s ARG 19 N -0.46 2.89 0.31 1.98 3.52 -1.26 -0.27 118.95 125.66 1aqk s ARG 19 Ca -0.06 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.63 1aqk s ARG 19 Cb -0.03 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1aqk s ARG 19 CO 0.03 -0.32 0.50 -0.51 -0.81 0.00 0.00 175.30 174.20 1aqk s LEU 20 N 1.30 4.09 0.13 -0.88 1.43 -0.05 -4.71 118.68 119.99 1aqk s LEU 20 Ca 0.02 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1aqk s LEU 20 Cb -0.15 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1aqk s LEU 20 CO -0.08 -0.23 -0.10 -0.94 0.23 0.00 0.00 176.35 175.23 1aqk s SER 21 N -3.90 1.68 -0.13 2.29 1.04 0.19 -1.41 113.70 113.46 1aqk s SER 21 Ca 0.39 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1aqk s SER 21 Cb -0.10 0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.08 1aqk s SER 21 CO 0.34 -0.33 0.11 0.00 0.98 0.00 0.00 173.24 174.34 1aqk s ALA 23 N 2.20 3.11 0.16 0.00 0.00 -0.85 -0.01 121.76 126.37 1aqk s ALA 23 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1aqk s ALA 23 Cb -0.14 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1aqk s ALA 23 CO -0.08 0.32 0.28 0.00 0.00 0.00 0.00 175.76 176.28 1aqk s ALA 24 N 0.02 3.94 0.10 0.00 0.00 -0.49 -2.06 121.76 123.27 1aqk s ALA 24 Ca 0.02 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 1aqk s ALA 24 Cb -0.13 -1.75 0.04 0.00 0.00 0.00 0.00 23.12 21.28 1aqk s ALA 24 CO 0.02 0.51 0.42 -1.54 0.00 0.00 0.00 175.76 175.17 1aqk s SER 25 N -3.29 -0.28 0.00 0.00 1.04 -0.70 -4.91 113.70 105.56 1aqk s SER 25 Ca 0.34 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1aqk s SER 25 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1aqk s SER 25 CO 0.28 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1aqk n GLY 26 N 0.02 1.73 3.61 7.32 0.00 -1.26 -2.38 105.19 114.23 1aqk n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1aqk n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aqk s PHE 27 N -2.59 0.33 -0.99 1.61 -0.71 -1.26 -4.55 117.98 109.82 1aqk s PHE 27 Ca 0.00 -0.70 -0.22 0.00 -1.04 0.00 0.00 56.93 54.97 1aqk s PHE 27 Cb 0.00 0.23 0.06 0.00 -1.21 0.00 0.00 43.02 42.11 1aqk s PHE 27 CO 0.00 -1.02 1.39 0.99 -1.34 0.00 0.00 175.22 175.24 1aqk s THR 28 N -3.97 4.04 0.31 -4.49 2.01 -1.26 -4.87 115.64 107.41 1aqk s THR 28 Ca 0.22 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1aqk s THR 28 Cb -0.01 -5.01 0.31 0.00 0.01 0.00 0.00 72.50 67.80 1aqk s THR 28 CO 0.09 -1.87 1.76 0.15 -0.69 0.00 0.00 174.62 174.07 1aqk h PHE 29 N 9.66 1.03 0.00 4.92 3.57 -1.95 -1.50 116.94 132.67 1aqk h PHE 29 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1aqk h PHE 29 Cb 1.01 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1aqk h PHE 29 CO 1.25 0.17 0.00 0.09 -2.23 0.00 0.00 178.31 177.60 1aqk n ASN 30 N -4.79 0.00 -0.96 0.41 3.02 -1.26 -1.82 115.26 109.85 1aqk n ASN 30 Ca 0.25 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 55.26 1aqk n ASN 30 Cb 0.64 -0.40 0.22 0.00 -0.61 0.00 0.00 39.78 39.63 1aqk n ASN 30 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1aqk n ASN 31 N -1.40 2.93 -4.12 6.41 5.03 -0.56 -4.59 115.26 118.95 1aqk n ASN 31 Ca 0.03 -1.92 -0.14 0.00 0.87 0.00 0.00 54.58 53.41 1aqk n ASN 31 Cb 0.08 -0.13 -0.11 0.00 -1.02 0.00 0.00 39.78 38.60 1aqk n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1aqk s TYR 32 N -1.74 0.91 0.45 3.10 1.51 -0.75 0.06 117.35 120.88 1aqk s TYR 32 Ca 0.34 -0.56 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 1aqk s TYR 32 Cb 0.21 -0.52 -0.10 0.00 -0.11 0.00 0.00 41.96 41.44 1aqk s TYR 32 CO 0.31 -0.04 0.98 0.00 -1.11 0.00 0.00 175.55 175.69 1aqk s ALA 33 N -1.80 2.99 0.04 3.71 0.00 -1.26 -4.20 121.76 121.25 1aqk s ALA 33 Ca -0.03 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1aqk s ALA 33 Cb -0.07 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1aqk s ALA 33 CO 0.00 -0.00 -0.10 0.42 0.00 0.00 0.00 175.76 176.09 1aqk s ILE 34 N -2.13 0.72 0.18 0.00 -1.09 -1.06 -2.59 121.20 115.22 1aqk s ILE 34 Ca 0.63 -1.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 1aqk s ILE 34 Cb -0.11 -0.73 -0.05 0.00 -1.58 0.00 0.00 42.46 40.00 1aqk s ILE 34 CO 0.15 -0.25 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.53 1aqk s HIS 35 N -1.16 1.42 -0.03 3.97 3.76 0.36 -1.84 115.29 121.78 1aqk s HIS 35 Ca -0.06 -0.77 0.05 0.00 -0.15 0.00 0.00 55.06 54.14 1aqk s HIS 35 Cb -0.09 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.84 1aqk s HIS 35 CO 0.01 0.10 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.24 1aqk s TRP 36 N -3.29 2.57 0.05 1.40 0.52 -0.03 -0.68 118.94 119.48 1aqk s TRP 36 Ca 0.21 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.09 1aqk s TRP 36 Cb 0.03 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1aqk s TRP 36 CO 0.04 0.13 -0.08 0.08 0.02 0.00 0.00 176.95 177.13 1aqk s VAL 37 N -0.72 0.58 0.05 4.03 1.01 -0.01 -1.02 120.40 124.32 1aqk s VAL 37 Ca 0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1aqk s VAL 37 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1aqk s VAL 37 CO 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 175.10 174.64 1aqk s ARG 38 N -1.85 0.61 -0.16 2.72 1.70 -0.10 0.57 118.95 122.45 1aqk s ARG 38 Ca -0.07 -1.20 -0.04 0.00 -0.47 0.00 0.00 55.73 53.95 1aqk s ARG 38 Cb -0.08 0.18 0.06 0.00 -0.57 0.00 0.00 34.95 34.53 1aqk s ARG 38 CO -0.00 -0.10 0.08 -1.14 -1.08 0.00 0.00 175.30 173.06 1aqk s GLN 39 N -3.79 0.12 0.88 3.89 0.74 -0.71 0.03 119.66 120.81 1aqk s GLN 39 Ca 0.06 -0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.28 1aqk s GLN 39 Cb 0.07 -1.72 0.12 0.00 1.10 0.00 0.00 33.01 32.58 1aqk s GLN 39 CO -0.09 -0.63 1.10 0.00 -0.55 0.00 0.00 175.29 175.12 1aqk s ALA 40 N 2.11 1.74 0.01 1.58 0.00 -1.26 -1.85 121.76 124.09 1aqk s ALA 40 Ca 0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1aqk s ALA 40 Cb -0.16 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1aqk s ALA 40 CO -0.08 -2.20 1.54 -2.14 0.00 0.00 0.00 175.76 172.88 1aqk s PRO 41 N -5.08 4.23 0.00 0.00 0.02 -1.26 -2.38 135.00 130.53 1aqk s PRO 41 Ca 0.63 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1aqk s PRO 41 Cb -0.16 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1aqk s PRO 41 CO 0.55 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1aqk n GLY 42 N 3.88 0.80 3.97 0.52 0.00 -1.26 -5.01 105.19 108.10 1aqk n GLY 42 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1aqk n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqk s LYS 43 N -0.21 2.43 0.76 1.61 3.01 -1.00 -5.13 119.74 121.20 1aqk s LYS 43 Ca 0.00 -1.64 -0.04 0.00 -1.01 0.00 0.00 55.97 53.29 1aqk s LYS 43 Cb 0.00 -2.50 0.16 0.00 -1.01 0.00 0.00 37.83 34.48 1aqk s LYS 43 CO 0.00 -0.59 1.03 0.41 0.51 0.00 0.00 175.35 176.72 1aqk n GLY 44 N -1.95 0.15 3.77 -3.33 0.00 -1.26 -4.61 105.19 97.96 1aqk n GLY 44 Ca 0.08 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1aqk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqk s LEU 45 N 0.00 4.42 -0.06 0.99 1.43 -1.26 -4.39 118.68 119.80 1aqk s LEU 45 Ca 0.66 2.71 -0.00 0.00 -1.03 0.00 0.00 54.13 56.46 1aqk s LEU 45 Cb -0.03 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1aqk s LEU 45 CO 0.44 -0.56 -0.02 -0.70 0.23 0.00 0.00 176.35 175.74 1aqk s GLU 46 N -1.82 0.75 0.19 1.70 2.12 0.10 -4.99 118.70 116.76 1aqk s GLU 46 Ca 0.49 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 1aqk s GLU 46 Cb -0.40 -0.94 -0.08 0.00 0.26 0.00 0.00 34.13 32.97 1aqk s GLU 46 CO 0.53 -0.20 1.26 -0.46 -0.54 0.00 0.00 175.26 175.86 1aqk s TRP 47 N 1.47 3.33 -0.13 5.30 -0.00 -1.26 -0.92 118.94 126.72 1aqk s TRP 47 Ca -0.02 1.30 -0.10 0.00 -0.00 0.00 0.00 56.10 57.28 1aqk s TRP 47 Cb -0.13 -3.53 -0.06 0.00 -0.00 0.00 0.00 33.47 29.75 1aqk s TRP 47 CO -0.03 -1.60 -0.23 0.28 -0.00 0.00 0.00 176.95 175.38 1aqk n VAL 48 N 2.61 1.16 -3.82 5.86 0.31 -0.19 -4.54 118.33 119.73 1aqk n VAL 48 Ca 0.05 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1aqk n VAL 48 Cb 0.44 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.47 1aqk n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aqk s ALA 49 N -2.44 -1.35 0.07 3.52 0.00 -1.09 -0.19 121.76 120.28 1aqk s ALA 49 Ca -0.22 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1aqk s ALA 49 Cb 0.06 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.97 1aqk s ALA 49 CO 0.29 -1.04 0.42 -0.59 0.00 0.00 0.00 175.76 174.84 1aqk s PHE 50 N -3.40 -0.26 -0.01 0.00 -0.71 -0.23 -0.85 117.98 112.53 1aqk s PHE 50 Ca 0.13 0.13 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1aqk s PHE 50 Cb -0.04 0.24 -0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1aqk s PHE 50 CO 0.06 -0.62 -0.05 -1.50 -1.34 0.00 0.00 175.22 171.76 1aqk s ILE 51 N -2.94 0.39 1.02 -4.49 2.07 -0.77 -1.56 121.20 114.91 1aqk s ILE 51 Ca -0.02 -0.20 -0.12 0.00 -1.41 0.00 0.00 60.65 58.89 1aqk s ILE 51 Cb 0.00 -0.33 0.20 0.00 0.13 0.00 0.00 42.46 42.46 1aqk s ILE 51 CO -0.06 0.11 1.08 -0.94 -1.91 0.00 0.00 174.94 173.22 1aqk s SER 52 N -0.06 2.36 0.33 4.50 1.04 0.85 -2.57 113.70 120.14 1aqk s SER 52 Ca 0.01 1.40 0.05 0.00 0.48 0.00 0.00 55.95 57.89 1aqk s SER 52 Cb -0.03 -2.09 0.67 0.00 0.10 0.00 0.00 66.02 64.68 1aqk s SER 52 CO -0.00 -3.33 1.89 0.10 0.98 0.00 0.00 173.24 172.88 1aqk h TYR 53 N -2.02 0.94 -0.28 5.02 -0.00 -1.85 -2.23 116.97 116.55 1aqk h TYR 53 Ca -0.55 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.21 1aqk h TYR 53 Cb 1.32 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.74 1aqk h TYR 53 CO 0.33 0.42 0.00 -0.40 -0.00 0.00 0.00 178.16 178.50 1aqk n ASP 54 N -4.54 3.29 0.00 0.10 5.68 -1.26 -4.72 116.55 115.10 1aqk n ASP 54 Ca 0.16 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1aqk n ASP 54 Cb 0.34 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1aqk n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aqk n GLY 55 N 1.42 0.59 0.18 6.12 0.00 -0.84 -4.85 105.19 107.81 1aqk n GLY 55 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1aqk n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aqk h SER 56 N 0.00 0.00 -4.29 1.61 4.64 -1.92 -3.46 113.55 110.13 1aqk h SER 56 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1aqk h SER 56 Cb 0.06 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.94 1aqk h SER 56 CO 0.00 0.00 -0.80 -0.75 -0.87 0.00 0.00 176.83 174.41 1aqk s LYS 57 N -3.21 0.99 0.18 4.77 2.20 -1.26 -4.99 119.74 118.42 1aqk s LYS 57 Ca 0.08 -1.08 -0.23 0.00 -0.36 0.00 0.00 55.97 54.37 1aqk s LYS 57 Cb 0.08 -1.12 0.06 0.00 -1.51 0.00 0.00 37.83 35.34 1aqk s LYS 57 CO 0.63 0.25 0.74 0.54 -0.36 0.00 0.00 175.35 177.15 1aqk s ASN 58 N -1.88 -0.37 0.04 1.43 6.03 -1.26 -0.11 114.94 118.83 1aqk s ASN 58 Ca 0.03 -0.28 -0.27 0.00 -1.03 0.00 0.00 52.86 51.31 1aqk s ASN 58 Cb -0.10 0.60 0.08 0.00 -3.03 0.00 0.00 41.25 38.80 1aqk s ASN 58 CO 0.03 -1.05 0.72 -0.47 -2.03 0.00 0.00 177.10 174.31 1aqk s TYR 59 N -3.65 -0.51 0.07 1.54 5.04 -0.60 -4.99 117.35 114.24 1aqk s TYR 59 Ca 0.07 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.27 1aqk s TYR 59 Cb -0.03 0.51 -0.03 0.00 0.35 0.00 0.00 41.96 42.76 1aqk s TYR 59 CO -0.03 -0.67 -0.10 0.71 -1.34 0.00 0.00 175.55 174.12 1aqk s TYR 60 N -2.71 0.91 0.54 4.97 2.02 -1.26 -1.07 117.35 120.75 1aqk s TYR 60 Ca -0.01 -0.56 -0.20 0.00 -0.37 0.00 0.00 57.07 55.93 1aqk s TYR 60 Cb -0.01 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.98 1aqk s TYR 60 CO -0.05 -0.04 1.15 0.00 -1.57 0.00 0.00 175.55 175.04 1aqk s ALA 61 N -1.80 2.70 0.58 3.71 0.00 0.73 -4.80 121.76 122.88 1aqk s ALA 61 Ca -0.03 0.87 0.28 0.00 0.00 0.00 0.00 51.96 53.08 1aqk s ALA 61 Cb -0.07 -3.38 1.71 0.00 0.00 0.00 0.00 23.12 21.39 1aqk s ALA 61 CO 0.00 -0.83 2.20 -0.44 0.00 0.00 0.00 175.76 176.70 1aqk h ASP 62 N 1.22 0.00 0.09 0.00 3.32 -1.92 -1.08 116.42 118.05 1aqk h ASP 62 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1aqk h ASP 62 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1aqk h ASP 62 CO 0.57 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.55 1aqk n SER 63 N -3.92 0.00 0.00 6.45 3.41 -1.26 -3.37 113.62 114.94 1aqk n SER 63 Ca -0.02 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1aqk n SER 63 Cb 0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1aqk n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1aqk n VAL 64 N -1.05 0.00 -1.55 -3.33 0.24 -0.49 -5.00 118.33 107.15 1aqk n VAL 64 Ca 0.19 -0.08 -0.50 0.00 -2.04 0.00 0.00 64.34 61.92 1aqk n VAL 64 Cb 0.12 1.39 -0.04 0.00 -1.47 0.00 0.00 33.84 33.83 1aqk n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1aqk n LYS 65 N -0.09 0.92 0.00 7.34 4.81 -0.74 -0.03 118.16 130.37 1aqk n LYS 65 Ca 0.00 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1aqk n LYS 65 Cb 0.10 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1aqk n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aqk n GLY 66 N 1.93 2.83 0.04 3.14 0.00 -1.26 -4.73 105.19 107.14 1aqk n GLY 66 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1aqk n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqk n ARG 67 N -2.00 1.78 -4.30 1.61 1.74 0.95 -5.00 116.66 111.45 1aqk n ARG 67 Ca 0.00 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1aqk n ARG 67 Cb 0.00 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 1aqk n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1aqk s PHE 68 N -2.39 2.87 -0.05 -1.55 0.40 -0.89 -1.31 117.98 115.06 1aqk s PHE 68 Ca -0.05 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1aqk s PHE 68 Cb 0.04 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1aqk s PHE 68 CO 0.45 0.42 -0.01 0.99 0.70 0.00 0.00 175.22 177.77 1aqk s THR 69 N -1.15 0.36 0.04 0.64 2.01 -0.48 -4.89 115.64 112.18 1aqk s THR 69 Ca 0.21 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 1aqk s THR 69 Cb -0.11 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1aqk s THR 69 CO 0.12 0.21 0.16 -0.51 -0.69 0.00 0.00 174.62 173.91 1aqk s ILE 70 N 1.30 5.14 0.06 1.82 2.07 -1.26 -1.59 121.20 128.73 1aqk s ILE 70 Ca -0.05 -0.41 -0.26 0.00 -1.41 0.00 0.00 60.65 58.52 1aqk s ILE 70 Cb -0.13 -3.45 0.08 0.00 0.13 0.00 0.00 42.46 39.08 1aqk s ILE 70 CO -0.02 0.22 0.69 -0.94 -1.91 0.00 0.00 174.94 172.97 1aqk s SER 71 N -2.22 -0.55 0.04 4.50 1.04 -0.94 -5.02 113.70 110.55 1aqk s SER 71 Ca 0.30 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 1aqk s SER 71 Cb -0.13 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1aqk s SER 71 CO 0.22 -0.79 -0.03 0.00 0.98 0.00 0.00 173.24 173.62 1aqk s ARG 72 N -2.88 0.55 -0.34 4.02 1.70 -1.26 -1.07 118.95 119.66 1aqk s ARG 72 Ca -0.01 -1.08 0.02 0.00 -0.47 0.00 0.00 55.73 54.18 1aqk s ARG 72 Cb -0.01 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1aqk s ARG 72 CO -0.06 -0.09 0.05 0.34 -1.08 0.00 0.00 175.30 174.46 1aqk s ASP 73 N -2.57 4.85 0.00 -2.89 -1.08 0.02 -4.93 116.67 110.06 1aqk s ASP 73 Ca 0.02 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.13 1aqk s ASP 73 Cb 0.04 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 1aqk s ASP 73 CO -0.08 -0.38 0.57 0.59 0.52 0.00 0.00 175.17 176.40 1aqk n ASN 74 N 4.40 0.13 -0.55 -0.34 5.03 -1.26 -1.36 115.26 121.30 1aqk n ASN 74 Ca -0.02 -1.26 0.05 0.00 0.87 0.00 0.00 54.58 54.21 1aqk n ASN 74 Cb 0.42 -0.06 0.14 0.00 -1.02 0.00 0.00 39.78 39.25 1aqk n ASN 74 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1aqk n SER 75 N -0.36 2.85 0.00 6.41 3.41 -1.26 -4.71 113.62 119.96 1aqk n SER 75 Ca 0.00 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1aqk n SER 75 Cb 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1aqk n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1aqk n LYS 76 N 0.25 0.00 -3.60 4.33 5.02 -0.46 -5.02 118.16 118.68 1aqk n LYS 76 Ca 0.11 -0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 1aqk n LYS 76 Cb 0.44 -0.19 0.06 0.00 -0.02 0.00 0.00 35.03 35.31 1aqk n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1aqk n ASN 77 N 0.00 -5.84 -3.93 4.39 5.03 -1.16 -4.89 115.26 108.86 1aqk n ASN 77 Ca 0.00 -0.56 -0.14 0.00 0.87 0.00 0.00 54.58 54.74 1aqk n ASN 77 Cb 0.50 -4.63 -0.14 0.00 -1.02 0.00 0.00 39.78 34.49 1aqk n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1aqk s THR 78 N -3.28 0.27 0.20 3.41 2.01 -1.24 -1.39 115.64 115.62 1aqk s THR 78 Ca 0.56 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.45 1aqk s THR 78 Cb -0.26 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1aqk s THR 78 CO 0.70 0.04 -0.15 -1.48 -0.69 0.00 0.00 174.62 173.04 1aqk s LEU 79 N -0.19 2.77 0.05 4.42 2.34 0.99 -0.80 118.68 128.26 1aqk s LEU 79 Ca 0.00 -0.72 0.04 0.00 0.06 0.00 0.00 54.13 53.51 1aqk s LEU 79 Cb -0.02 -1.44 -0.02 0.00 -0.56 0.00 0.00 46.19 44.14 1aqk s LEU 79 CO -0.00 0.10 -0.12 -0.36 -1.06 0.00 0.00 176.35 174.90 1aqk s PHE 80 N -1.81 1.07 -0.25 3.48 0.08 -0.23 -0.29 117.98 120.03 1aqk s PHE 80 Ca 0.24 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 1aqk s PHE 80 Cb -0.08 -0.62 0.07 0.00 -0.57 0.00 0.00 43.02 41.82 1aqk s PHE 80 CO 0.14 0.02 0.00 -1.17 -0.10 0.00 0.00 175.22 174.10 1aqk s LEU 81 N -1.37 2.40 -0.34 -0.37 2.96 -0.50 -2.23 118.68 119.24 1aqk s LEU 81 Ca -0.02 -1.27 -0.21 0.00 -0.22 0.00 0.00 54.13 52.41 1aqk s LEU 81 Cb -0.09 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1aqk s LEU 81 CO 0.01 -0.29 0.69 -1.58 -1.32 0.00 0.00 176.35 173.86 1aqk s GLN 82 N 1.49 3.76 -0.25 1.98 2.00 -0.62 -0.87 119.66 127.16 1aqk s GLN 82 Ca -0.01 0.21 -0.06 0.00 -2.00 0.00 0.00 55.36 53.51 1aqk s GLN 82 Cb -0.18 -3.79 -0.02 0.00 0.80 0.00 0.00 33.01 29.83 1aqk s GLN 82 CO -0.10 -0.73 0.04 -1.64 -0.50 0.00 0.00 175.29 172.36 1aqk s MET 83 N 2.81 3.46 0.25 1.67 -1.94 0.62 -1.37 119.30 124.80 1aqk s MET 83 Ca 0.27 -0.59 0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1aqk s MET 83 Cb -0.14 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 1aqk s MET 83 CO 0.15 -0.24 -0.08 -0.80 -0.01 0.00 0.00 175.02 174.03 1aqk s ASN 84 N 1.55 4.20 -1.34 3.03 0.02 -0.43 -1.36 114.94 120.62 1aqk s ASN 84 Ca 0.05 -0.73 -0.07 0.00 -1.02 0.00 0.00 52.86 51.10 1aqk s ASN 84 Cb -0.15 -0.66 0.02 0.00 0.02 0.00 0.00 41.25 40.47 1aqk s ASN 84 CO 0.01 0.04 1.07 -0.24 0.02 0.00 0.00 177.10 178.00 1aqk n SER 85 N -0.58 -4.57 -4.68 -1.22 2.88 -0.94 -4.74 113.62 99.78 1aqk n SER 85 Ca -0.07 -0.62 -0.37 0.00 -1.33 0.00 0.00 58.87 56.47 1aqk n SER 85 Cb 0.58 -4.81 0.06 0.00 -0.75 0.00 0.00 64.21 59.29 1aqk n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1aqk n LEU 86 N -4.67 5.01 -4.40 2.46 4.77 -1.01 -4.54 117.00 114.61 1aqk n LEU 86 Ca -0.09 0.83 -0.20 0.00 -0.03 0.00 0.00 56.01 56.52 1aqk n LEU 86 Cb 0.59 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 1aqk n LEU 86 CO 0.66 -1.33 -0.39 -0.13 -1.33 0.00 0.00 177.39 174.86 1aqk s ARG 87 N -3.07 1.48 0.49 3.23 0.52 -1.26 -0.58 118.95 119.75 1aqk s ARG 87 Ca 0.79 -1.72 0.22 0.00 -0.52 0.00 0.00 55.73 54.50 1aqk s ARG 87 Cb -0.40 -1.15 1.27 0.00 0.52 0.00 0.00 34.95 35.19 1aqk s ARG 87 CO 0.44 0.10 2.04 -1.35 0.02 0.00 0.00 175.30 176.55 1aqk h PRO 88 N 2.38 0.00 0.00 3.54 0.11 -1.96 0.08 132.00 136.15 1aqk h PRO 88 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1aqk h PRO 88 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1aqk h PRO 88 CO 0.65 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1aqk n GLU 89 N -3.94 0.60 -0.03 1.05 0.00 -1.26 -2.07 120.64 114.98 1aqk n GLU 89 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.24 1aqk n GLU 89 Cb 0.24 -1.31 0.10 0.00 0.00 0.00 0.00 31.44 30.47 1aqk n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1aqk n ASP 90 N -0.81 2.73 -4.71 -1.84 8.00 0.02 -4.95 116.55 114.99 1aqk n ASP 90 Ca 0.09 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 1aqk n ASP 90 Cb 0.04 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1aqk n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1aqk n THR 91 N 1.11 0.17 0.00 -3.53 -1.04 -0.88 -4.90 114.28 105.21 1aqk n THR 91 Ca 0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1aqk n THR 91 Cb 0.49 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1aqk n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aqk n ALA 92 N 4.75 0.00 -2.62 2.41 0.00 -0.35 -4.35 120.51 120.34 1aqk n ALA 92 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1aqk n ALA 92 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 1aqk n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aqk s ILE 93 N -2.00 5.09 -0.13 0.00 1.01 -0.77 -0.90 121.20 123.49 1aqk s ILE 93 Ca 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.65 1aqk s ILE 93 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1aqk s ILE 93 CO 0.00 0.39 -0.06 -0.31 0.00 0.00 0.00 174.94 174.95 1aqk s TYR 94 N 0.15 2.96 0.14 3.97 1.51 0.21 -1.75 117.35 124.55 1aqk s TYR 94 Ca 0.27 -0.31 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 1aqk s TYR 94 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1aqk s TYR 94 CO 0.13 -0.00 -0.22 0.71 -1.11 0.00 0.00 175.55 175.06 1aqk s TYR 95 N 0.14 2.42 0.00 2.71 2.02 0.19 -1.39 117.35 123.44 1aqk s TYR 95 Ca -0.03 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1aqk s TYR 95 Cb -0.14 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1aqk s TYR 95 CO 0.03 0.41 -0.00 0.00 -1.57 0.00 0.00 175.55 174.42 1aqk s ALA 97 N -1.09 -0.12 0.26 0.00 0.00 0.14 -1.65 121.76 119.30 1aqk s ALA 97 Ca 0.20 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1aqk s ALA 97 Cb -0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 1aqk s ALA 97 CO 0.10 -0.04 0.69 0.50 0.00 0.00 0.00 175.76 177.01 1aqk s ARG 98 N 0.16 4.03 0.60 0.00 3.52 -0.61 -0.48 118.95 126.17 1aqk s ARG 98 Ca -0.01 0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 56.19 1aqk s ARG 98 Cb -0.02 -2.63 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 1aqk s ARG 98 CO -0.00 0.27 0.89 0.14 -0.81 0.00 0.00 175.30 175.79 1aqk s VAL 99 N -1.79 3.24 0.28 7.11 -7.23 -1.07 -2.61 120.40 118.34 1aqk s VAL 99 Ca 0.49 -0.20 0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1aqk s VAL 99 Cb -0.12 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1aqk s VAL 99 CO 0.19 -0.28 1.65 0.25 -0.31 0.00 0.00 175.10 176.60 1aqk h LEU 100 N -0.18 0.14 -9.20 1.32 5.85 -1.40 -3.44 115.31 108.41 1aqk h LEU 100 Ca -0.45 -0.07 -0.67 0.00 0.84 0.00 0.00 57.88 57.53 1aqk h LEU 100 Cb 1.28 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 42.09 1aqk h LEU 100 CO 0.59 0.64 -0.72 -0.36 -0.34 0.00 0.00 178.44 178.25 1aqk s PHE 101 N -3.88 2.82 0.71 1.25 0.08 -1.26 -5.05 117.98 112.65 1aqk s PHE 101 Ca -0.03 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 1aqk s PHE 101 Cb 0.13 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1aqk s PHE 101 CO 0.77 0.37 1.07 -0.65 -0.10 0.00 0.00 175.22 176.68 1aqk s GLN 102 N -1.65 2.81 3.92 0.44 -0.21 -1.26 -4.70 119.66 119.01 1aqk s GLN 102 Ca 0.18 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.33 1aqk s GLN 102 Cb -0.11 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1aqk s GLN 102 CO 0.09 -1.14 0.00 1.04 -2.12 0.00 0.00 175.29 173.16 1aqk n GLN 103 N -3.13 0.00 -0.16 2.91 6.02 0.11 -3.48 117.38 119.65 1aqk n GLN 103 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1aqk n GLN 103 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1aqk n GLN 103 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1aqk n LEU 104 N 0.00 3.65 -4.76 1.08 7.94 -1.26 -4.59 117.00 119.06 1aqk n LEU 104 Ca 0.00 -1.74 -0.39 0.00 -1.11 0.00 0.00 56.01 52.77 1aqk n LEU 104 Cb 0.00 -0.69 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1aqk n LEU 104 CO 0.00 0.65 0.69 0.54 -1.11 0.00 0.00 177.39 178.16 1aqk s VAL 105 N 0.05 3.94 0.33 1.96 0.11 -1.23 -5.04 120.40 120.52 1aqk s VAL 105 Ca 0.00 1.86 0.06 0.00 -2.93 0.00 0.00 61.98 60.98 1aqk s VAL 105 Cb 0.00 -4.15 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 1aqk s VAL 105 CO 0.00 0.38 0.45 -0.76 -3.33 0.00 0.00 175.10 171.83 1aqk s LEU 106 N -1.47 3.98 -1.19 2.54 1.43 -1.26 -4.47 118.68 118.23 1aqk s LEU 106 Ca 0.44 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1aqk s LEU 106 Cb -0.26 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1aqk s LEU 106 CO 0.32 -0.39 0.21 -1.22 0.23 0.00 0.00 176.35 175.50 1aqk n TYR 107 N -1.60 -1.57 -3.16 0.29 4.01 -1.26 -4.93 117.16 108.94 1aqk n TYR 107 Ca -0.01 0.19 -0.32 0.00 -0.16 0.00 0.00 57.90 57.60 1aqk n TYR 107 Cb 0.58 -3.02 -0.06 0.00 -0.31 0.00 0.00 39.34 36.53 1aqk n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aqk s ALA 108 N -2.78 3.34 0.95 -0.72 0.00 -1.26 -5.05 121.76 116.24 1aqk s ALA 108 Ca 0.15 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1aqk s ALA 108 Cb -0.08 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.46 1aqk s ALA 108 CO 0.19 0.35 1.14 -1.25 0.00 0.00 0.00 175.76 176.18 1aqk s PRO 109 N -2.97 0.83 -0.52 0.00 0.04 -1.26 -4.76 135.00 126.36 1aqk s PRO 109 Ca 0.54 0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1aqk s PRO 109 Cb -0.10 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.72 1aqk s PRO 109 CO 0.18 -2.40 0.54 -0.06 0.04 0.00 0.00 177.00 175.31 1aqk s PHE 110 N -3.26 3.14 -0.14 0.56 0.08 -1.26 -1.08 117.98 116.02 1aqk s PHE 110 Ca 0.65 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1aqk s PHE 110 Cb -0.14 -3.60 -0.24 0.00 -0.57 0.00 0.00 43.02 38.47 1aqk s PHE 110 CO 0.54 -1.02 0.28 -0.40 -0.10 0.00 0.00 175.22 174.52 1aqk n ASP 111 N 5.70 1.84 -4.47 1.36 5.75 -1.07 -4.89 116.55 120.76 1aqk n ASP 111 Ca -0.11 0.16 -0.33 0.00 -0.01 0.00 0.00 54.79 54.50 1aqk n ASP 111 Cb 0.43 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.80 1aqk n ASP 111 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1aqk s ILE 112 N -2.55 3.47 0.08 2.12 -1.09 -1.26 -5.03 121.20 116.94 1aqk s ILE 112 Ca -0.22 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.72 1aqk s ILE 112 Cb 0.07 -2.46 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 1aqk s ILE 112 CO 0.75 0.54 -0.13 0.26 -1.23 0.00 0.00 174.94 175.13 1aqk s TRP 113 N -0.06 1.16 0.14 3.97 0.52 -1.26 -1.57 118.94 121.84 1aqk s TRP 113 Ca -0.01 -0.50 -0.01 0.00 0.02 0.00 0.00 56.10 55.60 1aqk s TRP 113 Cb -0.14 -0.64 0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1aqk s TRP 113 CO 0.03 0.04 0.20 0.41 0.02 0.00 0.00 176.95 177.65 1aqk n GLY 114 N 1.13 0.15 0.05 0.98 0.00 -0.66 -4.71 105.19 102.13 1aqk n GLY 114 Ca -0.20 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.08 1aqk n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqk n GLN 115 N -1.38 0.29 0.00 1.61 0.00 -1.26 -4.84 117.38 111.80 1aqk n GLN 115 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 57.00 56.93 1aqk n GLN 115 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1aqk n GLN 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aqk n GLY 116 N 1.41 -0.90 2.91 2.61 0.00 -1.26 -5.02 105.19 104.93 1aqk n GLY 116 Ca 0.10 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1aqk n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aqk s THR 117 N -2.71 0.26 -0.02 2.61 -1.32 -0.49 -4.82 115.64 109.16 1aqk s THR 117 Ca 0.00 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 1aqk s THR 117 Cb 0.00 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.69 1aqk s THR 117 CO 0.00 0.09 0.74 -0.32 -2.21 0.00 0.00 174.62 172.92 1aqk s MET 118 N 0.16 4.46 -0.15 7.08 1.75 -1.26 0.66 119.30 132.00 1aqk s MET 118 Ca -0.01 0.98 0.01 0.00 -1.25 0.00 0.00 55.69 55.41 1aqk s MET 118 Cb -0.04 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.24 1aqk s MET 118 CO -0.00 0.16 -0.17 0.08 -0.65 0.00 0.00 175.02 174.44 1aqk s VAL 119 N 0.43 1.76 -0.19 10.11 1.01 -0.08 -2.26 120.40 131.18 1aqk s VAL 119 Ca 0.39 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1aqk s VAL 119 Cb -0.19 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1aqk s VAL 119 CO 0.21 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.75 1aqk s THR 120 N 1.31 2.46 -0.43 3.92 2.01 -1.04 -1.21 115.64 122.66 1aqk s THR 120 Ca 0.03 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 1aqk s THR 120 Cb -0.13 -2.06 0.07 0.00 0.01 0.00 0.00 72.50 70.38 1aqk s THR 120 CO -0.10 0.51 0.29 -0.69 -0.69 0.00 0.00 174.62 173.94 1aqk s VAL 121 N 1.31 4.54 0.09 3.82 1.01 -1.26 -0.97 120.40 128.93 1aqk s VAL 121 Ca 0.04 -1.24 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 1aqk s VAL 121 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1aqk s VAL 121 CO -0.09 -0.49 -0.02 -0.55 0.00 0.00 0.00 175.10 173.94 1aqk s SER 122 N 2.17 0.67 0.00 3.32 0.15 -0.17 -4.50 113.70 115.35 1aqk s SER 122 Ca 0.03 -1.05 0.23 0.00 0.70 0.00 0.00 55.95 55.86 1aqk s SER 122 Cb -0.23 0.18 0.16 0.00 -1.71 0.00 0.00 66.02 64.43 1aqk s SER 122 CO 0.04 -0.59 1.18 -1.20 1.20 0.00 0.00 173.24 173.87 1aqk n SER 123 N 0.01 0.75 -4.59 5.45 7.64 -1.26 -4.04 113.62 117.58 1aqk n SER 123 Ca -0.11 -0.61 -0.30 0.00 1.01 0.00 0.00 58.87 58.86 1aqk n SER 123 Cb 0.62 0.60 0.20 0.00 -1.01 0.00 0.00 64.21 64.62 1aqk n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqk s ALA 124 N -2.99 0.59 0.18 -0.43 0.00 -1.26 -5.01 121.76 112.83 1aqk s ALA 124 Ca 0.10 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.43 1aqk s ALA 124 Cb 0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1aqk s ALA 124 CO 0.78 -3.25 -0.23 -1.12 0.00 0.00 0.00 175.76 171.94 1aqk s SER 125 N -2.61 3.51 0.05 0.00 0.01 -1.26 -5.02 113.70 108.39 1aqk s SER 125 Ca 0.67 -0.81 -0.34 0.00 1.31 0.00 0.00 55.95 56.79 1aqk s SER 125 Cb -0.24 -0.31 -0.13 0.00 0.21 0.00 0.00 66.02 65.56 1aqk s SER 125 CO 0.61 0.13 1.73 0.41 0.41 0.00 0.00 173.24 176.53 1aqk n THR 126 N 0.37 0.29 -3.69 1.44 -1.04 -1.26 -4.68 114.28 105.70 1aqk n THR 126 Ca -0.13 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.70 1aqk n THR 126 Cb 0.55 -1.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 1aqk n THR 126 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1aqk s LYS 127 N 2.43 0.21 0.76 -2.82 2.20 -0.38 -4.95 119.74 117.19 1aqk s LYS 127 Ca 0.85 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 57.03 1aqk s LYS 127 Cb -0.66 -0.05 0.05 0.00 -1.51 0.00 0.00 37.83 35.66 1aqk s LYS 127 CO 0.43 -0.22 1.08 0.20 -0.36 0.00 0.00 175.35 176.49 1aqk s GLY 128 N 1.84 1.67 0.46 5.54 0.00 -1.26 -1.92 107.32 113.65 1aqk s GLY 128 Ca -0.05 0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.83 1aqk s GLY 128 CO -0.09 0.55 0.76 2.56 0.00 0.00 0.00 173.10 176.88 1aqk s PRO 129 N -4.94 3.56 -0.04 2.90 0.04 -1.26 -4.61 135.00 130.65 1aqk s PRO 129 Ca 0.61 0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 1aqk s PRO 129 Cb -0.16 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1aqk s PRO 129 CO 0.56 -0.16 0.31 -1.12 0.04 0.00 0.00 177.00 176.63 1aqk s SER 130 N -3.99 6.66 -0.11 6.66 0.01 0.14 -4.87 113.70 118.21 1aqk s SER 130 Ca 0.47 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.54 1aqk s SER 130 Cb -0.10 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1aqk s SER 130 CO 0.43 0.35 -0.16 -0.69 0.41 0.00 0.00 173.24 173.58 1aqk s VAL 131 N -1.06 1.59 0.08 3.43 1.01 -1.26 0.48 120.40 124.67 1aqk s VAL 131 Ca 0.21 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1aqk s VAL 131 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1aqk s VAL 131 CO 0.10 0.46 -0.22 -0.36 0.00 0.00 0.00 175.10 175.08 1aqk s PHE 132 N 0.93 1.88 0.42 5.22 0.08 -0.29 -4.95 117.98 121.28 1aqk s PHE 132 Ca -0.07 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 1aqk s PHE 132 Cb -0.15 -1.07 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 1aqk s PHE 132 CO -0.01 0.17 1.02 -1.25 -0.10 0.00 0.00 175.22 175.05 1aqk s PRO 133 N -1.62 4.10 -0.46 0.24 0.04 -1.26 0.07 135.00 136.12 1aqk s PRO 133 Ca 0.08 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1aqk s PRO 133 Cb -0.10 -2.36 0.12 0.00 0.04 0.00 0.00 34.50 32.21 1aqk s PRO 133 CO 0.03 -0.17 0.19 -0.51 0.04 0.00 0.00 177.00 176.59 1aqk s LEU 134 N -2.95 4.40 0.35 -3.56 1.43 0.19 -4.80 118.68 113.74 1aqk s LEU 134 Ca 0.61 -2.74 -0.26 0.00 -1.03 0.00 0.00 54.13 50.71 1aqk s LEU 134 Cb -0.17 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1aqk s LEU 134 CO 0.22 -0.28 1.10 0.00 0.23 0.00 0.00 176.35 177.62 1aqk s ALA 135 N 0.10 3.23 0.68 4.21 0.00 -1.26 -1.12 121.76 127.59 1aqk s ALA 135 Ca 0.15 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 1aqk s ALA 135 Cb -0.24 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1aqk s ALA 135 CO -0.03 -0.27 1.16 -1.25 0.00 0.00 0.00 175.76 175.37 1aqk s PRO 136 N -2.04 2.56 0.08 0.00 0.04 -1.26 -4.93 135.00 129.45 1aqk s PRO 136 Ca 0.52 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1aqk s PRO 136 Cb -0.28 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.44 1aqk s PRO 136 CO 0.36 -1.48 0.90 -1.54 0.04 0.00 0.00 177.00 175.28 1aqk s SER 137 N -2.18 -0.30 0.46 6.66 1.04 -1.26 -4.60 113.70 113.52 1aqk s SER 137 Ca 0.72 -0.18 0.19 0.00 0.48 0.00 0.00 55.95 57.16 1aqk s SER 137 Cb -0.25 0.45 1.17 0.00 0.10 0.00 0.00 66.02 67.48 1aqk s SER 137 CO 0.41 -0.78 1.93 0.28 0.98 0.00 0.00 173.24 176.06 1aqk h SER 138 N 2.00 0.28 0.00 7.02 0.02 -1.97 4.57 113.55 125.47 1aqk h SER 138 Ca -0.24 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1aqk h SER 138 Cb 1.24 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1aqk h SER 138 CO 0.29 0.14 0.04 1.17 -1.14 0.00 0.00 176.83 177.33 1aqk n LYS 139 N -4.44 0.11 -1.22 3.45 4.81 -1.26 -2.07 118.16 117.54 1aqk n LYS 139 Ca 0.14 0.61 -0.06 0.00 -0.87 0.00 0.00 58.31 58.13 1aqk n LYS 139 Cb 0.60 -1.92 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 1aqk n LYS 139 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1aqk n SER 140 N -2.12 -0.99 -4.77 3.14 7.64 0.31 -5.13 113.62 111.70 1aqk n SER 140 Ca -0.01 -1.89 -0.19 0.00 1.01 0.00 0.00 58.87 57.79 1aqk n SER 140 Cb 0.07 0.33 0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1aqk n SER 140 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1aqk n THR 141 N -0.23 0.00 -0.61 0.44 5.66 1.42 -3.30 114.28 117.66 1aqk n THR 141 Ca -0.24 -1.83 0.00 0.00 -3.05 0.00 0.00 64.05 58.92 1aqk n THR 141 Cb 0.70 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1aqk n THR 141 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1aqk n SER 142 N -2.35 0.00 -0.89 1.09 2.88 -1.12 -4.71 113.62 108.52 1aqk n SER 142 Ca 0.15 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1aqk n SER 142 Cb 0.57 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.18 1aqk n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aqk n GLY 143 N 0.17 1.31 0.00 0.46 0.00 -1.26 -4.71 105.19 101.16 1aqk n GLY 143 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1aqk n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqk n GLY 144 N 1.13 0.94 3.52 -0.02 0.00 -1.26 -5.05 105.19 104.45 1aqk n GLY 144 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1aqk n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aqk s THR 145 N -1.18 2.64 0.13 2.61 -4.23 -1.26 -1.99 115.64 112.37 1aqk s THR 145 Ca 0.00 -2.27 0.07 0.00 -1.18 0.00 0.00 61.69 58.31 1aqk s THR 145 Cb 0.00 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1aqk s THR 145 CO 0.00 -0.36 -0.17 0.00 -0.54 0.00 0.00 174.62 173.54 1aqk s ALA 146 N -2.49 1.75 -0.22 3.99 0.00 1.39 -2.79 121.76 123.39 1aqk s ALA 146 Ca 0.31 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1aqk s ALA 146 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1aqk s ALA 146 CO 0.16 0.23 -0.02 0.00 0.00 0.00 0.00 175.76 176.13 1aqk s ALA 147 N -1.77 2.89 0.08 0.00 0.00 -1.21 0.19 121.76 121.94 1aqk s ALA 147 Ca 0.10 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1aqk s ALA 147 Cb -0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1aqk s ALA 147 CO 0.05 -0.36 -0.05 -0.48 0.00 0.00 0.00 175.76 174.91 1aqk s LEU 148 N 1.37 2.50 0.00 0.00 0.05 -0.92 -4.21 118.68 117.47 1aqk s LEU 148 Ca 0.04 -1.00 0.00 0.00 0.05 0.00 0.00 54.13 53.23 1aqk s LEU 148 Cb -0.14 0.03 0.00 0.00 -2.05 0.00 0.00 46.19 44.03 1aqk s LEU 148 CO -0.01 -0.51 0.00 0.61 -0.55 0.00 0.00 176.35 175.88 1aqk n GLY 149 N 0.04 1.92 2.97 -3.48 0.00 -0.28 -1.35 105.19 105.01 1aqk n GLY 149 Ca -0.13 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 1aqk n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqk s LEU 151 N 0.57 4.01 -0.43 0.00 2.96 0.11 -1.79 118.68 124.10 1aqk s LEU 151 Ca -0.09 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 1aqk s LEU 151 Cb -0.13 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.61 1aqk s LEU 151 CO 0.01 0.11 0.26 -0.69 -1.32 0.00 0.00 176.35 174.72 1aqk s VAL 152 N 0.80 3.97 0.04 1.68 1.01 0.12 -1.14 120.40 126.88 1aqk s VAL 152 Ca 0.06 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.41 1aqk s VAL 152 Cb -0.13 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1aqk s VAL 152 CO 0.02 -0.61 0.05 -0.75 0.00 0.00 0.00 175.10 173.82 1aqk s LYS 153 N 1.34 2.88 -0.42 2.72 2.20 0.18 -1.42 119.74 127.21 1aqk s LYS 153 Ca 0.04 -0.63 -0.38 0.00 -0.36 0.00 0.00 55.97 54.65 1aqk s LYS 153 Cb -0.24 -2.73 0.06 0.00 -1.51 0.00 0.00 37.83 33.40 1aqk s LYS 153 CO -0.00 0.60 0.63 -0.25 -0.36 0.00 0.00 175.35 175.97 1aqk n ASP 154 N 0.88 -5.54 -4.35 1.43 8.00 -1.04 0.24 116.55 116.16 1aqk n ASP 154 Ca -0.11 -0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.07 1aqk n ASP 154 Cb 0.52 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 1aqk n ASP 154 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1aqk s TYR 155 N -1.43 1.65 -0.28 1.24 -0.85 -0.48 -4.41 117.35 112.79 1aqk s TYR 155 Ca 0.37 -0.92 -0.18 0.00 -0.52 0.00 0.00 57.07 55.82 1aqk s TYR 155 Cb -0.04 -0.97 0.10 0.00 0.38 0.00 0.00 41.96 41.42 1aqk s TYR 155 CO 0.83 -0.01 0.78 0.12 -1.52 0.00 0.00 175.55 175.74 1aqk s PHE 156 N -3.38 -0.89 0.22 -3.49 5.36 -0.81 -0.86 117.98 114.14 1aqk s PHE 156 Ca 0.30 1.83 0.03 0.00 -0.96 0.00 0.00 56.93 58.13 1aqk s PHE 156 Cb 0.06 0.51 0.03 0.00 -0.34 0.00 0.00 43.02 43.27 1aqk s PHE 156 CO 0.10 -0.44 0.22 -0.35 -1.46 0.00 0.00 175.22 173.29 1aqk n PRO 157 N 3.83 1.06 -1.17 10.12 -0.04 -1.26 -1.25 135.00 146.28 1aqk n PRO 157 Ca -0.18 -1.31 -0.30 0.00 -0.04 0.00 0.00 63.50 61.66 1aqk n PRO 157 Cb 0.58 0.06 0.12 0.00 -0.04 0.00 0.00 33.50 34.22 1aqk n PRO 157 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1aqk s GLN 158 N -2.94 1.69 0.53 0.54 -1.52 -1.26 -4.79 119.66 111.90 1aqk s GLN 158 Ca 0.16 1.06 0.05 0.00 -1.95 0.00 0.00 55.36 54.69 1aqk s GLN 158 Cb -0.01 -1.84 0.02 0.00 -0.22 0.00 0.00 33.01 30.96 1aqk s GLN 158 CO 0.10 -2.01 0.35 -1.25 -0.25 0.00 0.00 175.29 172.24 1aqk s PRO 159 N -4.88 2.26 0.20 2.91 0.04 -1.26 -4.95 135.00 129.32 1aqk s PRO 159 Ca 0.63 -2.02 0.09 0.00 0.04 0.00 0.00 61.00 59.74 1aqk s PRO 159 Cb -0.18 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1aqk s PRO 159 CO 0.57 -0.54 -0.17 0.14 0.04 0.00 0.00 177.00 177.04 1aqk s VAL 160 N -2.75 1.93 -0.08 -0.36 -7.23 -1.26 -4.48 120.40 106.17 1aqk s VAL 160 Ca 0.33 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1aqk s VAL 160 Cb -0.02 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1aqk s VAL 160 CO 0.20 -0.44 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.47 1aqk s THR 161 N -2.49 1.68 -0.01 5.32 2.01 -0.85 -4.99 115.64 116.31 1aqk s THR 161 Ca 0.21 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.48 1aqk s THR 161 Cb -0.04 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1aqk s THR 161 CO 0.08 0.48 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.55 1aqk s VAL 162 N 0.37 2.00 0.17 3.82 1.01 -1.26 -1.36 120.40 125.15 1aqk s VAL 162 Ca -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1aqk s VAL 162 Cb -0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1aqk s VAL 162 CO 0.06 0.54 0.04 -0.94 0.00 0.00 0.00 175.10 174.80 1aqk s SER 163 N -0.66 0.83 0.06 3.32 1.04 -0.73 -4.98 113.70 112.58 1aqk s SER 163 Ca 0.10 -1.22 0.07 0.00 0.48 0.00 0.00 55.95 55.37 1aqk s SER 163 Cb -0.10 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1aqk s SER 163 CO -0.01 -0.66 -0.19 0.26 0.98 0.00 0.00 173.24 173.62 1aqk s TRP 164 N -3.84 1.67 -1.63 5.02 0.52 -1.26 0.02 118.94 119.44 1aqk s TRP 164 Ca 0.26 -0.38 -0.19 0.00 0.02 0.00 0.00 56.10 55.81 1aqk s TRP 164 Cb 0.07 -0.97 0.18 0.00 -1.15 0.00 0.00 33.47 31.60 1aqk s TRP 164 CO 0.05 0.11 0.62 0.09 0.02 0.00 0.00 176.95 177.83 1aqk n ASN 165 N 1.64 -2.49 -3.86 2.95 4.13 0.13 -1.28 115.26 116.48 1aqk n ASN 165 Ca -0.18 -0.96 -0.27 0.00 1.68 0.00 0.00 54.58 54.85 1aqk n ASN 165 Cb 0.54 -2.10 0.02 0.00 -1.54 0.00 0.00 39.78 36.70 1aqk n ASN 165 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1aqk n SER 166 N -2.44 -3.44 0.00 6.41 7.64 -1.26 -2.01 113.62 118.51 1aqk n SER 166 Ca 0.09 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1aqk n SER 166 Cb 0.48 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1aqk n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aqk n GLY 167 N -1.67 3.02 0.26 0.23 0.00 -0.40 -4.90 105.19 101.72 1aqk n GLY 167 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1aqk n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqk h ALA 168 N 0.00 1.40 -2.83 4.61 0.00 -1.45 -3.38 119.26 117.60 1aqk h ALA 168 Ca 0.00 -0.10 -0.71 0.00 0.00 0.00 0.00 54.91 54.10 1aqk h ALA 168 Cb 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 17.52 1aqk h ALA 168 CO 0.00 0.14 -0.52 -1.17 0.00 0.00 0.00 179.25 177.70 1aqk s LEU 169 N -7.59 4.70 0.00 0.00 0.20 -1.22 -4.91 118.68 109.86 1aqk s LEU 169 Ca -0.03 -1.02 0.00 0.00 0.69 0.00 0.00 54.13 53.77 1aqk s LEU 169 Cb 0.14 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.89 1aqk s LEU 169 CO 0.60 -0.38 0.11 0.35 -0.29 0.00 0.00 176.35 176.73 1aqk n THR 170 N 4.98 0.00 -4.03 3.68 -2.24 -1.26 -4.40 114.28 111.01 1aqk n THR 170 Ca -0.12 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 1aqk n THR 170 Cb 0.46 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1aqk n THR 170 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1aqk s SER 171 N -0.40 5.80 0.00 3.42 1.04 -1.26 -4.33 113.70 117.98 1aqk s SER 171 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1aqk s SER 171 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1aqk s SER 171 CO 0.00 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1aqk n GLY 172 N 2.76 0.93 3.75 7.32 0.00 -1.26 -4.77 105.19 113.92 1aqk n GLY 172 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1aqk n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqk s VAL 173 N -2.24 4.26 -0.15 1.61 1.01 -1.26 -2.43 120.40 121.20 1aqk s VAL 173 Ca 0.00 2.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 1aqk s VAL 173 Cb 0.00 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.15 1aqk s VAL 173 CO 0.00 0.44 0.18 -2.28 0.00 0.00 0.00 175.10 173.43 1aqk s HIS 174 N -0.75 -0.16 -0.32 5.22 2.46 0.41 -4.98 115.29 117.17 1aqk s HIS 174 Ca 0.42 0.27 -0.12 0.00 0.47 0.00 0.00 55.06 56.11 1aqk s HIS 174 Cb -0.25 -0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 31.79 1aqk s HIS 174 CO 0.30 -0.46 0.22 0.99 -2.47 0.00 0.00 174.74 173.32 1aqk s THR 175 N 2.28 5.29 0.36 0.89 2.01 -1.26 -0.65 115.64 124.56 1aqk s THR 175 Ca 0.05 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1aqk s THR 175 Cb -0.14 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1aqk s THR 175 CO -0.09 0.08 0.83 -0.36 -0.69 0.00 0.00 174.62 174.38 1aqk s PHE 176 N 1.74 3.38 0.53 4.92 0.40 -0.51 -5.01 117.98 123.43 1aqk s PHE 176 Ca 0.06 1.41 -0.23 0.00 -0.60 0.00 0.00 56.93 57.58 1aqk s PHE 176 Cb -0.17 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.62 1aqk s PHE 176 CO 0.11 0.04 1.39 -2.30 0.70 0.00 0.00 175.22 175.15 1aqk n PRO 177 N -0.35 1.83 -1.77 0.24 -0.02 -1.26 -4.37 135.00 129.31 1aqk n PRO 177 Ca 0.04 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 1aqk n PRO 177 Cb 0.53 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1aqk n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aqk s ALA 178 N -1.26 2.54 -0.04 3.55 0.00 -1.26 -4.81 121.76 120.48 1aqk s ALA 178 Ca 0.69 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1aqk s ALA 178 Cb -0.42 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1aqk s ALA 178 CO 0.51 -1.20 -0.01 0.54 0.00 0.00 0.00 175.76 175.60 1aqk s VAL 179 N -2.48 4.12 -0.45 0.00 0.11 0.48 -4.93 120.40 117.25 1aqk s VAL 179 Ca 0.65 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 59.07 1aqk s VAL 179 Cb -0.18 -2.78 0.06 0.00 -1.53 0.00 0.00 36.38 31.94 1aqk s VAL 179 CO 0.43 0.48 0.36 -0.22 -3.33 0.00 0.00 175.10 172.82 1aqk s LEU 180 N -1.24 5.46 0.90 2.54 2.96 -1.26 -1.92 118.68 126.13 1aqk s LEU 180 Ca 0.16 -1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 52.73 1aqk s LEU 180 Cb -0.11 -2.16 0.13 0.00 0.50 0.00 0.00 46.19 44.54 1aqk s LEU 180 CO 0.06 -0.59 1.09 -1.10 -1.32 0.00 0.00 176.35 174.50 1aqk s GLN 181 N 1.64 1.23 0.10 1.98 -0.21 0.03 -4.86 119.66 119.57 1aqk s GLN 181 Ca 0.04 0.83 0.21 0.00 0.02 0.00 0.00 55.36 56.46 1aqk s GLN 181 Cb -0.23 -1.81 0.86 0.00 1.00 0.00 0.00 33.01 32.83 1aqk s GLN 181 CO 0.07 -2.26 1.66 0.43 -2.12 0.00 0.00 175.29 173.07 1aqk n SER 182 N -3.90 0.30 0.00 5.90 7.64 -1.26 -1.38 113.62 120.92 1aqk n SER 182 Ca 0.07 0.56 0.15 0.00 1.01 0.00 0.00 58.87 60.65 1aqk n SER 182 Cb 0.55 -0.63 0.78 0.00 -1.01 0.00 0.00 64.21 63.90 1aqk n SER 182 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1aqk n SER 183 N -1.81 0.00 0.00 6.43 3.41 -1.26 -4.89 113.62 115.50 1aqk n SER 183 Ca 0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1aqk n SER 183 Cb 0.25 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1aqk n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqk n GLY 184 N 1.12 1.19 3.86 5.00 0.00 -0.48 -4.96 105.19 110.91 1aqk n GLY 184 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1aqk n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqk s LEU 185 N 0.00 3.96 0.28 0.99 1.43 -1.26 -4.87 118.68 119.21 1aqk s LEU 185 Ca 0.00 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1aqk s LEU 185 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1aqk s LEU 185 CO 0.00 0.00 0.27 -0.31 0.23 0.00 0.00 176.35 176.54 1aqk s TYR 186 N -1.93 3.10 -0.04 0.29 1.51 -0.04 -0.79 117.35 119.45 1aqk s TYR 186 Ca 0.33 -0.16 -0.10 0.00 -1.01 0.00 0.00 57.07 56.12 1aqk s TYR 186 Cb -0.09 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1aqk s TYR 186 CO 0.26 0.37 0.23 -1.12 -1.11 0.00 0.00 175.55 174.18 1aqk s SER 187 N -3.93 -0.14 0.20 2.29 0.01 -0.81 -1.38 113.70 109.94 1aqk s SER 187 Ca 0.36 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.64 1aqk s SER 187 Cb -0.08 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 1aqk s SER 187 CO 0.26 -0.30 0.38 -1.48 0.41 0.00 0.00 173.24 172.51 1aqk s LEU 188 N -0.86 0.61 0.00 2.44 0.05 -0.51 -0.39 118.68 120.03 1aqk s LEU 188 Ca -0.09 -0.87 0.02 0.00 0.05 0.00 0.00 54.13 53.23 1aqk s LEU 188 Cb -0.05 1.48 -0.01 0.00 -2.05 0.00 0.00 46.19 45.56 1aqk s LEU 188 CO 0.02 -1.00 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.32 1aqk s SER 189 N -2.99 0.69 -0.09 1.48 0.01 -1.26 0.11 113.70 111.65 1aqk s SER 189 Ca 0.19 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.33 1aqk s SER 189 Cb 0.02 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.19 1aqk s SER 189 CO 0.04 0.04 -0.19 -0.55 0.41 0.00 0.00 173.24 172.98 1aqk s SER 190 N -0.30 2.56 0.23 2.44 0.15 -0.74 -1.42 113.70 116.62 1aqk s SER 190 Ca 0.01 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.30 1aqk s SER 190 Cb -0.03 -1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1aqk s SER 190 CO -0.00 0.11 -0.17 -0.69 1.20 0.00 0.00 173.24 173.68 1aqk s VAL 191 N 0.48 2.05 0.03 4.45 1.01 0.17 -1.45 120.40 127.14 1aqk s VAL 191 Ca -0.17 -2.26 0.01 0.00 0.00 0.00 0.00 61.98 59.57 1aqk s VAL 191 Cb -0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1aqk s VAL 191 CO 0.07 -0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 173.94 1aqk s VAL 192 N -2.67 0.34 -0.14 2.92 1.01 -0.45 -0.45 120.40 120.97 1aqk s VAL 192 Ca 0.25 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1aqk s VAL 192 Cb -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1aqk s VAL 192 CO 0.10 -0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 173.79 1aqk s THR 193 N -1.32 3.12 0.06 3.92 2.01 -1.02 -2.16 115.64 120.25 1aqk s THR 193 Ca -0.12 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1aqk s THR 193 Cb -0.09 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1aqk s THR 193 CO -0.00 0.52 0.05 0.68 -0.69 0.00 0.00 174.62 175.18 1aqk s VAL 194 N 0.42 0.18 -0.06 3.82 -7.23 0.52 -4.81 120.40 113.24 1aqk s VAL 194 Ca -0.09 -1.49 -0.33 0.00 -1.81 0.00 0.00 61.98 58.25 1aqk s VAL 194 Cb -0.16 -1.34 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 1aqk s VAL 194 CO 0.05 -0.83 1.89 -0.81 -0.31 0.00 0.00 175.10 175.09 1aqk n PRO 195 N 0.19 2.31 0.00 4.82 -0.04 -1.26 0.41 135.00 141.44 1aqk n PRO 195 Ca -0.15 0.85 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1aqk n PRO 195 Cb 0.61 -2.71 0.71 0.00 -0.04 0.00 0.00 33.50 32.06 1aqk n PRO 195 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aqk n SER 196 N 6.71 0.00 -1.04 3.54 2.88 -0.84 -3.19 113.62 121.68 1aqk n SER 196 Ca 0.22 -0.56 0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1aqk n SER 196 Cb 0.32 -0.09 0.22 0.00 -0.75 0.00 0.00 64.21 63.91 1aqk n SER 196 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1aqk n SER 197 N -1.09 3.13 0.00 -3.46 3.41 -1.26 -4.13 113.62 110.21 1aqk n SER 197 Ca 0.17 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1aqk n SER 197 Cb 0.12 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1aqk n SER 197 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aqk n SER 198 N 1.30 0.95 -4.59 4.04 3.41 -1.19 -4.98 113.62 112.56 1aqk n SER 198 Ca 0.18 -1.46 -0.33 0.00 -0.26 0.00 0.00 58.87 57.01 1aqk n SER 198 Cb 0.57 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1aqk n SER 198 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1aqk n LEU 199 N -0.23 2.52 0.00 1.04 4.77 -1.25 -0.65 117.00 123.20 1aqk n LEU 199 Ca 0.00 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1aqk n LEU 199 Cb 0.36 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1aqk n LEU 199 CO 0.00 -2.49 0.00 0.61 -1.33 0.00 0.00 177.39 174.18 1aqk n GLY 200 N 0.78 1.27 0.06 -0.72 0.00 -1.26 -4.35 105.19 100.97 1aqk n GLY 200 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1aqk n GLY 200 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1aqk n THR 201 N -0.77 0.56 -4.44 2.61 5.66 0.18 -4.93 114.28 113.14 1aqk n THR 201 Ca 0.00 -0.61 -0.33 0.00 -3.05 0.00 0.00 64.05 60.06 1aqk n THR 201 Cb 0.00 -0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 68.42 1aqk n THR 201 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1aqk s GLN 202 N -3.20 2.76 -0.11 1.09 -0.44 -0.74 -5.12 119.66 113.90 1aqk s GLN 202 Ca -0.06 -0.58 -0.05 0.00 -2.50 0.00 0.00 55.36 52.17 1aqk s GLN 202 Cb 0.11 -2.63 -0.04 0.00 -1.64 0.00 0.00 33.01 28.81 1aqk s GLN 202 CO 0.86 0.65 0.07 -0.08 0.50 0.00 0.00 175.29 177.29 1aqk s THR 203 N -0.94 4.93 -0.08 -0.34 -1.32 -1.26 -4.91 115.64 111.72 1aqk s THR 203 Ca 0.16 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.64 1aqk s THR 203 Cb -0.11 -3.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.77 1aqk s THR 203 CO 0.05 0.60 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.64 1aqk s TYR 204 N -0.87 1.51 -0.04 9.09 2.02 -1.26 -4.95 117.35 122.84 1aqk s TYR 204 Ca 0.13 -0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1aqk s TYR 204 Cb -0.12 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1aqk s TYR 204 CO 0.03 -0.34 0.00 0.42 -1.57 0.00 0.00 175.55 174.09 1aqk s ILE 205 N 0.90 0.21 -0.05 2.71 1.01 -1.26 0.27 121.20 125.00 1aqk s ILE 205 Ca -0.10 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1aqk s ILE 205 Cb -0.15 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1aqk s ILE 205 CO 0.01 0.18 0.34 0.00 0.00 0.00 0.00 174.94 175.47 1aqk s ASN 207 N -0.87 5.31 -0.14 0.00 -0.87 0.10 -1.63 114.94 116.84 1aqk s ASN 207 Ca 0.21 -0.94 -0.01 0.00 -1.57 0.00 0.00 52.86 50.55 1aqk s ASN 207 Cb -0.15 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.25 39.17 1aqk s ASN 207 CO 0.10 -0.28 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.54 1aqk s VAL 208 N 1.47 3.10 -0.16 1.60 1.01 0.34 -1.78 120.40 125.98 1aqk s VAL 208 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1aqk s VAL 208 Cb -0.18 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1aqk s VAL 208 CO 0.03 0.51 -0.19 0.21 0.00 0.00 0.00 175.10 175.67 1aqk s ASN 209 N 0.52 2.96 -0.58 3.32 3.84 -0.46 -0.03 114.94 124.51 1aqk s ASN 209 Ca -0.08 -0.58 0.04 0.00 0.21 0.00 0.00 52.86 52.44 1aqk s ASN 209 Cb -0.16 -1.37 0.14 0.00 -0.55 0.00 0.00 41.25 39.32 1aqk s ASN 209 CO 0.04 0.00 0.34 -2.28 -2.79 0.00 0.00 177.10 172.41 1aqk s HIS 210 N 1.23 3.31 0.22 0.43 2.46 0.10 -2.01 115.29 121.03 1aqk s HIS 210 Ca 0.02 -3.20 -0.16 0.00 0.47 0.00 0.00 55.06 52.19 1aqk s HIS 210 Cb -0.14 -2.82 0.24 0.00 -0.13 0.00 0.00 32.58 29.74 1aqk s HIS 210 CO -0.10 -0.70 1.58 0.87 -2.47 0.00 0.00 174.74 173.93 1aqk h LYS 211 N 6.23 -0.06 -0.96 2.88 1.79 -1.81 -0.91 116.57 123.73 1aqk h LYS 211 Ca -0.01 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.66 1aqk h LYS 211 Cb 0.86 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 1aqk h LYS 211 CO 0.70 -0.04 0.61 -1.35 -1.08 0.00 0.00 179.45 178.29 1aqk h PRO 212 N -0.06 0.56 -0.38 3.15 0.11 -1.89 -2.07 132.00 131.42 1aqk h PRO 212 Ca 0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1aqk h PRO 212 Cb 0.58 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1aqk h PRO 212 CO -0.81 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 176.22 1aqk n SER 213 N -4.62 3.73 -3.93 -2.05 3.41 -0.40 -4.96 113.62 104.79 1aqk n SER 213 Ca 0.21 -2.49 -0.27 0.00 -0.26 0.00 0.00 58.87 56.06 1aqk n SER 213 Cb 0.64 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1aqk n SER 213 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aqk n ASN 214 N 0.27 -1.97 -4.14 4.04 4.13 -0.78 -4.90 115.26 111.92 1aqk n ASN 214 Ca 0.19 -0.92 -0.29 0.00 1.68 0.00 0.00 54.58 55.24 1aqk n ASN 214 Cb 0.71 -3.41 -0.17 0.00 -1.54 0.00 0.00 39.78 35.37 1aqk n ASN 214 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1aqk s THR 215 N -3.64 1.71 -0.01 3.41 2.01 -1.17 -5.03 115.64 112.92 1aqk s THR 215 Ca 0.27 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.54 1aqk s THR 215 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1aqk s THR 215 CO 0.87 0.48 -0.24 -0.54 -0.69 0.00 0.00 174.62 174.50 1aqk s LYS 216 N 0.51 1.91 -0.00 4.92 3.01 -1.26 0.01 119.74 128.84 1aqk s LYS 216 Ca -0.16 -0.89 0.02 0.00 -1.01 0.00 0.00 55.97 53.93 1aqk s LYS 216 Cb -0.17 -1.88 -0.01 0.00 -1.01 0.00 0.00 37.83 34.77 1aqk s LYS 216 CO 0.06 0.51 -0.08 0.08 0.51 0.00 0.00 175.35 176.44 1aqk s VAL 217 N -0.60 0.59 -0.12 3.17 1.01 0.96 -4.97 120.40 120.44 1aqk s VAL 217 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1aqk s VAL 217 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1aqk s VAL 217 CO -0.00 0.12 -0.13 -1.81 0.00 0.00 0.00 175.10 173.27 1aqk s ASP 218 N -0.30 4.04 -0.05 3.32 1.01 -1.26 -0.50 116.67 122.93 1aqk s ASP 218 Ca 0.02 -0.29 -0.02 0.00 0.71 0.00 0.00 52.55 52.97 1aqk s ASP 218 Cb -0.03 -1.48 0.03 0.00 1.01 0.00 0.00 42.92 42.45 1aqk s ASP 218 CO -0.00 0.20 0.04 -0.75 0.21 0.00 0.00 175.17 174.87 1aqk s LYS 219 N 0.14 0.13 0.21 8.23 2.47 -0.65 -4.98 119.74 125.30 1aqk s LYS 219 Ca -0.07 0.29 -0.30 0.00 -1.56 0.00 0.00 55.97 54.34 1aqk s LYS 219 Cb -0.15 -0.66 -0.08 0.00 -1.46 0.00 0.00 37.83 35.47 1aqk s LYS 219 CO 0.05 -0.32 0.99 0.21 0.16 0.00 0.00 175.35 176.43 1aqk s LYS 220 N 2.11 4.77 -0.16 4.03 2.20 -1.26 -1.09 119.74 130.34 1aqk s LYS 220 Ca 0.05 1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 57.21 1aqk s LYS 220 Cb -0.12 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1aqk s LYS 220 CO -0.04 0.36 -0.12 0.54 -0.36 0.00 0.00 175.35 175.74 1aqk s VAL 221 N -0.85 3.01 0.06 4.02 0.11 0.14 -4.87 120.40 122.02 1aqk s VAL 221 Ca 0.44 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1aqk s VAL 221 Cb -0.27 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.26 1aqk s VAL 221 CO 0.33 0.50 -0.08 -1.83 -3.33 0.00 0.00 175.10 170.70 1aqk s GLU 222 N 0.71 0.62 -0.02 1.54 -1.05 -1.26 -4.43 118.70 114.81 1aqk s GLU 222 Ca -0.06 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 53.57 1aqk s GLU 222 Cb -0.15 -0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.17 1aqk s GLU 222 CO 0.02 0.05 1.38 -1.25 0.95 0.00 0.00 175.26 176.41 1aqk s PRO 223 N -2.06 4.28 0.00 -4.83 0.04 -1.26 -4.63 135.00 126.54 1aqk s PRO 223 Ca -0.05 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1aqk s PRO 223 Cb -0.07 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1aqk s PRO 223 CO -0.00 -0.58 0.00 0.36 0.04 0.00 0.00 177.00 176.82 1aqk n LYS 224 N 5.48 2.03 -2.70 4.56 0.00 -1.26 -5.05 118.16 121.21 1aqk n LYS 224 Ca 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.39 1aqk n LYS 224 Cb 0.44 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.52 1aqk n LYS 224 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1aqk n SER 225 N 0.00 -1.97 0.00 -5.58 3.41 -1.26 -5.12 113.62 103.10 1aqk n SER 225 Ca 0.00 -2.08 0.03 0.00 -0.26 0.00 0.00 58.87 56.56 1aqk n SER 225 Cb 0.00 1.10 0.19 0.00 -0.26 0.00 0.00 64.21 65.24 1aqk n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88