#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owk s ILE 2 N 0.00 5.15 0.00 1.39 -1.09 0.33 -3.70 121.20 123.29 1owk s ILE 2 Ca 0.00 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1owk s ILE 2 Cb 0.00 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1owk s ILE 2 CO 0.00 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1owk n GLY 3 N 4.72 1.02 7.00 6.18 0.00 -1.26 -2.37 105.19 120.48 1owk n GLY 3 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1owk n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owk n GLY 4 N 0.00 0.22 3.33 -0.02 0.00 -1.26 -4.88 105.19 102.57 1owk n GLY 4 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1owk n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1owk s GLU 5 N 0.00 1.24 0.09 1.61 2.02 0.36 -4.95 118.70 119.06 1owk s GLU 5 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 1owk s GLU 5 Cb 0.00 -1.43 -0.05 0.00 0.10 0.00 0.00 34.13 32.75 1owk s GLU 5 CO 0.00 0.31 0.96 -0.06 0.02 0.00 0.00 175.26 176.49 1owk s PHE 6 N -1.62 3.78 0.29 1.61 0.40 -1.26 -0.59 117.98 120.59 1owk s PHE 6 Ca 0.12 1.77 0.02 0.00 -0.60 0.00 0.00 56.93 58.24 1owk s PHE 6 Cb -0.08 -3.06 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 1owk s PHE 6 CO 0.06 0.17 0.11 -0.08 0.70 0.00 0.00 175.22 176.18 1owk s THR 7 N 0.20 0.58 0.12 0.64 -1.32 -0.44 -4.91 115.64 110.51 1owk s THR 7 Ca 0.48 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.06 1owk s THR 7 Cb -0.23 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 1owk s THR 7 CO 0.29 0.00 -0.25 0.42 -2.21 0.00 0.00 174.62 172.87 1owk s THR 8 N -3.62 2.36 0.56 5.08 -4.23 -1.26 -4.03 115.64 110.50 1owk s THR 8 Ca 0.36 -1.67 0.36 0.00 -1.18 0.00 0.00 61.69 59.56 1owk s THR 8 Cb 0.07 -2.04 0.53 0.00 1.34 0.00 0.00 72.50 72.40 1owk s THR 8 CO 0.15 0.12 1.71 -0.29 -0.54 0.00 0.00 174.62 175.78 1owk h ILE 9 N 3.86 0.28 -0.84 2.99 6.09 -1.86 -0.99 117.51 127.04 1owk h ILE 9 Ca -0.50 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.14 1owk h ILE 9 Cb 1.17 0.32 -0.06 0.00 0.47 0.00 0.00 36.82 38.72 1owk h ILE 9 CO 0.41 0.00 0.55 1.05 -3.07 0.00 0.00 178.15 177.09 1owk h GLU 10 N 0.00 0.53 0.00 2.19 4.11 -1.89 0.29 114.58 119.81 1owk h GLU 10 Ca 0.55 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.86 1owk h GLU 10 Cb 2.41 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.53 1owk h GLU 10 CO -0.01 0.35 -0.43 -0.91 0.07 0.00 0.00 179.01 178.09 1owk h ASN 11 N 0.55 0.00 -2.27 3.06 -0.26 -1.54 -3.33 115.58 111.80 1owk h ASN 11 Ca 0.42 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.57 1owk h ASN 11 Cb 0.83 0.00 -0.42 0.00 -1.06 0.00 0.00 38.32 37.67 1owk h ASN 11 CO -0.17 0.43 -0.63 0.00 -1.06 0.00 0.00 177.43 176.00 1owk n GLN 12 N -3.39 3.09 -0.18 0.81 1.13 0.98 -4.93 117.38 114.88 1owk n GLN 12 Ca 0.01 -4.82 0.25 0.00 -1.94 0.00 0.00 57.00 50.49 1owk n GLN 12 Cb 0.60 -2.24 0.65 0.00 0.11 0.00 0.00 30.24 29.36 1owk n GLN 12 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1owk h PRO 13 N 3.23 0.12 -0.20 -1.09 0.13 -1.57 -1.92 132.00 130.70 1owk h PRO 13 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1owk h PRO 13 Cb 0.54 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1owk h PRO 13 CO 0.82 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 176.00 1owk n TRP 14 N -4.36 0.26 -2.81 1.56 2.14 -1.22 -1.97 117.44 111.05 1owk n TRP 14 Ca 0.18 -0.13 -0.41 0.00 2.07 0.00 0.00 57.50 59.20 1owk n TRP 14 Cb 0.84 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.31 1owk n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1owk s PHE 15 N -1.74 3.58 -0.13 -2.67 5.36 -0.73 -1.64 117.98 120.02 1owk s PHE 15 Ca 0.33 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.79 1owk s PHE 15 Cb 0.18 -3.04 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1owk s PHE 15 CO 0.27 -0.05 -0.04 0.00 -1.46 0.00 0.00 175.22 173.93 1owk s ALA 16 N 1.28 3.03 -0.41 11.12 0.00 -0.52 -4.49 121.76 131.76 1owk s ALA 16 Ca 0.46 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1owk s ALA 16 Cb -0.19 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1owk s ALA 16 CO 0.22 0.34 0.42 0.00 0.00 0.00 0.00 175.76 176.74 1owk s ALA 17 N -0.06 3.44 -0.26 0.00 0.00 -0.32 -1.87 121.76 122.69 1owk s ALA 17 Ca 0.02 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 1owk s ALA 17 Cb -0.13 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1owk s ALA 17 CO 0.03 -1.54 0.24 0.42 0.00 0.00 0.00 175.76 174.90 1owk s ILE 18 N 2.09 5.29 0.45 0.00 1.01 -0.30 -0.76 121.20 128.99 1owk s ILE 18 Ca 0.12 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.12 1owk s ILE 18 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1owk s ILE 18 CO 0.13 0.26 0.08 -0.31 0.00 0.00 0.00 174.94 175.10 1owk s TYR 19 N 1.56 2.26 -0.11 3.97 1.51 0.14 -0.94 117.35 125.74 1owk s TYR 19 Ca 0.10 -0.76 -0.06 0.00 -1.01 0.00 0.00 57.07 55.34 1owk s TYR 19 Cb -0.15 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1owk s TYR 19 CO 0.08 0.25 0.27 0.50 -1.11 0.00 0.00 175.55 175.54 1owk s ARG 20 N -3.85 0.23 0.29 -0.62 3.52 -0.81 -0.70 118.95 117.01 1owk s ARG 20 Ca 0.27 0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 56.14 1owk s ARG 20 Cb 0.05 -0.09 -0.09 0.00 -1.56 0.00 0.00 34.95 33.25 1owk s ARG 20 CO 0.14 -0.16 0.95 1.03 -0.81 0.00 0.00 175.30 176.46 1owk s ARG 21 N 1.22 4.70 0.21 5.12 0.52 -0.60 -2.72 118.95 127.40 1owk s ARG 21 Ca -0.09 1.43 0.08 0.00 -0.52 0.00 0.00 55.73 56.63 1owk s ARG 21 Cb -0.10 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1owk s ARG 21 CO -0.09 0.38 0.01 -1.01 0.02 0.00 0.00 175.30 174.61 1owk s HIS 22 N -1.40 2.81 0.43 -0.53 3.76 0.00 -4.95 115.29 115.41 1owk s HIS 22 Ca 0.46 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.96 1owk s HIS 22 Cb -0.23 -1.32 -0.09 0.00 1.11 0.00 0.00 32.58 32.05 1owk s HIS 22 CO 0.28 0.55 1.20 0.54 -0.85 0.00 0.00 174.74 176.46 1owk n ARG 23 N -0.43 1.72 0.00 1.40 3.00 -1.26 -1.00 116.66 120.09 1owk n ARG 23 Ca -0.09 0.62 0.00 0.00 -0.01 0.00 0.00 57.85 58.37 1owk n ARG 23 Cb 0.57 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.73 1owk n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1owk n GLY 23 N 0.92 2.71 0.00 -0.13 0.00 -1.26 -4.46 105.19 102.97 1owk n GLY 23 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1owk n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1owk n GLY 24 N 0.00 0.84 3.77 -0.02 0.00 -0.17 -5.14 105.19 104.47 1owk n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1owk n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1owk s SER 25 N -0.38 5.36 -0.14 1.61 1.04 -1.26 -4.71 113.70 115.22 1owk s SER 25 Ca 0.00 2.08 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 1owk s SER 25 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1owk s SER 25 CO 0.00 -1.46 -0.03 -0.69 0.98 0.00 0.00 173.24 172.03 1owk s VAL 26 N -2.08 0.86 0.27 5.02 1.01 -1.26 -0.82 120.40 123.40 1owk s VAL 26 Ca 0.70 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1owk s VAL 26 Cb -0.22 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1owk s VAL 26 CO 0.35 0.15 0.17 0.42 0.00 0.00 0.00 175.10 176.19 1owk s THR 27 N 1.75 4.15 0.42 3.92 -4.23 -1.10 -4.92 115.64 115.62 1owk s THR 27 Ca 0.02 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1owk s THR 27 Cb -0.14 -3.28 -0.11 0.00 1.34 0.00 0.00 72.50 70.31 1owk s THR 27 CO -0.07 -0.33 0.94 -0.47 -0.54 0.00 0.00 174.62 174.14 1owk s TYR 28 N -2.19 3.34 0.00 3.99 6.14 -1.26 -1.92 117.35 125.44 1owk s TYR 28 Ca 0.34 1.60 0.00 0.00 0.64 0.00 0.00 57.07 59.65 1owk s TYR 28 Cb -0.07 -2.84 0.00 0.00 0.42 0.00 0.00 41.96 39.47 1owk s TYR 28 CO 0.24 -0.08 0.00 0.28 0.64 0.00 0.00 175.55 176.63 1owk n VAL 29 N -0.54 0.00 -4.06 3.14 0.31 -0.12 -4.88 118.33 112.18 1owk n VAL 29 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.28 1owk n VAL 29 Cb 0.54 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1owk n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1owk s GLY 31 N -3.13 1.79 0.30 0.00 0.00 -0.69 -1.15 107.32 104.43 1owk s GLY 31 Ca 0.28 -1.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.17 1owk s GLY 31 CO 0.14 -1.18 0.76 -0.32 0.00 0.00 0.00 173.10 172.51 1owk s GLY 32 N -4.61 0.02 -0.03 0.20 0.00 -0.78 -3.93 107.32 98.19 1owk s GLY 32 Ca 0.62 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1owk s GLY 32 CO 0.41 -0.08 -0.13 -0.56 0.00 0.00 0.00 173.10 172.74 1owk s SER 33 N -2.97 1.65 -0.47 1.64 0.01 -0.84 -1.44 113.70 111.28 1owk s SER 33 Ca 0.13 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1owk s SER 33 Cb -0.05 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1owk s SER 33 CO 0.08 0.12 1.24 -0.22 0.41 0.00 0.00 173.24 174.87 1owk s LEU 34 N 0.04 3.59 -0.07 2.44 2.96 -0.65 -1.81 118.68 125.17 1owk s LEU 34 Ca -0.02 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1owk s LEU 34 Cb -0.09 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1owk s LEU 34 CO 0.01 -1.35 0.22 -0.03 -1.32 0.00 0.00 176.35 173.87 1owk h MET 35 N 9.79 -0.17 -4.56 1.98 4.05 -1.46 -2.82 114.93 121.74 1owk h MET 35 Ca -0.25 0.01 -0.24 0.00 -0.28 0.00 0.00 59.70 58.95 1owk h MET 35 Cb 1.07 0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 31.77 1owk h MET 35 CO 1.12 -0.12 -0.59 -1.54 0.23 0.00 0.00 176.91 176.01 1owk s SER 36 N -5.20 0.17 0.54 1.39 1.04 -1.18 -4.61 113.70 105.85 1owk s SER 36 Ca -0.03 -1.38 0.35 0.00 0.48 0.00 0.00 55.95 55.37 1owk s SER 36 Cb 0.00 0.39 1.52 0.00 0.10 0.00 0.00 66.02 68.04 1owk s SER 36 CO 0.08 -0.86 1.83 -0.65 0.98 0.00 0.00 173.24 174.62 1owk h PRO 37 N 2.59 0.01 -0.01 4.02 0.11 -1.94 -1.76 132.00 135.03 1owk h PRO 37 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1owk h PRO 37 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1owk h PRO 37 CO 0.52 0.01 -0.26 0.00 -0.21 0.00 0.00 178.00 178.06 1owk s TRP 39 N -1.83 1.30 -0.02 0.00 0.52 -0.66 -1.67 118.94 116.57 1owk s TRP 39 Ca 0.16 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 56.06 1owk s TRP 39 Cb 0.14 -0.81 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1owk s TRP 39 CO 0.37 0.00 -0.21 0.08 0.02 0.00 0.00 176.95 177.21 1owk s VAL 40 N -0.51 1.68 -0.08 4.03 1.01 -0.65 -1.23 120.40 124.64 1owk s VAL 40 Ca 0.04 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1owk s VAL 40 Cb -0.06 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1owk s VAL 40 CO 0.00 0.47 -0.23 -0.51 0.00 0.00 0.00 175.10 174.84 1owk s ILE 41 N -0.45 2.24 0.00 2.22 2.07 -0.75 -0.41 121.20 126.12 1owk s ILE 41 Ca 0.07 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 1owk s ILE 41 Cb -0.09 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.66 1owk s ILE 41 CO -0.00 0.56 0.00 -0.24 -1.91 0.00 0.00 174.94 173.35 1owk n SER 42 N 3.15 0.20 -4.45 4.50 2.88 0.23 -1.99 113.62 118.14 1owk n SER 42 Ca -0.18 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.05 1owk n SER 42 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 1owk n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1owk s ALA 43 N -1.91 2.58 0.28 -1.46 0.00 -1.26 -1.26 121.76 118.73 1owk s ALA 43 Ca 0.00 -1.18 0.23 0.00 0.00 0.00 0.00 51.96 51.01 1owk s ALA 43 Cb 0.00 -0.74 1.07 0.00 0.00 0.00 0.00 23.12 23.45 1owk s ALA 43 CO 0.00 0.57 1.91 1.15 0.00 0.00 0.00 175.76 179.39 1owk h THR 44 N 3.99 0.69 0.00 0.00 2.02 -1.71 -3.11 112.91 114.80 1owk h THR 44 Ca -0.47 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 65.73 1owk h THR 44 Cb 1.15 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1owk h THR 44 CO 0.48 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.59 1owk n HIS 45 N -3.58 0.00 1.05 3.16 1.44 -1.26 -1.67 115.22 114.36 1owk n HIS 45 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 1owk n HIS 45 Cb 0.37 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.56 1owk n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1owk n PHE 47 N 0.07 0.00 -0.33 0.00 3.72 -1.00 -4.90 117.46 115.02 1owk n PHE 47 Ca 0.11 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.65 1owk n PHE 47 Cb 0.46 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.34 1owk n PHE 47 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1owk h ILE 48 N 0.00 0.58 -0.07 4.37 6.09 -1.55 -1.81 117.51 125.12 1owk h ILE 48 Ca 0.00 -0.20 -0.21 0.00 -1.37 0.00 0.00 64.86 63.08 1owk h ILE 48 Cb 0.00 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 37.23 1owk h ILE 48 CO 0.00 0.11 -0.81 0.44 -3.07 0.00 0.00 178.15 174.81 1owk h ASP 49 N 0.59 0.60 -2.54 2.19 3.32 -1.89 -3.36 116.42 115.32 1owk h ASP 49 Ca 0.59 -0.42 -0.60 0.00 0.02 0.00 0.00 57.03 56.62 1owk h ASP 49 Cb 1.06 -0.18 -0.41 0.00 0.22 0.00 0.00 39.33 40.02 1owk h ASP 49 CO -0.46 1.19 -0.65 -1.22 -1.72 0.00 0.00 179.24 176.38 1owk n TYR 50 N -3.83 2.84 0.22 4.55 4.02 -0.73 -4.97 117.16 119.26 1owk n TYR 50 Ca -0.06 -4.11 0.00 0.00 -0.01 0.00 0.00 57.90 53.72 1owk n TYR 50 Cb 0.76 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1owk n TYR 50 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1owk n PRO 51 N 1.47 0.43 -3.52 -0.72 -0.04 -0.88 -4.79 135.00 126.95 1owk n PRO 51 Ca 0.25 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1owk n PRO 51 Cb 0.40 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1owk n PRO 51 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1owk s LYS 52 N 0.75 2.96 0.50 0.54 1.02 -1.26 -4.95 119.74 119.31 1owk s LYS 52 Ca 0.00 -1.01 0.28 0.00 0.02 0.00 0.00 55.97 55.25 1owk s LYS 52 Cb 0.00 -3.87 1.37 0.00 -0.52 0.00 0.00 37.83 34.81 1owk s LYS 52 CO 0.00 -0.71 1.87 1.57 -0.92 0.00 0.00 175.35 177.17 1owk h LYS 53 N 8.54 0.11 0.00 1.68 2.10 -1.89 -1.45 116.57 125.67 1owk h LYS 53 Ca -0.27 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.36 1owk h LYS 53 Cb 1.12 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1owk h LYS 53 CO 0.70 0.07 -0.08 1.49 -2.00 0.00 0.00 179.45 179.64 1owk h GLU 54 N 0.12 0.00 -0.19 0.07 4.57 -1.92 -3.18 114.58 114.04 1owk h GLU 54 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1owk h GLU 54 Cb 1.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1owk h GLU 54 CO -0.06 0.08 0.00 -0.25 -1.18 0.00 0.00 179.01 177.59 1owk n ASP 55 N -3.51 1.33 -4.67 1.04 8.00 -0.55 -4.93 116.55 113.26 1owk n ASP 55 Ca -0.02 -1.79 -0.25 0.00 0.71 0.00 0.00 54.79 53.44 1owk n ASP 55 Cb 0.21 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 1owk n ASP 55 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1owk s TYR 56 N -1.76 2.80 -0.02 1.24 2.02 -1.20 -1.55 117.35 118.87 1owk s TYR 56 Ca 0.25 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 1owk s TYR 56 Cb 0.13 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1owk s TYR 56 CO 0.19 0.56 -0.04 0.42 -1.57 0.00 0.00 175.55 175.11 1owk s ILE 57 N -2.00 0.42 -0.16 2.71 1.01 0.13 -4.41 121.20 118.90 1owk s ILE 57 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1owk s ILE 57 Cb -0.08 -0.42 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1owk s ILE 57 CO 0.19 0.17 -0.12 -0.69 0.00 0.00 0.00 174.94 174.49 1owk s VAL 58 N 0.49 1.53 -0.04 2.92 1.01 -1.07 0.27 120.40 125.51 1owk s VAL 58 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1owk s VAL 58 Cb -0.09 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1owk s VAL 58 CO -0.00 0.34 0.07 -0.31 0.00 0.00 0.00 175.10 175.20 1owk s TYR 59 N 1.48 3.30 0.01 5.22 1.51 0.06 -1.13 117.35 127.81 1owk s TYR 59 Ca 0.03 0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.39 1owk s TYR 59 Cb -0.14 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1owk s TYR 59 CO -0.10 0.56 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.22 1owk s LEU 60 N -1.47 2.10 -0.73 -1.29 1.43 -1.01 -1.17 118.68 116.54 1owk s LEU 60 Ca 0.20 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1owk s LEU 60 Cb -0.12 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1owk s LEU 60 CO 0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1owk n GLY 61 N 2.27 0.31 3.42 -3.19 0.00 -1.26 -1.58 105.19 105.16 1owk n GLY 61 Ca -0.16 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1owk n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owk s ARG 62 N -3.91 3.58 0.02 1.61 3.52 -1.26 -3.92 118.95 118.59 1owk s ARG 62 Ca 0.00 -0.53 0.22 0.00 -0.13 0.00 0.00 55.73 55.29 1owk s ARG 62 Cb 0.00 -3.15 -0.12 0.00 -1.56 0.00 0.00 34.95 30.11 1owk s ARG 62 CO 0.00 -0.11 0.85 0.43 -0.81 0.00 0.00 175.30 175.66 1owk n SER 63 N 4.61 0.54 -4.16 -2.12 7.64 -1.26 -4.71 113.62 114.16 1owk n SER 63 Ca -0.17 -0.31 -0.14 0.00 1.01 0.00 0.00 58.87 59.26 1owk n SER 63 Cb 0.51 1.16 -0.11 0.00 -1.01 0.00 0.00 64.21 64.76 1owk n SER 63 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1owk s ARG 64 N -3.25 0.79 0.13 1.43 0.52 -1.26 -2.82 118.95 114.49 1owk s ARG 64 Ca 0.01 -1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.97 1owk s ARG 64 Cb 0.14 -0.50 -0.01 0.00 0.52 0.00 0.00 34.95 35.10 1owk s ARG 64 CO 0.85 0.08 1.71 1.25 0.02 0.00 0.00 175.30 179.20 1owk h LEU 65 N 3.73 0.49 -4.12 2.53 5.85 -1.75 -3.29 115.31 118.75 1owk h LEU 65 Ca -0.37 -0.13 -0.58 0.00 0.84 0.00 0.00 57.88 57.64 1owk h LEU 65 Cb 1.19 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.68 1owk h LEU 65 CO 0.51 0.48 -0.64 0.59 -0.34 0.00 0.00 178.44 179.04 1owk n ASN 66 N -4.72 5.06 -3.80 1.25 4.13 -1.26 -5.00 115.26 110.93 1owk n ASN 66 Ca -0.01 -3.74 -0.13 0.00 1.68 0.00 0.00 54.58 52.39 1owk n ASN 66 Cb 0.11 -0.44 -0.11 0.00 -1.54 0.00 0.00 39.78 37.80 1owk n ASN 66 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1owk s SER 67 N -3.41 -0.20 -0.97 6.41 0.01 -1.24 -5.09 113.70 109.21 1owk s SER 67 Ca 0.50 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.95 1owk s SER 67 Cb 0.41 0.43 0.24 0.00 0.21 0.00 0.00 66.02 67.31 1owk s SER 67 CO -0.07 -0.21 0.94 0.20 0.41 0.00 0.00 173.24 174.51 1owk s ASN 68 N -0.42 7.03 0.36 2.44 -0.87 -1.26 -4.45 114.94 117.76 1owk s ASN 68 Ca -0.05 -3.10 -0.27 0.00 -1.57 0.00 0.00 52.86 47.87 1owk s ASN 68 Cb -0.04 -2.22 -0.12 0.00 -0.02 0.00 0.00 41.25 38.86 1owk s ASN 68 CO 0.01 -0.45 1.11 0.41 -2.57 0.00 0.00 177.10 175.62 1owk n THR 69 N 3.42 2.18 -1.61 1.60 -1.04 -1.26 -4.87 114.28 112.70 1owk n THR 69 Ca 0.19 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.05 61.19 1owk n THR 69 Cb 0.43 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 1owk n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1owk n GLN 70 N 0.43 1.35 -0.97 -2.82 -0.00 -1.26 -2.51 117.38 111.61 1owk n GLN 70 Ca 0.08 0.49 0.00 0.00 -0.00 0.00 0.00 57.00 57.56 1owk n GLN 70 Cb 0.36 -2.16 0.00 0.00 -0.00 0.00 0.00 30.24 28.44 1owk n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1owk n GLY 71 N 2.71 0.46 3.90 2.61 0.00 -1.26 -4.96 105.19 108.64 1owk n GLY 71 Ca 0.18 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1owk n GLY 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1owk s GLU 72 N -1.05 2.32 -0.03 1.61 -1.05 -1.04 -4.81 118.70 114.65 1owk s GLU 72 Ca 0.00 0.14 0.01 0.00 -0.15 0.00 0.00 54.97 54.97 1owk s GLU 72 Cb 0.00 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.68 1owk s GLU 72 CO 0.00 -1.31 -0.01 -1.64 0.95 0.00 0.00 175.26 173.25 1owk s MET 73 N -5.42 0.37 -0.14 -4.83 -1.94 -0.61 -5.00 119.30 101.73 1owk s MET 73 Ca 0.60 0.03 -0.14 0.00 -1.71 0.00 0.00 55.69 54.47 1owk s MET 73 Cb -0.11 -0.51 -0.05 0.00 2.01 0.00 0.00 34.83 36.18 1owk s MET 73 CO 0.49 -0.11 0.31 0.21 -0.01 0.00 0.00 175.02 175.91 1owk s LYS 74 N 0.89 4.18 0.37 2.03 2.20 -1.26 -2.41 119.74 125.74 1owk s LYS 74 Ca -0.09 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1owk s LYS 74 Cb -0.13 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1owk s LYS 74 CO -0.01 0.31 0.05 -0.06 -0.36 0.00 0.00 175.35 175.28 1owk s PHE 75 N 0.22 2.05 0.11 4.03 0.40 -0.28 -4.72 117.98 119.79 1owk s PHE 75 Ca 0.18 -0.94 0.05 0.00 -0.60 0.00 0.00 56.93 55.62 1owk s PHE 75 Cb -0.13 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1owk s PHE 75 CO 0.05 0.08 -0.12 -1.21 0.70 0.00 0.00 175.22 174.72 1owk s GLU 76 N -3.83 0.91 -0.66 0.44 2.02 -0.27 -2.59 118.70 114.72 1owk s GLU 76 Ca 0.32 -1.18 -0.23 0.00 0.02 0.00 0.00 54.97 53.91 1owk s GLU 76 Cb 0.08 -0.68 0.07 0.00 0.10 0.00 0.00 34.13 33.69 1owk s GLU 76 CO 0.15 0.12 0.97 0.08 0.02 0.00 0.00 175.26 176.60 1owk s VAL 77 N -2.28 4.31 0.24 2.63 1.01 -1.26 -0.16 120.40 124.89 1owk s VAL 77 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1owk s VAL 77 Cb -0.04 -4.69 0.07 0.00 0.00 0.00 0.00 36.38 31.72 1owk s VAL 77 CO 0.01 -1.46 1.69 -0.08 0.00 0.00 0.00 175.10 175.26 1owk h GLU 78 N 9.57 0.75 -2.73 2.72 4.81 -0.40 -3.43 114.58 125.87 1owk h GLU 78 Ca -0.29 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.53 1owk h GLU 78 Cb 1.07 -0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.11 1owk h GLU 78 CO 1.18 0.85 -0.41 1.21 -0.73 0.00 0.00 179.01 181.12 1owk s ASN 79 N -6.72 -0.18 -0.35 1.04 3.84 -0.98 -4.98 114.94 106.60 1owk s ASN 79 Ca -0.09 0.78 -0.04 0.00 0.21 0.00 0.00 52.86 53.72 1owk s ASN 79 Cb 0.14 0.84 0.07 0.00 -0.55 0.00 0.00 41.25 41.75 1owk s ASN 79 CO 0.82 -0.21 0.11 -0.22 -2.79 0.00 0.00 177.10 174.82 1owk s LEU 80 N 1.96 4.52 -0.21 3.21 2.96 -1.26 -0.27 118.68 129.59 1owk s LEU 80 Ca -0.05 -1.46 -0.06 0.00 -0.22 0.00 0.00 54.13 52.34 1owk s LEU 80 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1owk s LEU 80 CO -0.11 -0.39 0.04 -0.63 -1.32 0.00 0.00 176.35 173.94 1owk s ILE 81 N 1.29 4.27 -0.01 6.68 1.01 0.33 -4.99 121.20 129.78 1owk s ILE 81 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1owk s ILE 81 Cb -0.21 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1owk s ILE 81 CO -0.00 0.41 -0.09 -0.76 0.00 0.00 0.00 174.94 174.50 1owk s LEU 82 N 1.01 3.06 0.17 2.97 1.43 -1.26 -1.50 118.68 124.57 1owk s LEU 82 Ca 0.03 -0.16 -0.33 0.00 -1.03 0.00 0.00 54.13 52.64 1owk s LEU 82 Cb -0.14 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.22 1owk s LEU 82 CO 0.02 0.30 1.68 1.57 0.23 0.00 0.00 176.35 180.16 1owk n HIS 83 N 1.75 2.55 0.99 0.29 -0.00 -1.23 -4.85 115.22 114.71 1owk n HIS 83 Ca -0.16 0.11 0.04 0.00 -0.00 0.00 0.00 57.72 57.71 1owk n HIS 83 Cb 0.53 -2.63 0.25 0.00 -0.00 0.00 0.00 29.99 28.14 1owk n HIS 83 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1owk n LYS 84 N 3.99 0.50 -0.55 1.57 0.00 -1.26 -3.42 118.16 118.99 1owk n LYS 84 Ca 0.17 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.53 1owk n LYS 84 Cb 0.33 -1.27 0.08 0.00 -0.00 0.00 0.00 35.03 34.17 1owk n LYS 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1owk n ASP 85 N -0.77 1.20 -4.77 -5.58 9.92 -1.26 -5.10 116.55 110.19 1owk n ASP 85 Ca 0.06 -2.65 -0.41 0.00 -0.53 0.00 0.00 54.79 51.26 1owk n ASP 85 Cb 0.03 -0.34 -0.02 0.00 -0.64 0.00 0.00 41.12 40.15 1owk n ASP 85 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1owk s TYR 86 N -1.44 2.90 0.02 1.24 6.14 -1.22 -4.77 117.35 120.22 1owk s TYR 86 Ca 0.22 1.30 -0.15 0.00 0.64 0.00 0.00 57.07 59.09 1owk s TYR 86 Cb 0.22 -3.80 0.02 0.00 0.42 0.00 0.00 41.96 38.82 1owk s TYR 86 CO -0.03 -2.29 0.31 -1.54 0.64 0.00 0.00 175.55 172.64 1owk s SER 87 N -0.29 -0.16 -0.17 4.32 1.04 -1.22 -5.02 113.70 112.19 1owk s SER 87 Ca 0.51 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 1owk s SER 87 Cb -0.42 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.08 1owk s SER 87 CO 0.55 -0.55 -0.07 0.00 0.98 0.00 0.00 173.24 174.15 1owk s ALA 88 N -2.02 1.63 0.37 5.32 0.00 -1.26 -1.32 121.76 124.48 1owk s ALA 88 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1owk s ALA 88 Cb -0.03 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.96 1owk s ALA 88 CO 0.00 -0.76 0.18 -0.25 0.00 0.00 0.00 175.76 174.93 1owk n ASP 89 N 4.82 0.28 -0.34 0.00 10.43 -0.46 -4.96 116.55 126.31 1owk n ASP 89 Ca -0.13 -1.23 0.22 0.00 2.57 0.00 0.00 54.79 56.23 1owk n ASP 89 Cb 0.48 -0.11 0.46 0.00 1.84 0.00 0.00 41.12 43.78 1owk n ASP 89 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1owk h THR 90 N -0.32 0.38 0.00 -3.53 2.02 -2.04 -3.39 112.91 106.02 1owk h THR 90 Ca -0.06 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1owk h THR 90 Cb 0.23 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1owk h THR 90 CO 0.07 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.21 1owk n LEU 91 N -4.96 0.05 -4.64 2.58 4.77 -1.26 -5.10 117.00 108.45 1owk n LEU 91 Ca 0.30 0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.88 1owk n LEU 91 Cb 0.93 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 1owk n LEU 91 CO 0.13 -0.54 0.81 0.00 -1.33 0.00 0.00 177.39 176.47 1owk n ALA 92 N -2.63 0.41 -3.78 -1.18 0.00 -1.26 -4.80 120.51 107.26 1owk n ALA 92 Ca 0.00 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1owk n ALA 92 Cb 0.00 -2.15 -0.16 0.00 0.00 0.00 0.00 19.45 17.14 1owk n ALA 92 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1owk s HIS 93 N -0.55 2.76 0.02 0.00 3.76 -1.26 -1.36 115.29 118.66 1owk s HIS 93 Ca 0.64 -1.37 -0.07 0.00 -0.15 0.00 0.00 55.06 54.11 1owk s HIS 93 Cb -0.69 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 1owk s HIS 93 CO 0.55 -0.66 0.30 -1.01 -0.85 0.00 0.00 174.74 173.08 1owk s HIS 94 N 1.05 3.58 -1.26 1.40 3.76 -0.44 -4.43 115.29 118.95 1owk s HIS 94 Ca -0.01 0.62 -0.21 0.00 -0.15 0.00 0.00 55.06 55.31 1owk s HIS 94 Cb -0.14 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.53 1owk s HIS 94 CO -0.06 0.59 0.60 0.09 -0.85 0.00 0.00 174.74 175.12 1owk n ASN 95 N 1.08 -3.37 -3.78 1.40 3.02 -1.26 -3.39 115.26 108.96 1owk n ASN 95 Ca -0.11 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.86 1owk n ASN 95 Cb 0.53 -2.42 0.01 0.00 -0.61 0.00 0.00 39.78 37.29 1owk n ASN 95 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1owk n ASP 96 N -2.53 6.94 -4.03 6.41 4.64 -1.26 -4.46 116.55 122.25 1owk n ASP 96 Ca -0.16 -3.51 -0.16 0.00 -1.38 0.00 0.00 54.79 49.58 1owk n ASP 96 Cb 0.61 -1.24 -0.13 0.00 -1.04 0.00 0.00 41.12 39.31 1owk n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1owk s ILE 97 N -3.25 0.63 -0.01 5.18 2.07 -1.26 -4.07 121.20 120.49 1owk s ILE 97 Ca 0.37 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.85 1owk s ILE 97 Cb 0.13 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1owk s ILE 97 CO -0.03 -0.04 0.22 0.00 -1.91 0.00 0.00 174.94 173.19 1owk s ALA 98 N -0.65 -0.55 -0.15 1.50 0.00 -0.39 -3.55 121.76 117.98 1owk s ALA 98 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1owk s ALA 98 Cb -0.06 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1owk s ALA 98 CO 0.00 -0.23 -0.19 -0.51 0.00 0.00 0.00 175.76 174.83 1owk s LEU 99 N -1.30 2.25 -0.33 0.00 1.43 -0.56 -0.60 118.68 119.56 1owk s LEU 99 Ca -0.14 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1owk s LEU 99 Cb -0.06 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.75 1owk s LEU 99 CO 0.03 0.07 0.04 -0.76 0.23 0.00 0.00 176.35 175.96 1owk s LEU 100 N 0.87 4.47 -0.60 1.79 1.02 0.46 -0.51 118.68 126.17 1owk s LEU 100 Ca -0.05 -1.85 -0.28 0.00 0.02 0.00 0.00 54.13 51.97 1owk s LEU 100 Cb -0.15 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1owk s LEU 100 CO -0.02 -0.36 1.32 -0.75 0.02 0.00 0.00 176.35 176.56 1owk s LYS 101 N 1.04 3.33 0.63 1.70 2.20 0.62 -1.64 119.74 127.62 1owk s LYS 101 Ca 0.04 0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.79 1owk s LYS 101 Cb -0.20 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 1owk s LYS 101 CO -0.06 -1.91 1.03 0.96 -0.36 0.00 0.00 175.35 175.01 1owk s ILE 102 N 5.70 4.63 -0.28 5.43 -4.36 -0.67 0.34 121.20 131.98 1owk s ILE 102 Ca 0.46 0.86 -0.19 0.00 -0.26 0.00 0.00 60.65 61.52 1owk s ILE 102 Cb -0.09 -3.81 0.12 0.00 1.25 0.00 0.00 42.46 39.93 1owk s ILE 102 CO 0.23 -1.11 0.92 -0.60 0.24 0.00 0.00 174.94 174.63 1owk s ARG 103 N -5.14 0.49 0.65 0.37 3.52 0.78 -4.70 118.95 114.93 1owk s ARG 103 Ca 0.55 0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 56.83 1owk s ARG 103 Cb -0.11 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1owk s ARG 103 CO 0.54 -0.09 1.01 -1.54 -0.81 0.00 0.00 175.30 174.40 1owk s SER 104 N 1.06 5.48 0.53 -2.12 1.04 -0.55 -1.12 113.70 118.02 1owk s SER 104 Ca -0.06 0.91 0.25 0.00 0.48 0.00 0.00 55.95 57.54 1owk s SER 104 Cb -0.04 -1.79 1.38 0.00 0.10 0.00 0.00 66.02 65.67 1owk s SER 104 CO -0.13 -1.23 1.99 0.11 0.98 0.00 0.00 173.24 174.96 1owk h LYS 105 N -0.44 0.02 -0.00 4.02 1.57 -1.90 0.29 116.57 120.13 1owk h LYS 105 Ca -0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1owk h LYS 105 Cb 1.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1owk h LYS 105 CO 0.62 0.01 -0.07 0.39 -0.57 0.00 0.00 179.45 179.83 1owk n GLU 106 N -4.38 0.04 -0.10 3.15 4.71 -1.26 -4.93 120.64 117.87 1owk n GLU 106 Ca 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1owk n GLU 106 Cb 0.61 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 1owk n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1owk n GLY 107 N 1.48 0.70 3.94 0.62 0.00 0.10 -5.10 105.19 106.94 1owk n GLY 107 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1owk n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1owk s ARG 108 N -0.90 3.35 0.00 1.61 0.52 -1.26 -4.74 118.95 117.53 1owk s ARG 108 Ca 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1owk s ARG 108 Cb 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1owk s ARG 108 CO 0.00 0.45 0.00 0.00 0.02 0.00 0.00 175.30 175.77 1owk s ALA 110 N -3.34 2.50 -0.32 0.00 0.00 0.19 -4.87 121.76 115.93 1owk s ALA 110 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1owk s ALA 110 Cb 0.00 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1owk s ALA 110 CO 0.00 -1.21 0.01 -1.14 0.00 0.00 0.00 175.76 173.42 1owk s GLN 111 N -3.55 1.73 0.36 0.00 2.00 -1.26 -4.82 119.66 114.12 1owk s GLN 111 Ca 0.74 -1.72 -0.25 0.00 -2.00 0.00 0.00 55.36 52.13 1owk s GLN 111 Cb -0.27 -3.13 -0.13 0.00 0.80 0.00 0.00 33.01 30.29 1owk s GLN 111 CO 0.35 -0.83 0.82 -2.30 -0.50 0.00 0.00 175.29 172.82 1owk n PRO 112 N 4.32 0.98 -0.61 1.67 -0.02 -1.26 -4.87 135.00 135.21 1owk n PRO 112 Ca -0.02 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1owk n PRO 112 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1owk n PRO 112 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1owk n SER 113 N 1.09 0.00 0.21 2.55 3.41 -0.77 -4.95 113.62 115.16 1owk n SER 113 Ca 0.11 -0.50 0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1owk n SER 113 Cb 0.36 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.83 1owk n SER 113 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1owk h ARG 114 N 0.00 0.00 -0.02 4.33 2.43 -1.99 -3.20 114.38 115.94 1owk h ARG 114 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1owk h ARG 114 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1owk h ARG 114 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 1owk n THR 115 N -2.79 0.08 -3.68 0.20 -2.24 -1.26 -4.86 114.28 99.73 1owk n THR 115 Ca 0.02 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 1owk n THR 115 Cb 0.34 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.46 1owk n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1owk s ILE 116 N -0.41 0.70 0.46 2.28 1.01 -1.21 -4.02 121.20 120.01 1owk s ILE 116 Ca 0.05 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.32 1owk s ILE 116 Cb 0.04 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1owk s ILE 116 CO 0.05 -0.73 0.10 -1.10 0.00 0.00 0.00 174.94 173.26 1owk s GLN 117 N 1.55 2.07 0.09 2.79 -1.52 -0.83 -1.85 119.66 121.95 1owk s GLN 117 Ca 0.11 -2.30 0.07 0.00 -1.95 0.00 0.00 55.36 51.29 1owk s GLN 117 Cb -0.18 -0.88 -0.03 0.00 -0.22 0.00 0.00 33.01 31.70 1owk s GLN 117 CO -0.23 -0.49 -0.19 0.95 -0.25 0.00 0.00 175.29 175.08 1owk s THR 118 N -3.08 1.50 0.18 -0.19 -4.23 -1.26 -3.37 115.64 105.19 1owk s THR 118 Ca 0.15 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1owk s THR 118 Cb 0.01 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1owk s THR 118 CO 0.10 -0.10 0.20 0.27 -0.54 0.00 0.00 174.62 174.56 1owk s ILE 119 N -1.17 4.76 0.18 2.99 -5.25 -1.06 -4.96 121.20 116.69 1owk s ILE 119 Ca 0.04 -1.03 -0.27 0.00 -0.99 0.00 0.00 60.65 58.40 1owk s ILE 119 Cb -0.10 -3.48 -0.08 0.00 2.95 0.00 0.00 42.46 41.75 1owk s ILE 119 CO 0.03 -0.17 0.84 0.00 -1.79 0.00 0.00 174.94 173.86 1owk s LEU 121 N -1.06 3.82 0.92 0.00 2.01 -1.26 -1.58 118.68 121.53 1owk s LEU 121 Ca 0.38 1.95 -0.12 0.00 0.01 0.00 0.00 54.13 56.35 1owk s LEU 121 Cb -0.24 -4.56 0.14 0.00 0.01 0.00 0.00 46.19 41.54 1owk s LEU 121 CO 0.28 -0.85 1.10 -2.16 1.01 0.00 0.00 176.35 175.73 1owk s PRO 122 N -3.28 1.08 0.15 1.29 0.04 -1.25 -4.84 135.00 128.18 1owk s PRO 122 Ca 0.68 0.65 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1owk s PRO 122 Cb -0.17 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1owk s PRO 122 CO 0.22 -2.32 -0.01 -1.54 0.04 0.00 0.00 177.00 173.39 1owk s SER 123 N -3.55 4.79 -0.38 6.66 1.04 -1.26 -4.81 113.70 116.19 1owk s SER 123 Ca 0.64 -0.35 -0.36 0.00 0.48 0.00 0.00 55.95 56.36 1owk s SER 123 Cb -0.17 -1.04 -0.15 0.00 0.10 0.00 0.00 66.02 64.76 1owk s SER 123 CO 0.56 0.11 1.31 0.23 0.98 0.00 0.00 173.24 176.44 1owk n MET 124 N 0.09 0.00 -1.81 4.02 2.81 -1.26 -1.61 117.12 119.36 1owk n MET 124 Ca -0.10 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.58 1owk n MET 124 Cb 0.54 -1.15 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 1owk n MET 124 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1owk n TYR 125 N 3.61 -0.26 -3.92 2.03 4.02 -1.26 -4.95 117.16 116.44 1owk n TYR 125 Ca 0.28 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.87 1owk n TYR 125 Cb -0.04 -3.57 -0.13 0.00 -0.02 0.00 0.00 39.34 35.58 1owk n TYR 125 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1owk s ASN 126 N -2.60 4.63 -0.09 7.72 3.84 -0.63 -5.07 114.94 122.74 1owk s ASN 126 Ca 0.00 -3.48 0.01 0.00 0.21 0.00 0.00 52.86 49.60 1owk s ASN 126 Cb 0.00 -1.65 -0.03 0.00 -0.55 0.00 0.00 41.25 39.03 1owk s ASN 126 CO 0.00 -0.15 -0.09 -1.81 -2.79 0.00 0.00 177.10 172.26 1owk s ASP 127 N -0.91 4.42 0.32 -4.21 -0.00 -1.26 -4.55 116.67 110.47 1owk s ASP 127 Ca 0.21 -0.13 -0.29 0.00 -0.00 0.00 0.00 52.55 52.34 1owk s ASP 127 Cb -0.14 -1.26 -0.12 0.00 -0.00 0.00 0.00 42.92 41.39 1owk s ASP 127 CO -0.09 0.30 1.40 -0.81 -0.00 0.00 0.00 175.17 175.96 1owk n PRO 128 N 2.67 2.30 -0.55 8.23 -0.04 -1.26 -4.95 135.00 141.39 1owk n PRO 128 Ca -0.18 0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 63.80 1owk n PRO 128 Cb 0.53 -2.46 0.21 0.00 -0.04 0.00 0.00 33.50 31.73 1owk n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1owk n GLN 129 N 1.10 -2.29 -2.59 0.54 10.64 -1.26 -4.93 117.38 118.59 1owk n GLN 129 Ca 0.06 -0.66 -0.34 0.00 -1.83 0.00 0.00 57.00 54.24 1owk n GLN 129 Cb 0.36 -1.84 -0.04 0.00 -0.86 0.00 0.00 30.24 27.85 1owk n GLN 129 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1owk s PHE 130 N -2.26 3.07 0.00 2.61 -0.12 -1.26 -3.65 117.98 116.36 1owk s PHE 130 Ca 0.59 1.58 0.00 0.00 -0.05 0.00 0.00 56.93 59.06 1owk s PHE 130 Cb -0.16 -3.02 0.00 0.00 -0.63 0.00 0.00 43.02 39.22 1owk s PHE 130 CO 0.63 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 175.53 1owk n GLY 131 N -0.37 0.76 3.77 1.99 0.00 0.28 -4.95 105.19 106.68 1owk n GLY 131 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1owk n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1owk s THR 132 N -2.17 4.54 0.09 2.61 2.01 -1.24 -4.65 115.64 116.82 1owk s THR 132 Ca 0.00 1.61 -0.26 0.00 0.31 0.00 0.00 61.69 63.35 1owk s THR 132 Cb 0.00 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 1owk s THR 132 CO 0.00 0.48 0.80 -0.44 -0.69 0.00 0.00 174.62 174.76 1owk s SER 133 N -0.79 7.30 0.11 3.53 0.01 -1.26 -0.90 113.70 121.71 1owk s SER 133 Ca 0.36 1.55 -0.07 0.00 1.31 0.00 0.00 55.95 59.09 1owk s SER 133 Cb -0.22 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1owk s SER 133 CO 0.24 0.06 0.19 0.00 0.41 0.00 0.00 173.24 174.13 1owk s GLU 135 N -3.92 2.68 0.06 0.00 -1.05 -0.79 -1.12 118.70 114.57 1owk s GLU 135 Ca 0.11 -0.97 0.04 0.00 -0.15 0.00 0.00 54.97 54.00 1owk s GLU 135 Cb 0.05 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.19 1owk s GLU 135 CO -0.06 0.47 -0.12 0.96 0.95 0.00 0.00 175.26 177.47 1owk s ILE 136 N -1.73 0.90 0.00 1.83 -4.36 -0.49 -1.01 121.20 116.34 1owk s ILE 136 Ca 0.29 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.43 1owk s ILE 136 Cb -0.10 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.68 1owk s ILE 136 CO 0.21 -0.30 0.01 -0.89 0.24 0.00 0.00 174.94 174.21 1owk s THR 137 N -1.38 0.04 -0.20 8.37 2.01 -1.22 -2.71 115.64 120.56 1owk s THR 137 Ca -0.04 -0.33 -0.36 0.00 0.31 0.00 0.00 61.69 61.27 1owk s THR 137 Cb -0.10 -0.13 0.15 0.00 0.01 0.00 0.00 72.50 72.44 1owk s THR 137 CO 0.01 -0.18 1.41 -0.83 -0.69 0.00 0.00 174.62 174.34 1owk s GLY 138 N -0.53 -0.34 -0.43 4.40 0.00 -1.14 -4.49 107.32 104.79 1owk s GLY 138 Ca -0.06 1.46 0.03 0.00 0.00 0.00 0.00 44.72 46.15 1owk s GLY 138 CO -0.00 0.42 1.85 0.69 0.00 0.00 0.00 173.10 176.06 1owk n PHE 139 N -0.24 2.79 -2.11 1.90 3.72 -1.26 -3.10 117.46 119.16 1owk n PHE 139 Ca -0.02 -1.84 -0.27 0.00 -0.05 0.00 0.00 57.45 55.27 1owk n PHE 139 Cb 0.60 -0.94 0.07 0.00 -0.94 0.00 0.00 39.48 38.27 1owk n PHE 139 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1owk s GLY 140 N -1.12 1.65 0.52 1.37 0.00 -1.26 -4.19 107.32 104.29 1owk s GLY 140 Ca 0.52 -0.77 -0.19 0.00 0.00 0.00 0.00 44.72 44.28 1owk s GLY 140 CO 0.09 -0.36 0.28 0.28 0.00 0.00 0.00 173.10 173.38 1owk n LYS 141 N -3.00 0.31 0.00 2.90 5.02 -0.94 -1.51 118.16 120.94 1owk n LYS 141 Ca 0.07 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 1owk n LYS 141 Cb 0.60 -1.40 0.06 0.00 -0.02 0.00 0.00 35.03 34.27 1owk n LYS 141 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1owk n GLU 142 N 0.64 1.39 -3.52 1.97 1.02 -1.24 -1.24 120.64 119.65 1owk n GLU 142 Ca 0.10 -1.39 -0.16 0.00 -0.02 0.00 0.00 57.16 55.69 1owk n GLU 142 Cb 0.46 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1owk n GLU 142 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1owk s ASN 143 N -1.47 -0.60 0.45 1.62 0.02 -1.26 -4.38 114.94 109.31 1owk s ASN 143 Ca 0.19 0.50 0.26 0.00 -1.02 0.00 0.00 52.86 52.78 1owk s ASN 143 Cb 0.14 0.54 0.64 0.00 0.02 0.00 0.00 41.25 42.59 1owk s ASN 143 CO 0.24 -0.68 1.72 0.28 0.02 0.00 0.00 177.10 178.67 1owk h SER 144 N 2.83 0.00 -0.06 -1.22 0.02 -1.92 -3.22 113.55 109.97 1owk h SER 144 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1owk h SER 144 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1owk h SER 144 CO 0.39 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.43 1owk n THR 145 N -3.02 0.06 -3.19 -2.27 -2.24 -1.26 -4.92 114.28 97.44 1owk n THR 145 Ca 0.03 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 1owk n THR 145 Cb 0.46 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1owk n THR 145 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1owk s ASP 146 N -1.91 6.65 -0.01 3.42 -0.00 -1.22 -4.99 116.67 118.62 1owk s ASP 146 Ca 0.35 1.09 0.11 0.00 -0.00 0.00 0.00 52.55 54.10 1owk s ASP 146 Cb 0.20 -2.30 -0.14 0.00 -0.00 0.00 0.00 42.92 40.69 1owk s ASP 146 CO 0.32 -0.20 0.38 0.00 -0.00 0.00 0.00 175.17 175.67 1owk n TYR 147 N -0.51 0.00 -4.07 4.23 4.11 -1.26 -4.99 117.16 114.68 1owk n TYR 147 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.61 1owk n TYR 147 Cb 0.53 -0.10 -0.07 0.00 -0.00 0.00 0.00 39.34 39.71 1owk n TYR 147 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1owk s LEU 148 N -2.99 3.76 0.31 -3.48 1.43 -1.26 -5.12 118.68 111.33 1owk s LEU 148 Ca 0.01 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1owk s LEU 148 Cb 0.08 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1owk s LEU 148 CO 0.45 0.18 0.56 -0.31 0.23 0.00 0.00 176.35 177.46 1owk s TYR 149 N -1.36 3.49 0.18 0.29 4.12 -1.26 -4.79 117.35 118.02 1owk s TYR 149 Ca 0.28 0.54 -0.31 0.00 0.02 0.00 0.00 57.07 57.60 1owk s TYR 149 Cb -0.12 -2.03 -0.09 0.00 -1.52 0.00 0.00 41.96 38.20 1owk s TYR 149 CO 0.21 0.14 1.39 -1.25 0.02 0.00 0.00 175.55 176.06 1owk s PRO 150 N -3.87 4.32 0.04 -1.71 0.04 -1.26 -4.88 135.00 127.69 1owk s PRO 150 Ca 0.42 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.69 1owk s PRO 150 Cb -0.10 -3.18 0.36 0.00 0.04 0.00 0.00 34.50 31.61 1owk s PRO 150 CO 0.33 -0.38 1.25 -1.91 0.04 0.00 0.00 177.00 176.33 1owk n GLU 151 N 3.06 0.02 -4.49 4.56 4.07 -1.26 -4.64 120.64 121.96 1owk n GLU 151 Ca 0.09 0.43 -0.23 0.00 -0.06 0.00 0.00 57.16 57.39 1owk n GLU 151 Cb 0.42 -1.56 -0.14 0.00 -0.06 0.00 0.00 31.44 30.10 1owk n GLU 151 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1owk s GLN 152 N -3.07 1.15 0.43 5.31 0.74 -1.26 -2.38 119.66 120.57 1owk s GLN 152 Ca 0.02 -0.84 -0.26 0.00 0.05 0.00 0.00 55.36 54.33 1owk s GLN 152 Cb 0.04 -1.21 -0.08 0.00 1.10 0.00 0.00 33.01 32.86 1owk s GLN 152 CO 0.12 0.30 1.36 -1.17 -0.55 0.00 0.00 175.29 175.36 1owk s LEU 153 N -1.16 4.17 0.25 3.68 2.96 -1.13 -4.91 118.68 122.54 1owk s LEU 153 Ca 0.04 2.78 0.07 0.00 -0.22 0.00 0.00 54.13 56.81 1owk s LEU 153 Cb -0.08 -3.92 -0.05 0.00 0.50 0.00 0.00 46.19 42.64 1owk s LEU 153 CO 0.02 -1.00 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.40 1owk s LYS 154 N -2.34 1.48 0.08 1.98 1.02 -1.18 -1.33 119.74 119.45 1owk s LYS 154 Ca 0.59 -1.71 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 1owk s LYS 154 Cb -0.41 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1owk s LYS 154 CO 0.52 0.11 0.28 0.00 -0.92 0.00 0.00 175.35 175.34 1owk s MET 155 N -3.68 0.88 0.19 1.68 0.23 0.24 -2.89 119.30 115.95 1owk s MET 155 Ca 0.27 -0.73 -0.23 0.00 -1.03 0.00 0.00 55.69 53.97 1owk s MET 155 Cb 0.02 0.37 0.05 0.00 -1.53 0.00 0.00 34.83 33.74 1owk s MET 155 CO 0.10 -0.30 0.69 -0.08 -2.03 0.00 0.00 175.02 173.41 1owk s THR 156 N -3.35 0.00 0.01 3.16 -1.32 -1.10 -0.49 115.64 112.56 1owk s THR 156 Ca 0.01 -0.44 0.06 0.00 -1.21 0.00 0.00 61.69 60.11 1owk s THR 156 Cb 0.02 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 1owk s THR 156 CO -0.08 0.00 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.47 1owk s VAL 157 N -3.74 2.89 0.25 5.08 1.01 -1.26 -1.40 120.40 123.23 1owk s VAL 157 Ca 0.06 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1owk s VAL 157 Cb -0.03 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1owk s VAL 157 CO -0.04 0.41 0.15 0.68 0.00 0.00 0.00 175.10 176.30 1owk s VAL 158 N -0.87 0.16 -0.08 2.92 -7.23 -0.27 -4.81 120.40 110.22 1owk s VAL 158 Ca 0.14 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1owk s VAL 158 Cb -0.11 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1owk s VAL 158 CO 0.04 0.00 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.13 1owk s LYS 159 N -3.98 2.80 0.13 4.82 -0.14 -0.86 -1.28 119.74 121.22 1owk s LYS 159 Ca 0.38 -0.74 -0.31 0.00 -1.36 0.00 0.00 55.97 53.94 1owk s LYS 159 Cb 0.06 -2.41 -0.08 0.00 -1.68 0.00 0.00 37.83 33.72 1owk s LYS 159 CO 0.15 0.44 1.43 -0.51 -0.76 0.00 0.00 175.35 176.11 1owk s LEU 160 N -0.25 4.37 -0.15 3.17 1.43 -0.08 -1.43 118.68 125.74 1owk s LEU 160 Ca 0.01 2.40 -0.07 0.00 -1.03 0.00 0.00 54.13 55.43 1owk s LEU 160 Cb -0.13 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1owk s LEU 160 CO 0.03 -0.70 0.11 -0.63 0.23 0.00 0.00 176.35 175.40 1owk s ILE 161 N 1.10 5.26 1.17 -0.59 1.01 0.81 0.99 121.20 130.96 1owk s ILE 161 Ca 0.66 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 1owk s ILE 161 Cb -0.39 -3.33 0.21 0.00 0.01 0.00 0.00 42.46 38.96 1owk s ILE 161 CO 0.31 0.54 0.49 -1.54 0.00 0.00 0.00 174.94 174.73 1owk n SER 162 N 2.68 -2.22 0.15 3.58 3.41 -1.26 -4.24 113.62 115.72 1owk n SER 162 Ca -0.18 -0.20 -0.25 0.00 -0.26 0.00 0.00 58.87 57.98 1owk n SER 162 Cb 0.54 -1.08 -0.16 0.00 -0.26 0.00 0.00 64.21 63.24 1owk n SER 162 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1owk h HIS 163 N -2.46 0.98 -0.74 7.33 2.76 -1.97 -3.00 115.15 118.04 1owk h HIS 163 Ca -0.58 -0.71 -0.05 0.00 -2.20 0.00 0.00 60.37 56.83 1owk h HIS 163 Cb 1.34 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.23 1owk h HIS 163 CO 0.07 1.57 0.27 0.07 -1.30 0.00 0.00 177.93 178.61 1owk h ARG 164 N 0.15 1.11 0.00 5.26 0.11 -1.99 -2.21 114.38 116.81 1owk h ARG 164 Ca -0.26 -0.21 -0.05 0.00 0.10 0.00 0.00 59.98 59.56 1owk h ARG 164 Cb 2.17 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 33.07 1owk h ARG 164 CO 0.27 0.92 -0.23 1.49 0.10 0.00 0.00 179.97 182.52 1owk h GLU 165 N 1.08 0.00 0.00 0.08 4.81 -1.94 -2.36 114.58 116.25 1owk h GLU 165 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1owk h GLU 165 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1owk h GLU 165 CO -0.02 0.23 -0.23 0.00 -0.73 0.00 0.00 179.01 178.26 1owk n GLN 167 N -2.02 2.41 -0.91 0.00 6.02 -0.89 -1.63 117.38 120.35 1owk n GLN 167 Ca 0.05 -2.12 -0.31 0.00 -0.01 0.00 0.00 57.00 54.61 1owk n GLN 167 Cb 0.41 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.31 1owk n GLN 167 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1owk s GLN 168 N -1.53 1.44 0.21 -1.09 -1.52 -1.20 -3.29 119.66 112.68 1owk s GLN 168 Ca 0.38 1.38 -0.09 0.00 -1.95 0.00 0.00 55.36 55.07 1owk s GLN 168 Cb 0.22 -1.79 0.25 0.00 -0.22 0.00 0.00 33.01 31.47 1owk s GLN 168 CO 0.31 -2.28 1.79 -1.00 -0.25 0.00 0.00 175.29 173.85 1owk h PRO 169 N -1.61 0.57 0.00 2.91 0.13 -1.93 -1.83 132.00 130.24 1owk h PRO 169 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1owk h PRO 169 Cb 1.26 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1owk h PRO 169 CO 0.46 0.38 0.00 0.72 -0.23 0.00 0.00 178.00 179.32 1owk n HIS 170 N -4.85 0.00 0.00 1.56 8.25 -1.26 -4.48 115.22 114.44 1owk n HIS 170 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1owk n HIS 170 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1owk n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1owk n TYR 171 N -0.75 0.00 -0.38 4.41 4.02 -0.75 -4.74 117.16 118.98 1owk n TYR 171 Ca 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.01 1owk n TYR 171 Cb 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.39 1owk n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1owk n TYR 172 N 0.00 0.00 -3.11 -0.72 4.01 -0.65 -4.92 117.16 111.78 1owk n TYR 172 Ca 0.00 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1owk n TYR 172 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1owk n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1owk n GLY 173 N -0.54 2.29 0.25 2.72 0.00 -0.81 -1.13 105.19 107.97 1owk n GLY 173 Ca 0.02 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1owk n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1owk n SER 174 N -0.23 0.75 0.05 1.61 7.64 -1.26 -4.04 113.62 118.13 1owk n SER 174 Ca 0.00 -1.41 0.01 0.00 1.01 0.00 0.00 58.87 58.47 1owk n SER 174 Cb 0.00 -0.03 0.33 0.00 -1.01 0.00 0.00 64.21 63.50 1owk n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1owk h GLU 175 N 1.08 0.41 -5.94 1.43 5.08 -1.51 -3.41 114.58 111.72 1owk h GLU 175 Ca 0.00 -0.09 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 1owk h GLU 175 Cb 0.23 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1owk h GLU 175 CO 0.00 0.49 0.12 0.54 -1.00 0.00 0.00 179.01 179.15 1owk s VAL 176 N -4.87 5.03 0.28 3.13 0.11 -1.25 -4.84 120.40 117.99 1owk s VAL 176 Ca -0.07 1.39 0.08 0.00 -2.93 0.00 0.00 61.98 60.45 1owk s VAL 176 Cb 0.15 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1owk s VAL 176 CO 0.75 0.20 0.14 0.42 -3.33 0.00 0.00 175.10 173.29 1owk s THR 177 N 1.15 3.86 -0.53 5.04 -4.23 -1.26 -4.94 115.64 114.72 1owk s THR 177 Ca 0.35 -1.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 1owk s THR 177 Cb -0.17 -3.16 0.09 0.00 1.34 0.00 0.00 72.50 70.60 1owk s THR 177 CO 0.15 -0.31 1.22 0.35 -0.54 0.00 0.00 174.62 175.50 1owk n THR 178 N -1.12 1.36 0.24 3.99 -2.24 -1.26 -1.12 114.28 114.13 1owk n THR 178 Ca -0.06 0.61 0.08 0.00 -2.27 0.00 0.00 64.05 62.41 1owk n THR 178 Cb 0.59 -1.61 0.24 0.00 -2.10 0.00 0.00 70.33 67.45 1owk n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1owk n LYS 179 N -1.79 2.40 -4.34 -0.78 5.02 -1.26 -4.91 118.16 112.50 1owk n LYS 179 Ca -0.01 -1.95 -0.20 0.00 -2.02 0.00 0.00 58.31 54.14 1owk n LYS 179 Cb 0.09 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 1owk n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1owk s MET 180 N -1.39 1.30 0.17 1.97 -1.94 -0.28 -1.98 119.30 117.15 1owk s MET 180 Ca 0.36 -1.51 0.09 0.00 -1.71 0.00 0.00 55.69 52.92 1owk s MET 180 Cb 0.20 -1.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 1owk s MET 180 CO 0.23 0.21 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.74 1owk s LEU 181 N -3.05 2.44 -0.01 -0.03 1.43 -0.50 -4.83 118.68 114.13 1owk s LEU 181 Ca 0.19 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1owk s LEU 181 Cb -0.03 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1owk s LEU 181 CO 0.07 0.01 -0.24 0.00 0.23 0.00 0.00 176.35 176.41 1owk s ALA 183 N -0.61 -0.21 -0.17 0.00 0.00 -0.65 -0.13 121.76 119.98 1owk s ALA 183 Ca 0.10 -0.27 -0.35 0.00 0.00 0.00 0.00 51.96 51.44 1owk s ALA 183 Cb -0.09 0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.30 1owk s ALA 183 CO -0.00 -0.21 1.22 0.00 0.00 0.00 0.00 175.76 176.76 1owk s ALA 184 N -1.52 -2.09 -0.13 0.00 0.00 -0.52 -1.86 121.76 115.64 1owk s ALA 184 Ca -0.14 1.51 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 1owk s ALA 184 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1owk s ALA 184 CO 0.00 -0.64 1.01 0.34 0.00 0.00 0.00 175.76 176.48 1owk s ASP 185 N -2.26 7.22 0.28 0.00 3.68 -1.26 -2.04 116.67 122.30 1owk s ASP 185 Ca 0.10 1.50 0.17 0.00 2.13 0.00 0.00 52.55 56.45 1owk s ASP 185 Cb -0.00 -2.55 0.95 0.00 -1.45 0.00 0.00 42.92 39.86 1owk s ASP 185 CO -0.05 -0.49 1.51 -2.65 0.13 0.00 0.00 175.17 173.63 1owk n PRO 186 N 5.24 0.11 0.00 4.34 -0.02 -1.26 -0.92 135.00 142.50 1owk n PRO 186 Ca 0.09 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1owk n PRO 186 Cb 0.48 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1owk n PRO 186 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1owk n GLN 187 N -2.12 1.51 -3.42 -0.52 1.13 -1.26 -5.02 117.38 107.68 1owk n GLN 187 Ca -0.01 -1.03 -0.25 0.00 -1.94 0.00 0.00 57.00 53.77 1owk n GLN 187 Cb 0.08 -1.25 0.03 0.00 0.11 0.00 0.00 30.24 29.21 1owk n GLN 187 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1owk n TRP 188 N 0.27 -2.16 -0.03 1.08 7.02 -0.09 -4.89 117.44 118.64 1owk n TRP 188 Ca 0.07 0.68 0.02 0.00 -1.02 0.00 0.00 57.50 57.25 1owk n TRP 188 Cb 0.33 -4.07 -0.11 0.00 -2.42 0.00 0.00 31.31 25.04 1owk n TRP 188 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1owk n LYS 189 N -4.28 0.98 -4.30 -0.99 4.76 -1.26 -4.62 118.16 108.44 1owk n LYS 189 Ca -0.03 -0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.09 1owk n LYS 189 Cb 0.57 -1.33 -0.12 0.00 -1.84 0.00 0.00 35.03 32.30 1owk n LYS 189 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1owk s THR 190 N -2.73 1.75 0.00 -0.18 -1.32 -1.26 -4.42 115.64 107.49 1owk s THR 190 Ca -0.06 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1owk s THR 190 Cb 0.07 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 1owk s THR 190 CO 0.57 -0.14 0.00 -0.67 -2.21 0.00 0.00 174.62 172.17 1owk n ASP 191 N 0.84 0.00 -4.84 8.08 2.03 -1.00 -4.23 116.55 117.43 1owk n ASP 191 Ca -0.18 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.86 1owk n ASP 191 Cb 0.55 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.04 1owk n ASP 191 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1owk s SER 192 N 0.00 4.49 0.08 1.67 1.04 -1.26 -0.51 113.70 119.20 1owk s SER 192 Ca 0.00 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1owk s SER 192 Cb 0.00 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 65.02 1owk s SER 192 CO 0.00 -1.87 0.14 0.00 0.98 0.00 0.00 173.24 172.49 1owk n GLN 194 N -0.11 2.85 0.00 0.00 7.27 -1.26 -1.53 117.38 124.60 1owk n GLN 194 Ca -0.01 1.04 0.00 0.00 0.07 0.00 0.00 57.00 58.09 1owk n GLN 194 Cb 0.12 -2.95 0.00 0.00 2.41 0.00 0.00 30.24 29.81 1owk n GLN 194 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1owk n GLY 195 N 4.34 2.08 0.14 1.69 0.00 -1.26 -2.22 105.19 109.95 1owk n GLY 195 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1owk n GLY 195 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1owk h ASP 196 N 0.33 0.00 -1.74 1.61 3.32 -1.60 -3.38 116.42 114.95 1owk h ASP 196 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1owk h ASP 196 Cb 0.00 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.71 1owk h ASP 196 CO 0.00 0.14 -0.99 -1.20 -1.72 0.00 0.00 179.24 175.47 1owk n SER 197 N -2.85 -3.02 0.00 6.45 7.64 -1.26 -1.55 113.62 119.02 1owk n SER 197 Ca -0.01 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1owk n SER 197 Cb 0.61 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1owk n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1owk n GLY 198 N 2.37 2.88 3.80 0.23 0.00 -0.13 -1.70 105.19 112.63 1owk n GLY 198 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1owk n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1owk s GLY 199 N -1.78 1.60 0.27 -0.02 0.00 -0.60 -3.47 107.32 103.32 1owk s GLY 199 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1owk s GLY 199 CO 0.00 0.11 1.11 2.56 0.00 0.00 0.00 173.10 176.88 1owk s PRO 200 N -5.24 4.62 -0.36 2.90 0.04 -1.26 -1.89 135.00 133.81 1owk s PRO 200 Ca 0.62 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.51 1owk s PRO 200 Cb -0.14 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.31 1owk s PRO 200 CO 0.53 0.18 0.09 -1.17 0.04 0.00 0.00 177.00 176.68 1owk s LEU 201 N -1.34 4.19 -0.23 -3.56 2.96 -0.96 -3.39 118.68 116.35 1owk s LEU 201 Ca 0.45 -2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 52.04 1owk s LEU 201 Cb -0.32 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1owk s LEU 201 CO 0.41 -0.36 0.20 -0.69 -1.32 0.00 0.00 176.35 174.59 1owk s VAL 202 N 0.84 5.33 -0.08 1.68 1.01 -0.18 -2.61 120.40 126.39 1owk s VAL 202 Ca 0.12 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1owk s VAL 202 Cb -0.20 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1owk s VAL 202 CO -0.09 0.33 -0.17 0.00 0.00 0.00 0.00 175.10 175.17 1owk s SER 204 N -0.26 6.33 -0.31 0.00 0.15 -1.26 -0.28 113.70 118.08 1owk s SER 204 Ca 0.01 -1.11 -0.15 0.00 0.70 0.00 0.00 55.95 55.40 1owk s SER 204 Cb -0.13 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1owk s SER 204 CO 0.03 -1.54 0.36 -0.22 1.20 0.00 0.00 173.24 173.07 1owk s LEU 205 N 4.68 4.23 -1.48 3.45 2.96 -0.83 -4.49 118.68 127.20 1owk s LEU 205 Ca 0.35 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1owk s LEU 205 Cb -0.07 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.28 1owk s LEU 205 CO 0.03 -0.26 0.44 0.00 -1.32 0.00 0.00 176.35 175.24 1owk n GLN 206 N 5.36 -3.00 0.00 1.98 6.02 -1.26 -1.82 117.38 124.66 1owk n GLN 206 Ca -0.09 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1owk n GLN 206 Cb 0.50 -4.54 0.00 0.00 1.02 0.00 0.00 30.24 27.23 1owk n GLN 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1owk n GLY 207 N -1.94 2.66 3.75 1.08 0.00 -1.26 -5.03 105.19 104.45 1owk n GLY 207 Ca -0.23 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1owk n GLY 207 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owk s ARG 208 N 0.00 4.12 -0.03 1.61 6.06 -0.76 -5.03 118.95 124.93 1owk s ARG 208 Ca 0.00 -0.13 -0.32 0.00 -2.50 0.00 0.00 55.73 52.78 1owk s ARG 208 Cb 0.00 -3.39 -0.11 0.00 0.06 0.00 0.00 34.95 31.51 1owk s ARG 208 CO 0.00 0.34 1.91 -1.33 -2.50 0.00 0.00 175.30 173.73 1owk n MET 209 N 3.34 2.48 -4.89 5.12 2.81 -1.26 -1.96 117.12 122.75 1owk n MET 209 Ca -0.15 0.91 -0.30 0.00 -1.81 0.00 0.00 57.70 56.34 1owk n MET 209 Cb 0.52 -2.80 -0.14 0.00 -0.71 0.00 0.00 33.22 30.09 1owk n MET 209 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1owk s THR 210 N 4.13 2.29 -0.76 2.03 2.01 0.61 -3.90 115.64 122.06 1owk s THR 210 Ca 0.91 -1.31 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1owk s THR 210 Cb -0.58 -1.90 0.09 0.00 0.01 0.00 0.00 72.50 70.12 1owk s THR 210 CO 0.47 0.39 1.05 -0.22 -0.69 0.00 0.00 174.62 175.61 1owk s LEU 211 N -1.21 4.49 -0.14 4.42 2.96 -0.61 -1.35 118.68 127.24 1owk s LEU 211 Ca 0.12 -1.30 0.12 0.00 -0.22 0.00 0.00 54.13 52.85 1owk s LEU 211 Cb -0.10 -2.43 -0.24 0.00 0.50 0.00 0.00 46.19 43.93 1owk s LEU 211 CO 0.02 -1.35 0.29 0.41 -1.32 0.00 0.00 176.35 174.40 1owk n THR 212 N 5.87 1.52 -4.23 3.68 -1.04 -1.07 -3.96 114.28 115.05 1owk n THR 212 Ca 0.06 -0.79 -0.14 0.00 -2.04 0.00 0.00 64.05 61.14 1owk n THR 212 Cb 0.47 -0.90 -0.10 0.00 -1.82 0.00 0.00 70.33 67.98 1owk n THR 212 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1owk s GLY 213 N -5.47 1.00 -0.10 3.41 0.00 -1.14 -2.99 107.32 102.03 1owk s GLY 213 Ca -0.12 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1owk s GLY 213 CO 0.80 -1.49 -0.17 -0.42 0.00 0.00 0.00 173.10 171.81 1owk s ILE 214 N -3.06 1.61 0.13 0.90 1.01 -1.15 -2.26 121.20 118.38 1owk s ILE 214 Ca 0.13 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 1owk s ILE 214 Cb 0.01 -1.44 -0.12 0.00 0.01 0.00 0.00 42.46 40.92 1owk s ILE 214 CO 0.00 0.46 1.75 0.52 0.00 0.00 0.00 174.94 177.68 1owk n VAL 215 N 3.98 0.22 0.00 2.92 0.31 -0.79 -0.77 118.33 124.20 1owk n VAL 215 Ca -0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1owk n VAL 215 Cb 0.52 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1owk n VAL 215 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1owk n SER 216 N 4.85 0.00 -3.31 4.52 2.88 -1.00 -0.95 113.62 120.60 1owk n SER 216 Ca 0.18 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.53 1owk n SER 216 Cb 0.34 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 1owk n SER 216 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1owk s TRP 217 N -0.49 1.66 0.00 0.66 1.48 -1.02 -4.91 118.94 116.32 1owk s TRP 217 Ca 0.00 -1.62 0.00 0.00 -1.06 0.00 0.00 56.10 53.42 1owk s TRP 217 Cb 0.00 -0.62 0.00 0.00 -1.16 0.00 0.00 33.47 31.69 1owk s TRP 217 CO 0.00 -0.92 0.00 0.41 -4.06 0.00 0.00 176.95 172.38 1owk n GLY 218 N -0.62 2.36 3.55 3.67 0.00 -1.26 0.16 105.19 113.06 1owk n GLY 218 Ca 0.07 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1owk n GLY 218 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1owk s ARG 219 N -1.96 3.33 3.06 1.61 6.06 -1.26 -4.85 118.95 124.94 1owk s ARG 219 Ca 0.00 -0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 1owk s ARG 219 Cb 0.00 -4.10 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1owk s ARG 219 CO 0.00 -1.86 0.00 0.41 -2.50 0.00 0.00 175.30 171.35 1owk n GLY 220 N 5.22 -0.27 2.87 8.12 0.00 -1.26 -4.62 105.19 115.25 1owk n GLY 220 Ca 0.05 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1owk n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1owk n ALA 222 N 5.33 -0.56 -2.45 0.00 0.00 -1.26 -4.94 120.51 116.63 1owk n ALA 222 Ca -0.05 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 1owk n ALA 222 Cb 0.50 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1owk n ALA 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1owk s LEU 223 N -4.80 4.34 0.20 0.00 1.43 -1.26 -4.60 118.68 113.99 1owk s LEU 223 Ca 0.08 0.96 -0.32 0.00 -1.03 0.00 0.00 54.13 53.81 1owk s LEU 223 Cb -0.03 -3.15 -0.14 0.00 0.03 0.00 0.00 46.19 42.89 1owk s LEU 223 CO 0.10 0.13 1.36 1.17 0.23 0.00 0.00 176.35 179.34 1owk n LYS 224 N 0.84 1.77 -1.42 1.70 4.81 -1.26 -1.70 118.16 122.90 1owk n LYS 224 Ca -0.06 0.63 -0.15 0.00 -0.87 0.00 0.00 58.31 57.86 1owk n LYS 224 Cb 0.52 -2.26 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 1owk n LYS 224 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1owk n ASP 225 N 2.31 -4.17 -3.61 3.14 8.00 -1.26 -4.89 116.55 116.07 1owk n ASP 225 Ca 0.14 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.74 1owk n ASP 225 Cb 0.29 -3.74 -0.10 0.00 -0.02 0.00 0.00 41.12 37.55 1owk n ASP 225 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1owk n LYS 226 N -1.91 1.73 -0.27 -1.24 4.76 -0.69 -4.28 118.16 116.26 1owk n LYS 226 Ca -0.15 -4.25 -0.30 0.00 -2.87 0.00 0.00 58.31 50.74 1owk n LYS 226 Cb 0.51 -2.09 0.29 0.00 -1.84 0.00 0.00 35.03 31.90 1owk n LYS 226 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1owk n PRO 227 N 1.67 -4.48 -4.01 1.97 -0.02 -1.26 -4.38 135.00 124.48 1owk n PRO 227 Ca 0.25 -1.32 -0.35 0.00 -2.02 0.00 0.00 63.50 60.05 1owk n PRO 227 Cb 0.40 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 1owk n PRO 227 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1owk s GLY 228 N -2.94 1.99 -0.10 -1.23 0.00 -0.78 -4.23 107.32 100.03 1owk s GLY 228 Ca 0.67 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.63 1owk s GLY 228 CO 0.58 -0.19 0.04 0.14 0.00 0.00 0.00 173.10 173.67 1owk s VAL 229 N -0.31 4.68 0.25 1.40 1.01 0.12 -1.63 120.40 125.92 1owk s VAL 229 Ca 0.09 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.06 1owk s VAL 229 Cb -0.12 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1owk s VAL 229 CO 0.01 0.60 -0.15 -0.31 0.00 0.00 0.00 175.10 175.26 1owk s TYR 230 N -0.82 1.98 -0.14 5.22 2.02 0.50 -2.39 117.35 123.73 1owk s TYR 230 Ca 0.13 -0.51 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 1owk s TYR 230 Cb -0.12 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1owk s TYR 230 CO 0.03 0.48 0.87 0.99 -1.57 0.00 0.00 175.55 176.35 1owk s THR 231 N -2.80 4.87 -1.00 -0.71 2.01 0.05 -1.42 115.64 116.64 1owk s THR 231 Ca 0.27 1.74 -0.23 0.00 0.31 0.00 0.00 61.69 63.77 1owk s THR 231 Cb -0.01 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.34 1owk s THR 231 CO 0.11 0.04 1.58 -0.60 -0.69 0.00 0.00 174.62 175.06 1owk s ARG 232 N 1.97 3.33 0.24 4.92 3.52 -0.84 -2.92 118.95 129.18 1owk s ARG 232 Ca 0.41 -0.93 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 1owk s ARG 232 Cb -0.17 -5.29 0.33 0.00 -1.56 0.00 0.00 34.95 28.26 1owk s ARG 232 CO 0.15 -2.51 1.59 0.28 -0.81 0.00 0.00 175.30 174.00 1owk h VAL 233 N 6.89 0.20 -1.02 7.11 2.07 -1.84 -1.91 116.25 127.75 1owk h VAL 233 Ca 0.18 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.04 1owk h VAL 233 Cb 1.01 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 30.82 1owk h VAL 233 CO 1.37 0.00 0.58 0.77 0.02 0.00 0.00 177.57 180.32 1owk h SER 234 N -0.01 0.47 -0.62 0.57 4.64 -1.87 0.19 113.55 116.92 1owk h SER 234 Ca 0.38 0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.83 1owk h SER 234 Cb 0.58 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1owk h SER 234 CO -0.82 -0.18 0.16 -0.74 -0.87 0.00 0.00 176.83 174.38 1owk h HIS 235 N 0.26 1.05 -0.21 4.77 6.17 -1.72 -3.15 115.15 122.31 1owk h HIS 235 Ca 0.76 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.73 1owk h HIS 235 Cb 1.82 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 31.45 1owk h HIS 235 CO -0.01 0.86 0.00 1.19 0.71 0.00 0.00 177.93 180.68 1owk n PHE 236 N -4.25 0.28 -0.22 5.26 3.01 0.66 -4.50 117.46 117.70 1owk n PHE 236 Ca 0.05 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1owk n PHE 236 Cb 0.24 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1owk n PHE 236 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1owk h LEU 237 N 1.85 -0.52 -2.10 4.37 3.38 -1.47 0.70 115.31 121.52 1owk h LEU 237 Ca 0.00 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1owk h LEU 237 Cb 0.41 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1owk h LEU 237 CO 0.00 -0.19 0.09 -0.65 0.09 0.00 0.00 178.44 177.78 1owk h PRO 238 N 0.03 0.00 -0.01 1.13 0.11 -1.87 -0.56 132.00 130.83 1owk h PRO 238 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1owk h PRO 238 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1owk h PRO 238 CO -0.64 0.00 -0.04 2.35 -0.21 0.00 0.00 178.00 179.46 1owk h TRP 239 N 0.00 0.05 -0.14 0.65 7.01 -1.23 -2.45 115.95 119.84 1owk h TRP 239 Ca 0.05 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1owk h TRP 239 Cb 0.24 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1owk h TRP 239 CO 0.00 0.72 0.05 0.82 -2.79 0.00 0.00 178.44 177.24 1owk h ILE 240 N -0.63 0.98 0.50 2.65 2.04 -0.89 -0.44 117.51 121.72 1owk h ILE 240 Ca -0.00 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1owk h ILE 240 Cb 0.72 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1owk h ILE 240 CO 0.01 0.02 -0.35 -0.09 0.00 0.00 0.00 178.15 177.74 1owk h ARG 241 N 0.12 -0.80 0.00 2.37 2.43 -1.21 -1.74 114.38 115.55 1owk h ARG 241 Ca 0.06 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1owk h ARG 241 Cb 0.03 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1owk h ARG 241 CO -0.05 -0.53 0.00 0.66 -1.51 0.00 0.00 179.97 178.53 1owk h SER 242 N -0.83 0.00 -0.48 -3.80 4.64 -1.40 -2.77 113.55 108.90 1owk h SER 242 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1owk h SER 242 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1owk h SER 242 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 1owk n HIS 243 N -3.06 0.63 -0.53 4.77 8.25 -0.18 -5.08 115.22 120.01 1owk n HIS 243 Ca -0.01 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1owk n HIS 243 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1owk n HIS 243 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23