#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqy n HIS 2 N 0.00 0.06 -4.11 2.03 -0.00 -1.26 -5.18 115.22 106.76 2rqy n HIS 2 Ca 0.00 -1.20 -0.12 0.00 -0.00 0.00 0.00 57.72 56.41 2rqy n HIS 2 Cb 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.91 2rqy n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rqy s HIS 3 N -2.24 0.88 0.20 4.41 4.02 -1.26 -5.18 115.29 116.12 2rqy s HIS 3 Ca 0.09 -1.13 -0.03 0.00 1.02 0.00 0.00 55.06 55.01 2rqy s HIS 3 Cb 0.00 -0.21 0.01 0.00 -1.02 0.00 0.00 32.58 31.36 2rqy s HIS 3 CO 0.07 -0.86 0.32 0.72 1.02 0.00 0.00 174.74 176.00 2rqy n HIS 4 N -0.38 -1.20 -4.03 1.40 -0.00 -1.26 -5.19 115.22 104.56 2rqy n HIS 4 Ca 0.01 -1.25 -0.14 0.00 -0.00 0.00 0.00 57.72 56.33 2rqy n HIS 4 Cb 0.64 0.36 -0.02 0.00 -0.00 0.00 0.00 29.99 30.97 2rqy n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2rqy s HIS 5 N -4.19 0.93 0.00 4.41 -0.00 -1.26 -5.19 115.29 109.99 2rqy s HIS 5 Ca 0.14 -1.24 -0.00 0.00 -0.00 0.00 0.00 55.06 53.96 2rqy s HIS 5 Cb -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 32.58 32.67 2rqy s HIS 5 CO 0.10 -1.25 0.01 1.58 -0.00 0.00 0.00 174.74 175.18 2rqy n HIS 6 N -0.58 -0.68 -3.51 0.38 -0.00 -1.26 -5.19 115.22 104.38 2rqy n HIS 6 Ca -0.01 -0.01 -0.14 0.00 0.46 0.00 0.00 57.72 58.02 2rqy n HIS 6 Cb 0.61 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.44 2rqy n HIS 6 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rqy s HIS 7 N -6.68 -0.54 0.29 1.57 5.04 -1.26 -5.07 115.29 108.63 2rqy s HIS 7 Ca 0.00 0.78 -0.11 0.00 -1.54 0.00 0.00 55.06 54.19 2rqy s HIS 7 Cb -0.00 0.46 0.01 0.00 0.04 0.00 0.00 32.58 33.08 2rqy s HIS 7 CO 0.00 -0.58 0.53 0.96 -2.34 0.00 0.00 174.74 173.30 2rqy s ILE 8 N -1.83 0.00 -0.00 0.89 -4.36 -1.26 -5.17 121.20 109.46 2rqy s ILE 8 Ca -0.05 -1.39 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 2rqy s ILE 8 Cb -0.00 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.37 2rqy s ILE 8 CO 0.02 0.00 0.58 -1.84 0.24 0.00 0.00 174.94 173.94 2rqy n GLU 9 N -0.45 0.10 0.00 0.37 0.28 -1.26 -4.98 120.64 114.71 2rqy n GLU 9 Ca -0.02 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 2rqy n GLU 9 Cb 0.61 0.61 0.00 0.00 1.43 0.00 0.00 31.44 34.10 2rqy n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqy n GLY 10 N -0.42 2.70 0.04 -1.84 0.00 -1.26 -4.89 105.19 99.52 2rqy n GLY 10 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 2rqy n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rqy n ARG 11 N 0.00 2.35 0.15 1.61 3.00 -1.26 -4.34 116.66 118.17 2rqy n ARG 11 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.85 57.70 2rqy n ARG 11 Cb 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 32.46 31.14 2rqy n ARG 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2rqy h HIS 12 N 0.00 -0.39 0.00 -1.55 2.76 -1.96 -1.64 115.15 112.37 2rqy h HIS 12 Ca -0.24 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2rqy h HIS 12 Cb 1.51 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 30.60 2rqy h HIS 12 CO 0.00 -0.04 -0.00 1.98 -1.30 0.00 0.00 177.93 178.56 2rqy h MET 13 N -0.81 0.00 -2.48 5.26 -1.53 -1.97 -3.31 114.93 110.08 2rqy h MET 13 Ca -0.04 0.00 -0.59 0.00 -3.44 0.00 0.00 59.70 55.63 2rqy h MET 13 Cb 0.52 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.18 2rqy h MET 13 CO 0.07 0.00 -0.91 -0.51 0.14 0.00 0.00 176.91 175.70 2rqy s LEU 14 N -7.92 1.24 0.96 3.39 1.43 -1.15 -5.10 118.68 111.53 2rqy s LEU 14 Ca -0.05 -2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 50.27 2rqy s LEU 14 Cb 0.15 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.98 2rqy s LEU 14 CO 0.57 -0.24 0.35 0.54 0.23 0.00 0.00 176.35 177.80 2rqy n ARG 15 N 3.42 -0.37 0.19 1.70 3.00 -0.63 -4.51 116.66 119.46 2rqy n ARG 15 Ca 0.21 -0.07 0.14 0.00 -0.01 0.00 0.00 57.85 58.12 2rqy n ARG 15 Cb 0.42 -1.82 0.57 0.00 0.00 0.00 0.00 32.46 31.63 2rqy n ARG 15 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2rqy h PRO 16 N -1.58 0.00 0.00 5.56 0.13 -1.97 -3.48 132.00 130.66 2rqy h PRO 16 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2rqy h PRO 16 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rqy h PRO 16 CO 0.34 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.52 2rqy n GLY 17 N -0.02 1.44 0.81 1.56 0.00 -1.26 -4.95 105.19 102.76 2rqy n GLY 17 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2rqy n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rqy n ASP 18 N 0.00 0.00 -4.47 1.61 8.00 -1.26 -5.12 116.55 115.31 2rqy n ASP 18 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2rqy n ASP 18 Cb 0.00 0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 41.18 2rqy n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rqy n GLU 20 N 3.97 0.00 -1.97 0.00 2.13 -1.26 -5.11 120.64 118.41 2rqy n GLU 20 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 2rqy n GLU 20 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2rqy n GLU 20 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rqy n VAL 21 N 0.00-10.88 -2.43 6.31 0.31 -1.26 -4.95 118.33 105.43 2rqy n VAL 21 Ca 0.00 2.50 -0.17 0.00 -0.01 0.00 0.00 64.34 66.66 2rqy n VAL 21 Cb 0.00 -5.26 0.09 0.00 -0.91 0.00 0.00 33.84 27.76 2rqy n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rqy n ILE 23 N -2.51 3.17 0.05 0.00 -0.00 -1.26 -4.70 119.36 114.10 2rqy n ILE 23 Ca 0.12 -0.49 -0.11 0.00 -0.00 0.00 0.00 62.75 62.26 2rqy n ILE 23 Cb 0.42 -0.97 -0.04 0.00 -0.00 0.00 0.00 39.64 39.05 2rqy n ILE 23 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2rqy h SER 24 N 0.30 -0.85 0.70 4.38 0.87 -1.98 0.14 113.55 117.12 2rqy h SER 24 Ca -0.47 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2rqy h SER 24 Cb 1.38 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2rqy h SER 24 CO 0.49 -0.34 -0.41 0.22 -0.53 0.00 0.00 176.83 176.25 2rqy h TYR 25 N -0.41 -1.10 -1.01 2.24 5.03 -1.97 0.31 116.97 120.08 2rqy h TYR 25 Ca 0.07 -0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.61 2rqy h TYR 25 Cb 0.51 0.39 -0.12 0.00 1.55 0.00 0.00 36.73 39.06 2rqy h TYR 25 CO -0.33 -0.63 0.60 -0.07 -1.32 0.00 0.00 178.16 176.41 2rqy h LEU 26 N -1.05 0.68 -0.32 2.82 -0.00 -1.88 0.50 115.31 116.06 2rqy h LEU 26 Ca -0.09 0.13 -0.18 0.00 -0.00 0.00 0.00 57.88 57.74 2rqy h LEU 26 Cb 0.84 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.49 2rqy h LEU 26 CO 0.10 0.13 -0.84 1.23 -0.00 0.00 0.00 178.44 179.06 2rqy h GLY 27 N 0.60 0.04 1.71 0.83 0.00 -0.31 -3.12 103.07 102.82 2rqy h GLY 27 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2rqy h GLY 27 CO -0.45 0.06 -0.18 -0.96 0.00 0.00 0.00 176.54 175.02 2rqy n ARG 28 N -3.57 0.15 0.12 4.80 1.85 0.11 -3.33 116.66 116.78 2rqy n ARG 28 Ca -0.01 0.09 -0.08 0.00 -1.00 0.00 0.00 57.85 56.86 2rqy n ARG 28 Cb 0.80 -1.64 -0.04 0.00 -1.05 0.00 0.00 32.46 30.53 2rqy n ARG 28 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2rqy h PHE 29 N 0.00 -0.36 -0.02 2.89 3.04 -0.12 -3.23 116.94 119.14 2rqy h PHE 29 Ca 0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2rqy h PHE 29 Cb 0.63 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.25 2rqy h PHE 29 CO 0.00 -0.13 -0.10 0.10 -2.02 0.00 0.00 178.31 176.15 2rqy h TYR 30 N -1.06 0.03 -0.09 0.41 -0.00 -1.69 -1.73 116.97 112.83 2rqy h TYR 30 Ca -0.04 -0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.72 2rqy h TYR 30 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 37.10 2rqy h TYR 30 CO 0.02 0.13 0.07 0.37 -0.00 0.00 0.00 178.16 178.75 2rqy h GLN 31 N 0.02 0.00 0.17 0.10 4.15 -1.62 -1.82 115.11 116.11 2rqy h GLN 31 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.11 2rqy h GLN 31 Cb 0.20 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.90 2rqy h GLN 31 CO 0.01 0.00 -1.50 -0.44 -1.93 0.00 0.00 178.83 174.97 2rqy h ASP 32 N 0.00 0.56 -0.62 -0.69 3.32 -1.33 -2.95 116.42 114.70 2rqy h ASP 32 Ca 0.04 -0.69 0.02 0.00 0.02 0.00 0.00 57.03 56.43 2rqy h ASP 32 Cb 0.18 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2rqy h ASP 32 CO -0.00 1.56 0.39 -0.07 -1.72 0.00 0.00 179.24 179.40 2rqy h LEU 33 N 0.10 0.64 -0.09 1.55 3.38 -1.19 -1.14 115.31 118.54 2rqy h LEU 33 Ca -0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2rqy h LEU 33 Cb 2.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2rqy h LEU 33 CO 0.20 0.45 0.00 1.17 0.09 0.00 0.00 178.44 180.35 2rqy n LYS 34 N -4.71 0.25 -0.83 1.13 4.81 -0.84 -3.14 118.16 114.82 2rqy n LYS 34 Ca 0.06 0.24 -0.10 0.00 -0.87 0.00 0.00 58.31 57.63 2rqy n LYS 34 Cb 0.07 -1.81 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 2rqy n LYS 34 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2rqy n ASP 35 N -2.24 5.77 -3.81 3.14 2.03 -0.45 -4.74 116.55 116.25 2rqy n ASP 35 Ca 0.05 -2.70 -0.29 0.00 0.52 0.00 0.00 54.79 52.37 2rqy n ASP 35 Cb 0.40 -1.18 -0.03 0.00 -0.72 0.00 0.00 41.12 39.59 2rqy n ASP 35 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rqy n ARG 36 N 1.31 -2.58 -0.04 -0.67 1.74 -1.25 -4.77 116.66 110.41 2rqy n ARG 36 Ca 0.23 0.30 -0.03 0.00 -0.77 0.00 0.00 57.85 57.57 2rqy n ARG 36 Cb 0.61 -4.95 -0.06 0.00 -1.02 0.00 0.00 32.46 27.03 2rqy n ARG 36 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rqy n ASP 37 N -2.34 2.99 -3.81 0.55 -0.08 -1.13 -5.05 116.55 107.69 2rqy n ASP 37 Ca 0.05 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.21 2rqy n ASP 37 Cb 0.50 0.77 -0.09 0.00 2.34 0.00 0.00 41.12 44.63 2rqy n ASP 37 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2rqy s VAL 38 N -2.23 0.07 0.33 5.18 1.01 -1.19 -4.95 120.40 118.62 2rqy s VAL 38 Ca -0.04 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 2rqy s VAL 38 Cb 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2rqy s VAL 38 CO 0.34 -0.31 0.90 -0.89 0.00 0.00 0.00 175.10 175.14 2rqy s THR 39 N -1.33 4.32 -1.39 3.92 2.01 -1.26 -4.49 115.64 117.41 2rqy s THR 39 Ca -0.14 1.64 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 2rqy s THR 39 Cb -0.06 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2rqy s THR 39 CO 0.03 0.04 2.68 0.49 -0.69 0.00 0.00 174.62 177.18 2rqy n PHE 40 N 0.30 2.07 -4.29 4.92 3.72 -1.26 -4.02 117.46 118.89 2rqy n PHE 40 Ca 0.02 -2.72 -0.21 0.00 -0.05 0.00 0.00 57.45 54.49 2rqy n PHE 40 Cb 0.51 -2.22 -0.12 0.00 -0.94 0.00 0.00 39.48 36.71 2rqy n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2rqy s SER 41 N 2.58 2.39 0.00 4.37 0.01 -1.26 -4.61 113.70 117.18 2rqy s SER 41 Ca 0.60 -0.79 0.15 0.00 1.31 0.00 0.00 55.95 57.22 2rqy s SER 41 Cb 0.15 -0.12 0.70 0.00 0.21 0.00 0.00 66.02 66.97 2rqy s SER 41 CO -0.05 -0.05 1.42 -0.81 0.41 0.00 0.00 173.24 174.17 2rqy n PRO 42 N 0.62 0.14 -0.06 12.44 -0.04 -1.25 -1.04 135.00 145.81 2rqy n PRO 42 Ca -0.16 0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2rqy n PRO 42 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2rqy n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rqy n ALA 43 N -1.35 1.73 0.16 0.55 0.00 -1.26 -3.87 120.51 116.46 2rqy n ALA 43 Ca 0.06 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.93 2rqy n ALA 43 Cb 0.13 0.10 0.07 0.00 0.00 0.00 0.00 19.45 19.75 2rqy n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2rqy h THR 44 N 0.00 0.33 0.05 0.00 2.02 -1.79 -3.09 112.91 110.42 2rqy h THR 44 Ca -0.29 -1.49 -0.34 0.00 0.77 0.00 0.00 66.41 65.06 2rqy h THR 44 Cb 1.57 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 2rqy h THR 44 CO -0.01 0.19 -1.97 -0.38 0.37 0.00 0.00 175.52 173.71 2rqy n ILE 45 N -3.05 1.64 0.24 3.11 5.41 -0.21 -4.08 119.36 122.44 2rqy n ILE 45 Ca 0.01 -0.73 0.13 0.00 1.00 0.00 0.00 62.75 63.17 2rqy n ILE 45 Cb 0.63 -1.29 0.53 0.00 -0.71 0.00 0.00 39.64 38.81 2rqy n ILE 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2rqy h GLU 46 N 0.03 0.00 0.00 0.38 4.11 -1.67 -1.23 114.58 116.19 2rqy h GLU 46 Ca -0.40 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.94 2rqy h GLU 46 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2rqy h GLU 46 CO 0.06 0.12 -0.43 1.05 0.07 0.00 0.00 179.01 179.88 2rqy h GLU 47 N 0.00 0.00 0.05 1.06 4.11 -1.68 -2.43 114.58 115.68 2rqy h GLU 47 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 2rqy h GLU 47 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2rqy h GLU 47 CO 0.02 0.43 -2.12 0.39 0.07 0.00 0.00 179.01 177.80 2rqy n GLU 48 N -3.43 0.69 -0.15 1.06 -0.58 -1.04 -4.22 120.64 112.98 2rqy n GLU 48 Ca 0.00 0.20 -0.10 0.00 -0.42 0.00 0.00 57.16 56.84 2rqy n GLU 48 Cb 0.59 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.80 2rqy n GLU 48 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2rqy h LEU 49 N 0.03 0.70 -0.93 -4.62 5.85 -1.29 -2.91 115.31 112.14 2rqy h LEU 49 Ca -0.45 -0.28 0.17 0.00 0.84 0.00 0.00 57.88 58.16 2rqy h LEU 49 Cb 2.03 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.77 2rqy h LEU 49 CO 0.03 0.80 0.51 -0.29 -0.34 0.00 0.00 178.44 179.16 2rqy h ILE 50 N 0.57 0.69 -0.50 4.05 2.10 -1.63 0.99 117.51 123.78 2rqy h ILE 50 Ca 0.13 -0.23 -0.03 0.00 1.08 0.00 0.00 64.86 65.80 2rqy h ILE 50 Cb 0.42 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.09 2rqy h ILE 50 CO 0.01 0.12 0.18 0.11 -1.08 0.00 0.00 178.15 177.50 2rqy h LYS 51 N 0.67 0.76 -0.46 2.19 1.79 -1.69 0.21 116.57 120.04 2rqy h LYS 51 Ca 0.53 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.76 2rqy h LYS 51 Cb 0.80 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2rqy h LYS 51 CO -0.39 0.69 -0.06 0.74 -1.08 0.00 0.00 179.45 179.35 2rqy h PHE 52 N 0.67 0.86 -0.03 -1.35 0.04 -0.95 0.30 116.94 116.48 2rqy h PHE 52 Ca 0.16 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2rqy h PHE 52 Cb 0.22 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2rqy h PHE 52 CO 0.01 0.83 -0.08 0.00 -0.60 0.00 0.00 178.31 178.47 2rqy h ARG 54 N -0.47 0.00 -0.35 0.00 2.43 -0.55 -2.69 114.38 112.75 2rqy h ARG 54 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2rqy h ARG 54 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2rqy h ARG 54 CO 0.02 0.33 0.00 -1.91 -1.51 0.00 0.00 179.97 176.90 2rqy n GLU 55 N -3.75 3.40 -2.37 0.20 2.13 0.10 -5.01 120.64 115.34 2rqy n GLU 55 Ca -0.01 -2.89 -0.34 0.00 0.66 0.00 0.00 57.16 54.58 2rqy n GLU 55 Cb 0.42 -1.92 -0.02 0.00 0.27 0.00 0.00 31.44 30.20 2rqy n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rqy s ALA 56 N -2.71 2.81 -0.01 4.31 0.00 0.86 -4.91 121.76 122.10 2rqy s ALA 56 Ca 0.45 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 2rqy s ALA 56 Cb 0.35 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2rqy s ALA 56 CO 0.11 -0.52 0.30 1.03 0.00 0.00 0.00 175.76 176.68 2rqy s ARG 57 N -3.46 0.65 7.97 0.00 0.52 -1.26 -4.46 118.95 118.91 2rqy s ARG 57 Ca 0.67 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2rqy s ARG 57 Cb -0.17 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.59 2rqy s ARG 57 CO 0.25 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.81 2rqy n GLY 58 N 1.31 3.73 0.30 -3.53 0.00 -1.26 -1.25 105.19 104.49 2rqy n GLY 58 Ca -0.22 -0.06 0.20 0.00 0.00 0.00 0.00 46.02 45.95 2rqy n GLY 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2rqy h LYS 59 N 0.00 0.00 0.17 1.61 -0.00 -2.00 -1.30 116.57 115.06 2rqy h LYS 59 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 60.65 60.34 2rqy h LYS 59 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.26 2rqy h LYS 59 CO 0.00 0.00 -1.33 1.49 -0.00 0.00 0.00 179.45 179.61 2rqy h GLU 60 N 0.00 0.55 -0.60 0.07 4.22 -1.55 -3.16 114.58 114.11 2rqy h GLU 60 Ca 0.00 -0.82 -0.01 0.00 0.08 0.00 0.00 59.36 58.60 2rqy h GLU 60 Cb 0.01 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2rqy h GLU 60 CO 0.00 1.38 0.31 -0.97 -2.18 0.00 0.00 179.01 177.55 2rqy h ASN 61 N 0.20 0.74 1.20 1.04 -0.73 -1.27 -0.85 115.58 115.92 2rqy h ASN 61 Ca -0.21 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.90 2rqy h ASN 61 Cb 2.02 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.42 2rqy h ASN 61 CO 0.25 0.61 0.00 0.08 -0.37 0.00 0.00 177.43 178.00 2rqy h ARG 62 N 0.83 0.00 0.09 6.67 0.11 -1.60 -3.21 114.38 117.27 2rqy h ARG 62 Ca 0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 2rqy h ARG 62 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2rqy h ARG 62 CO -0.03 0.00 -0.04 -0.07 0.10 0.00 0.00 179.97 179.92 2rqy h LEU 63 N 0.00 -0.10 -1.99 0.08 4.07 -1.12 -3.15 115.31 113.09 2rqy h LEU 63 Ca 0.00 -0.26 0.25 0.00 0.08 0.00 0.00 57.88 57.95 2rqy h LEU 63 Cb 0.60 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 2rqy h LEU 63 CO 0.00 0.50 0.61 0.00 -1.08 0.00 0.00 178.44 178.47 2rqy h TYR 65 N 0.01 0.97 0.00 0.00 3.20 -1.62 -0.10 116.97 119.42 2rqy h TYR 65 Ca 0.40 -0.27 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 2rqy h TYR 65 Cb 1.61 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 2rqy h TYR 65 CO -0.00 1.05 -0.65 -0.92 -1.64 0.00 0.00 178.16 176.00 2rqy h TYR 66 N 0.68 0.00 0.00 -3.82 5.03 -0.51 -3.17 116.97 115.18 2rqy h TYR 66 Ca 0.07 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.25 2rqy h TYR 66 Cb 0.91 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2rqy h TYR 66 CO 0.05 0.65 -0.73 0.82 -1.32 0.00 0.00 178.16 177.63 2rqy h ILE 67 N 0.00 0.90 -2.12 1.81 2.04 -1.02 -3.49 117.51 115.64 2rqy h ILE 67 Ca -0.01 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2rqy h ILE 67 Cb 1.33 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2rqy h ILE 67 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.36 2rqy n GLY 68 N 1.27 0.62 0.02 5.37 0.00 -0.11 -4.59 105.19 107.77 2rqy n GLY 68 Ca -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.63 2rqy n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rqy n ALA 69 N -1.06 1.78 -2.42 4.61 0.00 -0.81 -1.73 120.51 120.88 2rqy n ALA 69 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 53.44 52.19 2rqy n ALA 69 Cb 0.45 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 2rqy n ALA 69 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2rqy s THR 70 N -0.89 2.12 0.19 0.00 -1.32 -1.26 -4.86 115.64 109.62 2rqy s THR 70 Ca 0.03 -2.22 -0.11 0.00 -1.21 0.00 0.00 61.69 58.17 2rqy s THR 70 Cb 0.03 -2.12 0.12 0.00 -1.51 0.00 0.00 72.50 69.01 2rqy s THR 70 CO 0.00 -0.42 1.83 0.44 -2.21 0.00 0.00 174.62 174.26 2rqy h ASP 71 N 2.62 0.82 -0.96 8.08 5.19 -1.97 -1.40 116.42 128.80 2rqy h ASP 71 Ca -0.40 -0.07 0.09 0.00 -0.62 0.00 0.00 57.03 56.03 2rqy h ASP 71 Cb 1.23 -0.21 -0.08 0.00 0.18 0.00 0.00 39.33 40.46 2rqy h ASP 71 CO 0.58 0.65 0.60 0.44 -3.12 0.00 0.00 179.24 178.38 2rqy h ASP 72 N 0.92 0.91 -0.01 6.45 3.32 -2.00 0.25 116.42 126.26 2rqy h ASP 72 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2rqy h ASP 72 Cb -0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2rqy h ASP 72 CO -0.04 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 2rqy n ALA 73 N -2.36 2.66 -1.02 3.45 0.00 -0.94 -4.87 120.51 117.44 2rqy n ALA 73 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 2rqy n ALA 73 Cb 0.28 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 2rqy n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rqy n ALA 74 N -0.75 -0.01 -2.90 0.00 0.00 0.87 -4.13 120.51 113.58 2rqy n ALA 74 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 2rqy n ALA 74 Cb 0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2rqy n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rqy n THR 75 N -2.35 -7.42 0.00 0.00 -2.24 -0.58 -4.89 114.28 96.80 2rqy n THR 75 Ca -0.01 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 63.10 2rqy n THR 75 Cb 0.34 -4.97 0.00 0.00 -2.10 0.00 0.00 70.33 63.60 2rqy n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rqy n LYS 76 N 1.36 0.00 -3.24 -0.78 5.02 -0.70 -4.81 118.16 115.01 2rqy n LYS 76 Ca -0.08 0.74 0.04 0.00 -2.02 0.00 0.00 58.31 56.99 2rqy n LYS 76 Cb 0.28 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2rqy n LYS 76 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2rqy s ILE 77 N -2.58 -0.38 0.61 -0.18 -4.36 -1.26 -5.01 121.20 108.04 2rqy s ILE 77 Ca 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 60.65 60.71 2rqy s ILE 77 Cb 0.00 -1.00 0.37 0.00 1.25 0.00 0.00 42.46 43.08 2rqy s ILE 77 CO 0.00 0.00 2.18 -0.29 0.24 0.00 0.00 174.94 177.07 2rqy h ILE 78 N 5.38 0.38 0.00 8.37 2.10 -1.87 0.25 117.51 132.11 2rqy h ILE 78 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.79 2rqy h ILE 78 Cb 1.15 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 2rqy h ILE 78 CO -0.00 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 176.61 2rqy n ASN 79 N -3.63 0.00 -0.49 2.19 6.94 -1.26 -1.15 115.26 117.86 2rqy n ASN 79 Ca -0.01 0.07 0.08 0.00 -0.02 0.00 0.00 54.58 54.70 2rqy n ASN 79 Cb 0.21 -0.33 0.03 0.00 -2.36 0.00 0.00 39.78 37.34 2rqy n ASN 79 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2rqy n GLU 80 N -1.33 1.56 0.00 -3.83 2.13 0.87 -3.66 120.64 116.37 2rqy n GLU 80 Ca 0.10 -1.09 0.00 0.00 0.66 0.00 0.00 57.16 56.82 2rqy n GLU 80 Cb 0.19 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.60 2rqy n GLU 80 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2rqy n VAL 81 N 0.31 0.01 0.04 6.31 3.14 -0.98 -4.75 118.33 122.41 2rqy n VAL 81 Ca 0.08 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2rqy n VAL 81 Cb 0.38 1.42 0.00 0.00 -1.06 0.00 0.00 33.84 34.58 2rqy n VAL 81 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2rqy n SER 82 N -0.00 0.53 0.11 6.55 7.64 -0.30 -4.40 113.62 123.75 2rqy n SER 82 Ca 0.00 0.13 -0.15 0.00 1.01 0.00 0.00 58.87 59.86 2rqy n SER 82 Cb 0.11 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 2rqy n SER 82 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2rqy h LYS 83 N 0.00 -0.67 -0.18 1.43 3.11 -1.71 -2.34 116.57 116.22 2rqy h LYS 83 Ca 0.00 0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.76 2rqy h LYS 83 Cb 0.31 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2rqy h LYS 83 CO 0.00 -0.45 -0.44 -1.00 -2.81 0.00 0.00 179.45 174.75 2rqy h PRO 84 N -0.70 0.43 -0.01 1.90 0.13 -1.86 -2.86 132.00 129.03 2rqy h PRO 84 Ca 0.01 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2rqy h PRO 84 Cb 0.72 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2rqy h PRO 84 CO -0.28 0.79 0.14 1.25 -0.23 0.00 0.00 178.00 179.67 2rqy h LEU 85 N 0.35 0.00 -1.98 1.56 5.85 -1.59 0.33 115.31 119.82 2rqy h LEU 85 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2rqy h LEU 85 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2rqy h LEU 85 CO 0.08 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 2rqy n ALA 86 N -2.02 2.39 -1.80 1.25 0.00 -0.91 -4.21 120.51 115.20 2rqy n ALA 86 Ca -0.02 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 2rqy n ALA 86 Cb 0.20 -0.50 0.04 0.00 0.00 0.00 0.00 19.45 19.19 2rqy n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rqy n HIS 87 N 0.79 3.03 -2.67 0.00 8.25 0.11 -4.76 115.22 119.97 2rqy n HIS 87 Ca 0.10 -2.63 -0.08 0.00 -0.26 0.00 0.00 57.72 54.85 2rqy n HIS 87 Cb 0.39 -0.81 0.04 0.00 1.12 0.00 0.00 29.99 30.73 2rqy n HIS 87 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rqy n HIS 88 N -0.75 -0.98 -3.18 4.41 -0.00 -1.25 -5.00 115.22 108.48 2rqy n HIS 88 Ca 0.51 0.40 -0.20 0.00 -0.00 0.00 0.00 57.72 58.44 2rqy n HIS 88 Cb 0.75 -3.18 -0.06 0.00 -0.00 0.00 0.00 29.99 27.50 2rqy n HIS 88 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2rqy n ILE 89 N -2.56 -0.80 -0.02 3.57 5.41 -1.15 -4.98 119.36 118.83 2rqy n ILE 89 Ca -0.10 -2.83 -0.13 0.00 1.00 0.00 0.00 62.75 60.69 2rqy n ILE 89 Cb 0.56 -0.90 -0.10 0.00 -0.71 0.00 0.00 39.64 38.49 2rqy n ILE 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2rqy h PRO 90 N 5.16 0.02 0.00 0.38 0.13 -1.86 -3.34 132.00 132.49 2rqy h PRO 90 Ca 0.17 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 2rqy h PRO 90 Cb 0.96 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 2rqy h PRO 90 CO 0.30 0.50 -0.09 1.55 -0.23 0.00 0.00 178.00 180.02 2rqy n VAL 91 N -4.84 0.00 0.05 1.56 3.14 -1.26 -4.78 118.33 112.20 2rqy n VAL 91 Ca -0.08 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.09 2rqy n VAL 91 Cb 0.25 0.16 -0.15 0.00 -1.06 0.00 0.00 33.84 33.05 2rqy n VAL 91 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2rqy h GLU 92 N 0.00 0.30 0.00 1.45 4.81 -1.94 -3.31 114.58 115.90 2rqy h GLU 92 Ca -0.19 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 2rqy h GLU 92 Cb 1.08 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2rqy h GLU 92 CO -0.09 1.25 -0.14 1.63 -0.73 0.00 0.00 179.01 180.93 2rqy n LYS 93 N -4.11 0.21 0.00 1.92 5.02 -1.26 -0.59 118.16 119.35 2rqy n LYS 93 Ca -0.14 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2rqy n LYS 93 Cb 0.83 -1.72 0.60 0.00 -0.02 0.00 0.00 35.03 34.72 2rqy n LYS 93 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rqy n ILE 94 N -2.08 0.15 0.11 -0.18 5.41 -1.24 -1.44 119.36 120.08 2rqy n ILE 94 Ca 0.05 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2rqy n ILE 94 Cb 0.41 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 2rqy n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rqy h GLU 96 N 0.00 -0.40 0.00 0.00 4.57 -1.09 0.32 114.58 117.98 2rqy h GLU 96 Ca 0.00 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2rqy h GLU 96 Cb 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2rqy h GLU 96 CO 0.00 -0.27 -0.33 1.57 -1.18 0.00 0.00 179.01 178.80 2rqy h LYS 97 N -0.42 0.00 0.00 1.92 5.09 -1.65 -2.91 116.57 118.60 2rqy h LYS 97 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.73 2rqy h LYS 97 Cb 0.41 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.74 2rqy h LYS 97 CO -0.14 0.33 -0.01 1.25 -2.09 0.00 0.00 179.45 178.79 2rqy h LEU 98 N 0.00 0.00 -1.95 7.07 6.46 -0.81 -3.07 115.31 123.01 2rqy h LEU 98 Ca -0.00 0.00 0.30 0.00 -0.12 0.00 0.00 57.88 58.05 2rqy h LEU 98 Cb 0.96 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 2rqy h LEU 98 CO 0.04 0.01 0.74 0.50 -0.62 0.00 0.00 178.44 179.12 2rqy h LYS 99 N 0.00 0.03 -0.88 1.25 3.11 -0.16 0.27 116.57 120.19 2rqy h LYS 99 Ca -0.00 -0.00 0.26 0.00 -2.81 0.00 0.00 60.65 58.09 2rqy h LYS 99 Cb 0.56 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.75 2rqy h LYS 99 CO 0.00 0.02 0.64 0.87 -2.81 0.00 0.00 179.45 178.17 2rqy h LYS 100 N 0.03 0.00 0.00 1.90 1.57 -1.77 -2.71 116.57 115.59 2rqy h LYS 100 Ca 0.50 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.99 2rqy h LYS 100 Cb 1.95 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.21 2rqy h LYS 100 CO -0.03 0.00 -2.04 1.63 -0.57 0.00 0.00 179.45 178.44 2rqy n LYS 101 N -4.25 0.44 -3.65 3.15 4.76 0.85 -4.92 118.16 114.53 2rqy n LYS 101 Ca 0.18 0.13 -0.29 0.00 -2.87 0.00 0.00 58.31 55.46 2rqy n LYS 101 Cb 0.95 -1.30 -0.15 0.00 -1.84 0.00 0.00 35.03 32.69 2rqy n LYS 101 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2rqy s ASP 102 N -6.07 3.81 0.24 4.39 2.15 -0.61 -4.97 116.67 115.60 2rqy s ASP 102 Ca -0.25 -1.54 0.13 0.00 0.43 0.00 0.00 52.55 51.32 2rqy s ASP 102 Cb 0.08 -0.66 -0.00 0.00 -0.30 0.00 0.00 42.92 42.03 2rqy s ASP 102 CO 0.39 -0.42 1.40 -1.28 -0.17 0.00 0.00 175.17 175.09 2rqy h SER 103 N 8.16 0.00 0.19 -0.34 0.87 -1.77 -3.19 113.55 117.47 2rqy h SER 103 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2rqy h SER 103 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2rqy h SER 103 CO 0.46 0.62 0.00 1.56 -0.53 0.00 0.00 176.83 178.93 2rqy h GLN 104 N 0.00 0.00 -0.93 2.24 7.50 -1.93 -2.72 115.11 119.27 2rqy h GLN 104 Ca -0.01 0.00 0.18 0.00 0.50 0.00 0.00 58.65 59.32 2rqy h GLN 104 Cb 1.48 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.90 2rqy h GLN 104 CO 0.08 0.00 0.51 0.97 -1.50 0.00 0.00 178.83 178.89 2rqy h ILE 105 N 0.00 0.67 0.00 2.54 2.10 -1.94 0.33 117.51 121.21 2rqy h ILE 105 Ca 0.00 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.71 2rqy h ILE 105 Cb 0.10 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 35.79 2rqy h ILE 105 CO 0.00 0.12 -0.22 0.00 -1.08 0.00 0.00 178.15 176.97 2rqy h GLU 107 N -1.00 -0.27 -2.53 0.00 5.08 -1.59 -3.45 114.58 110.82 2rqy h GLU 107 Ca -0.01 0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2rqy h GLU 107 Cb 0.28 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2rqy h GLU 107 CO -0.01 -0.18 -0.35 -0.11 -1.00 0.00 0.00 179.01 177.37 2rqy n LEU 108 N -3.62 -1.29 0.08 1.33 7.94 0.11 -4.88 117.00 116.67 2rqy n LEU 108 Ca -0.03 0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 55.07 2rqy n LEU 108 Cb 0.16 -2.35 -0.01 0.00 0.53 0.00 0.00 43.42 41.75 2rqy n LEU 108 CO 0.06 -0.45 0.39 0.11 -1.11 0.00 0.00 177.39 176.39 2rqy h LYS 109 N 0.00 -0.19 -0.06 1.96 1.57 -1.85 -3.09 116.57 114.91 2rqy h LYS 109 Ca -0.34 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2rqy h LYS 109 Cb 1.15 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2rqy h LYS 109 CO 0.44 -0.13 0.11 -0.92 -0.57 0.00 0.00 179.45 178.38 2rqy h TYR 110 N -0.24 0.00 -0.27 -1.35 5.03 -1.90 -2.15 116.97 116.10 2rqy h TYR 110 Ca -0.02 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.33 2rqy h TYR 110 Cb 0.15 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 2rqy h TYR 110 CO 0.14 0.00 0.05 0.22 -1.32 0.00 0.00 178.16 177.26 2rqy h ASP 111 N 0.00 0.01 -3.76 -2.11 1.82 -1.90 -3.43 116.42 107.05 2rqy h ASP 111 Ca 0.03 0.04 -0.55 0.00 -0.39 0.00 0.00 57.03 56.16 2rqy h ASP 111 Cb 0.25 0.06 0.18 0.00 0.68 0.00 0.00 39.33 40.49 2rqy h ASP 111 CO -0.00 0.04 0.05 0.29 -1.61 0.00 0.00 179.24 178.01 2rqy n LYS 112 N -5.09 0.40 -3.48 0.28 4.76 -0.81 -5.00 118.16 109.23 2rqy n LYS 112 Ca -0.01 0.19 -0.28 0.00 -2.87 0.00 0.00 58.31 55.35 2rqy n LYS 112 Cb 0.12 -2.20 -0.11 0.00 -1.84 0.00 0.00 35.03 31.00 2rqy n LYS 112 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2rqy s GLN 113 N -3.40 1.06 -0.15 1.97 -0.21 -1.26 -5.05 119.66 112.61 2rqy s GLN 113 Ca 0.72 -2.14 -0.13 0.00 0.02 0.00 0.00 55.36 53.82 2rqy s GLN 113 Cb -0.33 -1.68 0.04 0.00 1.00 0.00 0.00 33.01 32.04 2rqy s GLN 113 CO 0.52 -1.34 0.40 -1.50 -2.12 0.00 0.00 175.29 171.25 2rqy s ILE 114 N 0.04 -0.00 -1.23 1.08 -1.16 -1.26 -5.09 121.20 113.58 2rqy s ILE 114 Ca 0.29 0.01 -0.13 0.00 -0.51 0.00 0.00 60.65 60.31 2rqy s ILE 114 Cb -0.02 -0.57 0.17 0.00 0.61 0.00 0.00 42.46 42.65 2rqy s ILE 114 CO -0.16 0.00 1.51 0.47 -2.81 0.00 0.00 174.94 173.96 2rqy n ASP 115 N 3.02 5.20 0.00 4.50 8.00 -1.26 -4.02 116.55 131.99 2rqy n ASP 115 Ca -0.14 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.36 2rqy n ASP 115 Cb 0.57 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2rqy n ASP 115 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2rqy n LEU 116 N 5.41 0.00 0.00 0.64 7.94 -1.26 -5.11 117.00 124.62 2rqy n LEU 116 Ca 0.38 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 55.27 2rqy n LEU 116 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2rqy n LEU 116 CO 0.66 0.00 0.02 -0.24 -1.11 0.00 0.00 177.39 176.72 2rqy n SER 117 N -1.16 -0.07 -0.09 1.96 2.88 -1.26 -4.66 113.62 111.22 2rqy n SER 117 Ca 0.00 -1.05 -0.20 0.00 -1.33 0.00 0.00 58.87 56.29 2rqy n SER 117 Cb 0.00 0.12 -0.12 0.00 -0.75 0.00 0.00 64.21 63.46 2rqy n SER 117 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2rqy n THR 118 N -0.02 1.58 -3.99 2.46 -2.24 -1.26 -4.75 114.28 106.07 2rqy n THR 118 Ca -0.00 -0.58 -0.31 0.00 -2.27 0.00 0.00 64.05 60.89 2rqy n THR 118 Cb 0.02 -1.55 -0.15 0.00 -2.10 0.00 0.00 70.33 66.56 2rqy n THR 118 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2rqy s VAL 119 N -2.53 2.42 -0.04 2.28 -7.23 -1.26 -4.68 120.40 109.37 2rqy s VAL 119 Ca -0.31 -2.80 0.06 0.00 -1.81 0.00 0.00 61.98 57.12 2rqy s VAL 119 Cb 0.08 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 2rqy s VAL 119 CO 0.65 -0.69 0.09 0.47 -0.31 0.00 0.00 175.10 175.30 2rqy n ASP 120 N 3.72 3.39 -0.00 4.85 9.92 -1.26 -3.91 116.55 133.26 2rqy n ASP 120 Ca 0.04 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.32 2rqy n ASP 120 Cb 0.37 1.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.83 2rqy n ASP 120 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2rqy n LEU 121 N -1.99 0.08 -0.01 0.64 7.94 -1.26 -4.74 117.00 117.67 2rqy n LEU 121 Ca -0.06 -0.36 -0.00 0.00 -1.11 0.00 0.00 56.01 54.47 2rqy n LEU 121 Cb 0.45 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.39 2rqy n LEU 121 CO 0.14 0.02 -0.04 1.17 -1.11 0.00 0.00 177.39 177.58 2rqy n LYS 122 N -1.20 0.05 -1.15 1.96 0.00 -1.26 -4.50 118.16 112.05 2rqy n LYS 122 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 58.31 58.25 2rqy n LYS 122 Cb 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 35.03 34.21 2rqy n LYS 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2rqy n LYS 123 N -2.51 3.14 -1.42 1.64 5.02 -1.26 -4.81 118.16 117.97 2rqy n LYS 123 Ca -0.01 -1.88 -0.43 0.00 -2.02 0.00 0.00 58.31 53.97 2rqy n LYS 123 Cb 0.03 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.39 2rqy n LYS 123 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2rqy n LEU 124 N 3.56 5.42 0.00 -0.35 7.94 -1.26 -2.09 117.00 130.22 2rqy n LEU 124 Ca 0.67 -3.48 0.00 0.00 -1.11 0.00 0.00 56.01 52.09 2rqy n LEU 124 Cb 0.29 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.87 2rqy n LEU 124 CO 0.73 0.35 0.00 0.54 -1.11 0.00 0.00 177.39 177.90 2rqy n ARG 125 N 6.54 0.00 0.00 1.96 5.12 -1.26 -5.00 116.66 124.02 2rqy n ARG 125 Ca 0.51 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 2rqy n ARG 125 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2rqy n ARG 125 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rqy n VAL 126 N -1.46 0.00 0.17 1.55 0.31 -1.26 -4.74 118.33 112.90 2rqy n VAL 126 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2rqy n VAL 126 Cb 0.00 -0.61 0.29 0.00 -0.91 0.00 0.00 33.84 32.62 2rqy n VAL 126 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2rqy h LYS 127 N 0.00 0.00 0.00 5.55 3.64 -1.92 0.46 116.57 124.30 2rqy h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rqy h LYS 127 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2rqy h LYS 127 CO 0.00 0.46 0.00 -0.85 -2.27 0.00 0.00 179.45 176.79 2rqy n GLU 128 N -3.94 0.17 0.02 1.90 0.28 -0.89 -2.34 120.64 115.84 2rqy n GLU 128 Ca -0.02 0.15 -0.02 0.00 -0.16 0.00 0.00 57.16 57.12 2rqy n GLU 128 Cb 0.49 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.85 2rqy n GLU 128 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2rqy n LEU 129 N -1.35 1.25 -0.21 -1.84 7.94 -0.89 -4.05 117.00 117.86 2rqy n LEU 129 Ca 0.07 0.17 0.30 0.00 -1.11 0.00 0.00 56.01 55.44 2rqy n LEU 129 Cb 0.15 -0.41 0.73 0.00 0.53 0.00 0.00 43.42 44.42 2rqy n LEU 129 CO 0.14 -0.65 1.28 0.11 -1.11 0.00 0.00 177.39 177.15 2rqy h LYS 130 N -0.19 0.00 0.00 1.96 1.57 -1.04 0.26 116.57 119.13 2rqy h LYS 130 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rqy h LYS 130 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2rqy h LYS 130 CO -0.00 0.00 -0.13 0.87 -0.57 0.00 0.00 179.45 179.62 2rqy h LYS 131 N 0.00 0.00 -0.54 3.15 1.79 -1.67 -3.29 116.57 116.01 2rqy h LYS 131 Ca 0.45 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.01 2rqy h LYS 131 Cb 1.82 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.37 2rqy h LYS 131 CO -0.00 0.00 -0.40 0.82 -1.08 0.00 0.00 179.45 178.79 2rqy h ILE 132 N -0.26 0.12 -0.97 1.86 5.03 -1.66 0.28 117.51 121.90 2rqy h ILE 132 Ca 0.00 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.93 2rqy h ILE 132 Cb 0.13 0.12 -0.09 0.00 -3.03 0.00 0.00 36.82 33.95 2rqy h ILE 132 CO 0.00 0.00 0.61 0.25 -0.68 0.00 0.00 178.15 178.33 2rqy h LEU 133 N -0.23 0.67 0.79 1.44 6.46 -0.72 0.28 115.31 124.00 2rqy h LEU 133 Ca 0.19 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2rqy h LEU 133 Cb 0.56 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2rqy h LEU 133 CO -0.65 0.26 -0.38 -0.78 -0.62 0.00 0.00 178.44 176.27 2rqy h ASP 134 N 0.66 -0.90 0.08 1.25 1.82 -0.58 -2.89 116.42 115.86 2rqy h ASP 134 Ca 0.53 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 2rqy h ASP 134 Cb 0.96 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 2rqy h ASP 134 CO -0.30 -0.55 -0.03 0.44 -1.61 0.00 0.00 179.24 177.19 2rqy h ASP 135 N -1.23 0.00 -0.22 2.28 5.19 -0.63 -1.63 116.42 120.19 2rqy h ASP 135 Ca -0.11 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2rqy h ASP 135 Cb 0.82 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 2rqy h ASP 135 CO 0.18 0.03 0.24 -0.50 -3.12 0.00 0.00 179.24 176.07 2rqy h TRP 136 N 0.00 0.00 0.00 4.55 -0.00 -0.23 -3.45 115.95 116.82 2rqy h TRP 136 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2rqy h TRP 136 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2rqy h TRP 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.44 178.85 2rqy n GLY 137 N -1.41 0.71 3.22 1.49 0.00 -0.61 -5.09 105.19 103.49 2rqy n GLY 137 Ca 0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2rqy n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rqy s GLU 138 N -1.11 0.99 -0.19 1.61 2.02 -1.22 -5.08 118.70 115.73 2rqy s GLU 138 Ca 0.00 -1.43 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 2rqy s GLU 138 Cb 0.00 -0.40 0.08 0.00 0.10 0.00 0.00 34.13 33.91 2rqy s GLU 138 CO 0.00 -0.00 0.15 -1.64 0.02 0.00 0.00 175.26 173.79 2rqy s MET 139 N -3.81 0.13 -0.28 1.61 -1.94 -1.26 -4.96 119.30 108.78 2rqy s MET 139 Ca 0.17 0.02 0.01 0.00 -1.71 0.00 0.00 55.69 54.18 2rqy s MET 139 Cb 0.04 -1.50 0.06 0.00 2.01 0.00 0.00 34.83 35.44 2rqy s MET 139 CO -0.01 -0.69 -0.05 0.00 -0.01 0.00 0.00 175.02 174.26 2rqy s LYS 141 N 1.13 3.63 -0.75 0.00 1.02 -1.26 -4.10 119.74 119.41 2rqy s LYS 141 Ca -0.06 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2rqy s LYS 141 Cb -0.20 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2rqy s LYS 141 CO -0.04 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 2rqy n GLY 142 N 4.85 0.92 2.99 -3.33 0.00 -1.26 -5.00 105.19 104.35 2rqy n GLY 142 Ca -0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2rqy n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rqy s ALA 144 N 0.73 -3.67 -0.11 0.00 0.00 -1.26 -4.72 121.76 112.73 2rqy s ALA 144 Ca -0.05 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2rqy s ALA 144 Cb -0.07 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.42 2rqy s ALA 144 CO -0.04 -1.79 0.31 -1.21 0.00 0.00 0.00 175.76 173.03 2rqy s GLU 145 N 2.95 0.39 0.58 0.00 2.02 -1.26 -5.02 118.70 118.36 2rqy s GLU 145 Ca 0.14 0.36 0.28 0.00 0.02 0.00 0.00 54.97 55.77 2rqy s GLU 145 Cb -0.06 0.19 1.63 0.00 0.10 0.00 0.00 34.13 35.99 2rqy s GLU 145 CO -0.18 -0.06 2.09 -0.22 0.02 0.00 0.00 175.26 176.92 2rqy h LYS 146 N 5.47 0.00 0.00 1.61 3.11 -1.98 0.24 116.57 125.01 2rqy h LYS 146 Ca -0.27 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.51 2rqy h LYS 146 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2rqy h LYS 146 CO 0.32 0.00 -0.33 0.77 -2.81 0.00 0.00 179.45 177.40 2rqy h SER 147 N 0.00 0.00 1.48 4.20 0.02 -1.95 -2.17 113.55 115.12 2rqy h SER 147 Ca 0.10 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2rqy h SER 147 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2rqy h SER 147 CO -0.00 0.33 -0.53 -0.78 -1.14 0.00 0.00 176.83 174.70 2rqy h ASP 148 N 0.00 0.00 0.10 3.07 3.58 -0.95 -3.27 116.42 118.95 2rqy h ASP 148 Ca -0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 2rqy h ASP 148 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2rqy h ASP 148 CO 0.04 0.45 -1.55 1.88 -2.88 0.00 0.00 179.24 177.18 2rqy h TYR 149 N 0.00 0.37 -0.83 0.28 0.05 -1.43 -3.08 116.97 112.33 2rqy h TYR 149 Ca -0.02 -0.27 0.20 0.00 0.05 0.00 0.00 58.73 58.69 2rqy h TYR 149 Cb 1.36 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.03 2rqy h TYR 149 CO 0.00 1.61 0.56 0.97 -1.05 0.00 0.00 178.16 180.25 2rqy h ILE 150 N -0.33 0.68 0.00 -2.88 2.10 -1.51 0.29 117.51 115.87 2rqy h ILE 150 Ca -0.35 -0.10 -0.07 0.00 1.08 0.00 0.00 64.86 65.42 2rqy h ILE 150 Cb 1.76 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 2rqy h ILE 150 CO 0.02 0.05 -0.96 0.03 -1.08 0.00 0.00 178.15 176.21 2rqy h ARG 151 N 0.28 0.00 0.27 2.19 -0.00 -1.70 -3.12 114.38 112.31 2rqy h ARG 151 Ca 0.42 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.88 2rqy h ARG 151 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.17 2rqy h ARG 151 CO -0.11 0.17 -0.13 0.87 0.00 0.00 0.00 179.97 180.77 2rqy h LYS 152 N 0.00 -0.35 -0.77 0.04 6.56 -0.42 -3.02 116.57 118.61 2rqy h LYS 152 Ca -0.06 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2rqy h LYS 152 Cb 1.26 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 32.96 2rqy h LYS 152 CO 0.03 -0.24 0.51 0.82 -2.06 0.00 0.00 179.45 178.51 2rqy h ILE 153 N -1.04 1.19 -0.97 1.86 1.08 -1.21 -2.14 117.51 116.28 2rqy h ILE 153 Ca -0.04 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 2rqy h ILE 153 Cb 0.28 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.03 2rqy h ILE 153 CO 0.06 0.19 0.62 0.78 -0.69 0.00 0.00 178.15 179.11 2rqy h ASN 154 N 1.03 0.98 0.42 1.72 -0.26 -1.65 0.33 115.58 118.14 2rqy h ASN 154 Ca 0.28 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2rqy h ASN 154 Cb -0.11 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 36.96 2rqy h ASN 154 CO -0.06 0.61 0.00 -0.62 -1.06 0.00 0.00 177.43 176.30 2rqy n GLU 155 N -4.54 0.17 -0.14 0.81 1.02 -0.81 -1.83 120.64 115.31 2rqy n GLU 155 Ca 0.15 0.51 0.06 0.00 -0.02 0.00 0.00 57.16 57.86 2rqy n GLU 155 Cb 0.20 -1.90 0.09 0.00 -0.02 0.00 0.00 31.44 29.80 2rqy n GLU 155 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2rqy n LEU 156 N -2.23 1.75 0.46 -4.62 4.32 0.47 -4.81 117.00 112.35 2rqy n LEU 156 Ca 0.01 -2.41 -0.18 0.00 -0.02 0.00 0.00 56.01 53.41 2rqy n LEU 156 Cb 0.15 -0.27 -0.09 0.00 -1.62 0.00 0.00 43.42 41.59 2rqy n LEU 156 CO 0.15 0.56 0.48 -0.03 -1.22 0.00 0.00 177.39 177.33 2rqy h MET 157 N 0.00 -1.15 0.00 3.23 4.05 0.27 0.22 114.93 121.56 2rqy h MET 157 Ca 0.00 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2rqy h MET 157 Cb 1.00 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2rqy h MET 157 CO 0.00 -0.76 0.00 -0.35 0.23 0.00 0.00 176.91 176.03 2rqy n PRO 158 N -5.51 0.08 -0.09 0.39 -0.04 -1.26 -0.15 135.00 128.42 2rqy n PRO 158 Ca -0.15 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2rqy n PRO 158 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2rqy n PRO 158 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2rqy n LYS 159 N -1.42 0.51 -0.50 0.54 4.81 -1.09 -3.48 118.16 117.53 2rqy n LYS 159 Ca 0.05 0.44 0.07 0.00 -0.87 0.00 0.00 58.31 58.00 2rqy n LYS 159 Cb 0.15 -1.63 0.28 0.00 0.02 0.00 0.00 35.03 33.85 2rqy n LYS 159 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2rqy n TYR 160 N -4.50 1.20 -2.66 5.64 4.01 0.76 -4.50 117.16 117.11 2rqy n TYR 160 Ca -0.20 -0.47 -0.04 0.00 -0.16 0.00 0.00 57.90 57.04 2rqy n TYR 160 Cb 0.49 -0.22 0.09 0.00 -0.31 0.00 0.00 39.34 39.39 2rqy n TYR 160 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rqy n ALA 161 N 0.78 -3.65 -1.94 -0.72 0.00 0.78 -5.00 120.51 110.77 2rqy n ALA 161 Ca 0.20 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2rqy n ALA 161 Cb 0.74 -3.39 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 2rqy n ALA 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rqy n PRO 162 N 1.14 1.57 -3.64 0.00 -0.04 -1.20 -4.03 135.00 128.81 2rqy n PRO 162 Ca -0.02 -2.38 -0.11 0.00 -0.04 0.00 0.00 63.50 60.95 2rqy n PRO 162 Cb 0.73 -3.63 -0.07 0.00 -0.04 0.00 0.00 33.50 30.49 2rqy n PRO 162 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2rqy s LYS 163 N 6.31 0.62 0.00 0.54 2.20 -1.26 -4.95 119.74 123.20 2rqy s LYS 163 Ca 0.67 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2rqy s LYS 163 Cb 0.01 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2rqy s LYS 163 CO 0.14 -0.07 0.00 0.00 -0.36 0.00 0.00 175.35 175.05 2rqy n ALA 164 N 2.38 0.00 -0.09 3.13 0.00 -1.26 -4.36 120.51 120.31 2rqy n ALA 164 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 2rqy n ALA 164 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2rqy n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rqy h ALA 165 N 0.00 -0.03 0.00 0.00 0.00 -1.92 0.17 119.26 117.49 2rqy h ALA 165 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2rqy h ALA 165 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2rqy h ALA 165 CO 0.00 -0.62 -0.69 0.77 0.00 0.00 0.00 179.25 178.70 2rqy h SER 166 N -0.19 0.00 -0.88 0.00 0.02 -1.79 0.71 113.55 111.43 2rqy h SER 166 Ca 0.17 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.62 2rqy h SER 166 Cb 0.46 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.73 2rqy h SER 166 CO -0.45 0.52 0.65 0.00 -1.14 0.00 0.00 176.83 176.41 2rqy n ALA 167 N -2.26 5.52 0.03 3.77 0.00 -0.65 -4.64 120.51 122.28 2rqy n ALA 167 Ca -0.00 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.72 2rqy n ALA 167 Cb 0.76 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2rqy n ALA 167 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rqy n ARG 168 N -0.83 0.00 -0.56 0.00 0.00 0.50 -4.66 116.66 111.11 2rqy n ARG 168 Ca 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.30 2rqy n ARG 168 Cb 1.21 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.74 2rqy n ARG 168 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2rqy n THR 169 N -2.52 0.00 -3.50 5.15 -1.04 0.24 -4.52 114.28 108.09 2rqy n THR 169 Ca 0.00 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.05 61.52 2rqy n THR 169 Cb 0.00 -1.83 0.08 0.00 -1.82 0.00 0.00 70.33 66.76 2rqy n THR 169 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2rqy n ASP 170 N -3.27 -4.42 0.00 8.00 8.00 -1.25 -4.51 116.55 119.11 2rqy n ASP 170 Ca 0.05 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2rqy n ASP 170 Cb 0.17 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.30 2rqy n ASP 170 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70