#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqo s ILE 2 N 0.00 4.98 0.00 1.39 -1.09 -0.23 -4.10 121.20 122.16 1sqo s ILE 2 Ca 0.00 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1sqo s ILE 2 Cb 0.00 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1sqo s ILE 2 CO 0.00 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1sqo n GLY 3 N 2.96 1.30 7.00 6.18 0.00 -1.26 -2.30 105.19 119.07 1sqo n GLY 3 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sqo n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqo n GLY 4 N 0.00 0.59 3.29 -0.02 0.00 -1.26 -4.89 105.19 102.90 1sqo n GLY 4 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1sqo n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqo s GLU 5 N 0.00 1.01 0.48 1.61 -1.05 -0.70 -4.99 118.70 115.06 1sqo s GLU 5 Ca 0.00 -0.91 -0.22 0.00 -0.15 0.00 0.00 54.97 53.69 1sqo s GLU 5 Cb 0.00 0.40 -0.07 0.00 -0.44 0.00 0.00 34.13 34.02 1sqo s GLU 5 CO 0.00 -0.37 1.12 -0.06 0.95 0.00 0.00 175.26 176.90 1sqo s PHE 6 N -3.86 2.89 0.17 4.83 0.40 -1.26 -1.57 117.98 119.58 1sqo s PHE 6 Ca 0.07 1.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.98 1sqo s PHE 6 Cb 0.03 -3.27 -0.01 0.00 0.51 0.00 0.00 43.02 40.29 1sqo s PHE 6 CO -0.09 -1.28 0.19 -2.37 0.70 0.00 0.00 175.22 172.37 1sqo n THR 7 N -0.73 0.00 -4.25 0.64 5.66 -0.40 -4.83 114.28 110.37 1sqo n THR 7 Ca 0.08 -1.10 -0.14 0.00 -3.05 0.00 0.00 64.05 59.85 1sqo n THR 7 Cb 0.50 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.77 1sqo n THR 7 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1sqo s THR 8 N -2.66 0.86 0.56 1.09 -4.23 -1.26 -4.18 115.64 105.82 1sqo s THR 8 Ca 0.18 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.93 1sqo s THR 8 Cb 0.00 -2.02 0.32 0.00 1.34 0.00 0.00 72.50 72.15 1sqo s THR 8 CO 0.13 -0.58 2.22 -0.29 -0.54 0.00 0.00 174.62 175.55 1sqo h ILE 9 N 2.72 0.71 0.00 2.99 6.09 -1.88 -2.13 117.51 126.00 1sqo h ILE 9 Ca -0.37 -0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 1sqo h ILE 9 Cb 1.20 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 1sqo h ILE 9 CO 0.63 0.00 -0.05 1.05 -3.07 0.00 0.00 178.15 176.72 1sqo h GLU 10 N 0.00 0.00 0.00 2.19 4.11 -1.87 -0.79 114.58 118.22 1sqo h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sqo h GLU 10 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sqo h GLU 10 CO 0.00 0.05 -0.29 -0.91 0.07 0.00 0.00 179.01 177.93 1sqo h ASN 11 N 0.00 0.00 -1.79 3.06 -0.26 -1.75 -3.38 115.58 111.46 1sqo h ASN 11 Ca -0.00 -0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.23 1sqo h ASN 11 Cb 0.15 0.00 -0.35 0.00 -1.06 0.00 0.00 38.32 37.07 1sqo h ASN 11 CO 0.01 0.00 -0.98 0.00 -1.06 0.00 0.00 177.43 175.39 1sqo n GLN 12 N -2.98 0.60 0.00 0.81 3.00 -0.36 -5.01 117.38 113.45 1sqo n GLN 12 Ca 0.03 -2.98 0.09 0.00 -0.01 0.00 0.00 57.00 54.13 1sqo n GLN 12 Cb 0.54 -1.35 0.49 0.00 0.00 0.00 0.00 30.24 29.92 1sqo n GLN 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1sqo n PRO 13 N 1.79 0.30 0.00 -1.09 -0.04 -0.85 -2.16 135.00 132.95 1sqo n PRO 13 Ca 0.21 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1sqo n PRO 13 Cb 0.53 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.84 1sqo n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sqo n TRP 14 N -1.26 0.00 -2.58 0.54 2.14 -1.19 -1.15 117.44 113.94 1sqo n TRP 14 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.24 1sqo n TRP 14 Cb 0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 1sqo n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1sqo s PHE 15 N -2.13 3.45 -0.14 -2.67 5.36 -0.92 -0.99 117.98 119.94 1sqo s PHE 15 Ca 0.31 1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.72 1sqo s PHE 15 Cb 0.20 -3.28 -0.03 0.00 -0.34 0.00 0.00 43.02 39.57 1sqo s PHE 15 CO 0.38 -0.68 -0.05 0.00 -1.46 0.00 0.00 175.22 173.41 1sqo s ALA 16 N 1.57 2.98 -0.37 11.12 0.00 0.26 -4.45 121.76 132.87 1sqo s ALA 16 Ca 0.54 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1sqo s ALA 16 Cb -0.23 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1sqo s ALA 16 CO 0.24 0.29 0.32 0.00 0.00 0.00 0.00 175.76 176.62 1sqo s ALA 17 N 0.12 3.49 -0.23 0.00 0.00 -0.39 -1.31 121.76 123.44 1sqo s ALA 17 Ca -0.01 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1sqo s ALA 17 Cb -0.14 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1sqo s ALA 17 CO 0.03 -1.19 0.08 0.42 0.00 0.00 0.00 175.76 175.10 1sqo s ILE 18 N 1.87 4.57 0.30 0.00 1.01 -0.14 -1.46 121.20 127.36 1sqo s ILE 18 Ca 0.09 -0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.75 1sqo s ILE 18 Cb -0.17 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1sqo s ILE 18 CO 0.11 0.37 -0.08 -0.31 0.00 0.00 0.00 174.94 175.04 1sqo s TYR 19 N 1.17 2.47 -0.05 3.97 1.51 0.10 -0.24 117.35 126.27 1sqo s TYR 19 Ca 0.05 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1sqo s TYR 19 Cb -0.14 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1sqo s TYR 19 CO 0.04 0.61 -0.12 0.50 -1.11 0.00 0.00 175.55 175.46 1sqo s ARG 20 N -3.62 1.50 -0.03 -0.62 3.52 -0.43 -0.75 118.95 118.52 1sqo s ARG 20 Ca 0.32 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 55.34 1sqo s ARG 20 Cb -0.03 -1.29 -0.05 0.00 -1.56 0.00 0.00 34.95 32.02 1sqo s ARG 20 CO 0.18 0.09 0.45 -0.98 -0.81 0.00 0.00 175.30 174.23 1sqo s ARG 21 N 0.41 4.11 0.18 5.12 1.70 -0.46 -1.78 118.95 128.24 1sqo s ARG 21 Ca -0.09 0.47 0.06 0.00 -0.47 0.00 0.00 55.73 55.70 1sqo s ARG 21 Cb -0.13 -3.30 -0.04 0.00 -0.57 0.00 0.00 34.95 30.91 1sqo s ARG 21 CO 0.02 0.49 0.08 -1.01 -1.08 0.00 0.00 175.30 173.81 1sqo s HIS 22 N -0.47 3.01 0.23 5.89 3.76 -0.22 -4.93 115.29 122.56 1sqo s HIS 22 Ca 0.25 -0.08 -0.32 0.00 -0.15 0.00 0.00 55.06 54.77 1sqo s HIS 22 Cb -0.16 -1.44 -0.13 0.00 1.11 0.00 0.00 32.58 31.96 1sqo s HIS 22 CO 0.13 0.52 1.59 0.54 -0.85 0.00 0.00 174.74 176.68 1sqo n ARG 23 N -0.35 2.49 0.00 1.40 1.74 -1.26 -0.95 116.66 119.74 1sqo n ARG 23 Ca -0.09 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1sqo n ARG 23 Cb 0.55 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 1sqo n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqo n GLY 25 N 2.92 1.96 0.48 -0.13 0.00 -1.26 -4.64 105.19 104.53 1sqo n GLY 25 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1sqo n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqo n GLY 27 N -1.07 0.52 3.79 -0.02 0.00 -0.12 -5.07 105.19 103.21 1sqo n GLY 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sqo n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqo s SER 28 N -2.58 6.69 -0.05 1.61 1.04 -1.25 -4.81 113.70 114.35 1sqo s SER 28 Ca 0.00 1.96 0.06 0.00 0.48 0.00 0.00 55.95 58.45 1sqo s SER 28 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1sqo s SER 28 CO 0.00 -0.54 -0.23 -0.69 0.98 0.00 0.00 173.24 172.76 1sqo s VAL 29 N -1.80 1.92 0.12 5.02 1.01 -1.26 -1.06 120.40 124.34 1sqo s VAL 29 Ca 0.60 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1sqo s VAL 29 Cb -0.19 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1sqo s VAL 29 CO 0.24 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 176.17 1sqo s THR 30 N -0.13 1.15 0.30 3.92 -4.23 -0.73 -4.96 115.64 110.95 1sqo s THR 30 Ca -0.03 -1.73 -0.28 0.00 -1.18 0.00 0.00 61.69 58.46 1sqo s THR 30 Cb -0.13 -1.50 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 1sqo s THR 30 CO 0.03 -0.52 1.04 -0.47 -0.54 0.00 0.00 174.62 174.16 1sqo s TYR 31 N -2.43 3.61 -0.03 3.99 6.14 -1.26 -1.32 117.35 126.05 1sqo s TYR 31 Ca 0.09 1.74 -0.05 0.00 0.64 0.00 0.00 57.07 59.49 1sqo s TYR 31 Cb -0.03 -3.16 -0.02 0.00 0.42 0.00 0.00 41.96 39.18 1sqo s TYR 31 CO 0.01 -0.29 -0.10 0.28 0.64 0.00 0.00 175.55 176.10 1sqo n VAL 32 N 0.94 0.71 -3.81 3.14 0.31 0.66 -4.84 118.33 115.43 1sqo n VAL 32 Ca 0.00 0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1sqo n VAL 32 Cb 0.47 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1sqo n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqo s GLY 36 N -3.00 1.76 0.27 0.00 0.00 -0.59 -0.97 107.32 104.79 1sqo s GLY 36 Ca 0.13 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 1sqo s GLY 36 CO 0.05 -1.14 0.87 -0.32 0.00 0.00 0.00 173.10 172.57 1sqo s GLY 37 N -4.75 0.09 -0.03 0.20 0.00 -0.43 -3.63 107.32 98.78 1sqo s GLY 37 Ca 0.67 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.03 1sqo s GLY 37 CO 0.45 0.46 -0.10 -0.56 0.00 0.00 0.00 173.10 173.35 1sqo s SER 38 N -3.10 1.33 -0.37 1.64 0.01 -0.67 -0.57 113.70 111.97 1sqo s SER 38 Ca 0.15 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 1sqo s SER 38 Cb -0.04 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1sqo s SER 38 CO 0.07 0.06 1.06 -0.22 0.41 0.00 0.00 173.24 174.62 1sqo s LEU 39 N 0.30 3.87 0.02 2.44 2.96 -0.16 -1.02 118.68 127.08 1sqo s LEU 39 Ca -0.05 0.80 0.22 0.00 -0.22 0.00 0.00 54.13 54.87 1sqo s LEU 39 Cb -0.10 -3.48 -0.27 0.00 0.50 0.00 0.00 46.19 42.84 1sqo s LEU 39 CO 0.01 -0.97 0.60 0.23 -1.32 0.00 0.00 176.35 174.90 1sqo n MET 41 N 7.10 0.65 -3.51 1.98 2.81 -0.63 -1.63 117.12 123.89 1sqo n MET 41 Ca 0.11 -0.13 -0.12 0.00 -1.81 0.00 0.00 57.70 55.75 1sqo n MET 41 Cb 0.48 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 1sqo n MET 41 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1sqo s SER 43 N -4.69 -0.45 0.39 7.83 1.04 -1.16 -4.72 113.70 111.94 1sqo s SER 43 Ca -0.06 -0.05 0.18 0.00 0.48 0.00 0.00 55.95 56.50 1sqo s SER 43 Cb 0.13 0.54 1.11 0.00 0.10 0.00 0.00 66.02 67.91 1sqo s SER 43 CO 0.89 -0.89 1.74 -0.65 0.98 0.00 0.00 173.24 175.31 1sqo h PRO 44 N 2.26 0.37 -0.02 4.02 0.11 -1.94 -1.06 132.00 135.74 1sqo h PRO 44 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1sqo h PRO 44 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sqo h PRO 44 CO 0.41 0.24 -0.24 0.00 -0.21 0.00 0.00 178.00 178.20 1sqo s TRP 48 N -2.21 1.28 -0.08 0.00 0.52 -0.40 -1.02 118.94 117.03 1sqo s TRP 48 Ca 0.23 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 55.88 1sqo s TRP 48 Cb 0.19 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 1sqo s TRP 48 CO 0.43 -0.28 -0.09 0.08 0.02 0.00 0.00 176.95 177.11 1sqo s VAL 49 N 0.85 3.52 -0.09 4.03 1.01 -0.24 -1.60 120.40 127.89 1sqo s VAL 49 Ca -0.11 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1sqo s VAL 49 Cb -0.15 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1sqo s VAL 49 CO 0.01 0.58 -0.12 -0.51 0.00 0.00 0.00 175.10 175.06 1sqo s ILE 50 N -0.52 3.24 0.00 2.22 2.07 -0.19 -0.79 121.20 127.24 1sqo s ILE 50 Ca 0.08 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1sqo s ILE 50 Cb -0.12 -2.32 0.00 0.00 0.13 0.00 0.00 42.46 40.15 1sqo s ILE 50 CO 0.02 0.57 0.00 -0.24 -1.91 0.00 0.00 174.94 173.37 1sqo n SER 51 N 2.75 0.00 -4.44 4.50 2.88 0.05 -1.67 113.62 117.70 1sqo n SER 51 Ca -0.18 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.03 1sqo n SER 51 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 1sqo n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqo s ALA 52 N -1.86 2.90 0.42 -1.46 0.00 -1.26 -0.91 121.76 119.59 1sqo s ALA 52 Ca 0.00 -0.91 0.14 0.00 0.00 0.00 0.00 51.96 51.19 1sqo s ALA 52 Cb 0.00 -1.54 1.01 0.00 0.00 0.00 0.00 23.12 22.59 1sqo s ALA 52 CO 0.00 0.08 1.92 1.15 0.00 0.00 0.00 175.76 178.91 1sqo h THR 53 N 5.31 0.82 -0.01 0.00 2.02 -1.72 -2.20 112.91 117.13 1sqo h THR 53 Ca -0.32 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1sqo h THR 53 Cb 1.19 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1sqo h THR 53 CO 0.61 0.08 0.10 1.12 0.37 0.00 0.00 175.52 177.80 1sqo h HIS 54 N 0.46 0.00 0.00 3.16 2.07 -1.93 -1.13 115.15 117.79 1sqo h HIS 54 Ca 0.36 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.87 1sqo h HIS 54 Cb 0.77 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.75 1sqo h HIS 54 CO -0.00 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 174.79 1sqo n PHE 56 N -3.13 0.00 -0.31 0.00 3.72 -0.52 -4.88 117.46 112.33 1sqo n PHE 56 Ca 0.02 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.68 1sqo n PHE 56 Cb 0.47 0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.58 1sqo n PHE 56 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1sqo h ILE 57 N 0.00 0.51 0.00 4.37 6.09 -1.46 0.70 117.51 127.72 1sqo h ILE 57 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1sqo h ILE 57 Cb 0.00 0.19 0.00 0.00 0.47 0.00 0.00 36.82 37.48 1sqo h ILE 57 CO 0.00 0.05 -0.49 0.47 -3.07 0.00 0.00 178.15 175.12 1sqo n ASP 58 N -4.52 0.68 -3.25 2.19 8.00 -1.26 -4.26 116.55 114.12 1sqo n ASP 58 Ca 0.25 0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.68 1sqo n ASP 58 Cb 0.94 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.94 1sqo n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sqo n TYR 59 N -2.07 0.01 0.28 1.24 4.02 0.18 -5.01 117.16 115.81 1sqo n TYR 59 Ca 0.04 -3.60 -0.03 0.00 -0.01 0.00 0.00 57.90 54.30 1sqo n TYR 59 Cb 0.43 -0.29 0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1sqo n TYR 59 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1sqo n PRO 60 N 1.57 1.16 -3.46 -0.72 -0.04 -0.85 -4.81 135.00 127.85 1sqo n PRO 60 Ca 0.23 -0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 1sqo n PRO 60 Cb 0.51 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 1sqo n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1sqo s LYS 61 N -0.40 2.96 0.44 0.54 1.02 -1.26 -4.98 119.74 118.05 1sqo s LYS 61 Ca 0.07 -1.07 0.18 0.00 0.02 0.00 0.00 55.97 55.17 1sqo s LYS 61 Cb 0.06 -3.98 1.11 0.00 -0.52 0.00 0.00 37.83 34.50 1sqo s LYS 61 CO 0.01 -0.78 1.92 1.57 -0.92 0.00 0.00 175.35 177.14 1sqo h LYS 62 N 8.63 0.34 0.00 1.68 2.10 -1.89 -1.78 116.57 125.65 1sqo h LYS 62 Ca -0.27 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1sqo h LYS 62 Cb 1.12 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1sqo h LYS 62 CO 0.74 0.22 0.00 0.93 -2.00 0.00 0.00 179.45 179.35 1sqo h GLU 63 N 0.35 0.00 0.00 0.07 3.07 -1.94 -2.73 114.58 113.40 1sqo h GLU 63 Ca 0.37 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1sqo h GLU 63 Cb 0.95 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1sqo h GLU 63 CO -0.11 0.00 -0.08 -0.44 -1.40 0.00 0.00 179.01 176.98 1sqo h ASP 65 N 0.00 0.00 -3.33 1.42 3.45 -1.68 -3.47 116.42 112.81 1sqo h ASP 65 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1sqo h ASP 65 Cb 0.22 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 1sqo h ASP 65 CO 0.00 0.08 -0.11 -0.31 -1.57 0.00 0.00 179.24 177.33 1sqo s TYR 67 N -3.38 3.54 -0.09 4.55 2.02 -1.03 -1.35 117.35 121.61 1sqo s TYR 67 Ca 0.04 0.97 0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1sqo s TYR 67 Cb 0.07 -2.31 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1sqo s TYR 67 CO 0.63 0.39 -0.17 0.42 -1.57 0.00 0.00 175.55 175.25 1sqo s ILE 68 N -1.57 1.58 -0.13 2.71 1.01 0.08 -4.20 121.20 120.68 1sqo s ILE 68 Ca 0.40 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1sqo s ILE 68 Cb -0.14 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 1sqo s ILE 68 CO 0.20 0.45 -0.19 -0.69 0.00 0.00 0.00 174.94 174.71 1sqo s VAL 69 N 0.65 2.39 -0.00 2.92 1.01 -0.66 0.03 120.40 126.74 1sqo s VAL 69 Ca -0.14 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1sqo s VAL 69 Cb -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1sqo s VAL 69 CO 0.04 0.54 -0.09 -0.31 0.00 0.00 0.00 175.10 175.28 1sqo s TYR 70 N 0.55 2.84 0.16 5.22 1.51 -0.54 -0.69 117.35 126.41 1sqo s TYR 70 Ca -0.12 -0.07 0.10 0.00 -1.01 0.00 0.00 57.07 55.98 1sqo s TYR 70 Cb -0.16 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1sqo s TYR 70 CO 0.04 0.34 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.08 1sqo s LEU 71 N -1.33 2.39 -1.05 -1.29 1.43 -0.60 -1.26 118.68 116.97 1sqo s LEU 71 Ca 0.16 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1sqo s LEU 71 Cb -0.11 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1sqo s LEU 71 CO 0.06 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1sqo n GLY 72 N 0.55 0.42 3.46 -3.19 0.00 -1.24 -1.70 105.19 103.49 1sqo n GLY 72 Ca -0.15 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1sqo n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqo s ARG 73 N -3.94 3.62 -0.01 1.61 3.52 -1.26 -3.68 118.95 118.80 1sqo s ARG 73 Ca 0.00 -0.54 0.18 0.00 -0.13 0.00 0.00 55.73 55.24 1sqo s ARG 73 Cb 0.00 -2.93 -0.24 0.00 -1.56 0.00 0.00 34.95 30.21 1sqo s ARG 73 CO 0.00 0.16 0.55 0.43 -0.81 0.00 0.00 175.30 175.63 1sqo n SER 74 N 3.77 0.83 -4.22 -2.12 7.64 -1.26 -4.61 113.62 113.65 1sqo n SER 74 Ca -0.17 -0.39 -0.17 0.00 1.01 0.00 0.00 58.87 59.14 1sqo n SER 74 Cb 0.52 1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 65.09 1sqo n SER 74 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sqo s ARG 76 N -3.01 0.96 0.30 1.43 0.52 -1.26 -2.09 118.95 115.81 1sqo s ARG 76 Ca -0.01 -1.20 0.10 0.00 -0.52 0.00 0.00 55.73 54.10 1sqo s ARG 76 Cb 0.12 -0.80 0.47 0.00 0.52 0.00 0.00 34.95 35.27 1sqo s ARG 76 CO 0.74 0.15 1.69 1.25 0.02 0.00 0.00 175.30 179.15 1sqo h LEU 78 N 3.59 0.06 -5.22 2.53 5.85 -1.22 -3.35 115.31 117.55 1sqo h LEU 78 Ca -0.39 -0.03 -0.43 0.00 0.84 0.00 0.00 57.88 57.86 1sqo h LEU 78 Cb 1.19 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.80 1sqo h LEU 78 CO 0.50 0.56 -1.11 0.59 -0.34 0.00 0.00 178.44 178.65 1sqo n ASN 79 N -3.94 1.88 -3.65 1.25 3.02 -1.26 -5.04 115.26 107.52 1sqo n ASN 79 Ca -0.02 -2.98 -0.11 0.00 -0.03 0.00 0.00 54.58 51.45 1sqo n ASN 79 Cb 0.53 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 1sqo n ASN 79 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1sqo s SER 80 N -3.01 -0.78 -0.95 6.41 1.04 -1.26 -5.07 113.70 110.08 1sqo s SER 80 Ca 0.34 1.37 -0.23 0.00 0.48 0.00 0.00 55.95 57.91 1sqo s SER 80 Cb 0.41 1.32 0.06 0.00 0.10 0.00 0.00 66.02 67.91 1sqo s SER 80 CO -0.03 -0.23 1.36 0.20 0.98 0.00 0.00 173.24 175.52 1sqo s ASN 81 N 0.95 6.46 0.32 7.02 0.01 -1.26 -4.48 114.94 123.95 1sqo s ASN 81 Ca -0.05 -1.37 -0.29 0.00 -0.71 0.00 0.00 52.86 50.44 1sqo s ASN 81 Cb -0.05 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.96 1sqo s ASN 81 CO -0.08 -1.49 1.50 -0.89 -1.51 0.00 0.00 177.10 174.63 1sqo s THR 82 N 4.72 2.20 0.15 1.60 2.01 -1.26 -4.91 115.64 120.15 1sqo s THR 82 Ca 0.41 0.18 -0.34 0.00 0.31 0.00 0.00 61.69 62.26 1sqo s THR 82 Cb -0.03 -3.12 -0.15 0.00 0.01 0.00 0.00 72.50 69.22 1sqo s THR 82 CO -0.05 0.04 1.48 0.00 -0.69 0.00 0.00 174.62 175.40 1sqo n GLN 83 N 1.39 1.85 -0.35 4.92 -0.00 -1.26 -1.84 117.38 122.09 1sqo n GLN 83 Ca 0.04 0.67 0.00 0.00 -0.00 0.00 0.00 57.00 57.71 1sqo n GLN 83 Cb 0.39 -2.38 0.00 0.00 -0.00 0.00 0.00 30.24 28.25 1sqo n GLN 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sqo n GLY 84 N 2.99 1.17 3.73 2.61 0.00 -1.26 -5.00 105.19 109.43 1sqo n GLY 84 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1sqo n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqo s GLU 85 N -0.42 1.56 -0.00 1.61 -1.05 -0.77 -4.82 118.70 114.82 1sqo s GLU 85 Ca 0.00 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 1sqo s GLU 85 Cb 0.00 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 1sqo s GLU 85 CO 0.00 -2.08 0.00 -1.64 0.95 0.00 0.00 175.26 172.50 1sqo s MET 86 N -4.90 0.01 -0.01 -4.83 -1.94 -0.69 -5.00 119.30 101.95 1sqo s MET 86 Ca 0.63 0.02 0.02 0.00 -1.71 0.00 0.00 55.69 54.65 1sqo s MET 86 Cb -0.18 -0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.57 1sqo s MET 86 CO 0.57 -0.02 -0.03 0.21 -0.01 0.00 0.00 175.02 175.74 1sqo s LYS 87 N 0.17 2.72 0.11 2.03 2.20 -1.26 -1.55 119.74 124.16 1sqo s LYS 87 Ca -0.01 -0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1sqo s LYS 87 Cb -0.02 -2.62 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1sqo s LYS 87 CO -0.00 0.62 0.07 -0.06 -0.36 0.00 0.00 175.35 175.62 1sqo s PHE 88 N -1.03 0.68 0.41 4.03 0.40 0.13 -4.63 117.98 117.97 1sqo s PHE 88 Ca 0.18 -1.10 0.07 0.00 -0.60 0.00 0.00 56.93 55.48 1sqo s PHE 88 Cb -0.11 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1sqo s PHE 88 CO 0.08 -0.52 0.23 -1.21 0.70 0.00 0.00 175.22 174.50 1sqo s GLU 89 N -4.00 2.31 -0.36 0.44 2.02 -0.69 -1.66 118.70 116.76 1sqo s GLU 89 Ca 0.18 -1.74 -0.13 0.00 0.02 0.00 0.00 54.97 53.30 1sqo s GLU 89 Cb 0.07 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1sqo s GLU 89 CO -0.02 -0.12 0.24 0.08 0.02 0.00 0.00 175.26 175.47 1sqo s VAL 90 N -2.55 5.10 0.12 2.63 1.01 -1.26 -1.58 120.40 123.87 1sqo s VAL 90 Ca 0.43 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.04 1sqo s VAL 90 Cb 0.02 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1sqo s VAL 90 CO 0.24 -0.12 1.42 -0.08 0.00 0.00 0.00 175.10 176.56 1sqo h GLU 91 N 8.51 0.00 -2.34 2.72 4.81 -1.21 -3.42 114.58 123.65 1sqo h GLU 91 Ca -0.29 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1sqo h GLU 91 Cb 1.14 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.27 1sqo h GLU 91 CO 0.67 0.79 -0.21 1.21 -0.73 0.00 0.00 179.01 180.73 1sqo s ASN 92 N -6.69 -0.66 -0.30 1.04 3.84 -1.20 -4.96 114.94 106.01 1sqo s ASN 92 Ca 0.01 1.19 -0.05 0.00 0.21 0.00 0.00 52.86 54.22 1sqo s ASN 92 Cb 0.10 1.36 0.03 0.00 -0.55 0.00 0.00 41.25 42.19 1sqo s ASN 92 CO 0.79 -0.22 0.06 -0.22 -2.79 0.00 0.00 177.10 174.71 1sqo s LEU 93 N 2.07 3.91 -0.25 3.21 2.96 -1.26 -0.58 118.68 128.74 1sqo s LEU 93 Ca -0.07 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 1sqo s LEU 93 Cb -0.09 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1sqo s LEU 93 CO -0.16 -0.24 0.02 -0.63 -1.32 0.00 0.00 176.35 174.03 1sqo s ILE 94 N 1.41 3.72 -0.02 6.68 1.01 0.11 -4.99 121.20 129.12 1sqo s ILE 94 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1sqo s ILE 94 Cb -0.18 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1sqo s ILE 94 CO 0.01 0.28 0.00 -0.76 0.00 0.00 0.00 174.94 174.48 1sqo s LEU 95 N 1.50 3.54 0.12 2.97 1.43 -1.26 -0.92 118.68 126.05 1sqo s LEU 95 Ca 0.04 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 1sqo s LEU 95 Cb -0.15 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 1sqo s LEU 95 CO -0.00 0.30 1.49 -2.28 0.23 0.00 0.00 176.35 176.08 1sqo s HIS 96 N -1.05 3.04 -0.78 0.29 5.65 -1.18 -4.86 115.29 116.39 1sqo s HIS 96 Ca 0.18 0.74 0.09 0.00 0.25 0.00 0.00 55.06 56.33 1sqo s HIS 96 Cb -0.11 -3.80 0.45 0.00 -1.18 0.00 0.00 32.58 27.93 1sqo s HIS 96 CO 0.09 -2.94 1.29 0.36 -0.65 0.00 0.00 174.74 172.88 1sqo n LYS 97 N 4.30 0.05 -0.39 2.88 2.85 -1.26 -2.33 118.16 124.26 1sqo n LYS 97 Ca 0.13 0.48 0.07 0.00 -1.05 0.00 0.00 58.31 57.94 1sqo n LYS 97 Cb 0.41 -1.63 0.18 0.00 -0.65 0.00 0.00 35.03 33.34 1sqo n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sqo n ASP 98 N -1.73 2.22 -4.75 -5.58 8.00 -1.26 -5.04 116.55 108.41 1sqo n ASP 98 Ca 0.00 -3.49 -0.34 0.00 0.71 0.00 0.00 54.79 51.67 1sqo n ASP 98 Cb 0.06 -0.50 0.05 0.00 -0.02 0.00 0.00 41.12 40.70 1sqo n ASP 98 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1sqo s TYR 99 N -3.06 2.43 -0.06 1.24 6.14 -0.99 -4.64 117.35 118.41 1sqo s TYR 99 Ca 0.36 1.55 -0.30 0.00 0.64 0.00 0.00 57.07 59.33 1sqo s TYR 99 Cb 0.33 -3.35 0.11 0.00 0.42 0.00 0.00 41.96 39.48 1sqo s TYR 99 CO -0.01 -2.04 0.94 -1.54 0.64 0.00 0.00 175.55 173.54 1sqo s SER 100 N -2.03 -0.35 -0.05 4.32 1.04 -0.98 -4.98 113.70 110.66 1sqo s SER 100 Ca 0.73 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1sqo s SER 100 Cb -0.26 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1sqo s SER 100 CO 0.37 -0.51 -0.03 0.00 0.98 0.00 0.00 173.24 174.05 1sqo s ALA 101 N -2.49 0.69 0.29 5.32 0.00 -1.26 -0.58 121.76 123.72 1sqo s ALA 101 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1sqo s ALA 101 Cb -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1sqo s ALA 101 CO -0.05 -0.17 0.00 -0.25 0.00 0.00 0.00 175.76 175.28 1sqo n ASP 102 N 4.43 0.00 0.05 0.00 9.92 0.12 -5.00 116.55 126.07 1sqo n ASP 102 Ca -0.19 -0.65 0.01 0.00 -0.53 0.00 0.00 54.79 53.43 1sqo n ASP 102 Cb 0.50 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 41.32 1sqo n ASP 102 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1sqo h THR 103 N -0.19 1.19 0.00 -3.53 2.02 -2.03 -3.38 112.91 106.98 1sqo h THR 103 Ca 0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1sqo h THR 103 Cb 0.00 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1sqo h THR 103 CO 0.00 0.25 -0.56 0.18 0.37 0.00 0.00 175.52 175.76 1sqo n LEU 104 N -4.28 0.33 -4.74 2.58 4.77 -1.26 -5.07 117.00 109.33 1sqo n LEU 104 Ca 0.00 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1sqo n LEU 104 Cb 0.25 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1sqo n LEU 104 CO 0.38 -0.31 0.82 0.00 -1.33 0.00 0.00 177.39 176.95 1sqo s ALA 105 N -2.00 3.39 -0.07 -1.18 0.00 -1.26 -4.74 121.76 115.91 1sqo s ALA 105 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1sqo s ALA 105 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1sqo s ALA 105 CO 0.00 -0.25 -0.14 -1.01 0.00 0.00 0.00 175.76 174.36 1sqo s HIS 106 N -0.30 2.73 -0.04 0.00 3.76 -1.26 0.11 115.29 120.28 1sqo s HIS 106 Ca 0.50 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1sqo s HIS 106 Cb -0.31 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1sqo s HIS 106 CO 0.36 0.10 -0.13 -1.01 -0.85 0.00 0.00 174.74 173.21 1sqo s HIS 107 N -0.49 2.73 -1.39 1.40 3.76 0.25 -4.61 115.29 116.93 1sqo s HIS 107 Ca 0.06 -0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1sqo s HIS 107 Cb -0.12 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1sqo s HIS 107 CO 0.02 0.21 0.77 0.09 -0.85 0.00 0.00 174.74 174.98 1sqo n ASN 108 N 2.23 -2.29 -3.75 1.40 3.02 -1.26 -2.31 115.26 112.29 1sqo n ASN 108 Ca -0.17 -0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1sqo n ASN 108 Cb 0.52 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1sqo n ASN 108 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sqo n ASP 109 N -2.98 4.20 -3.79 6.41 4.64 -1.26 -4.45 116.55 119.32 1sqo n ASP 109 Ca -0.19 -2.90 -0.13 0.00 -1.38 0.00 0.00 54.79 50.20 1sqo n ASP 109 Cb 0.63 -1.62 -0.13 0.00 -1.04 0.00 0.00 41.12 38.97 1sqo n ASP 109 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1sqo s ILE 110 N 2.55 -0.01 0.03 5.18 2.07 -1.26 -4.14 121.20 125.62 1sqo s ILE 110 Ca 0.46 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.67 1sqo s ILE 110 Cb 0.13 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.44 1sqo s ILE 110 CO -0.07 0.01 0.12 0.00 -1.91 0.00 0.00 174.94 173.09 1sqo s ALA 111 N 0.33 -0.16 -0.05 1.50 0.00 -0.08 -3.10 121.76 120.18 1sqo s ALA 111 Ca -0.02 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1sqo s ALA 111 Cb -0.03 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1sqo s ALA 111 CO -0.01 -0.30 -0.19 -0.51 0.00 0.00 0.00 175.76 174.75 1sqo s LEU 112 N -1.94 1.94 -0.26 0.00 1.43 -0.10 -0.77 118.68 118.98 1sqo s LEU 112 Ca -0.07 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1sqo s LEU 112 Cb -0.03 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.17 1sqo s LEU 112 CO -0.03 0.16 -0.11 -0.76 0.23 0.00 0.00 176.35 175.84 1sqo s LEU 113 N 0.09 3.46 -0.11 1.79 1.02 0.03 0.07 118.68 125.04 1sqo s LEU 113 Ca -0.06 -1.40 -0.30 0.00 0.02 0.00 0.00 54.13 52.39 1sqo s LEU 113 Cb -0.13 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 1sqo s LEU 113 CO 0.03 -0.19 1.15 -0.75 0.02 0.00 0.00 176.35 176.61 1sqo s LYS 114 N 1.10 4.33 0.23 1.70 2.20 0.25 -1.08 119.74 128.48 1sqo s LYS 114 Ca -0.09 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.15 1sqo s LYS 114 Cb -0.20 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 1sqo s LYS 114 CO -0.05 -0.49 0.27 0.96 -0.36 0.00 0.00 175.35 175.68 1sqo s ILE 115 N 2.55 4.87 -0.27 5.43 -4.36 -0.19 -0.67 121.20 128.56 1sqo s ILE 115 Ca 0.52 -1.15 -0.19 0.00 -0.26 0.00 0.00 60.65 59.58 1sqo s ILE 115 Cb -0.21 -3.62 0.08 0.00 1.25 0.00 0.00 42.46 39.95 1sqo s ILE 115 CO 0.18 -0.31 0.69 -0.60 0.24 0.00 0.00 174.94 175.14 1sqo s ARG 116 N -3.81 0.74 1.06 0.37 3.52 -0.62 -4.58 118.95 115.64 1sqo s ARG 116 Ca 0.33 1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 56.90 1sqo s ARG 116 Cb -0.09 0.23 0.22 0.00 -1.56 0.00 0.00 34.95 33.76 1sqo s ARG 116 CO 0.27 -0.13 1.17 -1.54 -0.81 0.00 0.00 175.30 174.25 1sqo s SER 117 N 1.17 2.17 0.58 -2.12 1.04 0.60 -1.71 113.70 115.43 1sqo s SER 117 Ca -0.06 0.67 0.33 0.00 0.48 0.00 0.00 55.95 57.37 1sqo s SER 117 Cb -0.05 -0.98 1.77 0.00 0.10 0.00 0.00 66.02 66.86 1sqo s SER 117 CO -0.12 -3.36 2.17 0.11 0.98 0.00 0.00 173.24 173.02 1sqo h LYS 118 N -2.06 0.00 -0.01 4.02 1.57 -1.91 -0.55 116.57 117.64 1sqo h LYS 118 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1sqo h LYS 118 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1sqo h LYS 118 CO 0.43 0.05 -0.16 0.39 -0.57 0.00 0.00 179.45 179.59 1sqo n GLU 119 N -3.44 0.73 -0.39 3.15 4.71 -1.26 -4.93 120.64 119.21 1sqo n GLU 119 Ca -0.02 -0.32 0.00 0.00 -0.01 0.00 0.00 57.16 56.81 1sqo n GLU 119 Cb 0.18 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 1sqo n GLU 119 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sqo n GLY 120 N 1.31 0.79 3.85 0.62 0.00 -0.21 -5.08 105.19 106.46 1sqo n GLY 120 Ca 0.13 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1sqo n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqo s ARG 121 N -0.67 3.03 0.22 1.61 0.52 -1.26 -4.75 118.95 117.66 1sqo s ARG 121 Ca 0.00 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1sqo s ARG 121 Cb 0.00 -2.67 0.05 0.00 0.52 0.00 0.00 34.95 32.84 1sqo s ARG 121 CO 0.00 0.44 0.30 0.00 0.02 0.00 0.00 175.30 176.06 1sqo s ALA 123 N -3.19 3.04 -0.42 0.00 0.00 -0.67 -4.79 121.76 115.74 1sqo s ALA 123 Ca 0.19 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 1sqo s ALA 123 Cb -0.01 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.75 1sqo s ALA 123 CO 0.13 -0.79 0.26 -1.14 0.00 0.00 0.00 175.76 174.21 1sqo s GLN 124 N -2.56 2.63 0.32 0.00 2.00 -1.26 -4.83 119.66 115.95 1sqo s GLN 124 Ca 0.62 -1.44 -0.28 0.00 -2.00 0.00 0.00 55.36 52.26 1sqo s GLN 124 Cb -0.33 -3.79 -0.13 0.00 0.80 0.00 0.00 33.01 29.56 1sqo s GLN 124 CO 0.41 -0.94 1.19 -2.30 -0.50 0.00 0.00 175.29 173.14 1sqo n PRO 125 N 4.93 1.82 -0.94 1.67 -0.02 -1.26 -4.87 135.00 136.32 1sqo n PRO 125 Ca -0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1sqo n PRO 125 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1sqo n PRO 125 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sqo n SER 126 N 1.01 0.00 0.22 2.55 3.41 0.43 -4.97 113.62 116.27 1sqo n SER 126 Ca 0.07 -0.68 0.08 0.00 -0.26 0.00 0.00 58.87 58.08 1sqo n SER 126 Cb 0.34 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.79 1sqo n SER 126 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sqo h ARG 127 N 0.00 0.00 -0.06 4.33 2.43 -1.99 -2.95 114.38 116.14 1sqo h ARG 127 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sqo h ARG 127 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1sqo h ARG 127 CO 0.00 0.26 0.00 0.25 -1.51 0.00 0.00 179.97 178.97 1sqo n THR 128 N -3.70 0.26 -3.74 0.20 -2.24 -1.26 -4.81 114.28 99.00 1sqo n THR 128 Ca -0.01 -0.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 1sqo n THR 128 Cb 0.37 0.97 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 1sqo n THR 128 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sqo s ILE 129 N -0.67 0.40 0.02 2.28 1.01 -1.11 -3.72 121.20 119.41 1sqo s ILE 129 Ca 0.09 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1sqo s ILE 129 Cb 0.06 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.81 1sqo s ILE 129 CO 0.09 0.02 0.34 -1.10 0.00 0.00 0.00 174.94 174.29 1sqo s GLN 130 N 1.94 0.80 0.80 2.79 -1.52 -0.30 -0.43 119.66 123.73 1sqo s GLN 130 Ca 0.02 -0.35 -0.12 0.00 -1.95 0.00 0.00 55.36 52.97 1sqo s GLN 130 Cb -0.15 0.35 0.07 0.00 -0.22 0.00 0.00 33.01 33.07 1sqo s GLN 130 CO -0.07 -0.25 1.14 0.95 -0.25 0.00 0.00 175.29 176.81 1sqo s THR 131 N -2.10 2.56 -0.05 -0.19 -4.23 -1.26 -3.14 115.64 107.23 1sqo s THR 131 Ca -0.08 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 1sqo s THR 131 Cb -0.02 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.72 1sqo s THR 131 CO -0.00 -0.24 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.20 1sqo s ILE 132 N -3.40 1.17 0.45 2.99 1.10 -0.64 -4.79 121.20 118.07 1sqo s ILE 132 Ca 0.61 -0.54 -0.23 0.00 -0.51 0.00 0.00 60.65 59.98 1sqo s ILE 132 Cb -0.12 -1.04 -0.08 0.00 0.15 0.00 0.00 42.46 41.37 1sqo s ILE 132 CO 0.51 0.35 1.14 0.00 -2.11 0.00 0.00 174.94 174.84 1sqo s LEU 134 N -2.95 3.42 0.74 0.00 1.43 -1.26 -0.98 118.68 119.07 1sqo s LEU 134 Ca 0.62 1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 55.03 1sqo s LEU 134 Cb -0.27 -4.39 0.06 0.00 0.03 0.00 0.00 46.19 41.62 1sqo s LEU 134 CO 0.33 -0.73 1.08 -2.16 0.23 0.00 0.00 176.35 175.10 1sqo s PRO 135 N -4.74 2.21 0.28 1.29 0.04 -1.26 -4.79 135.00 128.03 1sqo s PRO 135 Ca 0.55 -0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.54 1sqo s PRO 135 Cb -0.11 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1sqo s PRO 135 CO 0.45 -1.33 0.51 -1.54 0.04 0.00 0.00 177.00 175.14 1sqo s SER 136 N -4.51 6.40 0.34 6.66 1.04 -1.26 -4.92 113.70 117.44 1sqo s SER 136 Ca 0.60 0.58 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 1sqo s SER 136 Cb -0.11 -2.09 -0.11 0.00 0.10 0.00 0.00 66.02 63.82 1sqo s SER 136 CO 0.47 -0.18 1.47 -0.04 0.98 0.00 0.00 173.24 175.94 1sqo s MET 137 N -3.67 4.17 -1.38 4.02 -1.94 -1.26 -3.67 119.30 115.57 1sqo s MET 137 Ca 0.42 2.49 -0.04 0.00 -1.71 0.00 0.00 55.69 56.85 1sqo s MET 137 Cb -0.11 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.75 1sqo s MET 137 CO 0.31 -0.48 0.74 0.66 -0.01 0.00 0.00 175.02 176.24 1sqo n TYR 138 N 1.05 -1.98 -2.77 -0.03 4.01 -1.26 -4.97 117.16 111.21 1sqo n TYR 138 Ca 0.03 0.85 -0.09 0.00 -0.16 0.00 0.00 57.90 58.53 1sqo n TYR 138 Cb 0.39 -4.20 0.05 0.00 -0.31 0.00 0.00 39.34 35.28 1sqo n TYR 138 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1sqo n ASN 139 N -2.99 -2.67 -4.96 7.72 5.15 -1.24 -5.15 115.26 111.11 1sqo n ASN 139 Ca -0.21 -3.34 -0.22 0.00 -0.60 0.00 0.00 54.58 50.22 1sqo n ASN 139 Cb 0.64 1.73 -0.02 0.00 -0.53 0.00 0.00 39.78 41.60 1sqo n ASN 139 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1sqo s ASP 140 N -1.62 6.32 0.73 1.20 -0.00 -1.26 -4.67 116.67 117.37 1sqo s ASP 140 Ca 0.31 0.14 -0.15 0.00 -0.00 0.00 0.00 52.55 52.84 1sqo s ASP 140 Cb 0.24 -1.89 0.04 0.00 -0.00 0.00 0.00 42.92 41.30 1sqo s ASP 140 CO -0.21 -0.11 1.22 -2.84 -0.00 0.00 0.00 175.17 173.23 1sqo s PRO 141 N -4.02 2.12 0.71 8.23 0.02 -1.26 -5.00 135.00 135.80 1sqo s PRO 141 Ca 0.35 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 1sqo s PRO 141 Cb -0.09 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.62 1sqo s PRO 141 CO 0.30 -1.86 1.08 1.14 -0.33 0.00 0.00 177.00 177.33 1sqo s GLN 142 N -3.85 2.72 0.50 5.54 -2.07 -1.26 -4.95 119.66 116.28 1sqo s GLN 142 Ca 0.76 1.11 -0.23 0.00 -1.82 0.00 0.00 55.36 55.17 1sqo s GLN 142 Cb -0.31 -1.96 -0.07 0.00 -1.09 0.00 0.00 33.01 29.59 1sqo s GLN 142 CO 0.45 -1.28 1.32 1.97 -1.32 0.00 0.00 175.29 176.43 1sqo n PHE 143 N -3.07 2.22 0.00 9.60 1.16 -1.26 -2.31 117.46 123.80 1sqo n PHE 143 Ca 0.09 0.45 0.00 0.00 -1.87 0.00 0.00 57.45 56.12 1sqo n PHE 143 Cb 0.53 -2.37 0.00 0.00 -1.61 0.00 0.00 39.48 36.03 1sqo n PHE 143 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sqo n GLY 144 N 0.78 2.66 3.76 4.97 0.00 -0.10 -4.97 105.19 112.28 1sqo n GLY 144 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1sqo n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqo s THR 145 N -2.70 2.40 0.03 2.61 2.01 -0.98 -4.60 115.64 114.41 1sqo s THR 145 Ca 0.00 0.36 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 1sqo s THR 145 Cb 0.00 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 1sqo s THR 145 CO 0.00 0.07 0.62 -0.44 -0.69 0.00 0.00 174.62 174.18 1sqo s SER 146 N 0.10 7.06 0.09 3.53 0.01 -1.26 -0.87 113.70 122.35 1sqo s SER 146 Ca 0.56 1.26 0.03 0.00 1.31 0.00 0.00 55.95 59.11 1sqo s SER 146 Cb -0.44 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.37 1sqo s SER 146 CO 0.51 0.14 -0.08 0.00 0.41 0.00 0.00 173.24 174.22 1sqo s GLU 148 N -3.05 2.49 0.09 0.00 -1.05 -0.57 -1.23 118.70 115.37 1sqo s GLU 148 Ca 0.06 -1.06 0.03 0.00 -0.15 0.00 0.00 54.97 53.85 1sqo s GLU 148 Cb -0.00 -2.41 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 1sqo s GLU 148 CO -0.02 0.46 -0.10 0.96 0.95 0.00 0.00 175.26 177.52 1sqo s ILE 149 N -1.72 0.89 -0.00 1.83 -4.36 -0.86 -1.17 121.20 115.81 1sqo s ILE 149 Ca 0.28 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 59.02 1sqo s ILE 149 Cb -0.09 -1.31 -0.00 0.00 1.25 0.00 0.00 42.46 42.31 1sqo s ILE 149 CO 0.19 -0.55 0.09 -0.89 0.24 0.00 0.00 174.94 174.02 1sqo s THR 150 N -2.39 0.07 0.00 8.37 2.01 -1.25 -2.42 115.64 120.03 1sqo s THR 150 Ca 0.04 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1sqo s THR 150 Cb -0.03 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1sqo s THR 150 CO -0.00 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1sqo n GLY 151 N 1.87 0.73 1.79 4.40 0.00 -0.92 -4.53 105.19 108.53 1sqo n GLY 151 Ca -0.20 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.06 1sqo n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqo n PHE 152 N -0.19 1.86 -0.58 1.61 3.72 -1.26 -2.36 117.46 120.25 1sqo n PHE 152 Ca 0.00 -0.68 -0.29 0.00 -0.05 0.00 0.00 57.45 56.42 1sqo n PHE 152 Cb 0.00 -0.41 0.26 0.00 -0.94 0.00 0.00 39.48 38.40 1sqo n PHE 152 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1sqo s GLY 153 N -0.83 1.49 0.64 1.37 0.00 -1.25 -4.14 107.32 104.60 1sqo s GLY 153 Ca 0.54 -0.57 -0.18 0.00 0.00 0.00 0.00 44.72 44.51 1sqo s GLY 153 CO 0.20 0.30 1.29 0.54 0.00 0.00 0.00 173.10 175.42 1sqo s LYS 154 N -4.89 2.58 0.15 2.90 1.02 -0.70 -2.33 119.74 118.47 1sqo s LYS 154 Ca 0.69 2.05 0.22 0.00 0.02 0.00 0.00 55.97 58.94 1sqo s LYS 154 Cb -0.17 -1.85 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1sqo s LYS 154 CO 0.60 -1.57 0.93 0.39 -0.92 0.00 0.00 175.35 174.77 1sqo n GLU 155 N -1.89 0.62 -3.83 1.68 1.02 -1.26 -0.40 120.64 116.58 1sqo n GLU 155 Ca 0.16 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1sqo n GLU 155 Cb 0.48 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1sqo n GLU 155 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1sqo s GLN 156 N -3.35 0.37 0.49 3.49 -1.52 -1.26 -4.30 119.66 113.58 1sqo s GLN 156 Ca -0.02 -0.06 0.14 0.00 -1.95 0.00 0.00 55.36 53.47 1sqo s GLN 156 Cb 0.10 0.16 1.17 0.00 -0.22 0.00 0.00 33.01 34.22 1sqo s GLN 156 CO 0.81 -0.08 2.12 0.77 -0.25 0.00 0.00 175.29 178.67 1sqo h SER 157 N 5.02 0.09 -0.12 5.90 0.02 -1.90 -1.91 113.55 120.65 1sqo h SER 157 Ca -0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1sqo h SER 157 Cb 1.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sqo h SER 157 CO 0.40 0.08 0.00 0.35 -1.14 0.00 0.00 176.83 176.52 1sqo n THR 158 N -4.51 0.15 -2.10 -2.27 -2.24 -1.26 -4.92 114.28 97.13 1sqo n THR 158 Ca -0.02 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 1sqo n THR 158 Cb 0.09 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1sqo n THR 158 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sqo s ASP 159 N -1.65 6.05 -0.01 3.42 -0.00 -0.72 -4.97 116.67 118.79 1sqo s ASP 159 Ca 0.33 1.69 0.08 0.00 -0.00 0.00 0.00 52.55 54.66 1sqo s ASP 159 Cb 0.18 -2.52 -0.12 0.00 -0.00 0.00 0.00 42.92 40.46 1sqo s ASP 159 CO 0.27 -0.99 0.22 0.00 -0.00 0.00 0.00 175.17 174.68 1sqo n TYR 160 N -2.04 0.00 -4.12 4.23 4.11 -1.26 -5.00 117.16 113.08 1sqo n TYR 160 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.76 1sqo n TYR 160 Cb 0.53 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.34 39.68 1sqo n TYR 160 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1sqo s LEU 161 N -3.27 3.64 0.20 -3.48 1.43 -1.26 -5.12 118.68 110.83 1sqo s LEU 161 Ca -0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1sqo s LEU 161 Cb 0.05 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1sqo s LEU 161 CO 0.34 -0.07 0.40 -0.31 0.23 0.00 0.00 176.35 176.94 1sqo s TYR 162 N -2.20 3.48 0.58 0.29 4.12 -1.26 -4.72 117.35 117.64 1sqo s TYR 162 Ca 0.34 0.37 -0.18 0.00 0.02 0.00 0.00 57.07 57.62 1sqo s TYR 162 Cb -0.07 -1.87 -0.04 0.00 -1.52 0.00 0.00 41.96 38.46 1sqo s TYR 162 CO 0.24 0.37 1.12 -1.25 0.02 0.00 0.00 175.55 176.05 1sqo s PRO 163 N -3.30 3.16 0.27 -1.71 0.04 -1.26 -4.92 135.00 127.29 1sqo s PRO 163 Ca 0.39 1.53 0.13 0.00 0.04 0.00 0.00 61.00 63.09 1sqo s PRO 163 Cb -0.11 -1.99 0.30 0.00 0.04 0.00 0.00 34.50 32.74 1sqo s PRO 163 CO 0.29 -0.99 1.56 1.49 0.04 0.00 0.00 177.00 179.39 1sqo h GLU 164 N 0.77 0.00 -5.85 4.56 4.57 -1.97 -3.43 114.58 113.24 1sqo h GLU 164 Ca -0.49 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.02 1sqo h GLU 164 Cb 1.26 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.73 1sqo h GLU 164 CO 0.56 0.60 -0.56 -1.14 -1.18 0.00 0.00 179.01 177.29 1sqo s GLN 165 N -3.32 3.16 0.59 1.92 2.00 -1.26 -0.76 119.66 121.99 1sqo s GLN 165 Ca 0.00 -0.30 -0.20 0.00 -2.00 0.00 0.00 55.36 52.87 1sqo s GLN 165 Cb 0.11 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.93 1sqo s GLN 165 CO 0.75 0.73 1.22 -0.11 -0.50 0.00 0.00 175.29 177.37 1sqo n LEU 167 N 2.03 5.11 -4.28 3.68 7.94 -0.89 -4.86 117.00 125.72 1sqo n LEU 167 Ca -0.19 0.88 -0.15 0.00 -1.11 0.00 0.00 56.01 55.44 1sqo n LEU 167 Cb 0.54 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 1sqo n LEU 167 CO 0.30 -1.11 -0.38 -0.54 -1.11 0.00 0.00 177.39 174.55 1sqo s LYS 168 N -2.99 1.17 0.07 1.96 1.02 -1.00 -1.28 119.74 118.70 1sqo s LYS 168 Ca 0.76 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1sqo s LYS 168 Cb -0.41 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.28 1sqo s LYS 168 CO 0.46 0.02 0.24 0.00 -0.92 0.00 0.00 175.35 175.15 1sqo s MET 169 N -3.79 0.83 0.34 1.68 0.23 -0.61 -2.18 119.30 115.81 1sqo s MET 169 Ca 0.21 -0.75 -0.11 0.00 -1.03 0.00 0.00 55.69 54.01 1sqo s MET 169 Cb 0.04 0.35 0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1sqo s MET 169 CO 0.04 -0.27 0.63 -0.08 -2.03 0.00 0.00 175.02 173.31 1sqo s THR 170 N -3.26 0.00 -0.03 3.16 -1.32 -1.02 -1.72 115.64 111.45 1sqo s THR 170 Ca 0.00 -1.26 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 1sqo s THR 170 Cb 0.02 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1sqo s THR 170 CO -0.08 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.43 1sqo s VAL 171 N -2.96 1.71 0.14 5.08 1.01 -1.26 -2.02 120.40 122.10 1sqo s VAL 171 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1sqo s VAL 171 Cb -0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1sqo s VAL 171 CO 0.14 0.48 0.02 0.68 0.00 0.00 0.00 175.10 176.42 1sqo s VAL 172 N -0.34 0.43 -0.03 2.92 -7.23 -0.36 -4.85 120.40 110.93 1sqo s VAL 172 Ca 0.04 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1sqo s VAL 172 Cb -0.10 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1sqo s VAL 172 CO 0.01 -0.53 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.62 1sqo s LYS 173 N -3.96 2.55 0.43 4.82 1.02 0.05 -0.21 119.74 124.43 1sqo s LYS 173 Ca 0.22 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.28 1sqo s LYS 173 Cb 0.07 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1sqo s LYS 173 CO 0.02 0.62 1.29 -0.51 -0.92 0.00 0.00 175.35 175.85 1sqo s LEU 174 N -0.99 4.14 -0.06 3.17 1.43 -0.05 -1.67 118.68 124.67 1sqo s LEU 174 Ca 0.13 2.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 1sqo s LEU 174 Cb -0.11 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 1sqo s LEU 174 CO 0.03 -0.94 -0.24 -0.63 0.23 0.00 0.00 176.35 174.80 1sqo s ILE 175 N -1.31 2.14 0.96 -0.59 1.01 0.19 -0.93 121.20 122.67 1sqo s ILE 175 Ca 0.59 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1sqo s ILE 175 Cb -0.37 -1.78 0.17 0.00 0.01 0.00 0.00 42.46 40.49 1sqo s ILE 175 CO 0.47 0.57 1.10 -0.94 0.00 0.00 0.00 174.94 176.14 1sqo s SER 176 N -0.19 2.69 0.13 3.58 1.04 -1.26 -4.14 113.70 115.54 1sqo s SER 176 Ca -0.03 1.88 -0.13 0.00 0.48 0.00 0.00 55.95 58.15 1sqo s SER 176 Cb -0.14 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1sqo s SER 176 CO 0.03 -3.19 1.52 -0.74 0.98 0.00 0.00 173.24 171.84 1sqo h HIS 177 N -1.93 0.92 -0.57 5.02 2.76 -1.97 -1.65 115.15 117.72 1sqo h HIS 177 Ca -0.49 -0.22 0.08 0.00 -2.20 0.00 0.00 60.37 57.55 1sqo h HIS 177 Cb 1.28 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 29.96 1sqo h HIS 177 CO 0.44 0.96 0.22 -0.09 -1.30 0.00 0.00 177.93 178.16 1sqo h ARG 178 N 0.62 0.39 -0.31 5.26 9.65 -1.98 -1.29 114.38 126.72 1sqo h ARG 178 Ca 0.10 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1sqo h ARG 178 Cb 0.69 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1sqo h ARG 178 CO 0.05 0.26 -0.15 1.49 2.80 0.00 0.00 179.97 184.42 1sqo h GLU 179 N 0.40 0.65 0.00 0.20 4.81 -1.87 -3.05 114.58 115.72 1sqo h GLU 179 Ca 0.28 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1sqo h GLU 179 Cb 0.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1sqo h GLU 179 CO -0.28 0.87 -0.15 0.00 -0.73 0.00 0.00 179.01 178.72 1sqo n GLN 181 N -3.54 1.38 -1.84 0.00 6.02 -0.51 -1.37 117.38 117.52 1sqo n GLN 181 Ca -0.01 -0.58 -0.35 0.00 -0.01 0.00 0.00 57.00 56.06 1sqo n GLN 181 Cb 0.30 -1.32 0.05 0.00 1.02 0.00 0.00 30.24 30.28 1sqo n GLN 181 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqo s GLN 182 N -1.88 2.78 0.26 -1.09 -1.52 -0.89 -3.46 119.66 113.85 1sqo s GLN 182 Ca 0.28 1.65 -0.02 0.00 -1.95 0.00 0.00 55.36 55.32 1sqo s GLN 182 Cb 0.14 -1.92 0.47 0.00 -0.22 0.00 0.00 33.01 31.48 1sqo s GLN 182 CO 0.22 -1.31 1.80 -1.00 -0.25 0.00 0.00 175.29 174.75 1sqo h PRO 183 N 0.40 0.76 0.00 2.91 0.13 -1.91 -1.25 132.00 133.04 1sqo h PRO 183 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1sqo h PRO 183 Cb 1.28 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sqo h PRO 183 CO 0.54 0.50 0.00 0.72 -0.23 0.00 0.00 178.00 179.53 1sqo n HIS 184 N -4.76 0.39 0.00 1.56 8.25 -1.26 -4.44 115.22 114.97 1sqo n HIS 184 Ca 0.16 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1sqo n HIS 184 Cb 0.34 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1sqo n HIS 184 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqo n TYR 185 N -1.83 0.00 0.05 4.41 4.02 -0.99 -4.76 117.16 118.06 1sqo n TYR 185 Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.96 1sqo n TYR 185 Cb 0.34 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.69 1sqo n TYR 185 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sqo n TYR 186 N 0.00 0.07 -4.37 -0.72 4.01 -0.47 -4.92 117.16 110.76 1sqo n TYR 186 Ca 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1sqo n TYR 186 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1sqo n TYR 186 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqo n GLY 187 N 0.01 1.56 0.00 2.72 0.00 -0.51 -1.99 105.19 106.98 1sqo n GLY 187 Ca 0.03 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1sqo n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqo n SER 188 N -1.97 0.00 0.11 1.61 7.64 -1.26 -3.48 113.62 116.26 1sqo n SER 188 Ca 0.00 -1.53 -0.02 0.00 1.01 0.00 0.00 58.87 58.32 1sqo n SER 188 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1sqo n SER 188 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1sqo h GLU 189 N 0.00 0.15 -5.86 1.43 5.08 -1.79 -3.42 114.58 110.16 1sqo h GLU 189 Ca 0.00 -0.09 -0.59 0.00 -1.00 0.00 0.00 59.36 57.68 1sqo h GLU 189 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1sqo h GLU 189 CO 0.00 0.65 -0.17 0.54 -1.00 0.00 0.00 179.01 179.03 1sqo s VAL 190 N -3.87 5.10 0.48 3.13 0.11 -1.23 -4.83 120.40 119.29 1sqo s VAL 190 Ca -0.03 0.91 0.06 0.00 -2.93 0.00 0.00 61.98 59.99 1sqo s VAL 190 Cb 0.13 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1sqo s VAL 190 CO 0.77 0.44 0.35 0.42 -3.33 0.00 0.00 175.10 173.76 1sqo s THR 191 N -0.15 2.06 -0.04 5.04 -4.23 -1.26 -4.93 115.64 112.13 1sqo s THR 191 Ca 0.25 -1.49 0.30 0.00 -1.18 0.00 0.00 61.69 59.57 1sqo s THR 191 Cb -0.16 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.46 1sqo s THR 191 CO 0.12 0.00 1.91 0.71 -0.54 0.00 0.00 174.62 176.81 1sqo h THR 192 N 0.96 0.00 -0.12 3.99 1.35 -1.99 -1.44 112.91 115.66 1sqo h THR 192 Ca -0.39 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1sqo h THR 192 Cb 1.28 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1sqo h THR 192 CO 0.60 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.16 1sqo n LYS 193 N -2.65 1.33 -4.27 4.72 5.02 -1.26 -4.88 118.16 116.16 1sqo n LYS 193 Ca 0.00 -0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 55.58 1sqo n LYS 193 Cb 0.18 -1.20 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 1sqo n LYS 193 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sqo s MET 194 N -1.85 1.10 -0.07 1.97 -1.94 -0.54 -2.67 119.30 115.29 1sqo s MET 194 Ca 0.17 -1.23 0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1sqo s MET 194 Cb 0.09 -1.16 0.01 0.00 2.01 0.00 0.00 34.83 35.77 1sqo s MET 194 CO 0.13 0.25 -0.17 -1.17 -0.01 0.00 0.00 175.02 174.05 1sqo s LEU 195 N -2.25 1.84 0.16 -0.03 0.20 0.37 -4.81 118.68 114.16 1sqo s LEU 195 Ca 0.09 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 54.48 1sqo s LEU 195 Cb -0.07 -1.04 -0.05 0.00 -0.43 0.00 0.00 46.19 44.60 1sqo s LEU 195 CO 0.04 0.10 0.38 0.00 -0.29 0.00 0.00 176.35 176.58 1sqo s ALA 197 N -1.73 -1.73 0.17 0.00 0.00 -0.63 -0.64 121.76 117.20 1sqo s ALA 197 Ca 0.40 1.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.89 1sqo s ALA 197 Cb -0.12 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.27 1sqo s ALA 197 CO 0.26 -0.34 1.00 0.00 0.00 0.00 0.00 175.76 176.69 1sqo s ALA 198 N -0.10 -1.62 -0.05 0.00 0.00 -0.67 -0.76 121.76 118.56 1sqo s ALA 198 Ca -0.03 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1sqo s ALA 198 Cb -0.03 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1sqo s ALA 198 CO 0.04 -1.05 0.66 0.34 0.00 0.00 0.00 175.76 175.74 1sqo s ASP 199 N -3.14 6.97 0.55 0.00 2.15 -1.26 -0.77 116.67 121.16 1sqo s ASP 199 Ca 0.16 1.16 0.28 0.00 0.43 0.00 0.00 52.55 54.59 1sqo s ASP 199 Cb -0.02 -2.39 1.58 0.00 -0.30 0.00 0.00 42.92 41.79 1sqo s ASP 199 CO 0.04 -0.05 2.14 -0.65 -0.17 0.00 0.00 175.17 176.47 1sqo h PRO 200 N 6.45 0.00 -0.02 4.34 0.11 -1.95 -1.02 132.00 139.92 1sqo h PRO 200 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1sqo h PRO 200 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sqo h PRO 200 CO 0.74 0.08 -0.03 1.04 -0.21 0.00 0.00 178.00 179.61 1sqo n GLN 201 N -3.73 1.66 -3.12 1.05 1.13 -1.26 -4.98 117.38 108.13 1sqo n GLN 201 Ca -0.02 -1.04 -0.22 0.00 -1.94 0.00 0.00 57.00 53.77 1sqo n GLN 201 Cb 0.18 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.07 1sqo n GLN 201 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1sqo n TRP 202 N 0.24 -1.84 0.50 1.08 7.02 -0.39 -4.88 117.44 119.17 1sqo n TRP 202 Ca 0.18 0.46 0.08 0.00 -1.02 0.00 0.00 57.50 57.19 1sqo n TRP 202 Cb 0.39 -3.72 -0.11 0.00 -2.42 0.00 0.00 31.31 25.45 1sqo n TRP 202 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sqo n LYS 203 N -3.81 1.13 -3.92 -0.99 4.76 -1.26 -4.65 118.16 109.42 1sqo n LYS 203 Ca -0.08 -0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 1sqo n LYS 203 Cb 0.59 -1.33 -0.11 0.00 -1.84 0.00 0.00 35.03 32.34 1sqo n LYS 203 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1sqo s THR 204 N -2.80 0.09 -0.02 -0.18 -1.32 -1.26 -4.35 115.64 105.80 1sqo s THR 204 Ca 0.02 -0.75 -0.29 0.00 -1.21 0.00 0.00 61.69 59.46 1sqo s THR 204 Cb 0.12 -0.34 0.11 0.00 -1.51 0.00 0.00 72.50 70.88 1sqo s THR 204 CO 0.70 -0.41 1.29 -0.62 -2.21 0.00 0.00 174.62 173.37 1sqo s ASP 205 N -1.34 -0.02 0.64 8.08 2.15 -0.97 -4.13 116.67 121.08 1sqo s ASP 205 Ca -0.14 -0.18 -0.08 0.00 0.43 0.00 0.00 52.55 52.58 1sqo s ASP 205 Cb -0.08 0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.70 1sqo s ASP 205 CO 0.00 -0.29 0.98 -0.94 -0.17 0.00 0.00 175.17 174.75 1sqo s SER 206 N -3.45 5.49 0.31 -0.34 1.04 -1.26 -1.06 113.70 114.43 1sqo s SER 206 Ca 0.23 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.36 1sqo s SER 206 Cb 0.02 -1.75 0.02 0.00 0.10 0.00 0.00 66.02 64.41 1sqo s SER 206 CO -0.02 -1.19 0.62 0.00 0.98 0.00 0.00 173.24 173.63 1sqo n GLN 208 N -0.47 0.63 0.00 0.00 7.27 -1.26 -0.86 117.38 122.68 1sqo n GLN 208 Ca -0.03 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1sqo n GLN 208 Cb 0.61 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.86 1sqo n GLN 208 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sqo n GLY 209 N 1.64 3.17 0.04 1.69 0.00 -1.26 -1.73 105.19 108.74 1sqo n GLY 209 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1sqo n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqo n ASP 210 N 0.05 0.55 -4.52 1.61 8.00 -0.04 -3.83 116.55 118.36 1sqo n ASP 210 Ca 0.00 -0.32 -0.39 0.00 0.71 0.00 0.00 54.79 54.80 1sqo n ASP 210 Cb 0.00 0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1sqo n ASP 210 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sqo n SER 211 N -1.34 -0.30 0.00 -2.24 7.64 -1.26 -2.58 113.62 113.54 1sqo n SER 211 Ca 0.07 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1sqo n SER 211 Cb 0.34 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1sqo n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqo n GLY 212 N 1.59 2.96 3.71 0.23 0.00 -0.67 -1.54 105.19 111.46 1sqo n GLY 212 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1sqo n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqo s GLY 213 N -1.53 1.58 0.24 -0.02 0.00 -1.07 -3.69 107.32 102.84 1sqo s GLY 213 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 1sqo s GLY 213 CO 0.00 0.27 0.93 2.56 0.00 0.00 0.00 173.10 176.85 1sqo s PRO 214 N -5.01 4.82 -0.36 2.90 0.04 -1.26 -1.07 135.00 135.06 1sqo s PRO 214 Ca 0.64 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1sqo s PRO 214 Cb -0.18 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.18 1sqo s PRO 214 CO 0.57 0.51 0.13 -1.17 0.04 0.00 0.00 177.00 177.08 1sqo s LEU 215 N -1.23 4.57 -0.19 -3.56 2.96 -0.29 -3.77 118.68 117.17 1sqo s LEU 215 Ca 0.41 -1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 52.85 1sqo s LEU 215 Cb -0.25 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1sqo s LEU 215 CO 0.31 -0.40 0.00 -0.69 -1.32 0.00 0.00 176.35 174.26 1sqo s VAL 216 N 1.32 4.04 0.01 1.68 1.01 -0.32 -2.05 120.40 126.10 1sqo s VAL 216 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1sqo s VAL 216 Cb -0.21 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1sqo s VAL 216 CO 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 175.10 175.31 1sqo s SER 218 N -1.03 6.50 -0.06 0.00 0.15 -1.26 -1.25 113.70 116.75 1sqo s SER 218 Ca 0.12 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1sqo s SER 218 Cb -0.10 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1sqo s SER 218 CO 0.02 -0.40 -0.03 -0.22 1.20 0.00 0.00 173.24 173.80 1sqo s LEU 219 N 2.50 1.05 -1.56 3.45 2.96 -0.46 -4.78 118.68 121.84 1sqo s LEU 219 Ca 0.24 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1sqo s LEU 219 Cb -0.15 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.04 1sqo s LEU 219 CO 0.10 -0.11 0.48 0.00 -1.32 0.00 0.00 176.35 175.50 1sqo n GLN 220 N 4.56 -4.14 0.00 1.98 6.02 -1.26 -2.22 117.38 122.31 1sqo n GLN 220 Ca -0.17 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1sqo n GLN 220 Cb 0.50 -5.69 0.00 0.00 1.02 0.00 0.00 30.24 26.08 1sqo n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqo n GLY 221 N -1.38 2.17 3.55 1.08 0.00 -1.26 -5.05 105.19 104.30 1sqo n GLY 221 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1sqo n GLY 221 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqo s ARG 222 N -0.32 3.21 0.14 1.61 3.52 -0.94 -5.07 118.95 121.09 1sqo s ARG 222 Ca 0.00 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 1sqo s ARG 222 Cb 0.00 -2.76 -0.07 0.00 -1.56 0.00 0.00 34.95 30.56 1sqo s ARG 222 CO 0.00 0.47 1.20 -1.64 -0.81 0.00 0.00 175.30 174.52 1sqo s MET 223 N -0.26 4.47 0.02 5.12 -1.94 -1.26 -1.35 119.30 124.10 1sqo s MET 223 Ca 0.04 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 55.86 1sqo s MET 223 Cb -0.13 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.41 1sqo s MET 223 CO 0.02 -0.15 -0.03 0.99 -0.01 0.00 0.00 175.02 175.84 1sqo s THR 224 N 0.37 0.16 -0.94 2.05 2.01 -0.38 -4.33 115.64 114.58 1sqo s THR 224 Ca 0.55 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1sqo s THR 224 Cb -0.32 -0.36 0.06 0.00 0.01 0.00 0.00 72.50 71.90 1sqo s THR 224 CO 0.34 -0.52 1.33 -0.22 -0.69 0.00 0.00 174.62 174.86 1sqo s LEU 225 N -1.55 3.82 0.08 4.42 2.96 -0.16 -1.94 118.68 126.32 1sqo s LEU 225 Ca -0.14 -1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 52.32 1sqo s LEU 225 Cb -0.09 -2.52 -0.26 0.00 0.50 0.00 0.00 46.19 43.81 1sqo s LEU 225 CO -0.01 -1.46 1.15 0.74 -1.32 0.00 0.00 176.35 175.45 1sqo h THR 226 N 6.44 1.47 -4.01 3.68 2.02 -1.74 -3.39 112.91 117.39 1sqo h THR 226 Ca 0.09 -2.96 -0.13 0.00 0.77 0.00 0.00 66.41 64.18 1sqo h THR 226 Cb 1.02 2.89 -0.12 0.00 -1.74 0.00 0.00 68.15 70.20 1sqo h THR 226 CO 1.33 0.87 -0.35 -0.83 0.37 0.00 0.00 175.52 176.91 1sqo s GLY 227 N -4.62 0.74 -0.11 2.16 0.00 -0.96 -2.81 107.32 101.72 1sqo s GLY 227 Ca -0.04 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1sqo s GLY 227 CO 0.89 -0.93 -0.19 -0.42 0.00 0.00 0.00 173.10 172.44 1sqo s ILE 228 N -4.03 1.79 0.12 0.90 -1.09 -1.08 -1.14 121.20 116.67 1sqo s ILE 228 Ca 0.24 -0.83 -0.34 0.00 -2.23 0.00 0.00 60.65 57.50 1sqo s ILE 228 Cb 0.03 -1.59 -0.13 0.00 -1.58 0.00 0.00 42.46 39.19 1sqo s ILE 228 CO 0.05 0.50 1.65 0.52 -1.23 0.00 0.00 174.94 176.43 1sqo n VAL 229 N 3.99 0.12 0.09 2.92 0.31 -0.23 -1.43 118.33 124.09 1sqo n VAL 229 Ca -0.20 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1sqo n VAL 229 Cb 0.52 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1sqo n VAL 229 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sqo n SER 230 N 4.10 0.51 -3.87 4.52 2.88 -0.95 -1.67 113.62 119.15 1sqo n SER 230 Ca 0.18 0.30 -0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1sqo n SER 230 Cb 0.30 0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.72 1sqo n SER 230 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sqo s TRP 231 N -1.96 0.07 -0.29 0.66 1.48 -0.55 -4.95 118.94 113.39 1sqo s TRP 231 Ca 0.00 -0.44 -0.29 0.00 -1.06 0.00 0.00 56.10 54.31 1sqo s TRP 231 Cb 0.00 0.36 0.20 0.00 -1.16 0.00 0.00 33.47 32.87 1sqo s TRP 231 CO 0.00 -1.00 1.38 0.20 -4.06 0.00 0.00 176.95 173.47 1sqo s GLY 232 N -2.94 0.11 -0.30 3.67 0.00 -1.26 0.26 107.32 106.86 1sqo s GLY 232 Ca 0.15 2.88 -0.22 0.00 0.00 0.00 0.00 44.72 47.53 1sqo s GLY 232 CO 0.04 1.12 0.72 -1.60 0.00 0.00 0.00 173.10 173.38 1sqo s ARG 233 N -1.00 3.97 1.50 2.90 6.06 -1.26 -4.86 118.95 126.25 1sqo s ARG 233 Ca 0.09 0.51 0.00 0.00 -2.50 0.00 0.00 55.73 53.83 1sqo s ARG 233 Cb -0.01 -3.71 0.00 0.00 0.06 0.00 0.00 34.95 31.29 1sqo s ARG 233 CO -0.08 -0.60 0.00 0.41 -2.50 0.00 0.00 175.30 172.52 1sqo n GLY 234 N 4.24 -1.46 2.78 8.12 0.00 -1.26 -4.64 105.19 112.97 1sqo n GLY 234 Ca 0.02 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1sqo n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqo n ALA 236 N 5.09 -1.66 -2.82 0.00 0.00 -1.26 -4.83 120.51 115.03 1sqo n ALA 236 Ca -0.08 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1sqo n ALA 236 Cb 0.50 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.33 1sqo n ALA 236 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sqo s LEU 237 N -6.92 4.18 0.23 0.00 0.20 -1.26 -4.67 118.68 110.44 1sqo s LEU 237 Ca 0.31 0.34 -0.31 0.00 0.69 0.00 0.00 54.13 55.16 1sqo s LEU 237 Cb -0.15 -2.03 -0.14 0.00 -0.43 0.00 0.00 46.19 43.44 1sqo s LEU 237 CO 0.78 0.34 1.32 1.17 -0.29 0.00 0.00 176.35 179.66 1sqo n LYS 238 N 2.47 1.78 -1.35 1.98 4.81 -1.26 -2.31 118.16 124.28 1sqo n LYS 238 Ca -0.19 0.63 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1sqo n LYS 238 Cb 0.54 -2.23 -0.05 0.00 0.02 0.00 0.00 35.03 33.31 1sqo n LYS 238 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sqo n ASP 239 N 1.99 -5.12 -3.70 3.14 8.00 -1.26 -4.96 116.55 114.63 1sqo n ASP 239 Ca 0.12 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 1sqo n ASP 239 Cb 0.30 -3.68 -0.13 0.00 -0.02 0.00 0.00 41.12 37.59 1sqo n ASP 239 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sqo s LYS 240 N -2.90 1.33 0.98 -1.24 -0.14 -0.98 -4.09 119.74 112.70 1sqo s LYS 240 Ca 0.00 -2.09 -0.12 0.00 -1.36 0.00 0.00 55.97 52.40 1sqo s LYS 240 Cb 0.00 -2.33 0.18 0.00 -1.68 0.00 0.00 37.83 34.00 1sqo s LYS 240 CO 0.00 -1.19 1.10 -2.14 -0.76 0.00 0.00 175.35 172.36 1sqo s PRO 241 N 0.23 0.56 0.48 -1.68 0.02 -1.26 -4.46 135.00 128.89 1sqo s PRO 241 Ca 0.19 0.52 -0.19 0.00 0.02 0.00 0.00 61.00 61.54 1sqo s PRO 241 Cb -0.21 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1sqo s PRO 241 CO -0.02 -2.65 0.99 0.20 -0.33 0.00 0.00 177.00 175.19 1sqo s GLY 242 N -3.51 2.29 -0.03 0.52 0.00 0.06 -4.54 107.32 102.11 1sqo s GLY 242 Ca 0.65 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.81 1sqo s GLY 242 CO 0.57 0.67 -0.24 0.14 0.00 0.00 0.00 173.10 174.24 1sqo s VAL 243 N -2.30 1.92 0.01 1.40 1.01 0.14 -1.60 120.40 120.98 1sqo s VAL 243 Ca 0.62 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1sqo s VAL 243 Cb -0.11 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1sqo s VAL 243 CO 0.22 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.42 1sqo s TYR 244 N -0.43 1.16 0.17 5.22 2.02 0.11 -1.49 117.35 124.11 1sqo s TYR 244 Ca 0.05 -0.26 -0.32 0.00 -0.37 0.00 0.00 57.07 56.18 1sqo s TYR 244 Cb -0.11 -0.73 -0.10 0.00 -0.40 0.00 0.00 41.96 40.62 1sqo s TYR 244 CO 0.00 -0.00 1.59 0.99 -1.57 0.00 0.00 175.55 176.56 1sqo s THR 245 N -0.48 2.58 -0.80 -0.71 2.01 -0.51 -0.48 115.64 117.25 1sqo s THR 245 Ca 0.04 0.41 -0.22 0.00 0.31 0.00 0.00 61.69 62.22 1sqo s THR 245 Cb -0.06 -3.26 0.08 0.00 0.01 0.00 0.00 72.50 69.27 1sqo s THR 245 CO 0.00 0.03 1.10 -0.60 -0.69 0.00 0.00 174.62 174.47 1sqo s ARG 246 N 1.20 3.33 0.33 4.92 3.52 -1.09 -2.63 118.95 128.53 1sqo s ARG 246 Ca 0.71 -1.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.30 1sqo s ARG 246 Cb -0.44 -4.58 0.91 0.00 -1.56 0.00 0.00 34.95 29.27 1sqo s ARG 246 CO 0.31 -1.88 1.74 0.28 -0.81 0.00 0.00 175.30 174.94 1sqo h VAL 247 N 6.04 0.54 -0.54 7.11 2.07 -1.80 -1.45 116.25 128.22 1sqo h VAL 247 Ca -0.09 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.36 1sqo h VAL 247 Cb 1.05 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1sqo h VAL 247 CO 1.20 0.10 0.37 0.77 0.02 0.00 0.00 177.57 180.03 1sqo h SER 248 N 0.57 0.17 0.04 0.57 4.64 -1.87 0.13 113.55 117.79 1sqo h SER 248 Ca 0.64 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.87 1sqo h SER 248 Cb 1.25 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1sqo h SER 248 CO -0.45 0.09 -0.28 -0.74 -0.87 0.00 0.00 176.83 174.58 1sqo h HIS 249 N 0.18 0.43 -0.39 4.77 6.17 -1.64 -3.23 115.15 121.44 1sqo h HIS 249 Ca 0.25 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1sqo h HIS 249 Cb 0.76 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.58 1sqo h HIS 249 CO -0.00 0.63 0.00 1.19 0.71 0.00 0.00 177.93 180.46 1sqo n PHE 250 N -4.11 0.88 -0.21 5.26 3.01 0.46 -4.48 117.46 118.26 1sqo n PHE 250 Ca -0.01 -0.35 -0.03 0.00 1.01 0.00 0.00 57.45 58.07 1sqo n PHE 250 Cb 0.41 -0.16 0.07 0.00 -0.01 0.00 0.00 39.48 39.80 1sqo n PHE 250 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1sqo h LEU 251 N 2.44 0.51 -0.71 4.37 3.38 -1.57 -0.39 115.31 123.34 1sqo h LEU 251 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sqo h LEU 251 Cb 0.94 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1sqo h LEU 251 CO 0.13 0.34 0.42 -0.65 0.09 0.00 0.00 178.44 178.77 1sqo h PRO 252 N 0.64 0.77 -0.41 1.13 0.11 -1.88 -1.36 132.00 130.99 1sqo h PRO 252 Ca 0.26 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 1sqo h PRO 252 Cb 0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1sqo h PRO 252 CO -0.16 0.51 -0.29 2.35 -0.21 0.00 0.00 178.00 180.20 1sqo h TRP 253 N 0.79 1.05 -0.39 0.65 7.01 -1.81 -2.10 115.95 121.15 1sqo h TRP 253 Ca 0.30 -0.27 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 1sqo h TRP 253 Cb 0.13 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1sqo h TRP 253 CO -0.06 1.07 0.05 0.82 -2.79 0.00 0.00 178.44 177.53 1sqo h ILE 254 N 0.76 1.25 -0.41 2.65 2.04 -0.59 -2.14 117.51 121.08 1sqo h ILE 254 Ca 0.09 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 64.92 1sqo h ILE 254 Cb 0.85 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1sqo h ILE 254 CO 0.08 0.31 -0.27 -0.09 0.00 0.00 0.00 178.15 178.17 1sqo h ARG 255 N 0.49 0.86 -0.46 2.37 2.43 -1.27 -1.40 114.38 117.40 1sqo h ARG 255 Ca 0.12 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1sqo h ARG 255 Cb 0.39 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1sqo h ARG 255 CO 0.01 1.02 -0.17 1.03 -1.51 0.00 0.00 179.97 180.35 1sqo h SER 256 N 0.73 0.91 0.43 -3.80 0.87 -1.29 -3.01 113.55 108.40 1sqo h SER 256 Ca 0.09 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1sqo h SER 256 Cb 0.82 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1sqo h SER 256 CO 0.07 1.07 -0.39 1.41 -0.53 0.00 0.00 176.83 178.46 1sqo n HIS 257 N -4.13 0.00 0.81 2.24 8.25 -0.81 -5.11 115.22 116.47 1sqo n HIS 257 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1sqo n HIS 257 Cb 0.42 -0.22 0.08 0.00 1.12 0.00 0.00 29.99 31.40 1sqo n HIS 257 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23