#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa2 h ASP 2 N 0.00 0.33 -5.06 -3.46 3.32 -1.63 -3.44 116.42 106.49 2qa2 h ASP 2 Ca 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2qa2 h ASP 2 Cb 0.00 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 39.31 2qa2 h ASP 2 CO 0.00 0.38 -0.16 0.00 -1.72 0.00 0.00 179.24 177.74 2qa2 s ALA 3 N -5.00 -0.83 0.07 3.45 0.00 -1.23 -5.07 121.76 113.16 2qa2 s ALA 3 Ca -0.07 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 2qa2 s ALA 3 Cb 0.16 0.43 -0.16 0.00 0.00 0.00 0.00 23.12 23.55 2qa2 s ALA 3 CO 0.73 -0.49 1.66 0.77 0.00 0.00 0.00 175.76 178.44 2qa2 h SER 4 N 2.90 -0.12 -3.72 0.00 0.02 -1.85 -3.33 113.55 107.44 2qa2 h SER 4 Ca -0.32 -0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.10 2qa2 h SER 4 Cb 1.22 0.03 -0.32 0.00 0.14 0.00 0.00 62.40 63.47 2qa2 h SER 4 CO 0.46 -0.03 -0.81 -0.69 -1.14 0.00 0.00 176.83 174.62 2qa2 s VAL 5 N -5.95 1.02 -0.26 2.27 1.01 -1.24 -1.70 120.40 115.56 2qa2 s VAL 5 Ca -0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2qa2 s VAL 5 Cb 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2qa2 s VAL 5 CO 0.65 0.31 0.09 -0.63 0.00 0.00 0.00 175.10 175.53 2qa2 s ILE 6 N 0.30 4.41 -0.22 2.22 1.01 0.23 -1.66 121.20 127.50 2qa2 s ILE 6 Ca -0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2qa2 s ILE 6 Cb -0.11 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 2qa2 s ILE 6 CO 0.02 0.28 0.17 -0.69 0.00 0.00 0.00 174.94 174.72 2qa2 s VAL 7 N 1.62 5.36 -0.23 2.92 1.01 0.21 -1.29 120.40 130.01 2qa2 s VAL 7 Ca 0.06 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 2qa2 s VAL 7 Cb -0.16 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2qa2 s VAL 7 CO 0.05 0.38 0.03 0.54 0.00 0.00 0.00 175.10 176.10 2qa2 s VAL 8 N 0.75 4.09 0.00 2.92 0.11 -0.93 -0.72 120.40 126.63 2qa2 s VAL 8 Ca 0.09 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2qa2 s VAL 8 Cb -0.13 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2qa2 s VAL 8 CO 0.02 0.38 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 2qa2 n GLY 9 N 4.65 1.95 2.48 6.54 0.00 0.28 -1.16 105.19 119.92 2qa2 n GLY 9 Ca -0.17 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2qa2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa2 n ALA 10 N 2.62 5.17 -1.86 4.61 0.00 -1.26 -4.21 120.51 125.57 2qa2 n ALA 10 Ca 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.16 2qa2 n ALA 10 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2qa2 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa2 n GLY 11 N -0.50 0.40 0.36 0.00 0.00 -1.26 -4.66 105.19 99.52 2qa2 n GLY 11 Ca 0.40 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 2qa2 n GLY 11 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qa2 h PRO 12 N 0.00 -0.18 0.22 1.61 0.11 -1.95 0.24 132.00 132.05 2qa2 h PRO 12 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2qa2 h PRO 12 Cb 0.00 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 2qa2 h PRO 12 CO 0.00 -0.12 -0.42 0.00 -0.21 0.00 0.00 178.00 177.25 2qa2 h ALA 13 N 0.87 -0.98 -0.60 -0.75 0.00 -1.90 0.96 119.26 116.85 2qa2 h ALA 13 Ca 0.21 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2qa2 h ALA 13 Cb 0.56 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2qa2 h ALA 13 CO -0.67 -1.05 0.29 0.78 0.00 0.00 0.00 179.25 178.60 2qa2 h GLY 14 N -0.69 0.86 1.00 0.00 0.00 -1.67 -1.23 103.07 101.35 2qa2 h GLY 14 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2qa2 h GLY 14 CO -0.16 0.09 0.24 1.41 0.00 0.00 0.00 176.54 178.12 2qa2 h LEU 15 N 0.54 0.85 -0.29 3.11 3.38 -0.23 -0.13 115.31 122.54 2qa2 h LEU 15 Ca 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qa2 h LEU 15 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qa2 h LEU 15 CO -0.21 0.79 0.15 -0.03 0.09 0.00 0.00 178.44 179.23 2qa2 h MET 16 N 0.85 0.42 -0.04 1.13 4.05 -0.57 -2.38 114.93 118.39 2qa2 h MET 16 Ca 0.20 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2qa2 h MET 16 Cb 0.22 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2qa2 h MET 16 CO -0.02 0.38 0.01 1.25 0.23 0.00 0.00 176.91 178.77 2qa2 h LEU 17 N 0.35 0.05 -0.65 3.39 5.85 -0.95 -0.94 115.31 122.41 2qa2 h LEU 17 Ca 0.10 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.78 2qa2 h LEU 17 Cb 0.09 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 2qa2 h LEU 17 CO -0.01 0.21 -0.09 0.00 -0.34 0.00 0.00 178.44 178.21 2qa2 h ALA 18 N 0.84 0.53 0.15 1.25 0.00 -0.90 0.69 119.26 121.82 2qa2 h ALA 18 Ca 0.01 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2qa2 h ALA 18 Cb 0.18 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2qa2 h ALA 18 CO -0.00 -0.42 -0.23 0.78 0.00 0.00 0.00 179.25 179.39 2qa2 h GLY 19 N 0.05 -0.44 0.89 0.00 0.00 -1.14 -2.05 103.07 100.38 2qa2 h GLY 19 Ca 0.33 0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.95 2qa2 h GLY 19 CO -0.62 -0.21 0.58 0.83 0.00 0.00 0.00 176.54 177.12 2qa2 h GLU 20 N -0.44 1.09 -0.83 4.80 4.39 0.33 -0.55 114.58 123.37 2qa2 h GLU 20 Ca 0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2qa2 h GLU 20 Cb 0.45 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2qa2 h GLU 20 CO -0.10 0.72 0.53 -0.07 -1.16 0.00 0.00 179.01 178.93 2qa2 h LEU 21 N 1.13 0.88 -0.17 1.33 3.38 0.40 -2.24 115.31 120.01 2qa2 h LEU 21 Ca 0.35 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2qa2 h LEU 21 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2qa2 h LEU 21 CO -0.11 0.60 0.03 0.03 0.09 0.00 0.00 178.44 179.08 2qa2 h ARG 22 N 1.03 0.28 -0.47 1.13 2.47 -0.39 -2.12 114.38 116.33 2qa2 h ARG 22 Ca 0.33 -0.07 0.08 0.00 -1.26 0.00 0.00 59.98 59.06 2qa2 h ARG 22 Cb 0.02 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 2qa2 h ARG 22 CO -0.12 0.44 0.32 -0.07 0.56 0.00 0.00 179.97 181.10 2qa2 h LEU 23 N 0.08 0.25 0.00 3.04 3.38 -1.31 0.79 115.31 121.54 2qa2 h LEU 23 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qa2 h LEU 23 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qa2 h LEU 23 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2qa2 n GLY 24 N -1.54 -0.58 1.92 0.83 0.00 -0.82 -4.88 105.19 100.13 2qa2 n GLY 24 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2qa2 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa2 n GLY 25 N 0.14 0.14 3.02 -0.02 0.00 0.27 -4.75 105.19 103.99 2qa2 n GLY 25 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2qa2 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa2 s VAL 26 N -3.14 -0.01 0.39 1.61 1.01 -1.08 -5.02 120.40 114.15 2qa2 s VAL 26 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 2qa2 s VAL 26 Cb -0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 2qa2 s VAL 26 CO 0.28 0.02 0.97 1.51 0.00 0.00 0.00 175.10 177.88 2qa2 s ASP 27 N 0.41 7.03 0.01 3.32 -4.77 -1.26 -3.93 116.67 117.48 2qa2 s ASP 27 Ca -0.03 1.82 -0.11 0.00 -3.30 0.00 0.00 52.55 50.93 2qa2 s ASP 27 Cb -0.04 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 2qa2 s ASP 27 CO -0.02 -0.29 0.23 0.54 0.70 0.00 0.00 175.17 176.33 2qa2 s VAL 28 N -1.86 0.08 -0.11 2.11 0.11 -1.26 -3.60 120.40 115.86 2qa2 s VAL 28 Ca 0.57 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2qa2 s VAL 28 Cb -0.15 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2qa2 s VAL 28 CO 0.20 -0.35 -0.05 -0.32 -3.33 0.00 0.00 175.10 171.24 2qa2 s MET 29 N -1.67 1.31 -0.22 1.54 1.75 -0.66 -2.29 119.30 119.05 2qa2 s MET 29 Ca -0.12 -0.22 -0.07 0.00 -1.25 0.00 0.00 55.69 54.03 2qa2 s MET 29 Cb -0.05 -1.54 -0.03 0.00 2.84 0.00 0.00 34.83 36.05 2qa2 s MET 29 CO 0.01 -0.31 0.06 0.08 -0.65 0.00 0.00 175.02 174.22 2qa2 s VAL 30 N 1.76 4.49 -0.24 10.11 1.01 0.93 0.67 120.40 139.13 2qa2 s VAL 30 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 2qa2 s VAL 30 Cb -0.13 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2qa2 s VAL 30 CO -0.08 0.40 0.08 -0.76 0.00 0.00 0.00 175.10 174.74 2qa2 s LEU 31 N 1.02 3.57 -0.06 3.92 1.43 0.10 0.49 118.68 129.16 2qa2 s LEU 31 Ca 0.04 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2qa2 s LEU 31 Cb -0.14 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2qa2 s LEU 31 CO 0.03 0.01 -0.17 -0.70 0.23 0.00 0.00 176.35 175.74 2qa2 s GLU 32 N 1.38 1.98 0.14 1.70 2.56 -0.15 0.99 118.70 127.29 2qa2 s GLU 32 Ca 0.05 -0.61 -0.07 0.00 0.00 0.00 0.00 54.97 54.34 2qa2 s GLU 32 Cb -0.15 -1.65 -0.06 0.00 2.00 0.00 0.00 34.13 34.27 2qa2 s GLU 32 CO 0.04 0.19 1.36 -0.56 -0.56 0.00 0.00 175.26 175.73 2qa2 h GLN 33 N 6.48 0.59 -6.79 4.30 3.07 -1.80 -0.21 115.11 120.76 2qa2 h GLN 33 Ca -0.30 -0.50 -0.53 0.00 0.09 0.00 0.00 58.65 57.41 2qa2 h GLN 33 Cb 1.19 0.11 0.06 0.00 0.08 0.00 0.00 27.48 28.92 2qa2 h GLN 33 CO 0.48 1.12 0.72 -0.51 0.09 0.00 0.00 178.83 180.73 2qa2 s LEU 34 N -8.15 4.40 0.08 0.06 1.43 -1.26 -3.48 118.68 111.75 2qa2 s LEU 34 Ca -0.08 2.68 -0.05 0.00 -1.03 0.00 0.00 54.13 55.65 2qa2 s LEU 34 Cb 0.09 -3.63 -0.27 0.00 0.03 0.00 0.00 46.19 42.41 2qa2 s LEU 34 CO 0.87 -0.65 1.15 -0.65 0.23 0.00 0.00 176.35 177.30 2qa2 h PRO 35 N 4.50 0.30 -5.06 1.29 0.11 -1.92 -3.17 132.00 128.06 2qa2 h PRO 35 Ca -0.47 -0.49 -0.36 0.00 0.11 0.00 0.00 66.00 64.78 2qa2 h PRO 35 Cb 1.22 0.18 -0.21 0.00 0.11 0.00 0.00 31.00 32.30 2qa2 h PRO 35 CO 0.74 1.23 -0.76 -0.65 -0.21 0.00 0.00 178.00 178.34 2qa2 s GLN 36 N -2.70 0.71 0.51 1.05 -0.21 -1.26 -4.79 119.66 112.97 2qa2 s GLN 36 Ca -0.04 -0.88 -0.23 0.00 0.02 0.00 0.00 55.36 54.22 2qa2 s GLN 36 Cb 0.07 -0.63 -0.06 0.00 1.00 0.00 0.00 33.01 33.39 2qa2 s GLN 36 CO 0.89 0.13 1.40 0.54 -2.12 0.00 0.00 175.29 176.13 2qa2 n ARG 37 N 1.35 1.94 0.00 2.91 1.74 -1.26 -4.93 116.66 118.42 2qa2 n ARG 37 Ca -0.22 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2qa2 n ARG 37 Cb 0.54 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 2qa2 n ARG 37 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2qa2 n THR 38 N -0.68 0.00 0.00 0.55 5.66 -1.26 -4.88 114.28 113.67 2qa2 n THR 38 Ca 0.08 1.29 0.00 0.00 -3.05 0.00 0.00 64.05 62.37 2qa2 n THR 38 Cb 0.43 -1.76 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 2qa2 n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qa2 n GLY 39 N -0.99 2.43 3.77 1.09 0.00 -1.26 -5.09 105.19 105.14 2qa2 n GLY 39 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2qa2 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qa2 s GLU 40 N -0.19 3.58 -0.40 1.61 2.12 -1.26 -4.99 118.70 119.18 2qa2 s GLU 40 Ca 0.00 1.69 0.09 0.00 0.36 0.00 0.00 54.97 57.11 2qa2 s GLU 40 Cb 0.00 -2.22 0.27 0.00 0.26 0.00 0.00 34.13 32.44 2qa2 s GLU 40 CO 0.00 -0.68 0.57 -1.13 -0.54 0.00 0.00 175.26 173.48 2qa2 n SER 41 N -0.85 0.44 0.00 -1.70 3.41 -1.26 -4.08 113.62 109.57 2qa2 n SER 41 Ca 0.09 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 2qa2 n SER 41 Cb 0.49 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2qa2 n SER 41 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2qa2 n ARG 42 N 1.18 0.00 -1.77 4.33 1.85 -1.26 -4.42 116.66 116.57 2qa2 n ARG 42 Ca 0.22 0.54 -0.32 0.00 -1.00 0.00 0.00 57.85 57.29 2qa2 n ARG 42 Cb 0.55 -1.38 0.04 0.00 -1.05 0.00 0.00 32.46 30.62 2qa2 n ARG 42 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2qa2 s GLY 43 N -0.76 2.02 -0.26 2.89 0.00 -1.26 -4.90 107.32 105.05 2qa2 s GLY 43 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.13 2qa2 s GLY 43 CO 0.00 0.73 -0.04 1.08 0.00 0.00 0.00 173.10 174.87 2qa2 s LEU 44 N -4.96 2.97 0.00 0.66 1.43 -1.26 -2.01 118.68 115.51 2qa2 s LEU 44 Ca 0.64 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2qa2 s LEU 44 Cb -0.18 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2qa2 s LEU 44 CO 0.43 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2qa2 n GLY 45 N 4.59 -0.64 3.13 -3.19 0.00 0.46 -4.71 105.19 104.83 2qa2 n GLY 45 Ca -0.10 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 2qa2 n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qa2 s PHE 46 N -1.45 0.71 0.74 1.61 -0.12 -0.86 -4.90 117.98 113.72 2qa2 s PHE 46 Ca 0.00 -1.15 -0.11 0.00 -0.05 0.00 0.00 56.93 55.61 2qa2 s PHE 46 Cb 0.00 -0.43 0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2qa2 s PHE 46 CO 0.00 -0.47 1.08 0.95 -0.05 0.00 0.00 175.22 176.74 2qa2 s THR 47 N -3.99 3.49 0.20 -4.49 -4.23 -1.26 -1.31 115.64 104.05 2qa2 s THR 47 Ca 0.17 0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 61.00 2qa2 s THR 47 Cb 0.08 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.83 2qa2 s THR 47 CO -0.03 -0.63 1.60 0.00 -0.54 0.00 0.00 174.62 175.02 2qa2 h ALA 48 N -0.87 0.22 -0.31 3.99 0.00 -1.71 0.12 119.26 120.69 2qa2 h ALA 48 Ca -0.46 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2qa2 h ALA 48 Cb 1.25 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2qa2 h ALA 48 CO 0.59 -0.54 -0.30 -0.09 0.00 0.00 0.00 179.25 178.91 2qa2 h ARG 49 N -0.08 0.65 -0.72 0.00 9.65 -1.87 -0.04 114.38 121.96 2qa2 h ARG 49 Ca 0.28 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2qa2 h ARG 49 Cb 0.52 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 2qa2 h ARG 49 CO -0.69 0.87 0.18 1.15 2.80 0.00 0.00 179.97 184.29 2qa2 h THR 50 N 0.55 1.26 -0.69 0.20 2.02 -1.65 0.22 112.91 114.82 2qa2 h THR 50 Ca 0.07 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.33 2qa2 h THR 50 Cb 0.80 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2qa2 h THR 50 CO 0.07 0.37 0.40 -0.03 0.37 0.00 0.00 175.52 176.70 2qa2 h MET 51 N 1.08 0.71 -0.14 6.66 1.85 0.10 -2.11 114.93 123.09 2qa2 h MET 51 Ca 0.23 -0.04 -0.19 0.00 -0.61 0.00 0.00 59.70 59.09 2qa2 h MET 51 Cb 0.37 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.24 2qa2 h MET 51 CO 0.00 0.47 -0.69 0.93 -0.40 0.00 0.00 176.91 177.23 2qa2 h GLU 52 N 0.73 0.56 -0.41 0.39 5.08 0.12 -1.75 114.58 119.31 2qa2 h GLU 52 Ca 0.31 -0.43 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2qa2 h GLU 52 Cb 0.17 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2qa2 h GLU 52 CO -0.18 1.05 -0.24 -0.39 -1.00 0.00 0.00 179.01 178.25 2qa2 h VAL 53 N 0.40 1.27 -0.44 3.13 -1.51 -0.44 0.13 116.25 118.80 2qa2 h VAL 53 Ca -0.02 -1.38 0.05 0.00 -1.23 0.00 0.00 66.70 64.12 2qa2 h VAL 53 Cb 1.27 1.21 -0.05 0.00 -2.13 0.00 0.00 31.29 31.59 2qa2 h VAL 53 CO 0.13 0.46 0.16 -0.26 -1.23 0.00 0.00 177.57 176.83 2qa2 h PHE 54 N 0.72 0.28 -0.47 5.19 0.04 -1.29 -3.05 116.94 118.36 2qa2 h PHE 54 Ca 0.09 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 2qa2 h PHE 54 Cb 0.77 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 2qa2 h PHE 54 CO 0.04 0.11 -0.02 0.22 -0.60 0.00 0.00 178.31 178.06 2qa2 h ASP 55 N 0.33 0.76 -1.53 2.17 3.58 -0.78 -1.98 116.42 118.97 2qa2 h ASP 55 Ca 0.20 -0.19 0.44 0.00 0.42 0.00 0.00 57.03 57.91 2qa2 h ASP 55 Cb 0.19 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 2qa2 h ASP 55 CO -0.20 0.84 1.19 1.56 -2.88 0.00 0.00 179.24 179.74 2qa2 h GLN 56 N 0.73 0.00 -0.02 0.28 4.20 -0.64 -2.16 115.11 117.50 2qa2 h GLN 56 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2qa2 h GLN 56 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2qa2 h GLN 56 CO 0.02 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.72 2qa2 n ARG 57 N -3.88 0.06 -1.69 1.46 5.12 -0.77 -1.22 116.66 115.74 2qa2 n ARG 57 Ca 0.34 -0.86 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 2qa2 n ARG 57 Cb 1.66 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 2qa2 n ARG 57 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qa2 n GLY 58 N 0.11 0.57 0.05 -0.13 0.00 -0.81 -4.92 105.19 100.05 2qa2 n GLY 58 Ca 0.02 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.36 2qa2 n GLY 58 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qa2 n ILE 59 N -3.57 0.27 -0.09 -0.61 5.41 -1.08 -4.41 119.36 115.28 2qa2 n ILE 59 Ca 0.00 -0.50 -0.02 0.00 1.00 0.00 0.00 62.75 63.23 2qa2 n ILE 59 Cb 0.41 -0.11 0.22 0.00 -0.71 0.00 0.00 39.64 39.45 2qa2 n ILE 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2qa2 h LEU 60 N 0.00 0.68 -2.06 1.39 3.38 -1.91 -2.82 115.31 113.96 2qa2 h LEU 60 Ca 0.00 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qa2 h LEU 60 Cb 0.98 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2qa2 h LEU 60 CO 0.00 0.70 0.06 -0.65 0.09 0.00 0.00 178.44 178.64 2qa2 h PRO 61 N 0.70 0.00 0.00 1.13 0.11 -1.94 -1.85 132.00 130.15 2qa2 h PRO 61 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qa2 h PRO 61 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2qa2 h PRO 61 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2qa2 n ALA 62 N -2.52 1.58 1.06 -0.75 0.00 -1.06 -2.55 120.51 116.26 2qa2 n ALA 62 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 2qa2 n ALA 62 Cb 0.17 -1.17 0.40 0.00 0.00 0.00 0.00 19.45 18.84 2qa2 n ALA 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qa2 n PHE 63 N -1.39 0.00 -0.51 0.00 3.01 -0.69 -5.01 117.46 112.86 2qa2 n PHE 63 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2qa2 n PHE 63 Cb 0.11 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.24 2qa2 n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qa2 n GLY 64 N 1.47 -2.50 3.68 1.37 0.00 -1.06 -4.85 105.19 103.31 2qa2 n GLY 64 Ca 0.07 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.31 2qa2 n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qa2 n PRO 65 N -3.01 2.38 -4.17 1.61 -0.04 -1.26 -4.97 135.00 125.54 2qa2 n PRO 65 Ca -0.02 0.86 -0.10 0.00 -0.04 0.00 0.00 63.50 64.19 2qa2 n PRO 65 Cb 0.24 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 30.93 2qa2 n PRO 65 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qa2 s VAL 66 N 1.37 0.39 0.34 0.52 -7.23 -1.26 -5.17 120.40 109.36 2qa2 s VAL 66 Ca 0.79 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 59.13 2qa2 s VAL 66 Cb -0.62 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2qa2 s VAL 66 CO 0.37 -0.64 0.02 -1.61 -0.31 0.00 0.00 175.10 172.94 2qa2 s GLU 67 N -3.95 2.09 -0.12 4.82 2.02 -1.26 -5.07 118.70 117.24 2qa2 s GLU 67 Ca 0.19 -1.75 -0.05 0.00 0.02 0.00 0.00 54.97 53.38 2qa2 s GLU 67 Cb 0.07 -1.93 0.06 0.00 0.10 0.00 0.00 34.13 32.42 2qa2 s GLU 67 CO -0.01 0.12 0.24 -0.08 0.02 0.00 0.00 175.26 175.55 2qa2 s THR 68 N -2.52 -0.30 0.29 3.63 -1.32 -1.26 -2.87 115.64 111.29 2qa2 s THR 68 Ca 0.35 0.26 0.09 0.00 -1.21 0.00 0.00 61.69 61.18 2qa2 s THR 68 Cb 0.00 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 2qa2 s THR 68 CO 0.20 0.11 0.01 -0.55 -2.21 0.00 0.00 174.62 172.18 2qa2 s SER 69 N 2.10 4.49 -0.01 8.08 0.15 -1.22 -5.00 113.70 122.29 2qa2 s SER 69 Ca -0.01 -0.72 0.20 0.00 0.70 0.00 0.00 55.95 56.12 2qa2 s SER 69 Cb -0.12 -0.77 -0.27 0.00 -1.71 0.00 0.00 66.02 63.15 2qa2 s SER 69 CO -0.08 -0.07 0.63 0.35 1.20 0.00 0.00 173.24 175.27 2qa2 n THR 70 N -0.93 0.00 -2.70 6.45 -2.24 -1.26 -0.83 114.28 112.77 2qa2 n THR 70 Ca -0.06 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2qa2 n THR 70 Cb 0.60 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 2qa2 n THR 70 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2qa2 s GLN 71 N -3.14 3.32 0.18 -0.78 -0.21 -1.26 -0.97 119.66 116.80 2qa2 s GLN 71 Ca -0.00 -0.19 0.04 0.00 0.02 0.00 0.00 55.36 55.23 2qa2 s GLN 71 Cb 0.14 -4.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.04 2qa2 s GLN 71 CO 0.82 -1.74 0.16 0.41 -2.12 0.00 0.00 175.29 172.82 2qa2 n GLY 72 N 5.19 3.39 3.38 3.09 0.00 -0.95 -4.95 105.19 114.35 2qa2 n GLY 72 Ca 0.03 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 2qa2 n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qa2 s HIS 73 N -2.78 1.85 -0.39 1.61 -3.43 -1.26 0.13 115.29 111.02 2qa2 s HIS 73 Ca 0.22 -0.57 -0.04 0.00 -0.80 0.00 0.00 55.06 53.87 2qa2 s HIS 73 Cb 0.01 -0.90 0.09 0.00 -1.43 0.00 0.00 32.58 30.35 2qa2 s HIS 73 CO 0.15 0.39 0.17 0.12 -2.00 0.00 0.00 174.74 173.58 2qa2 s PHE 74 N -2.92 3.48 -1.25 0.38 5.36 -0.09 -4.77 117.98 118.17 2qa2 s PHE 74 Ca 0.25 -2.14 -0.01 0.00 -0.96 0.00 0.00 56.93 54.08 2qa2 s PHE 74 Cb -0.00 -2.95 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 2qa2 s PHE 74 CO 0.09 -0.91 0.83 0.41 -1.46 0.00 0.00 175.22 174.18 2qa2 n GLY 75 N 4.66 -0.37 1.57 13.12 0.00 -1.26 -2.37 105.19 120.54 2qa2 n GLY 75 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qa2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa2 n GLY 76 N -1.38 2.80 3.63 -0.02 0.00 -1.26 -4.16 105.19 104.80 2qa2 n GLY 76 Ca -0.28 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2qa2 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qa2 s ARG 77 N 0.00 4.03 0.17 1.61 1.81 -1.00 -4.91 118.95 120.66 2qa2 s ARG 77 Ca 0.00 0.96 -0.32 0.00 -1.72 0.00 0.00 55.73 54.65 2qa2 s ARG 77 Cb 0.00 -3.75 -0.11 0.00 -0.45 0.00 0.00 34.95 30.64 2qa2 s ARG 77 CO 0.00 -0.89 1.78 -2.30 -0.68 0.00 0.00 175.30 173.20 2qa2 n PRO 78 N 6.81 2.78 -4.80 3.54 -0.02 -1.26 -0.92 135.00 141.13 2qa2 n PRO 78 Ca 0.11 1.01 -0.31 0.00 -2.02 0.00 0.00 63.50 62.29 2qa2 n PRO 78 Cb 0.47 -2.88 -0.17 0.00 -0.02 0.00 0.00 33.50 30.91 2qa2 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qa2 s VAL 79 N 1.87 1.85 -0.41 -1.45 1.01 0.34 -4.84 120.40 118.76 2qa2 s VAL 79 Ca 0.78 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2qa2 s VAL 79 Cb -0.50 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2qa2 s VAL 79 CO 0.34 0.51 1.13 -0.62 0.00 0.00 0.00 175.10 176.46 2qa2 s ASP 80 N 0.68 6.73 0.08 3.32 -1.08 -1.26 -2.24 116.67 122.90 2qa2 s ASP 80 Ca -0.12 0.71 0.21 0.00 -0.52 0.00 0.00 52.55 52.83 2qa2 s ASP 80 Cb -0.16 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.61 2qa2 s ASP 80 CO 0.02 -1.12 1.66 0.49 0.52 0.00 0.00 175.17 176.74 2qa2 n PHE 81 N 7.52 0.27 -0.28 -5.34 0.99 -0.15 -3.64 117.46 116.82 2qa2 n PHE 81 Ca 0.12 0.09 0.02 0.00 -0.00 0.00 0.00 57.45 57.68 2qa2 n PHE 81 Cb 0.48 -0.65 0.15 0.00 -1.00 0.00 0.00 39.48 38.46 2qa2 n PHE 81 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2qa2 h GLY 82 N 3.27 1.23 0.72 1.37 0.00 -1.76 -3.16 103.07 104.74 2qa2 h GLY 82 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.06 2qa2 h GLY 82 CO 0.00 0.16 0.59 -0.24 0.00 0.00 0.00 176.54 177.05 2qa2 h VAL 83 N 0.81 0.07 -3.58 4.60 3.04 -1.92 -3.34 116.25 115.93 2qa2 h VAL 83 Ca 0.38 0.00 -0.67 0.00 -1.01 0.00 0.00 66.70 65.40 2qa2 h VAL 83 Cb 0.29 0.45 -0.17 0.00 -2.01 0.00 0.00 31.29 29.85 2qa2 h VAL 83 CO -0.22 0.00 -0.12 -0.22 -1.01 0.00 0.00 177.57 176.00 2qa2 s LEU 84 N -5.97 4.60 -0.43 3.16 2.96 -1.19 -4.82 118.68 116.99 2qa2 s LEU 84 Ca -0.03 -0.38 -0.46 0.00 -0.22 0.00 0.00 54.13 53.04 2qa2 s LEU 84 Cb 0.09 -2.49 -0.20 0.00 0.50 0.00 0.00 46.19 44.09 2qa2 s LEU 84 CO 0.28 -0.56 1.56 1.21 -1.32 0.00 0.00 176.35 177.53 2qa2 n GLU 85 N 5.73 0.11 -3.31 1.98 2.13 -1.25 -1.55 120.64 124.47 2qa2 n GLU 85 Ca -0.06 0.04 -0.16 0.00 0.66 0.00 0.00 57.16 57.65 2qa2 n GLU 85 Cb 0.48 -1.56 0.08 0.00 0.27 0.00 0.00 31.44 30.71 2qa2 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qa2 n GLY 86 N 3.76 -0.40 3.32 8.31 0.00 -1.26 -5.05 105.19 113.87 2qa2 n GLY 86 Ca 0.29 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 2qa2 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa2 s ALA 87 N -3.34 1.79 0.17 4.61 0.00 -0.59 -5.12 121.76 119.28 2qa2 s ALA 87 Ca 0.06 -1.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.04 2qa2 s ALA 87 Cb -0.01 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.65 2qa2 s ALA 87 CO 0.69 -0.24 1.03 -3.38 0.00 0.00 0.00 175.76 173.86 2qa2 s HIS 88 N -3.41 0.04 0.04 0.00 -3.43 -1.26 -4.36 115.29 102.91 2qa2 s HIS 88 Ca 0.28 -0.42 -0.13 0.00 -0.80 0.00 0.00 55.06 53.99 2qa2 s HIS 88 Cb 0.05 0.69 -0.33 0.00 -1.43 0.00 0.00 32.58 31.56 2qa2 s HIS 88 CO 0.08 -0.89 1.05 -0.92 -2.00 0.00 0.00 174.74 172.06 2qa2 h TYR 89 N 2.00 0.90 0.00 0.38 3.20 -1.22 -3.39 116.97 118.84 2qa2 h TYR 89 Ca -0.27 -0.64 0.00 0.00 3.14 0.00 0.00 58.73 60.96 2qa2 h TYR 89 Cb 1.22 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2qa2 h TYR 89 CO 1.18 1.49 0.00 0.41 -1.64 0.00 0.00 178.16 179.61 2qa2 n GLY 90 N 1.61 0.09 3.81 1.82 0.00 -1.25 -4.10 105.19 107.18 2qa2 n GLY 90 Ca -0.15 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 2qa2 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa2 s VAL 91 N -2.94 5.19 -0.08 1.61 1.01 -0.43 -3.37 120.40 121.38 2qa2 s VAL 91 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2qa2 s VAL 91 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2qa2 s VAL 91 CO 0.00 0.53 0.13 0.50 0.00 0.00 0.00 175.10 176.26 2qa2 h LYS 92 N 5.32 -0.11 0.07 2.72 3.11 -1.85 -2.28 116.57 123.54 2qa2 h LYS 92 Ca -0.49 0.01 -0.37 0.00 -2.81 0.00 0.00 60.65 56.99 2qa2 h LYS 92 Cb 1.21 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.42 2qa2 h LYS 92 CO 0.65 -0.07 -2.17 0.00 -2.81 0.00 0.00 179.45 175.04 2qa2 n ALA 93 N -2.73 1.16 -1.61 5.00 0.00 -1.26 -3.71 120.51 117.36 2qa2 n ALA 93 Ca -0.01 -0.83 -0.64 0.00 0.00 0.00 0.00 53.44 51.96 2qa2 n ALA 93 Cb 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 2qa2 n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qa2 n VAL 94 N -3.33 0.04 -2.24 0.00 0.31 -1.26 -3.11 118.33 108.73 2qa2 n VAL 94 Ca -0.36 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.55 2qa2 n VAL 94 Cb 1.03 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 2qa2 n VAL 94 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qa2 s PRO 95 N 3.93 4.45 0.26 5.55 0.04 -1.26 0.17 135.00 148.14 2qa2 s PRO 95 Ca 1.08 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 64.10 2qa2 s PRO 95 Cb -1.44 -3.12 0.38 0.00 0.04 0.00 0.00 34.50 30.36 2qa2 s PRO 95 CO 0.75 -0.07 1.58 0.37 0.04 0.00 0.00 177.00 179.67 2qa2 h GLN 96 N 3.75 -0.00 -1.20 4.56 4.15 -1.61 0.30 115.11 125.05 2qa2 h GLN 96 Ca -0.48 0.00 0.37 0.00 0.77 0.00 0.00 58.65 59.32 2qa2 h GLN 96 Cb 1.22 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.79 2qa2 h GLN 96 CO 0.67 -0.00 0.77 0.66 -1.93 0.00 0.00 178.83 179.00 2qa2 h SER 97 N -0.00 0.32 0.12 -0.69 4.64 -1.88 0.91 113.55 116.98 2qa2 h SER 97 Ca 0.42 0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.69 2qa2 h SER 97 Cb 0.65 0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2qa2 h SER 97 CO -0.92 -0.10 -0.82 0.74 -0.87 0.00 0.00 176.83 174.86 2qa2 h THR 98 N 0.19 1.47 -0.62 2.95 2.02 -0.80 -0.73 112.91 117.40 2qa2 h THR 98 Ca 0.74 -2.50 0.13 0.00 0.77 0.00 0.00 66.41 65.55 2qa2 h THR 98 Cb 2.17 3.15 -0.10 0.00 -1.74 0.00 0.00 68.15 71.63 2qa2 h THR 98 CO -0.40 0.70 0.06 0.74 0.37 0.00 0.00 175.52 176.99 2qa2 h THR 99 N -0.44 0.55 -0.45 3.16 2.02 -0.61 0.75 112.91 117.89 2qa2 h THR 99 Ca -0.15 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 2qa2 h THR 99 Cb 1.59 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2qa2 h THR 99 CO 0.12 0.03 0.09 -0.33 0.37 0.00 0.00 175.52 175.80 2qa2 h GLU 100 N 0.18 0.74 -0.23 6.66 5.08 0.77 -0.17 114.58 127.60 2qa2 h GLU 100 Ca 0.33 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2qa2 h GLU 100 Cb 0.52 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 2qa2 h GLU 100 CO -0.48 0.75 -0.37 1.03 -1.00 0.00 0.00 179.01 178.94 2qa2 h SER 101 N 0.61 -1.18 -0.10 1.42 0.87 -0.56 -1.41 113.55 113.20 2qa2 h SER 101 Ca 0.14 0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 2qa2 h SER 101 Cb 0.36 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 2qa2 h SER 101 CO 0.01 -0.37 -0.21 0.58 -0.53 0.00 0.00 176.83 176.31 2qa2 h VAL 102 N -0.38 0.49 -0.39 2.23 2.07 0.14 -2.58 116.25 117.83 2qa2 h VAL 102 Ca 0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 2qa2 h VAL 102 Cb 0.58 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2qa2 h VAL 102 CO -0.44 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 176.98 2qa2 h LEU 103 N -0.28 0.77 -0.17 2.57 3.38 -0.78 -1.43 115.31 119.36 2qa2 h LEU 103 Ca 0.09 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2qa2 h LEU 103 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2qa2 h LEU 103 CO -0.26 0.95 -0.21 -0.08 0.09 0.00 0.00 178.44 178.93 2qa2 h GLU 104 N 0.57 -0.13 -1.11 1.13 4.81 -1.23 -1.00 114.58 117.62 2qa2 h GLU 104 Ca 0.10 0.01 0.33 0.00 -0.13 0.00 0.00 59.36 59.67 2qa2 h GLU 104 Cb 0.62 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 2qa2 h GLU 104 CO 0.04 -0.09 0.69 1.49 -0.73 0.00 0.00 179.01 180.42 2qa2 h GLU 105 N -0.13 0.29 0.03 1.92 4.81 -0.92 -1.70 114.58 118.87 2qa2 h GLU 105 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2qa2 h GLU 105 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2qa2 h GLU 105 CO -0.23 0.19 -0.01 2.35 -0.73 0.00 0.00 179.01 180.57 2qa2 h TRP 106 N 0.30 -0.04 -0.96 0.92 7.01 -0.65 -2.26 115.95 120.26 2qa2 h TRP 106 Ca 0.70 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.89 2qa2 h TRP 106 Cb 1.85 0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 28.84 2qa2 h TRP 106 CO -0.01 -0.02 0.61 0.00 -2.79 0.00 0.00 178.44 176.23 2qa2 h ALA 107 N -1.98 1.92 -0.69 2.65 0.00 -0.49 0.64 119.26 121.32 2qa2 h ALA 107 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qa2 h ALA 107 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2qa2 h ALA 107 CO 0.01 -0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.29 2qa2 h LEU 108 N 0.61 0.88 -1.37 0.00 3.38 -1.42 -0.84 115.31 116.55 2qa2 h LEU 108 Ca 0.53 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.46 2qa2 h LEU 108 Cb 1.02 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2qa2 h LEU 108 CO -0.28 0.75 0.50 1.23 0.09 0.00 0.00 178.44 180.72 2qa2 h GLY 109 N 0.95 0.99 0.53 0.83 0.00 0.76 -0.42 103.07 106.71 2qa2 h GLY 109 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2qa2 h GLY 109 CO -0.03 0.20 0.00 0.54 0.00 0.00 0.00 176.54 177.24 2qa2 n ARG 110 N -4.49 0.95 -2.35 4.80 5.12 0.40 -4.88 116.66 116.20 2qa2 n ARG 110 Ca 0.12 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.99 2qa2 n ARG 110 Cb 0.28 -1.27 0.01 0.00 -1.16 0.00 0.00 32.46 30.32 2qa2 n ARG 110 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qa2 n GLY 111 N 0.69 0.38 3.84 -0.13 0.00 -0.17 -4.82 105.19 104.99 2qa2 n GLY 111 Ca 0.12 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 2qa2 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa2 s ALA 112 N -2.57 3.37 -0.33 4.61 0.00 -0.45 -4.81 121.76 121.59 2qa2 s ALA 112 Ca 0.05 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 2qa2 s ALA 112 Cb -0.02 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 2qa2 s ALA 112 CO 0.06 0.35 0.45 -2.00 0.00 0.00 0.00 175.76 174.62 2qa2 s GLU 113 N -2.74 3.71 -0.21 0.00 2.12 -0.97 -4.60 118.70 116.01 2qa2 s GLU 113 Ca 0.51 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 2qa2 s GLU 113 Cb -0.12 -3.77 -0.01 0.00 0.26 0.00 0.00 34.13 30.50 2qa2 s GLU 113 CO 0.18 -0.52 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.17 2qa2 s LEU 114 N 2.23 2.93 -0.32 2.70 2.96 -1.26 -0.05 118.68 127.86 2qa2 s LEU 114 Ca 0.16 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2qa2 s LEU 114 Cb -0.16 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2qa2 s LEU 114 CO 0.12 -0.00 0.07 -0.76 -1.32 0.00 0.00 176.35 174.45 2qa2 s LEU 115 N 1.38 4.16 0.27 -0.68 1.43 0.18 -4.97 118.68 120.45 2qa2 s LEU 115 Ca 0.05 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2qa2 s LEU 115 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2qa2 s LEU 115 CO -0.02 -0.30 0.45 -0.13 0.23 0.00 0.00 176.35 176.58 2qa2 s ARG 116 N 1.35 3.50 -1.22 1.70 0.52 -1.26 -0.98 118.95 122.55 2qa2 s ARG 116 Ca -0.03 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2qa2 s ARG 116 Cb -0.20 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2qa2 s ARG 116 CO 0.01 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2qa2 n GLY 117 N -1.22 0.12 3.12 -3.53 0.00 -0.20 -4.80 105.19 98.68 2qa2 n GLY 117 Ca -0.05 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2qa2 n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qa2 s HIS 118 N -2.64 2.95 -0.18 1.61 3.76 -0.53 -3.46 115.29 116.78 2qa2 s HIS 118 Ca 0.00 -1.81 -0.03 0.00 -0.15 0.00 0.00 55.06 53.08 2qa2 s HIS 118 Cb 0.00 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 2qa2 s HIS 118 CO 0.00 -0.81 -0.06 0.99 -0.85 0.00 0.00 174.74 174.00 2qa2 s THR 119 N 1.25 3.39 -0.03 1.30 2.01 -0.31 -2.60 115.64 120.64 2qa2 s THR 119 Ca 0.01 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 2qa2 s THR 119 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2qa2 s THR 119 CO -0.10 0.46 0.88 -0.69 -0.69 0.00 0.00 174.62 174.48 2qa2 s VAL 120 N 0.98 4.93 -0.07 3.82 1.01 -1.26 -1.07 120.40 128.74 2qa2 s VAL 120 Ca -0.00 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.86 2qa2 s VAL 120 Cb -0.15 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 2qa2 s VAL 120 CO 0.00 0.19 -0.00 0.54 0.00 0.00 0.00 175.10 175.83 2qa2 n ARG 121 N 3.90 2.21 -3.82 2.72 1.74 -0.64 -4.93 116.66 117.84 2qa2 n ARG 121 Ca 0.03 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2qa2 n ARG 121 Cb 0.51 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 2qa2 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa2 s ALA 122 N -2.17 -0.89 -0.06 7.54 0.00 -1.24 -5.02 121.76 119.92 2qa2 s ALA 122 Ca -0.06 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 2qa2 s ALA 122 Cb 0.02 0.90 0.08 0.00 0.00 0.00 0.00 23.12 24.12 2qa2 s ALA 122 CO 0.27 -0.88 0.71 -0.48 0.00 0.00 0.00 175.76 175.38 2qa2 s LEU 123 N -2.91 -0.63 -0.05 0.00 0.05 -1.26 -0.74 118.68 113.13 2qa2 s LEU 123 Ca 0.12 0.69 0.01 0.00 0.05 0.00 0.00 54.13 55.00 2qa2 s LEU 123 Cb -0.02 2.47 0.02 0.00 -2.05 0.00 0.00 46.19 46.61 2qa2 s LEU 123 CO 0.02 -0.58 -0.05 -0.89 -0.55 0.00 0.00 176.35 174.30 2qa2 s THR 124 N -1.17 0.57 -0.37 5.48 2.01 -0.88 -4.70 115.64 116.57 2qa2 s THR 124 Ca -0.10 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 2qa2 s THR 124 Cb -0.00 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.92 2qa2 s THR 124 CO 0.09 0.24 0.79 -0.62 -0.69 0.00 0.00 174.62 174.43 2qa2 s ASP 125 N 1.02 6.55 0.00 3.53 -1.08 -1.26 -0.95 116.67 124.48 2qa2 s ASP 125 Ca -0.09 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.53 2qa2 s ASP 125 Cb -0.14 -2.40 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 2qa2 s ASP 125 CO -0.00 -0.75 1.51 -0.62 0.52 0.00 0.00 175.17 175.82 2qa2 n GLU 126 N 6.47 1.68 0.00 4.34 -0.58 0.62 -5.00 120.64 128.16 2qa2 n GLU 126 Ca 0.03 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.60 2qa2 n GLU 126 Cb 0.48 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2qa2 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qa2 n GLY 127 N 1.28 2.18 0.21 0.62 0.00 -1.26 -4.66 105.19 103.56 2qa2 n GLY 127 Ca 0.15 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.56 2qa2 n GLY 127 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qa2 h ASP 128 N 0.00 0.00 -3.21 1.61 3.04 -1.99 -3.48 116.42 112.40 2qa2 h ASP 128 Ca 0.00 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.66 2qa2 h ASP 128 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 2qa2 h ASP 128 CO 0.00 0.14 0.07 0.00 -2.04 0.00 0.00 179.24 177.41 2qa2 n HIS 129 N -3.16 -1.80 -4.43 4.15 1.44 -1.26 -4.87 115.22 105.28 2qa2 n HIS 129 Ca 0.03 -1.85 -0.20 0.00 -2.01 0.00 0.00 57.72 53.68 2qa2 n HIS 129 Cb 0.53 0.66 -0.15 0.00 0.12 0.00 0.00 29.99 31.15 2qa2 n HIS 129 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qa2 s VAL 130 N -2.48 0.82 0.05 0.61 1.01 0.62 -0.28 120.40 120.76 2qa2 s VAL 130 Ca 0.20 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2qa2 s VAL 130 Cb -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2qa2 s VAL 130 CO 0.14 0.25 0.14 -0.69 0.00 0.00 0.00 175.10 174.94 2qa2 s VAL 131 N 0.02 4.99 -0.04 2.92 1.01 -0.13 -1.05 120.40 128.12 2qa2 s VAL 131 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2qa2 s VAL 131 Cb -0.07 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2qa2 s VAL 131 CO 0.00 0.18 0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2qa2 s VAL 132 N -1.40 -0.11 0.01 2.92 1.01 0.13 -2.08 120.40 120.88 2qa2 s VAL 132 Ca 0.30 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2qa2 s VAL 132 Cb -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2qa2 s VAL 132 CO 0.23 0.17 0.99 -1.61 0.00 0.00 0.00 175.10 174.88 2qa2 s GLU 133 N 2.17 4.56 -0.05 2.72 0.41 0.08 -1.81 118.70 126.78 2qa2 s GLU 133 Ca 0.05 1.45 -0.01 0.00 -0.41 0.00 0.00 54.97 56.04 2qa2 s GLU 133 Cb -0.12 -3.45 0.03 0.00 -1.78 0.00 0.00 34.13 28.81 2qa2 s GLU 133 CO -0.03 -0.05 0.03 0.08 -0.49 0.00 0.00 175.26 174.79 2qa2 s VAL 134 N 0.97 0.10 -0.51 2.63 1.01 -0.77 -1.62 120.40 122.21 2qa2 s VAL 134 Ca 0.52 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 2qa2 s VAL 134 Cb -0.22 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 35.92 2qa2 s VAL 134 CO 0.28 0.19 0.70 -0.70 0.00 0.00 0.00 175.10 175.58 2qa2 s GLU 135 N 1.82 3.19 0.00 2.72 2.56 -0.23 -0.31 118.70 128.45 2qa2 s GLU 135 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 54.97 54.29 2qa2 s GLU 135 Cb -0.12 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 31.93 2qa2 s GLU 135 CO -0.03 -1.27 0.00 0.41 -0.56 0.00 0.00 175.26 173.81 2qa2 n GLY 136 N 5.15 3.12 0.19 -1.50 0.00 0.10 -1.16 105.19 111.09 2qa2 n GLY 136 Ca -0.04 -2.16 -0.04 0.00 0.00 0.00 0.00 46.02 43.77 2qa2 n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa2 h PRO 137 N 0.00 0.34 -0.00 1.61 0.13 -1.87 -2.59 132.00 129.62 2qa2 h PRO 137 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2qa2 h PRO 137 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2qa2 h PRO 137 CO 0.00 0.22 -0.47 -0.25 -0.23 0.00 0.00 178.00 177.28 2qa2 n ASP 138 N -4.99 0.62 0.00 1.44 9.92 -1.26 -5.05 116.55 117.22 2qa2 n ASP 138 Ca 0.04 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 2qa2 n ASP 138 Cb 0.16 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2qa2 n ASP 138 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qa2 n GLY 139 N 1.47 0.74 3.72 0.44 0.00 -0.98 -5.09 105.19 105.49 2qa2 n GLY 139 Ca 0.07 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 2qa2 n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qa2 s PRO 140 N -2.00 4.42 0.31 1.61 0.05 -1.26 0.01 135.00 138.15 2qa2 s PRO 140 Ca 0.00 0.82 0.05 0.00 0.05 0.00 0.00 61.00 61.92 2qa2 s PRO 140 Cb 0.00 -3.45 -0.06 0.00 0.05 0.00 0.00 34.50 31.04 2qa2 s PRO 140 CO 0.00 0.08 0.00 1.03 0.05 0.00 0.00 177.00 178.16 2qa2 s ARG 141 N 0.78 1.62 -0.09 4.56 0.52 0.58 -4.97 118.95 121.94 2qa2 s ARG 141 Ca 0.36 -1.86 -0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2qa2 s ARG 141 Cb -0.17 -1.05 0.02 0.00 0.52 0.00 0.00 34.95 34.27 2qa2 s ARG 141 CO 0.17 -0.07 -0.05 -1.12 0.02 0.00 0.00 175.30 174.24 2qa2 s SER 142 N -3.48 1.90 0.23 0.23 0.01 -1.26 -1.84 113.70 109.49 2qa2 s SER 142 Ca 0.33 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.46 2qa2 s SER 142 Cb 0.07 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 2qa2 s SER 142 CO 0.14 -0.13 -0.05 -0.76 0.41 0.00 0.00 173.24 172.85 2qa2 s LEU 143 N 1.67 3.09 -0.02 2.44 1.43 -0.75 -4.93 118.68 121.61 2qa2 s LEU 143 Ca 0.03 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2qa2 s LEU 143 Cb -0.13 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2qa2 s LEU 143 CO -0.06 0.04 -0.14 -0.89 0.23 0.00 0.00 176.35 175.53 2qa2 s THR 144 N -2.10 1.16 0.22 5.49 2.01 -1.26 -0.69 115.64 120.46 2qa2 s THR 144 Ca 0.29 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 2qa2 s THR 144 Cb -0.07 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2qa2 s THR 144 CO 0.18 0.33 0.45 0.28 -0.69 0.00 0.00 174.62 175.17 2qa2 s THR 145 N -0.24 0.02 -0.01 -0.82 -1.32 -0.21 -1.37 115.64 111.68 2qa2 s THR 145 Ca 0.04 -1.24 0.03 0.00 -1.21 0.00 0.00 61.69 59.30 2qa2 s THR 145 Cb -0.07 -1.98 -0.25 0.00 -1.51 0.00 0.00 72.50 68.70 2qa2 s THR 145 CO -0.00 -0.09 0.78 0.03 -2.21 0.00 0.00 174.62 173.13 2qa2 h ARG 146 N 2.29 0.13 -3.95 7.08 3.08 -1.44 0.18 114.38 121.76 2qa2 h ARG 146 Ca -0.28 -0.23 -0.21 0.00 0.07 0.00 0.00 59.98 59.33 2qa2 h ARG 146 Cb 1.25 0.09 -0.24 0.00 0.08 0.00 0.00 29.97 31.14 2qa2 h ARG 146 CO 0.38 0.90 -0.71 0.71 -1.07 0.00 0.00 179.97 180.18 2qa2 s TYR 147 N -2.61 0.21 -0.08 3.04 1.51 -0.94 -4.64 117.35 113.84 2qa2 s TYR 147 Ca -0.08 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 2qa2 s TYR 147 Cb 0.08 -0.14 -0.01 0.00 -0.11 0.00 0.00 41.96 41.78 2qa2 s TYR 147 CO 0.83 -0.10 -0.24 0.08 -1.11 0.00 0.00 175.55 175.00 2qa2 s VAL 148 N -0.82 2.06 -0.23 0.71 1.01 -1.11 -0.60 120.40 121.43 2qa2 s VAL 148 Ca -0.08 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2qa2 s VAL 148 Cb -0.06 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2qa2 s VAL 148 CO -0.00 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 2qa2 s VAL 149 N 0.10 2.25 -0.47 2.92 1.01 -0.41 -1.08 120.40 124.72 2qa2 s VAL 149 Ca -0.12 -1.24 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 2qa2 s VAL 149 Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2qa2 s VAL 149 CO 0.06 0.24 1.82 -0.83 0.00 0.00 0.00 175.10 176.39 2qa2 s GLY 150 N 1.22 0.50 -0.26 4.51 0.00 0.16 -2.18 107.32 111.27 2qa2 s GLY 150 Ca -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 44.72 44.58 2qa2 s GLY 150 CO -0.08 3.33 1.20 0.00 0.00 0.00 0.00 173.10 177.54 2qa2 n ASP 152 N -0.81 4.17 -0.02 0.00 5.75 -0.91 -4.26 116.55 120.47 2qa2 n ASP 152 Ca 0.34 -3.47 0.00 0.00 -0.01 0.00 0.00 54.79 51.65 2qa2 n ASP 152 Cb 0.88 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2qa2 n ASP 152 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qa2 n GLY 153 N -0.77 -2.04 0.36 6.12 0.00 -1.26 -3.88 105.19 103.71 2qa2 n GLY 153 Ca 0.53 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 45.19 2qa2 n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qa2 h GLY 154 N 0.00 1.55 -4.11 -0.02 0.00 -1.94 -1.74 103.07 96.81 2qa2 h GLY 154 Ca 0.00 -0.43 -0.69 0.00 0.00 0.00 0.00 47.33 46.22 2qa2 h GLY 154 CO 0.00 0.22 0.84 0.54 0.00 0.00 0.00 176.54 178.14 2qa2 n ARG 155 N -4.60 2.73 -1.69 4.80 1.74 -1.26 -4.81 116.66 113.57 2qa2 n ARG 155 Ca 0.17 -3.35 -0.66 0.00 -0.77 0.00 0.00 57.85 53.24 2qa2 n ARG 155 Cb 0.28 -2.29 -0.10 0.00 -1.02 0.00 0.00 32.46 29.34 2qa2 n ARG 155 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qa2 n SER 156 N -0.87 1.14 -0.16 0.55 2.88 -0.67 -4.86 113.62 111.63 2qa2 n SER 156 Ca 0.61 1.15 -0.08 0.00 -1.33 0.00 0.00 58.87 59.22 2qa2 n SER 156 Cb 0.62 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2qa2 n SER 156 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qa2 h THR 157 N 4.79 1.20 -0.17 2.46 2.02 -1.90 -3.18 112.91 118.13 2qa2 h THR 157 Ca -0.43 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.18 2qa2 h THR 157 Cb 1.33 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 2qa2 h THR 157 CO 0.94 0.23 -0.15 0.58 0.37 0.00 0.00 175.52 177.49 2qa2 h VAL 158 N 0.61 0.58 -0.84 3.16 2.07 -1.92 0.39 116.25 120.30 2qa2 h VAL 158 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2qa2 h VAL 158 Cb 0.18 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2qa2 h VAL 158 CO -0.01 0.00 0.51 -0.09 0.02 0.00 0.00 177.57 178.00 2qa2 h ARG 159 N -0.17 0.88 -0.26 1.57 2.43 -1.93 0.30 114.38 117.21 2qa2 h ARG 159 Ca 0.11 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 2qa2 h ARG 159 Cb 0.33 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2qa2 h ARG 159 CO -0.27 0.58 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.22 2qa2 h LYS 160 N 0.91 0.68 0.74 0.20 3.64 -1.46 0.08 116.57 121.36 2qa2 h LYS 160 Ca 0.38 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2qa2 h LYS 160 Cb 0.23 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2qa2 h LYS 160 CO -0.19 1.00 -0.36 0.00 -2.27 0.00 0.00 179.45 177.63 2qa2 h ALA 161 N 0.67 -0.99 0.00 5.00 0.00 0.43 -2.59 119.26 121.77 2qa2 h ALA 161 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qa2 h ALA 161 Cb 0.91 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qa2 h ALA 161 CO 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.31 2qa2 n ALA 162 N -2.57 2.03 -2.93 0.00 0.00 0.92 -4.88 120.51 113.08 2qa2 n ALA 162 Ca -0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 2qa2 n ALA 162 Cb 0.41 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.69 2qa2 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa2 n GLY 163 N -0.08 0.27 3.62 0.00 0.00 -0.98 -5.04 105.19 102.98 2qa2 n GLY 163 Ca 0.09 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2qa2 n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qa2 s PHE 164 N -3.10 1.77 -0.15 1.61 0.40 -0.00 -5.04 117.98 113.47 2qa2 s PHE 164 Ca 0.24 0.96 -0.06 0.00 -0.60 0.00 0.00 56.93 57.48 2qa2 s PHE 164 Cb -0.11 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 2qa2 s PHE 164 CO 0.30 -3.27 0.04 0.34 0.70 0.00 0.00 175.22 173.34 2qa2 s ASP 165 N -3.28 5.49 -0.49 1.36 -1.08 -1.26 -4.93 116.67 112.47 2qa2 s ASP 165 Ca 0.67 0.10 0.08 0.00 -0.52 0.00 0.00 52.55 52.87 2qa2 s ASP 165 Cb -0.19 -1.84 0.30 0.00 -1.46 0.00 0.00 42.92 39.73 2qa2 s ASP 165 CO 0.59 0.24 0.75 0.33 0.52 0.00 0.00 175.17 177.60 2qa2 n PHE 166 N 3.09 1.92 -2.11 -5.34 7.35 -1.26 -2.63 117.46 118.48 2qa2 n PHE 166 Ca -0.17 -3.89 -0.33 0.00 -0.76 0.00 0.00 57.45 52.30 2qa2 n PHE 166 Cb 0.53 -0.46 0.01 0.00 0.35 0.00 0.00 39.48 39.91 2qa2 n PHE 166 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2qa2 s PRO 167 N -2.45 3.38 0.00 -7.13 0.04 -1.25 -4.62 135.00 122.98 2qa2 s PRO 167 Ca 0.41 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2qa2 s PRO 167 Cb 0.24 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2qa2 s PRO 167 CO -0.09 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2qa2 n GLY 168 N -0.89 0.53 3.26 0.56 0.00 -1.26 -1.87 105.19 105.53 2qa2 n GLY 168 Ca 0.09 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 2qa2 n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qa2 s THR 169 N -3.07 1.79 1.04 2.61 -4.23 0.25 -4.92 115.64 109.11 2qa2 s THR 169 Ca 0.00 -1.09 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 2qa2 s THR 169 Cb 0.00 -1.51 0.21 0.00 1.34 0.00 0.00 72.50 72.53 2qa2 s THR 169 CO 0.00 0.39 1.13 -0.44 -0.54 0.00 0.00 174.62 175.16 2qa2 s SER 170 N -0.83 2.37 0.61 3.99 0.01 -1.26 -0.42 113.70 118.16 2qa2 s SER 170 Ca 0.09 0.90 -0.16 0.00 1.31 0.00 0.00 55.95 58.08 2qa2 s SER 170 Cb -0.09 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2qa2 s SER 170 CO 0.00 -3.26 1.09 0.00 0.41 0.00 0.00 173.24 171.48 2qa2 s ALA 171 N -3.12 2.64 -0.04 1.44 0.00 -1.26 -4.59 121.76 116.82 2qa2 s ALA 171 Ca 0.67 0.52 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2qa2 s ALA 171 Cb -0.14 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 2qa2 s ALA 171 CO 0.56 -0.96 0.04 -1.13 0.00 0.00 0.00 175.76 174.27 2qa2 n SER 172 N -2.03 3.87 -5.00 0.00 3.41 -1.26 -4.73 113.62 107.87 2qa2 n SER 172 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 2qa2 n SER 172 Cb 0.52 0.75 0.01 0.00 -0.26 0.00 0.00 64.21 65.23 2qa2 n SER 172 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qa2 s ARG 173 N -2.16 2.82 -0.08 4.33 0.52 -1.26 -3.06 118.95 120.05 2qa2 s ARG 173 Ca -0.02 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 53.96 2qa2 s ARG 173 Cb 0.02 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.76 2qa2 s ARG 173 CO 0.19 -0.25 -0.13 -2.00 0.02 0.00 0.00 175.30 173.13 2qa2 s GLU 174 N -4.33 1.90 0.25 3.54 2.12 -1.20 -4.19 118.70 116.80 2qa2 s GLU 174 Ca 0.54 -0.47 0.10 0.00 0.36 0.00 0.00 54.97 55.50 2qa2 s GLU 174 Cb -0.10 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.66 2qa2 s GLU 174 CO 0.33 -0.00 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.38 2qa2 s MET 175 N 0.79 2.24 0.02 4.30 -1.94 -0.45 -4.59 119.30 119.68 2qa2 s MET 175 Ca -0.12 -1.41 0.05 0.00 -1.71 0.00 0.00 55.69 52.51 2qa2 s MET 175 Cb -0.16 -2.15 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 2qa2 s MET 175 CO 0.02 0.37 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.21 2qa2 s PHE 176 N -2.24 2.70 -0.08 -0.03 2.99 -0.71 -2.30 117.98 118.31 2qa2 s PHE 176 Ca 0.30 -0.16 0.02 0.00 0.00 0.00 0.00 56.93 57.10 2qa2 s PHE 176 Cb -0.07 -1.53 0.01 0.00 0.00 0.00 0.00 43.02 41.43 2qa2 s PHE 176 CO 0.19 0.30 -0.15 -1.17 -0.00 0.00 0.00 175.22 174.39 2qa2 s LEU 177 N -1.40 1.74 -0.01 -0.37 0.20 -0.48 -1.12 118.68 117.24 2qa2 s LEU 177 Ca 0.16 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.63 2qa2 s LEU 177 Cb -0.11 -0.99 -0.00 0.00 -0.43 0.00 0.00 46.19 44.66 2qa2 s LEU 177 CO 0.06 0.05 -0.09 0.00 -0.29 0.00 0.00 176.35 176.08 2qa2 s ALA 178 N 0.68 0.82 -0.41 5.97 0.00 -0.62 -1.88 121.76 126.32 2qa2 s ALA 178 Ca -0.14 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2qa2 s ALA 178 Cb -0.16 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2qa2 s ALA 178 CO 0.04 0.18 0.27 -0.51 0.00 0.00 0.00 175.76 175.73 2qa2 s ASP 179 N -0.09 5.78 0.20 0.00 1.11 -0.49 -0.42 116.67 122.76 2qa2 s ASP 179 Ca 0.02 -1.29 0.07 0.00 0.18 0.00 0.00 52.55 51.52 2qa2 s ASP 179 Cb -0.05 -2.04 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 2qa2 s ASP 179 CO -0.00 -0.51 0.09 -0.63 1.18 0.00 0.00 175.17 175.30 2qa2 s ILE 180 N 1.51 4.09 0.36 0.77 1.01 -0.24 -0.63 121.20 128.08 2qa2 s ILE 180 Ca 0.03 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.38 2qa2 s ILE 180 Cb -0.22 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2qa2 s ILE 180 CO 0.05 -0.20 0.20 -0.13 0.00 0.00 0.00 174.94 174.85 2qa2 s ARG 181 N -3.30 2.41 0.00 2.79 0.52 -0.09 -2.11 118.95 119.17 2qa2 s ARG 181 Ca 0.30 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 2qa2 s ARG 181 Cb -0.09 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.18 2qa2 s ARG 181 CO 0.22 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2qa2 n GLY 182 N -1.24 1.27 3.75 -3.53 0.00 -1.26 -3.39 105.19 100.79 2qa2 n GLY 182 Ca -0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qa2 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa2 s GLU 184 N -3.56 3.41 -0.15 0.00 2.56 -1.26 -4.96 118.70 114.73 2qa2 s GLU 184 Ca 0.74 -2.96 -0.04 0.00 0.00 0.00 0.00 54.97 52.72 2qa2 s GLU 184 Cb -0.27 -4.14 -0.03 0.00 2.00 0.00 0.00 34.13 31.69 2qa2 s GLU 184 CO 0.36 -1.25 -0.04 0.42 -0.56 0.00 0.00 175.26 174.19 2qa2 s ILE 185 N -0.78 3.89 0.36 -3.70 1.01 -1.26 -5.09 121.20 115.63 2qa2 s ILE 185 Ca 0.24 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 2qa2 s ILE 185 Cb -0.11 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 2qa2 s ILE 185 CO -0.09 0.50 1.34 -0.89 0.00 0.00 0.00 174.94 175.80 2qa2 s THR 186 N 0.31 2.57 0.39 2.92 2.01 -1.26 -5.00 115.64 117.58 2qa2 s THR 186 Ca -0.04 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 2qa2 s THR 186 Cb -0.14 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 2qa2 s THR 186 CO 0.03 0.12 1.47 -2.84 -0.69 0.00 0.00 174.62 172.71 2qa2 s PRO 187 N -1.98 4.03 -0.44 4.92 0.02 -1.26 -4.71 135.00 135.58 2qa2 s PRO 187 Ca 0.52 2.54 0.07 0.00 0.02 0.00 0.00 61.00 64.15 2qa2 s PRO 187 Cb -0.40 -2.91 0.25 0.00 0.02 0.00 0.00 34.50 31.46 2qa2 s PRO 187 CO 0.53 -0.58 0.73 0.54 -0.33 0.00 0.00 177.00 177.89 2qa2 n ARG 188 N 0.33 0.77 -0.22 5.54 1.74 0.46 -4.90 116.66 120.37 2qa2 n ARG 188 Ca 0.02 -2.48 -0.07 0.00 -0.77 0.00 0.00 57.85 54.55 2qa2 n ARG 188 Cb 0.40 -1.34 0.03 0.00 -1.02 0.00 0.00 32.46 30.53 2qa2 n ARG 188 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qa2 h PRO 189 N 3.91 0.91 0.00 5.56 0.11 -1.93 -0.25 132.00 140.31 2qa2 h PRO 189 Ca -0.04 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2qa2 h PRO 189 Cb 0.96 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2qa2 h PRO 189 CO 0.39 0.76 0.00 -0.89 -0.21 0.00 0.00 178.00 178.04 2qa2 n ILE 190 N -4.47 0.04 -3.49 4.15 5.41 -1.26 -4.88 119.36 114.86 2qa2 n ILE 190 Ca 0.04 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2qa2 n ILE 190 Cb 0.15 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2qa2 n ILE 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qa2 n GLY 191 N 1.39 -1.83 3.64 7.39 0.00 -0.16 -4.89 105.19 110.73 2qa2 n GLY 191 Ca 0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 2qa2 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qa2 s GLU 192 N 0.00 0.45 -0.18 1.61 2.12 0.09 -4.89 118.70 117.90 2qa2 s GLU 192 Ca 0.00 0.66 -0.24 0.00 0.36 0.00 0.00 54.97 55.75 2qa2 s GLU 192 Cb 0.00 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.52 2qa2 s GLU 192 CO 0.00 -0.08 0.78 0.99 -0.54 0.00 0.00 175.26 176.42 2qa2 s THR 193 N 0.90 4.91 -0.06 -1.70 2.01 -1.26 -1.85 115.64 118.59 2qa2 s THR 193 Ca -0.04 1.52 0.05 0.00 0.31 0.00 0.00 61.69 63.53 2qa2 s THR 193 Cb -0.04 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2qa2 s THR 193 CO -0.12 0.04 -0.22 0.68 -0.69 0.00 0.00 174.62 174.31 2qa2 s VAL 194 N 2.12 2.34 0.07 3.82 -7.23 -1.11 -5.00 120.40 115.41 2qa2 s VAL 194 Ca 0.36 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 2qa2 s VAL 194 Cb -0.16 -1.87 0.10 0.00 0.56 0.00 0.00 36.38 35.01 2qa2 s VAL 194 CO 0.12 0.57 0.38 -2.65 -0.31 0.00 0.00 175.10 173.20 2qa2 n PRO 195 N 2.78 -0.02 -0.03 4.82 -0.02 -1.26 0.11 135.00 141.38 2qa2 n PRO 195 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2qa2 n PRO 195 Cb 0.52 -0.57 0.01 0.00 -0.02 0.00 0.00 33.50 33.44 2qa2 n PRO 195 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qa2 n LEU 196 N -4.13 0.78 0.00 2.45 4.77 -1.26 -4.97 117.00 114.63 2qa2 n LEU 196 Ca 0.05 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2qa2 n LEU 196 Cb 0.18 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2qa2 n LEU 196 CO -0.02 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2qa2 n GLY 197 N 0.23 0.63 3.25 -0.72 0.00 0.30 -2.66 105.19 106.22 2qa2 n GLY 197 Ca 0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 2qa2 n GLY 197 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2qa2 s MET 198 N 0.00 0.82 0.15 1.61 0.23 -1.02 -2.75 119.30 118.34 2qa2 s MET 198 Ca 0.00 -0.52 0.06 0.00 -1.03 0.00 0.00 55.69 54.20 2qa2 s MET 198 Cb 0.00 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2qa2 s MET 198 CO 0.00 -0.26 -0.13 0.14 -2.03 0.00 0.00 175.02 172.73 2qa2 s VAL 199 N -2.61 1.40 0.15 5.16 -7.23 -0.77 -1.28 120.40 115.21 2qa2 s VAL 199 Ca -0.05 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2qa2 s VAL 199 Cb -0.01 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2qa2 s VAL 199 CO -0.04 -0.54 0.08 0.00 -0.31 0.00 0.00 175.10 174.29 2qa2 s MET 200 N -3.17 1.00 -0.28 4.82 0.23 -0.04 -0.73 119.30 121.13 2qa2 s MET 200 Ca 0.14 -1.48 -0.25 0.00 -1.03 0.00 0.00 55.69 53.07 2qa2 s MET 200 Cb -0.02 0.25 0.12 0.00 -1.53 0.00 0.00 34.83 33.65 2qa2 s MET 200 CO 0.03 -0.30 1.02 -1.54 -2.03 0.00 0.00 175.02 172.21 2qa2 s SER 201 N -3.07 -0.46 0.06 -1.18 1.04 -0.84 -0.52 113.70 108.72 2qa2 s SER 201 Ca 0.28 0.89 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 2qa2 s SER 201 Cb 0.07 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 67.07 2qa2 s SER 201 CO 0.04 -0.15 0.04 0.00 0.98 0.00 0.00 173.24 174.15 2qa2 s ALA 202 N 0.25 0.25 0.20 5.32 0.00 -0.91 0.17 121.76 127.05 2qa2 s ALA 202 Ca 0.03 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2qa2 s ALA 202 Cb -0.05 0.31 -0.08 0.00 0.00 0.00 0.00 23.12 23.31 2qa2 s ALA 202 CO -0.06 -0.39 0.67 -1.25 0.00 0.00 0.00 175.76 174.73 2qa2 s PRO 203 N -3.65 4.17 -0.38 0.00 0.04 -1.26 -1.60 135.00 132.32 2qa2 s PRO 203 Ca 0.04 0.75 0.11 0.00 0.04 0.00 0.00 61.00 61.95 2qa2 s PRO 203 Cb 0.05 -2.90 0.33 0.00 0.04 0.00 0.00 34.50 32.02 2qa2 s PRO 203 CO -0.09 0.42 0.70 1.47 0.04 0.00 0.00 177.00 179.54 2qa2 n LEU 204 N 0.77 0.66 0.00 -3.56 -0.00 -0.24 -4.92 117.00 109.71 2qa2 n LEU 204 Ca -0.03 -4.93 0.00 0.00 -0.00 0.00 0.00 56.01 51.04 2qa2 n LEU 204 Cb 0.51 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.64 2qa2 n LEU 204 CO 0.43 2.25 0.00 0.61 -0.00 0.00 0.00 177.39 180.68 2qa2 n GLY 205 N 0.47 3.02 2.86 1.47 0.00 -1.26 -4.31 105.19 107.45 2qa2 n GLY 205 Ca 0.24 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 2qa2 n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa2 s ASP 206 N 0.00 4.48 0.00 1.61 1.01 -1.26 -4.88 116.67 117.63 2qa2 s ASP 206 Ca 0.00 -3.66 0.00 0.00 0.71 0.00 0.00 52.55 49.60 2qa2 s ASP 206 Cb 0.00 -1.53 0.00 0.00 1.01 0.00 0.00 42.92 42.40 2qa2 s ASP 206 CO 0.00 -0.11 0.00 0.61 0.21 0.00 0.00 175.17 175.88 2qa2 n GLY 207 N 2.22 1.18 3.22 0.21 0.00 -1.26 -4.98 105.19 105.78 2qa2 n GLY 207 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2qa2 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa2 s VAL 208 N -3.34 2.69 -0.07 1.61 1.01 -1.26 -4.14 120.40 116.89 2qa2 s VAL 208 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2qa2 s VAL 208 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2qa2 s VAL 208 CO 0.00 0.49 0.10 -1.81 0.00 0.00 0.00 175.10 173.88 2qa2 s ASP 209 N 1.26 5.99 -0.13 3.32 1.01 -0.89 -1.08 116.67 126.15 2qa2 s ASP 209 Ca 0.03 0.32 -0.20 0.00 0.71 0.00 0.00 52.55 53.41 2qa2 s ASP 209 Cb -0.14 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 2qa2 s ASP 209 CO -0.07 0.35 0.57 -0.60 0.21 0.00 0.00 175.17 175.64 2qa2 s ARG 210 N -1.27 4.32 -0.07 8.23 3.52 -0.63 -1.08 118.95 131.98 2qa2 s ARG 210 Ca 0.18 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 2qa2 s ARG 210 Cb -0.12 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2qa2 s ARG 210 CO 0.08 0.02 -0.05 0.96 -0.81 0.00 0.00 175.30 175.49 2qa2 s ILE 211 N 1.05 3.82 -0.10 4.11 -4.36 0.44 -2.13 121.20 124.03 2qa2 s ILE 211 Ca 0.29 -0.45 0.04 0.00 -0.26 0.00 0.00 60.65 60.27 2qa2 s ILE 211 Cb -0.16 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 2qa2 s ILE 211 CO 0.12 0.59 -0.22 -0.63 0.24 0.00 0.00 174.94 175.04 2qa2 s ILE 212 N -0.83 2.22 0.03 8.37 1.01 0.32 -1.58 121.20 130.73 2qa2 s ILE 212 Ca 0.13 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.89 2qa2 s ILE 212 Cb -0.11 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2qa2 s ILE 212 CO 0.02 0.56 -0.25 0.54 0.00 0.00 0.00 174.94 175.80 2qa2 s VAL 213 N 0.24 2.03 -0.45 2.92 0.11 -0.27 -0.86 120.40 124.13 2qa2 s VAL 213 Ca -0.15 -1.28 0.03 0.00 -2.93 0.00 0.00 61.98 57.65 2qa2 s VAL 213 Cb -0.17 -1.73 0.15 0.00 -1.53 0.00 0.00 36.38 33.11 2qa2 s VAL 213 CO 0.08 0.40 0.30 0.00 -3.33 0.00 0.00 175.10 172.55 2qa2 s GLU 215 N 0.15 3.80 0.23 0.00 2.12 -1.26 -2.42 118.70 121.32 2qa2 s GLU 215 Ca 0.24 1.25 -0.12 0.00 0.36 0.00 0.00 54.97 56.70 2qa2 s GLU 215 Cb -0.11 -3.95 0.30 0.00 0.26 0.00 0.00 34.13 30.63 2qa2 s GLU 215 CO -0.09 -1.27 1.61 -0.09 -0.54 0.00 0.00 175.26 174.88 2qa2 h ARG 216 N 9.95 0.01 -0.00 4.30 2.43 -1.90 -0.58 114.38 128.59 2qa2 h ARG 216 Ca -0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2qa2 h ARG 216 Cb 1.11 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2qa2 h ARG 216 CO 1.04 0.01 -0.02 0.41 -1.51 0.00 0.00 179.97 179.89 2qa2 n GLY 217 N -1.47 -0.89 3.68 2.80 0.00 -1.26 -4.94 105.19 103.11 2qa2 n GLY 217 Ca 0.10 -0.24 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 2qa2 n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa2 n ALA 218 N -0.87 1.02 -1.62 4.61 0.00 -0.23 -4.95 120.51 118.48 2qa2 n ALA 218 Ca 0.20 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.67 2qa2 n ALA 218 Cb 0.20 -2.46 0.10 0.00 0.00 0.00 0.00 19.45 17.29 2qa2 n ALA 218 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qa2 s PRO 219 N 3.14 1.87 0.05 0.00 0.04 -1.26 -3.23 135.00 135.62 2qa2 s PRO 219 Ca 0.89 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 2qa2 s PRO 219 Cb -0.69 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 2qa2 s PRO 219 CO 0.47 -1.73 0.73 0.00 0.04 0.00 0.00 177.00 176.52 2qa2 s ALA 220 N -3.26 3.41 -0.02 8.56 0.00 -1.17 -3.58 121.76 125.70 2qa2 s ALA 220 Ca 0.62 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.85 2qa2 s ALA 220 Cb -0.14 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2qa2 s ALA 220 CO 0.53 0.12 -0.11 1.03 0.00 0.00 0.00 175.76 177.34 2qa2 s ARG 221 N -0.26 1.01 0.13 0.00 0.52 -1.26 -5.02 118.95 114.06 2qa2 s ARG 221 Ca 0.37 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 2qa2 s ARG 221 Cb -0.20 -0.95 -0.06 0.00 0.52 0.00 0.00 34.95 34.25 2qa2 s ARG 221 CO 0.22 0.19 1.00 1.03 0.02 0.00 0.00 175.30 177.77 2qa2 s ARG 222 N -0.07 4.67 0.05 3.54 0.52 -1.26 -5.06 118.95 121.34 2qa2 s ARG 222 Ca 0.01 1.52 0.01 0.00 -0.52 0.00 0.00 55.73 56.75 2qa2 s ARG 222 Cb -0.07 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2qa2 s ARG 222 CO 0.00 0.17 -0.06 1.03 0.02 0.00 0.00 175.30 176.46 2qa2 s ARG 223 N -0.07 0.53 -0.40 3.54 0.52 -1.26 -5.12 118.95 116.69 2qa2 s ARG 223 Ca 0.48 -0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 54.65 2qa2 s ARG 223 Cb -0.25 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.09 2qa2 s ARG 223 CO 0.31 0.00 0.56 0.99 0.02 0.00 0.00 175.30 177.19 2qa2 s THR 224 N -1.93 4.94 0.14 0.02 2.01 -1.26 -4.96 115.64 114.60 2qa2 s THR 224 Ca -0.07 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2qa2 s THR 224 Cb -0.06 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2qa2 s THR 224 CO -0.02 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 2qa2 n GLY 225 N 4.94 -1.67 3.61 4.40 0.00 -1.26 -4.93 105.19 110.29 2qa2 n GLY 225 Ca -0.04 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 2qa2 n GLY 225 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qa2 s PRO 226 N -1.70 0.25 0.51 1.61 0.02 -1.26 -4.95 135.00 129.48 2qa2 s PRO 226 Ca 0.00 0.97 -0.21 0.00 0.02 0.00 0.00 61.00 61.79 2qa2 s PRO 226 Cb 0.00 -1.68 -0.07 0.00 0.02 0.00 0.00 34.50 32.77 2qa2 s PRO 226 CO 0.00 -2.97 1.12 -1.25 -0.33 0.00 0.00 177.00 173.56 2qa2 s PRO 227 N -4.68 3.57 0.43 5.54 0.04 -1.26 -5.00 135.00 133.64 2qa2 s PRO 227 Ca 0.66 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 2qa2 s PRO 227 Cb -0.22 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2qa2 s PRO 227 CO 0.60 -0.67 1.39 -1.25 0.04 0.00 0.00 177.00 177.11 2qa2 s PRO 228 N -3.11 3.79 0.14 0.56 0.04 -1.26 -4.79 135.00 130.37 2qa2 s PRO 228 Ca 0.69 2.34 -0.18 0.00 0.04 0.00 0.00 61.00 63.89 2qa2 s PRO 228 Cb -0.23 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.64 2qa2 s PRO 228 CO 0.27 -0.71 1.71 -0.92 0.04 0.00 0.00 177.00 177.40 2qa2 h TYR 229 N 2.46 -0.03 -0.02 0.56 3.20 -1.98 -1.50 116.97 119.65 2qa2 h TYR 229 Ca -0.50 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.39 2qa2 h TYR 229 Cb 1.26 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.58 2qa2 h TYR 229 CO 0.51 -0.06 0.19 1.96 -1.64 0.00 0.00 178.16 179.12 2qa2 h GLN 230 N 0.08 0.00 -0.09 1.82 1.08 -1.96 0.49 115.11 116.53 2qa2 h GLN 230 Ca 0.14 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2qa2 h GLN 230 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2qa2 h GLN 230 CO -0.24 0.00 -0.35 1.49 -0.95 0.00 0.00 178.83 178.78 2qa2 h GLU 231 N 0.00 0.39 -0.38 1.46 4.81 -1.64 -1.04 114.58 118.18 2qa2 h GLU 231 Ca 0.01 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2qa2 h GLU 231 Cb 0.38 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2qa2 h GLU 231 CO -0.00 0.93 0.18 0.28 -0.73 0.00 0.00 179.01 179.68 2qa2 h VAL 232 N -0.07 1.17 0.45 0.32 2.07 -1.01 -1.91 116.25 117.27 2qa2 h VAL 232 Ca -0.02 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2qa2 h VAL 232 Cb 0.99 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2qa2 h VAL 232 CO 0.07 0.18 -0.41 0.00 0.02 0.00 0.00 177.57 177.44 2qa2 h ALA 233 N 1.03 -0.92 -0.99 1.67 0.00 -1.06 0.12 119.26 119.10 2qa2 h ALA 233 Ca 0.13 -0.15 0.37 0.00 0.00 0.00 0.00 54.91 55.26 2qa2 h ALA 233 Cb 0.12 0.58 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 2qa2 h ALA 233 CO -0.02 -1.05 0.50 0.00 0.00 0.00 0.00 179.25 178.68 2qa2 h ALA 234 N -0.53 1.99 -0.19 0.00 0.00 -1.13 0.21 119.26 119.61 2qa2 h ALA 234 Ca -0.04 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2qa2 h ALA 234 Cb 0.76 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qa2 h ALA 234 CO -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 179.25 178.44 2qa2 h ALA 235 N 1.94 0.26 -0.69 0.00 0.00 -0.14 -2.60 119.26 118.03 2qa2 h ALA 235 Ca 0.78 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.57 2qa2 h ALA 235 Cb 1.94 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 2qa2 h ALA 235 CO -0.72 -0.04 0.46 2.35 0.00 0.00 0.00 179.25 181.30 2qa2 h TRP 236 N 0.10 0.68 -0.01 0.00 2.91 0.18 -2.29 115.95 117.53 2qa2 h TRP 236 Ca 0.06 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 2qa2 h TRP 236 Cb 0.37 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2qa2 h TRP 236 CO 0.03 0.35 -0.05 -0.56 -1.03 0.00 0.00 178.44 177.18 2qa2 h GLN 237 N 0.67 0.05 0.00 2.65 -0.00 -1.29 0.20 115.11 117.38 2qa2 h GLN 237 Ca 0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 2qa2 h GLN 237 Cb 0.33 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 2qa2 h GLN 237 CO -0.10 0.73 0.21 0.00 -0.00 0.00 0.00 178.83 179.67 2qa2 h ARG 238 N -0.62 0.00 0.00 0.06 3.08 -1.28 0.47 114.38 116.09 2qa2 h ARG 238 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 2qa2 h ARG 238 Cb 0.74 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 2qa2 h ARG 238 CO 0.01 0.00 -2.25 1.28 -1.07 0.00 0.00 179.97 177.94 2qa2 n LEU 239 N -2.40 2.53 -0.01 3.04 4.77 -0.88 -4.82 117.00 119.24 2qa2 n LEU 239 Ca -0.01 0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 2qa2 n LEU 239 Cb 0.25 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 2qa2 n LEU 239 CO 0.10 0.74 -0.61 0.35 -1.33 0.00 0.00 177.39 176.64 2qa2 n THR 240 N -3.43 0.00 -1.75 -5.08 -2.24 0.67 -4.83 114.28 97.62 2qa2 n THR 240 Ca -0.41 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2qa2 n THR 240 Cb 0.88 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2qa2 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa2 n GLY 241 N 1.62 0.36 3.28 3.38 0.00 0.12 -5.03 105.19 108.92 2qa2 n GLY 241 Ca -0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 2qa2 n GLY 241 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qa2 s GLN 242 N -3.54 2.94 -0.27 1.61 0.74 -1.26 -5.03 119.66 114.86 2qa2 s GLN 242 Ca 0.00 -0.83 -0.21 0.00 0.05 0.00 0.00 55.36 54.36 2qa2 s GLN 242 Cb 0.00 -2.34 -0.01 0.00 1.10 0.00 0.00 33.01 31.76 2qa2 s GLN 242 CO 0.00 0.28 0.68 0.34 -0.55 0.00 0.00 175.29 176.04 2qa2 s ASP 243 N 0.12 6.62 -0.28 6.67 -1.08 -1.26 -3.30 116.67 124.16 2qa2 s ASP 243 Ca -0.11 0.71 0.07 0.00 -0.52 0.00 0.00 52.55 52.71 2qa2 s ASP 243 Cb -0.16 -2.36 0.46 0.00 -1.46 0.00 0.00 42.92 39.40 2qa2 s ASP 243 CO 0.06 -0.44 1.19 2.30 0.52 0.00 0.00 175.17 178.80 2qa2 n ILE 244 N 5.28 2.50 0.07 4.11 -5.35 -1.26 -4.77 119.36 119.94 2qa2 n ILE 244 Ca 0.01 -4.13 -0.12 0.00 -0.27 0.00 0.00 62.75 58.24 2qa2 n ILE 244 Cb 0.49 -1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 37.29 2qa2 n ILE 244 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2qa2 h SER 245 N 2.07 -0.87 0.08 7.28 0.02 -1.93 -3.03 113.55 117.17 2qa2 h SER 245 Ca 0.33 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2qa2 h SER 245 Cb 1.49 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2qa2 h SER 245 CO 0.69 -0.37 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 2qa2 n HIS 246 N -5.40 0.00 -2.03 3.45 1.44 -1.26 -4.78 115.22 106.64 2qa2 n HIS 246 Ca -0.05 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.25 2qa2 n HIS 246 Cb 0.31 -0.49 -0.02 0.00 0.12 0.00 0.00 29.99 29.91 2qa2 n HIS 246 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2qa2 s GLY 247 N -2.98 2.79 -0.37 -1.39 0.00 -1.15 -4.90 107.32 99.32 2qa2 s GLY 247 Ca 0.01 1.33 -0.10 0.00 0.00 0.00 0.00 44.72 45.97 2qa2 s GLY 247 CO 0.04 2.08 0.18 1.85 0.00 0.00 0.00 173.10 177.25 2qa2 s GLU 248 N -1.43 2.75 0.54 2.90 2.12 -1.22 -4.94 118.70 119.42 2qa2 s GLU 248 Ca 0.53 -1.13 -0.19 0.00 0.36 0.00 0.00 54.97 54.54 2qa2 s GLU 248 Cb -0.42 -3.67 -0.06 0.00 0.26 0.00 0.00 34.13 30.24 2qa2 s GLU 248 CO 0.52 -0.71 1.07 -1.25 -0.54 0.00 0.00 175.26 174.35 2qa2 s PRO 249 N 1.51 3.50 -0.11 4.30 0.04 -1.26 -0.91 135.00 142.07 2qa2 s PRO 249 Ca 0.01 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 2qa2 s PRO 249 Cb -0.19 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2qa2 s PRO 249 CO 0.06 -0.68 -0.13 0.28 0.04 0.00 0.00 177.00 176.56 2qa2 n VAL 250 N -1.39 0.62 -3.85 -0.36 0.31 0.20 -4.90 118.33 108.96 2qa2 n VAL 250 Ca 0.10 -0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 2qa2 n VAL 250 Cb 0.52 -1.39 -0.13 0.00 -0.91 0.00 0.00 33.84 31.93 2qa2 n VAL 250 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2qa2 s TRP 251 N -2.21 -0.07 -0.01 3.52 -0.00 -1.23 -5.02 118.94 113.91 2qa2 s TRP 251 Ca -0.15 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.13 2qa2 s TRP 251 Cb 0.05 0.02 0.02 0.00 -0.00 0.00 0.00 33.47 33.56 2qa2 s TRP 251 CO 0.22 -0.06 0.01 0.08 -0.00 0.00 0.00 176.95 177.20 2qa2 s VAL 252 N -0.05 0.04 0.10 5.86 1.01 -1.26 -1.40 120.40 124.71 2qa2 s VAL 252 Ca -0.01 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2qa2 s VAL 252 Cb -0.01 -0.11 0.07 0.00 0.00 0.00 0.00 36.38 36.32 2qa2 s VAL 252 CO 0.00 0.07 0.59 -0.94 0.00 0.00 0.00 175.10 174.82 2qa2 s SER 253 N 0.60 -0.55 0.23 3.32 1.04 -0.79 -4.60 113.70 112.95 2qa2 s SER 253 Ca -0.05 0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.58 2qa2 s SER 253 Cb -0.08 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2qa2 s SER 253 CO -0.01 -0.86 0.12 0.00 0.98 0.00 0.00 173.24 173.46 2qa2 s ALA 254 N -3.12 3.44 0.26 5.32 0.00 -1.26 -1.39 121.76 125.02 2qa2 s ALA 254 Ca -0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 2qa2 s ALA 254 Cb -0.01 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.99 2qa2 s ALA 254 CO -0.07 0.34 0.80 -0.59 0.00 0.00 0.00 175.76 176.24 2qa2 s PHE 255 N -2.03 -0.12 0.00 0.00 -0.12 -0.97 -4.97 117.98 109.76 2qa2 s PHE 255 Ca 0.31 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2qa2 s PHE 255 Cb -0.08 0.71 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 2qa2 s PHE 255 CO 0.23 -1.18 0.00 0.41 -0.05 0.00 0.00 175.22 174.63 2qa2 n GLY 256 N -0.48 3.73 2.62 1.99 0.00 -1.26 -1.34 105.19 110.45 2qa2 n GLY 256 Ca -0.05 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 2qa2 n GLY 256 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qa2 n ASP 257 N -0.87 4.77 -4.57 1.61 5.75 -1.26 -4.23 116.55 117.74 2qa2 n ASP 257 Ca 0.00 -3.71 -0.29 0.00 -0.01 0.00 0.00 54.79 50.77 2qa2 n ASP 257 Cb 0.00 -0.51 0.14 0.00 -1.03 0.00 0.00 41.12 39.72 2qa2 n ASP 257 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2qa2 s PRO 258 N -3.55 1.15 -0.35 0.11 0.04 -1.26 -4.44 135.00 126.69 2qa2 s PRO 258 Ca 0.48 -0.00 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2qa2 s PRO 258 Cb 0.37 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 33.21 2qa2 s PRO 258 CO -0.18 -2.14 0.52 0.00 0.04 0.00 0.00 177.00 175.24 2qa2 s ALA 259 N -3.55 -1.70 0.01 8.56 0.00 0.44 -3.09 121.76 122.43 2qa2 s ALA 259 Ca 0.67 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2qa2 s ALA 259 Cb -0.10 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2qa2 s ALA 259 CO 0.52 -2.02 0.26 1.03 0.00 0.00 0.00 175.76 175.54 2qa2 s ARG 260 N 2.11 0.67 -0.29 0.00 0.52 -0.93 0.85 118.95 121.89 2qa2 s ARG 260 Ca 0.14 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.82 2qa2 s ARG 260 Cb -0.09 0.29 0.11 0.00 0.52 0.00 0.00 34.95 35.77 2qa2 s ARG 260 CO -0.15 -0.19 0.73 -1.14 0.02 0.00 0.00 175.30 174.57 2qa2 s GLN 261 N -1.84 0.61 0.29 3.54 0.74 -0.78 -0.82 119.66 121.40 2qa2 s GLN 261 Ca -0.10 1.19 -0.29 0.00 0.05 0.00 0.00 55.36 56.21 2qa2 s GLN 261 Cb -0.04 0.35 -0.13 0.00 1.10 0.00 0.00 33.01 34.29 2qa2 s GLN 261 CO 0.01 -0.15 1.29 1.33 -0.55 0.00 0.00 175.29 177.21 2qa2 n VAL 262 N 4.58 1.58 0.21 1.34 0.24 0.53 -3.74 118.33 123.07 2qa2 n VAL 262 Ca -0.17 -0.40 0.10 0.00 -2.04 0.00 0.00 64.34 61.83 2qa2 n VAL 262 Cb 0.56 -1.43 0.25 0.00 -1.47 0.00 0.00 33.84 31.75 2qa2 n VAL 262 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qa2 h SER 263 N 3.09 0.00 -3.44 -1.34 4.64 -1.86 -3.42 113.55 111.23 2qa2 h SER 263 Ca -0.45 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.41 2qa2 h SER 263 Cb 1.29 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.04 2qa2 h SER 263 CO 0.67 0.17 -0.79 0.00 -0.87 0.00 0.00 176.83 176.01 2qa2 s ALA 264 N -3.28 0.97 -0.48 5.18 0.00 -1.26 -5.02 121.76 117.87 2qa2 s ALA 264 Ca 0.04 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.03 2qa2 s ALA 264 Cb 0.07 -0.50 0.87 0.00 0.00 0.00 0.00 23.12 23.56 2qa2 s ALA 264 CO 0.67 0.04 1.76 1.88 0.00 0.00 0.00 175.76 180.11 2qa2 h TYR 265 N 7.09 0.00 -3.77 0.00 0.99 -1.93 -3.45 116.97 115.90 2qa2 h TYR 265 Ca -0.34 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.16 2qa2 h TYR 265 Cb 1.17 0.00 -0.27 0.00 1.00 0.00 0.00 36.73 38.63 2qa2 h TYR 265 CO 0.49 0.00 -0.72 0.50 -0.00 0.00 0.00 178.16 178.43 2qa2 s ARG 266 N -3.27 0.06 -0.07 4.88 3.52 -1.26 -2.41 118.95 120.39 2qa2 s ARG 266 Ca 0.07 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2qa2 s ARG 266 Cb 0.10 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2qa2 s ARG 266 CO 0.54 -0.00 -0.04 1.03 -0.81 0.00 0.00 175.30 176.01 2qa2 s ARG 267 N -0.21 0.96 0.48 5.12 0.52 -0.55 -5.02 118.95 120.26 2qa2 s ARG 267 Ca -0.02 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2qa2 s ARG 267 Cb -0.01 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.40 2qa2 s ARG 267 CO -0.00 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.56 2qa2 n GLY 268 N 4.50 2.03 0.98 -3.53 0.00 -1.26 -0.56 105.19 107.34 2qa2 n GLY 268 Ca -0.17 0.46 0.08 0.00 0.00 0.00 0.00 46.02 46.39 2qa2 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa2 n ARG 269 N 6.51 3.14 -5.24 1.61 1.74 -1.26 -4.94 116.66 118.21 2qa2 n ARG 269 Ca 0.00 -2.75 -0.31 0.00 -0.77 0.00 0.00 57.85 54.01 2qa2 n ARG 269 Cb 0.00 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.48 2qa2 n ARG 269 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qa2 s VAL 270 N -2.50 2.18 0.18 1.55 1.01 0.28 -2.74 120.40 120.36 2qa2 s VAL 270 Ca 0.41 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2qa2 s VAL 270 Cb 0.31 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2qa2 s VAL 270 CO 0.11 0.58 -0.06 -0.76 0.00 0.00 0.00 175.10 174.97 2qa2 s LEU 271 N -0.50 2.39 0.06 3.92 1.02 -0.24 -1.48 118.68 123.85 2qa2 s LEU 271 Ca 0.06 -1.09 0.04 0.00 0.02 0.00 0.00 54.13 53.16 2qa2 s LEU 271 Cb -0.11 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 2qa2 s LEU 271 CO 0.00 -0.41 -0.12 -0.76 0.02 0.00 0.00 176.35 175.08 2qa2 s LEU 272 N -3.22 2.25 -0.19 1.79 1.43 -1.01 0.41 118.68 120.14 2qa2 s LEU 272 Ca 0.21 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 2qa2 s LEU 272 Cb 0.04 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.88 2qa2 s LEU 272 CO 0.04 -0.09 0.56 0.00 0.23 0.00 0.00 176.35 177.08 2qa2 s ALA 273 N -1.23 -1.38 0.00 4.21 0.00 -0.68 -4.88 121.76 117.80 2qa2 s ALA 273 Ca -0.04 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2qa2 s ALA 273 Cb -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2qa2 s ALA 273 CO 0.02 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2qa2 n GLY 274 N 2.59 -0.95 0.47 0.00 0.00 -1.26 -4.15 105.19 101.89 2qa2 n GLY 274 Ca -0.14 -1.20 0.35 0.00 0.00 0.00 0.00 46.02 45.03 2qa2 n GLY 274 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qa2 h ASP 275 N 2.18 0.25 -0.04 1.61 5.19 -1.86 0.34 116.42 124.09 2qa2 h ASP 275 Ca 0.00 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2qa2 h ASP 275 Cb 0.00 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2qa2 h ASP 275 CO 0.00 -0.12 0.05 0.77 -3.12 0.00 0.00 179.24 176.81 2qa2 h SER 276 N 0.12 0.00 0.24 6.45 4.64 -1.68 -2.37 113.55 120.96 2qa2 h SER 276 Ca 0.78 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.86 2qa2 h SER 276 Cb 2.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.50 2qa2 h SER 276 CO -0.36 0.00 -1.98 0.00 -0.87 0.00 0.00 176.83 173.62 2qa2 n ALA 277 N -2.29 1.84 -3.64 5.18 0.00 0.12 -4.80 120.51 116.91 2qa2 n ALA 277 Ca -0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 53.44 52.41 2qa2 n ALA 277 Cb 0.14 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2qa2 n ALA 277 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2qa2 s HIS 278 N -2.80 -0.75 -0.01 0.00 0.00 -0.89 -0.35 115.29 110.50 2qa2 s HIS 278 Ca -0.07 1.42 0.07 0.00 -3.00 0.00 0.00 55.06 53.48 2qa2 s HIS 278 Cb 0.08 0.25 -0.02 0.00 -4.00 0.00 0.00 32.58 28.89 2qa2 s HIS 278 CO 0.84 -0.48 -0.22 0.54 -1.00 0.00 0.00 174.74 174.43 2qa2 s VAL 279 N 2.59 1.71 0.35 -5.38 0.11 -0.00 -4.38 120.40 115.39 2qa2 s VAL 279 Ca -0.01 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 57.90 2qa2 s VAL 279 Cb -0.12 -1.43 0.04 0.00 -1.53 0.00 0.00 36.38 33.34 2qa2 s VAL 279 CO -0.12 0.44 0.75 -1.38 -3.33 0.00 0.00 175.10 171.45 2qa2 s HIS 280 N -0.56 0.09 0.06 1.54 -3.43 -1.26 -2.18 115.29 109.56 2qa2 s HIS 280 Ca 0.08 -0.68 -0.31 0.00 -0.80 0.00 0.00 55.06 53.36 2qa2 s HIS 280 Cb -0.08 0.74 -0.08 0.00 -1.43 0.00 0.00 32.58 31.73 2qa2 s HIS 280 CO -0.00 -1.44 1.59 -1.17 -2.00 0.00 0.00 174.74 171.71 2qa2 s LEU 281 N -3.04 4.35 -0.48 5.38 2.96 -1.18 -4.54 118.68 122.14 2qa2 s LEU 281 Ca 0.15 2.41 -0.28 0.00 -0.22 0.00 0.00 54.13 56.19 2qa2 s LEU 281 Cb -0.05 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 2qa2 s LEU 281 CO 0.11 -0.84 1.78 -2.16 -1.32 0.00 0.00 176.35 173.91 2qa2 s PRO 282 N 2.48 3.02 -0.29 0.98 0.04 -1.26 -4.79 135.00 135.18 2qa2 s PRO 282 Ca 0.71 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 2qa2 s PRO 282 Cb -0.38 -4.27 0.11 0.00 0.04 0.00 0.00 34.50 30.00 2qa2 s PRO 282 CO 0.31 -2.25 0.76 0.00 0.04 0.00 0.00 177.00 175.87 2qa2 s ALA 283 N 7.76 -2.06 -0.27 8.56 0.00 -1.26 -4.89 121.76 129.60 2qa2 s ALA 283 Ca 0.71 2.34 0.00 0.00 0.00 0.00 0.00 51.96 55.01 2qa2 s ALA 283 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2qa2 s ALA 283 CO 0.27 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2qa2 n GLY 284 N 4.46 0.58 3.23 0.00 0.00 -1.26 -4.53 105.19 107.66 2qa2 n GLY 284 Ca -0.17 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 2qa2 n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa2 n GLY 285 N -2.65 -0.01 0.57 -0.02 0.00 -1.26 -4.96 105.19 96.86 2qa2 n GLY 285 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qa2 n GLY 285 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qa2 n GLN 286 N 1.10 0.00 -0.06 1.61 1.13 -1.26 -4.83 117.38 115.07 2qa2 n GLN 286 Ca -0.01 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.03 2qa2 n GLN 286 Cb 0.52 -0.42 -0.01 0.00 0.11 0.00 0.00 30.24 30.43 2qa2 n GLN 286 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qa2 n GLY 287 N 1.79 -2.15 0.40 1.08 0.00 -1.26 -0.46 105.19 104.59 2qa2 n GLY 287 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 2qa2 n GLY 287 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qa2 h MET 288 N 0.00 -0.77 -0.24 1.61 1.85 -1.99 -2.17 114.93 113.22 2qa2 h MET 288 Ca 0.02 0.05 0.05 0.00 -0.61 0.00 0.00 59.70 59.22 2qa2 h MET 288 Cb 0.06 0.17 -0.08 0.00 0.43 0.00 0.00 31.60 32.19 2qa2 h MET 288 CO -0.14 -0.51 -0.45 -0.91 -0.40 0.00 0.00 176.91 174.50 2qa2 h ASN 289 N -0.80 -1.44 -0.44 1.39 2.35 -1.62 0.72 115.58 115.75 2qa2 h ASN 289 Ca -0.03 0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2qa2 h ASN 289 Cb 0.71 0.60 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 2qa2 h ASN 289 CO -0.05 -0.41 0.14 0.58 -1.65 0.00 0.00 177.43 176.04 2qa2 h VAL 290 N -0.44 1.20 0.35 2.81 2.07 -0.75 -1.36 116.25 120.13 2qa2 h VAL 290 Ca 0.09 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2qa2 h VAL 290 Cb 0.62 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qa2 h VAL 290 CO -0.48 0.27 -0.17 0.28 0.02 0.00 0.00 177.57 177.49 2qa2 h SER 291 N 0.72 -0.39 -0.77 0.57 0.02 -0.66 -0.62 113.55 112.41 2qa2 h SER 291 Ca 0.17 -0.09 0.15 0.00 -0.84 0.00 0.00 61.79 61.18 2qa2 h SER 291 Cb 0.23 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.77 2qa2 h SER 291 CO -0.01 -0.14 0.30 0.58 -1.14 0.00 0.00 176.83 176.42 2qa2 h VAL 292 N -0.64 0.62 -0.04 2.27 2.07 -0.66 0.12 116.25 119.99 2qa2 h VAL 292 Ca -0.05 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2qa2 h VAL 292 Cb 0.46 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qa2 h VAL 292 CO 0.08 0.08 -0.18 1.56 0.02 0.00 0.00 177.57 179.12 2qa2 h GLN 293 N 0.42 0.07 -1.01 1.57 4.20 -1.02 -1.99 115.11 117.35 2qa2 h GLN 293 Ca 0.43 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.14 2qa2 h GLN 293 Cb 0.69 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 2qa2 h GLN 293 CO -0.43 0.25 0.67 -0.44 -0.67 0.00 0.00 178.83 178.21 2qa2 h ASP 294 N 0.06 1.15 -0.03 1.46 3.32 0.84 -1.18 116.42 122.05 2qa2 h ASP 294 Ca 0.01 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2qa2 h ASP 294 Cb 0.37 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2qa2 h ASP 294 CO 0.03 0.83 -0.33 0.28 -1.72 0.00 0.00 179.24 178.33 2qa2 h SER 295 N 1.36 0.52 1.08 6.45 0.02 -0.77 -1.31 113.55 120.91 2qa2 h SER 295 Ca 0.37 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2qa2 h SER 295 Cb -0.15 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2qa2 h SER 295 CO -0.08 0.82 -0.45 0.58 -1.14 0.00 0.00 176.83 176.56 2qa2 h VAL 296 N 0.43 0.92 -0.15 2.27 2.07 -0.99 -0.79 116.25 120.00 2qa2 h VAL 296 Ca 0.05 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.66 2qa2 h VAL 296 Cb 0.79 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2qa2 h VAL 296 CO 0.06 0.44 -0.09 -1.13 0.02 0.00 0.00 177.57 176.88 2qa2 h ASN 297 N 0.00 0.34 0.12 0.57 -0.73 -0.82 -3.40 115.58 111.66 2qa2 h ASN 297 Ca -0.00 -0.43 -0.01 0.00 1.87 0.00 0.00 56.30 57.73 2qa2 h ASN 297 Cb 1.11 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2qa2 h ASN 297 CO 0.06 0.69 -0.06 0.25 -0.37 0.00 0.00 177.43 178.01 2qa2 h LEU 298 N -0.02 -0.14 -0.03 0.34 5.85 -1.00 -3.38 115.31 116.94 2qa2 h LEU 298 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2qa2 h LEU 298 Cb 0.57 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2qa2 h LEU 298 CO 0.03 0.43 -0.02 0.61 -0.34 0.00 0.00 178.44 179.15 2qa2 n GLY 299 N 1.21 -0.39 0.25 3.75 0.00 -0.32 -0.66 105.19 109.04 2qa2 n GLY 299 Ca -0.05 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2qa2 n GLY 299 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2qa2 h TRP 300 N 0.00 0.87 0.21 1.61 5.08 -1.79 -0.95 115.95 120.98 2qa2 h TRP 300 Ca 0.00 -0.08 0.01 0.00 1.08 0.00 0.00 58.89 59.91 2qa2 h TRP 300 Cb 0.01 -0.25 -0.03 0.00 -3.00 0.00 0.00 29.16 25.89 2qa2 h TRP 300 CO -0.12 0.72 -0.31 0.87 -1.28 0.00 0.00 178.44 178.32 2qa2 h LYS 301 N 0.76 -0.57 -0.64 0.12 1.57 -1.24 -1.28 116.57 115.30 2qa2 h LYS 301 Ca 0.18 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2qa2 h LYS 301 Cb 0.25 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2qa2 h LYS 301 CO -0.01 -0.38 0.37 1.25 -0.57 0.00 0.00 179.45 180.11 2qa2 h LEU 302 N -0.59 0.57 -0.56 2.94 5.85 -0.72 -0.96 115.31 121.84 2qa2 h LEU 302 Ca 0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.86 2qa2 h LEU 302 Cb 0.57 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 2qa2 h LEU 302 CO -0.12 0.38 -0.01 0.00 -0.34 0.00 0.00 178.44 178.35 2qa2 h ALA 303 N 1.31 0.53 -0.21 1.25 0.00 -0.87 0.45 119.26 121.71 2qa2 h ALA 303 Ca 0.27 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.37 2qa2 h ALA 303 Cb 0.11 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qa2 h ALA 303 CO -0.15 -0.39 0.10 0.00 0.00 0.00 0.00 179.25 178.81 2qa2 h ALA 304 N 1.51 0.25 -0.09 0.00 0.00 0.01 -2.84 119.26 118.10 2qa2 h ALA 304 Ca 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2qa2 h ALA 304 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qa2 h ALA 304 CO -0.48 -0.32 0.00 0.28 0.00 0.00 0.00 179.25 178.73 2qa2 h VAL 305 N 0.21 1.24 -0.83 0.00 2.07 -0.84 -1.73 116.25 116.39 2qa2 h VAL 305 Ca 0.09 -0.76 0.19 0.00 0.82 0.00 0.00 66.70 67.04 2qa2 h VAL 305 Cb 0.03 1.59 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 2qa2 h VAL 305 CO -0.07 0.21 0.27 0.58 0.02 0.00 0.00 177.57 178.59 2qa2 h VAL 306 N -0.12 0.47 -0.33 2.57 2.07 -0.91 -1.69 116.25 118.30 2qa2 h VAL 306 Ca 0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qa2 h VAL 306 Cb 0.33 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2qa2 h VAL 306 CO 0.00 0.06 0.00 -1.54 0.02 0.00 0.00 177.57 176.11 2qa2 n SER 307 N -5.12 2.21 -0.19 0.57 3.41 -1.08 -4.91 113.62 108.51 2qa2 n SER 307 Ca 0.18 -1.90 -0.02 0.00 -0.26 0.00 0.00 58.87 56.87 2qa2 n SER 307 Cb 0.57 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 2qa2 n SER 307 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qa2 n GLY 308 N 1.20 0.57 0.14 5.00 0.00 -0.64 -4.89 105.19 106.58 2qa2 n GLY 308 Ca 0.16 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2qa2 n GLY 308 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qa2 h ARG 309 N 0.40 0.00 -5.30 1.61 3.08 -1.55 -3.47 114.38 109.16 2qa2 h ARG 309 Ca -0.05 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.57 2qa2 h ARG 309 Cb 0.29 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.11 2qa2 h ARG 309 CO 0.07 0.24 -0.79 0.00 -1.07 0.00 0.00 179.97 178.43 2qa2 s ALA 310 N -3.09 1.15 0.33 0.04 0.00 -1.06 -4.27 121.76 114.86 2qa2 s ALA 310 Ca 0.02 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 2qa2 s ALA 310 Cb 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 2qa2 s ALA 310 CO 0.75 0.19 1.13 -1.25 0.00 0.00 0.00 175.76 176.58 2qa2 s PRO 311 N -1.38 4.43 0.64 0.00 0.04 -1.26 -4.39 135.00 133.07 2qa2 s PRO 311 Ca -0.00 1.82 0.22 0.00 0.04 0.00 0.00 61.00 63.08 2qa2 s PRO 311 Cb -0.09 -2.99 1.11 0.00 0.04 0.00 0.00 34.50 32.57 2qa2 s PRO 311 CO 0.02 0.01 1.61 0.00 0.04 0.00 0.00 177.00 178.68 2qa2 h ALA 312 N 3.35 1.95 -0.72 8.56 0.00 -1.98 0.61 119.26 131.03 2qa2 h ALA 312 Ca -0.48 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.63 2qa2 h ALA 312 Cb 1.22 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2qa2 h ALA 312 CO 0.65 -0.80 0.52 0.78 0.00 0.00 0.00 179.25 180.39 2qa2 h GLY 313 N 0.00 0.06 1.46 0.00 0.00 -2.00 -0.43 103.07 102.16 2qa2 h GLY 313 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2qa2 h GLY 313 CO -0.00 0.00 0.23 -2.00 0.00 0.00 0.00 176.54 174.77 2qa2 h LEU 314 N 0.03 0.64 -1.18 3.11 5.85 -1.17 -3.00 115.31 119.59 2qa2 h LEU 314 Ca 0.35 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 2qa2 h LEU 314 Cb 1.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2qa2 h LEU 314 CO -0.01 0.55 -0.38 0.25 -0.34 0.00 0.00 178.44 178.50 2qa2 h LEU 315 N 0.71 0.00 -1.32 2.25 5.85 -1.27 -2.75 115.31 118.78 2qa2 h LEU 315 Ca 0.18 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2qa2 h LEU 315 Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2qa2 h LEU 315 CO -0.02 0.38 0.23 0.44 -0.34 0.00 0.00 178.44 179.13 2qa2 h ASP 316 N 0.00 0.63 -0.16 1.25 3.32 -1.57 -1.82 116.42 118.07 2qa2 h ASP 316 Ca -0.00 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.04 2qa2 h ASP 316 Cb 0.75 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2qa2 h ASP 316 CO 0.05 0.55 0.24 0.71 -1.72 0.00 0.00 179.24 179.07 2qa2 h THR 317 N 0.70 0.31 0.14 0.35 1.35 -1.60 -0.13 112.91 114.03 2qa2 h THR 317 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.03 2qa2 h THR 317 Cb 0.09 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 2qa2 h THR 317 CO -0.02 0.00 -0.11 0.22 -0.25 0.00 0.00 175.52 175.36 2qa2 h TYR 318 N 0.00 -0.28 0.48 4.73 3.20 -1.48 0.20 116.97 123.82 2qa2 h TYR 318 Ca 0.08 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2qa2 h TYR 318 Cb 0.57 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2qa2 h TYR 318 CO 0.00 -0.17 -0.49 1.25 -1.64 0.00 0.00 178.16 177.11 2qa2 h HIS 319 N -0.26 -1.36 -0.54 -3.82 2.76 -1.20 -2.20 115.15 108.54 2qa2 h HIS 319 Ca -0.00 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 2qa2 h HIS 319 Cb 0.23 0.53 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 2qa2 h HIS 319 CO -0.10 -0.66 0.37 0.93 -1.30 0.00 0.00 177.93 177.17 2qa2 h GLU 320 N -0.98 0.29 0.00 5.26 5.08 -1.10 -0.78 114.58 122.36 2qa2 h GLU 320 Ca -0.06 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 2qa2 h GLU 320 Cb 0.85 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2qa2 h GLU 320 CO -0.07 0.19 -1.08 0.93 -1.00 0.00 0.00 179.01 177.98 2qa2 h GLU 321 N 0.30 0.00 0.00 2.33 5.08 -0.59 -3.41 114.58 118.29 2qa2 h GLU 321 Ca 0.25 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 2qa2 h GLU 321 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2qa2 h GLU 321 CO -0.06 0.52 -1.88 0.54 -1.00 0.00 0.00 179.01 177.14 2qa2 n ARG 322 N -3.11 1.74 -0.07 2.33 5.12 -0.48 -4.11 116.66 118.08 2qa2 n ARG 322 Ca -0.05 0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 55.81 2qa2 n ARG 322 Cb 0.86 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.82 2qa2 n ARG 322 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2qa2 h HIS 323 N 0.00 -0.39 -0.70 -1.55 2.76 -1.41 0.11 115.15 113.97 2qa2 h HIS 323 Ca -0.35 0.03 0.15 0.00 -2.20 0.00 0.00 60.37 58.01 2qa2 h HIS 323 Cb 1.75 0.21 -0.13 0.00 1.55 0.00 0.00 27.41 30.80 2qa2 h HIS 323 CO 0.00 -0.23 -0.05 -1.35 -1.30 0.00 0.00 177.93 175.00 2qa2 h PRO 324 N -0.12 0.07 -0.28 5.26 0.11 -1.79 0.28 132.00 135.53 2qa2 h PRO 324 Ca 0.15 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2qa2 h PRO 324 Cb 0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2qa2 h PRO 324 CO -0.36 0.05 0.12 0.28 -0.21 0.00 0.00 178.00 177.88 2qa2 h VAL 325 N 0.07 1.16 -0.42 3.15 2.07 -1.41 -1.20 116.25 119.66 2qa2 h VAL 325 Ca 0.37 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2qa2 h VAL 325 Cb 0.61 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2qa2 h VAL 325 CO -0.65 0.16 0.16 1.23 0.02 0.00 0.00 177.57 178.50 2qa2 h GLY 326 N 0.30 0.65 0.90 2.17 0.00 -0.20 0.72 103.07 107.62 2qa2 h GLY 326 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2qa2 h GLY 326 CO -0.01 0.30 0.10 -0.09 0.00 0.00 0.00 176.54 176.84 2qa2 h ARG 327 N 0.60 0.45 0.00 4.80 2.43 -0.08 -1.82 114.38 120.75 2qa2 h ARG 327 Ca 0.15 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2qa2 h ARG 327 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2qa2 h ARG 327 CO -0.01 0.49 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.66 2qa2 h ARG 328 N 0.31 0.00 -0.25 0.20 2.43 -0.59 -1.19 114.38 115.29 2qa2 h ARG 328 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2qa2 h ARG 328 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2qa2 h ARG 328 CO -0.00 0.19 0.15 1.25 -1.51 0.00 0.00 179.97 180.04 2qa2 h LEU 329 N 0.00 0.30 -0.76 3.80 5.85 -0.35 0.56 115.31 124.71 2qa2 h LEU 329 Ca -0.00 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2qa2 h LEU 329 Cb 0.42 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2qa2 h LEU 329 CO 0.02 0.27 0.49 -0.07 -0.34 0.00 0.00 178.44 178.82 2qa2 h LEU 330 N 0.30 0.84 0.33 2.25 3.38 -0.43 -0.97 115.31 121.01 2qa2 h LEU 330 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qa2 h LEU 330 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qa2 h LEU 330 CO -0.02 0.60 -0.16 -0.03 0.09 0.00 0.00 178.44 178.93 2qa2 h MET 331 N 0.99 -0.42 -0.55 1.13 4.05 -0.88 -1.60 114.93 117.65 2qa2 h MET 331 Ca 0.29 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.85 2qa2 h MET 331 Cb -0.07 0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 30.72 2qa2 h MET 331 CO -0.08 -0.11 -0.14 -0.97 0.23 0.00 0.00 176.91 175.85 2qa2 h ASN 332 N -0.79 -0.51 0.07 1.39 -0.73 0.12 -2.03 115.58 113.11 2qa2 h ASN 332 Ca -0.05 0.17 -0.29 0.00 1.87 0.00 0.00 56.30 58.00 2qa2 h ASN 332 Cb 0.51 0.34 0.03 0.00 0.27 0.00 0.00 38.32 39.47 2qa2 h ASN 332 CO 0.07 -0.18 -1.16 0.00 -0.37 0.00 0.00 177.43 175.79 2qa2 h THR 333 N 0.00 1.28 -0.42 -3.57 1.03 -1.11 -1.54 112.91 108.58 2qa2 h THR 333 Ca 0.26 -2.36 -0.14 0.00 -0.01 0.00 0.00 66.41 64.16 2qa2 h THR 333 Cb 0.40 2.55 -0.01 0.00 -1.07 0.00 0.00 68.15 70.02 2qa2 h THR 333 CO -0.57 0.73 -0.28 -0.61 -0.01 0.00 0.00 175.52 174.77 2qa2 h GLN 334 N 0.33 0.91 0.38 0.00 5.75 -1.24 -1.01 115.11 120.24 2qa2 h GLN 334 Ca -0.16 -0.42 -0.00 0.00 -0.15 0.00 0.00 58.65 57.91 2qa2 h GLN 334 Cb 1.82 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 30.33 2qa2 h GLN 334 CO 0.22 1.07 -0.45 0.00 -2.65 0.00 0.00 178.83 177.02 2qa2 h ALA 335 N 0.90 -0.97 -0.98 3.38 0.00 -1.33 -1.61 119.26 118.65 2qa2 h ALA 335 Ca 0.09 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2qa2 h ALA 335 Cb 0.85 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 2qa2 h ALA 335 CO 0.08 -1.09 0.62 0.37 0.00 0.00 0.00 179.25 179.22 2qa2 h GLN 336 N -0.87 0.88 -0.11 0.00 4.15 -1.11 -1.85 115.11 116.20 2qa2 h GLN 336 Ca -0.03 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 2qa2 h GLN 336 Cb 0.79 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2qa2 h GLN 336 CO -0.10 0.58 -0.64 0.78 -1.93 0.00 0.00 178.83 177.52 2qa2 h GLY 337 N 0.90 0.45 1.11 2.39 0.00 -0.93 -2.22 103.07 104.78 2qa2 h GLY 337 Ca 0.49 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2qa2 h GLY 337 CO -0.26 0.52 -0.13 1.98 0.00 0.00 0.00 176.54 178.65 2qa2 h MET 338 N 0.30 1.03 0.06 4.80 1.85 -0.48 0.13 114.93 122.62 2qa2 h MET 338 Ca -0.01 -0.39 -0.00 0.00 -0.61 0.00 0.00 59.70 58.68 2qa2 h MET 338 Cb 1.19 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.16 2qa2 h MET 338 CO 0.11 1.08 -0.03 -0.07 -0.40 0.00 0.00 176.91 177.61 2qa2 h LEU 339 N 0.91 -0.07 -1.56 3.39 3.38 -1.33 -3.14 115.31 116.90 2qa2 h LEU 339 Ca 0.14 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qa2 h LEU 339 Cb 0.71 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2qa2 h LEU 339 CO 0.05 0.18 0.35 0.15 0.09 0.00 0.00 178.44 179.27 2qa2 h PHE 340 N -0.32 0.56 -0.02 1.13 3.04 -1.24 -3.32 116.94 116.77 2qa2 h PHE 340 Ca -0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2qa2 h PHE 340 Cb 0.28 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2qa2 h PHE 340 CO 0.00 0.32 0.00 -0.11 -2.02 0.00 0.00 178.31 176.50 2qa2 n LEU 341 N -4.47 2.03 0.00 0.59 7.94 0.44 -4.93 117.00 118.60 2qa2 n LEU 341 Ca 0.06 -1.01 -0.20 0.00 -1.11 0.00 0.00 56.01 53.76 2qa2 n LEU 341 Cb 0.17 -0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.20 2qa2 n LEU 341 CO 0.35 0.38 0.42 -1.20 -1.11 0.00 0.00 177.39 176.23 2qa2 n SER 342 N 0.69 1.67 -3.46 1.96 7.64 -1.19 -4.66 113.62 116.27 2qa2 n SER 342 Ca 0.07 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2qa2 n SER 342 Cb 0.31 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2qa2 n SER 342 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qa2 n GLY 343 N -1.86 -1.33 0.00 0.23 0.00 -1.26 -4.79 105.19 96.18 2qa2 n GLY 343 Ca 0.15 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.96 2qa2 n GLY 343 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa2 n ASP 344 N 0.00 0.00 0.15 1.61 8.00 -1.26 -3.53 116.55 121.52 2qa2 n ASP 344 Ca 0.00 -1.01 0.04 0.00 0.71 0.00 0.00 54.79 54.52 2qa2 n ASP 344 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 2qa2 n ASP 344 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2qa2 h GLU 345 N 0.00 0.00 -0.23 -1.24 4.81 -2.01 -3.05 114.58 112.86 2qa2 h GLU 345 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qa2 h GLU 345 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qa2 h GLU 345 CO 0.00 0.46 0.00 -0.12 -0.73 0.00 0.00 179.01 178.62 2qa2 n MET 346 N -3.27 2.01 -0.02 1.92 1.56 -1.23 -4.50 117.12 113.58 2qa2 n MET 346 Ca 0.02 -1.52 -0.13 0.00 -0.27 0.00 0.00 57.70 55.79 2qa2 n MET 346 Cb 0.68 -1.44 -0.09 0.00 2.15 0.00 0.00 33.22 34.52 2qa2 n MET 346 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 2qa2 h GLN 347 N 3.08 0.08 -0.86 2.12 5.75 -1.75 -2.47 115.11 121.06 2qa2 h GLN 347 Ca 0.00 -0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.66 2qa2 h GLN 347 Cb 0.67 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.11 2qa2 h GLN 347 CO 0.00 0.57 0.35 -1.35 -2.65 0.00 0.00 178.83 175.75 2qa2 h PRO 348 N -0.41 0.39 0.00 -2.39 0.11 -1.80 -0.73 132.00 127.16 2qa2 h PRO 348 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2qa2 h PRO 348 Cb 0.56 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2qa2 h PRO 348 CO 0.01 0.26 0.00 1.25 -0.21 0.00 0.00 178.00 179.30 2qa2 h LEU 349 N 0.40 0.00 0.00 2.35 5.85 -1.79 -2.10 115.31 120.02 2qa2 h LEU 349 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2qa2 h LEU 349 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2qa2 h LEU 349 CO -0.51 0.00 -0.93 -2.11 -0.34 0.00 0.00 178.44 174.56 2qa2 n ARG 350 N -3.00 0.39 -0.02 1.25 1.85 -0.79 -2.62 116.66 113.72 2qa2 n ARG 350 Ca 0.03 0.05 -0.06 0.00 -1.00 0.00 0.00 57.85 56.88 2qa2 n ARG 350 Cb 0.45 -1.68 0.14 0.00 -1.05 0.00 0.00 32.46 30.32 2qa2 n ARG 350 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2qa2 h ASP 351 N 0.00 0.59 0.02 2.89 5.19 -0.53 -0.59 116.42 123.99 2qa2 h ASP 351 Ca 0.00 -0.22 -0.27 0.00 -0.62 0.00 0.00 57.03 55.91 2qa2 h ASP 351 Cb 0.82 -0.16 0.02 0.00 0.18 0.00 0.00 39.33 40.19 2qa2 h ASP 351 CO 0.00 0.86 -1.07 -0.37 -3.12 0.00 0.00 179.24 175.53 2qa2 h VAL 352 N 0.50 1.28 -0.86 -1.35 -1.51 -1.46 -2.85 116.25 110.00 2qa2 h VAL 352 Ca 0.06 -2.27 0.08 0.00 -1.23 0.00 0.00 66.70 63.34 2qa2 h VAL 352 Cb 0.76 2.42 -0.07 0.00 -2.13 0.00 0.00 31.29 32.28 2qa2 h VAL 352 CO 0.06 0.70 0.52 0.25 -1.23 0.00 0.00 177.57 177.87 2qa2 h LEU 353 N 0.38 0.78 -1.42 4.19 5.85 -1.41 0.16 115.31 123.85 2qa2 h LEU 353 Ca -0.14 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2qa2 h LEU 353 Cb 1.73 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 2qa2 h LEU 353 CO 0.21 0.47 0.13 0.28 -0.34 0.00 0.00 178.44 179.19 2qa2 h SER 354 N 0.90 0.47 -0.25 1.25 0.02 -1.10 0.34 113.55 115.17 2qa2 h SER 354 Ca 0.39 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 2qa2 h SER 354 Cb 0.28 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2qa2 h SER 354 CO -0.21 0.44 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.30 2qa2 h GLU 355 N 0.51 0.64 -0.24 3.45 5.08 -0.60 -3.16 114.58 120.26 2qa2 h GLU 355 Ca 0.13 -0.35 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 2qa2 h GLU 355 Cb 0.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2qa2 h GLU 355 CO -0.01 0.96 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.41 2qa2 h LEU 356 N 0.35 0.83 -1.75 1.33 3.38 -0.09 -3.09 115.31 116.26 2qa2 h LEU 356 Ca 0.03 -0.55 0.28 0.00 0.09 0.00 0.00 57.88 57.74 2qa2 h LEU 356 Cb 0.87 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2qa2 h LEU 356 CO 0.07 1.22 0.71 0.40 0.09 0.00 0.00 178.44 180.93 2qa2 h ILE 357 N 0.47 0.51 -0.12 1.22 2.04 -0.37 -1.46 117.51 119.80 2qa2 h ILE 357 Ca 0.01 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2qa2 h ILE 357 Cb 1.08 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2qa2 h ILE 357 CO 0.11 0.03 0.21 0.03 0.00 0.00 0.00 178.15 178.53 2qa2 h ARG 358 N 0.17 0.00 0.00 2.37 3.08 -1.50 -3.30 114.38 115.19 2qa2 h ARG 358 Ca 0.52 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.20 2qa2 h ARG 358 Cb 1.76 0.00 0.18 0.00 0.08 0.00 0.00 29.97 31.98 2qa2 h ARG 358 CO -0.11 0.00 0.17 0.66 -1.07 0.00 0.00 179.97 179.61 2qa2 n TYR 359 N -3.43 -3.87 -0.09 3.04 0.53 -0.55 -4.98 117.16 107.80 2qa2 n TYR 359 Ca 0.00 -0.95 -0.23 0.00 -1.02 0.00 0.00 57.90 55.69 2qa2 n TYR 359 Cb 0.31 -1.03 -0.12 0.00 -1.03 0.00 0.00 39.34 37.47 2qa2 n TYR 359 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2qa2 n ASP 360 N -4.53 1.96 0.06 7.72 9.92 -1.26 -3.72 116.55 126.70 2qa2 n ASP 360 Ca 0.14 0.28 -0.14 0.00 -0.53 0.00 0.00 54.79 54.54 2qa2 n ASP 360 Cb 0.54 -0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 2qa2 n ASP 360 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2qa2 h GLU 361 N -0.63 -0.58 -0.00 -1.24 5.08 -1.94 0.20 114.58 115.46 2qa2 h GLU 361 Ca -0.50 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2qa2 h GLU 361 Cb 1.63 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 2qa2 h GLU 361 CO -0.19 -0.39 -0.13 0.28 -1.00 0.00 0.00 179.01 177.58 2qa2 h VAL 362 N -0.60 0.68 -0.78 3.13 2.07 -1.83 -1.05 116.25 117.86 2qa2 h VAL 362 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2qa2 h VAL 362 Cb 0.67 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2qa2 h VAL 362 CO -0.32 0.00 0.49 -1.28 0.02 0.00 0.00 177.57 176.47 2qa2 h SER 363 N -0.22 0.78 0.29 0.57 0.87 -1.60 -2.27 113.55 111.97 2qa2 h SER 363 Ca 0.05 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2qa2 h SER 363 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2qa2 h SER 363 CO -0.13 0.52 -0.21 0.03 -0.53 0.00 0.00 176.83 176.51 2qa2 h ARG 364 N 0.92 -0.48 -0.46 2.24 3.08 -0.71 -2.28 114.38 116.69 2qa2 h ARG 364 Ca 0.33 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.50 2qa2 h ARG 364 Cb 0.08 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 2qa2 h ARG 364 CO -0.14 -0.32 -0.11 1.25 -1.07 0.00 0.00 179.97 179.59 2qa2 h HIS 365 N -0.50 -0.23 -0.09 3.04 2.76 -0.64 0.95 115.15 120.45 2qa2 h HIS 365 Ca -0.02 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.03 2qa2 h HIS 365 Cb 0.43 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2qa2 h HIS 365 CO -0.12 -0.19 -0.64 -0.07 -1.30 0.00 0.00 177.93 175.61 2qa2 h LEU 366 N 0.01 0.40 -0.72 0.26 3.38 -1.53 0.49 115.31 117.60 2qa2 h LEU 366 Ca 0.22 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qa2 h LEU 366 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qa2 h LEU 366 CO -0.47 0.94 -0.09 0.00 0.09 0.00 0.00 178.44 178.90 2qa2 h ALA 367 N 1.06 0.92 0.41 1.53 0.00 -0.61 -0.50 119.26 122.07 2qa2 h ALA 367 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2qa2 h ALA 367 Cb 1.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2qa2 h ALA 367 CO 0.11 0.63 -0.36 0.78 0.00 0.00 0.00 179.25 180.41 2qa2 h GLY 368 N 0.97 -0.86 0.70 0.00 0.00 0.11 -2.13 103.07 101.86 2qa2 h GLY 368 Ca 0.13 0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.89 2qa2 h GLY 368 CO 0.04 -0.31 -0.07 1.98 0.00 0.00 0.00 176.54 178.18 2qa2 h MET 369 N -0.77 -0.08 -0.40 4.80 -1.53 -0.74 -2.17 114.93 114.04 2qa2 h MET 369 Ca -0.04 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 2qa2 h MET 369 Cb 0.68 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 2qa2 h MET 369 CO -0.03 -0.05 0.12 0.28 0.14 0.00 0.00 176.91 177.37 2qa2 h VAL 370 N -0.08 1.22 0.00 -5.77 2.07 -1.14 -3.13 116.25 109.42 2qa2 h VAL 370 Ca 0.06 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2qa2 h VAL 370 Cb 0.17 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2qa2 h VAL 370 CO -0.14 0.26 0.00 0.77 0.02 0.00 0.00 177.57 178.48 2qa2 h SER 371 N 0.51 0.00 0.00 0.57 4.64 -1.28 -3.47 113.55 114.52 2qa2 h SER 371 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2qa2 h SER 371 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2qa2 h SER 371 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2qa2 n GLY 372 N 0.48 0.53 0.08 -0.77 0.00 -0.84 -2.91 105.19 101.76 2qa2 n GLY 372 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2qa2 n GLY 372 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa2 n LEU 373 N 0.00 0.37 -0.52 0.99 4.77 -1.08 -3.70 117.00 117.82 2qa2 n LEU 373 Ca 0.00 0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2qa2 n LEU 373 Cb 0.00 -0.24 0.46 0.00 -2.33 0.00 0.00 43.42 41.31 2qa2 n LEU 373 CO 0.00 0.07 0.83 -0.90 -1.33 0.00 0.00 177.39 176.06 2qa2 n ASP 374 N -1.10 1.60 -4.64 -1.43 5.68 -1.22 -4.83 116.55 110.62 2qa2 n ASP 374 Ca 0.13 -1.60 -0.43 0.00 -0.50 0.00 0.00 54.79 52.40 2qa2 n ASP 374 Cb 0.28 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 2qa2 n ASP 374 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2qa2 s ILE 375 N -1.91 3.46 -0.17 2.12 1.01 -1.24 -4.99 121.20 119.48 2qa2 s ILE 375 Ca 0.36 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.54 2qa2 s ILE 375 Cb 0.20 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2qa2 s ILE 375 CO 0.30 -0.16 -0.17 -0.60 0.00 0.00 0.00 174.94 174.31 2qa2 s ARG 376 N 4.77 2.62 0.32 2.79 3.52 -1.26 -4.08 118.95 127.64 2qa2 s ARG 376 Ca 0.79 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 55.61 2qa2 s ARG 376 Cb -0.30 -2.35 -0.06 0.00 -1.56 0.00 0.00 34.95 30.68 2qa2 s ARG 376 CO 0.32 -0.23 0.61 0.71 -0.81 0.00 0.00 175.30 175.90 2qa2 s TYR 377 N 1.38 3.47 -0.05 5.12 4.12 0.89 -4.94 117.35 127.35 2qa2 s TYR 377 Ca 0.05 0.76 -0.30 0.00 0.02 0.00 0.00 57.07 57.60 2qa2 s TYR 377 Cb -0.13 -2.20 -0.06 0.00 -1.52 0.00 0.00 41.96 38.04 2qa2 s TYR 377 CO -0.12 0.10 1.77 -2.00 0.02 0.00 0.00 175.55 175.32 2qa2 s GLU 378 N -3.61 4.09 0.00 -0.62 2.56 -1.26 -4.38 118.70 115.48 2qa2 s GLU 378 Ca 0.46 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.69 2qa2 s GLU 378 Cb -0.11 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 31.96 2qa2 s GLU 378 CO 0.30 -0.98 0.00 1.33 -0.56 0.00 0.00 175.26 175.35 2qa2 n VAL 379 N 5.69 0.00 0.00 3.70 0.24 -1.26 -5.05 118.33 121.65 2qa2 n VAL 379 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 2qa2 n VAL 379 Cb 0.43 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2qa2 n VAL 379 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2qa2 n ASP 380 N -0.40 0.00 -1.72 -1.34 -0.08 -1.26 -5.02 116.55 106.73 2qa2 n ASP 380 Ca 0.00 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 2qa2 n ASP 380 Cb 0.02 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.42 2qa2 n ASP 380 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qa2 n GLY 381 N -0.02 2.56 3.85 0.27 0.00 -1.26 -4.90 105.19 105.69 2qa2 n GLY 381 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 2qa2 n GLY 381 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qa2 s GLY 382 N 2.02 1.63 0.19 -0.02 0.00 -1.26 -4.77 107.32 105.11 2qa2 s GLY 382 Ca 0.23 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 2qa2 s GLY 382 CO 0.00 -1.52 1.84 -1.80 0.00 0.00 0.00 173.10 171.62 2qa2 h ASP 383 N 1.32 0.65 -2.99 1.64 1.82 -1.91 -3.47 116.42 113.48 2qa2 h ASP 383 Ca -0.46 -0.01 -0.54 0.00 -0.39 0.00 0.00 57.03 55.63 2qa2 h ASP 383 Cb 1.25 -0.15 0.08 0.00 0.68 0.00 0.00 39.33 41.19 2qa2 h ASP 383 CO 0.59 0.46 0.85 1.57 -1.61 0.00 0.00 179.24 181.10 2qa2 n HIS 384 N -4.70 2.68 -0.11 0.28 -0.00 -1.25 -4.92 115.22 107.20 2qa2 n HIS 384 Ca 0.05 0.24 -0.02 0.00 0.46 0.00 0.00 57.72 58.46 2qa2 n HIS 384 Cb 0.05 -2.59 0.22 0.00 -0.12 0.00 0.00 29.99 27.56 2qa2 n HIS 384 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2qa2 h PRO 385 N 5.14 0.79 0.00 1.57 0.11 -1.96 -3.06 132.00 134.59 2qa2 h PRO 385 Ca -0.46 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 65.43 2qa2 h PRO 385 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qa2 h PRO 385 CO 0.82 0.69 -0.37 1.25 -0.21 0.00 0.00 178.00 180.18 2qa2 h LEU 386 N 0.77 0.00 -8.83 2.35 5.85 -1.92 -3.45 115.31 110.08 2qa2 h LEU 386 Ca 0.18 0.00 -0.78 0.00 0.84 0.00 0.00 57.88 58.12 2qa2 h LEU 386 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qa2 h LEU 386 CO -0.01 0.37 0.97 0.18 -0.34 0.00 0.00 178.44 179.62 2qa2 n LEU 387 N -3.32 1.72 0.00 2.25 4.77 -1.16 -1.01 117.00 120.25 2qa2 n LEU 387 Ca 0.01 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2qa2 n LEU 387 Cb 0.60 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2qa2 n LEU 387 CO 0.37 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2qa2 n GLY 388 N 5.00 1.29 4.02 -0.72 0.00 -0.54 -4.73 105.19 109.50 2qa2 n GLY 388 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 2qa2 n GLY 388 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qa2 s MET 389 N -0.26 2.24 0.52 1.61 -1.94 -0.18 -0.08 119.30 121.21 2qa2 s MET 389 Ca 0.00 -1.38 -0.20 0.00 -1.71 0.00 0.00 55.69 52.40 2qa2 s MET 389 Cb 0.00 -2.57 -0.06 0.00 2.01 0.00 0.00 34.83 34.20 2qa2 s MET 389 CO 0.00 -0.91 1.12 0.50 -0.01 0.00 0.00 175.02 175.72 2qa2 s ARG 390 N -4.75 3.49 -0.35 2.03 3.00 -1.26 -0.67 118.95 120.44 2qa2 s ARG 390 Ca 0.62 1.61 -0.24 0.00 -1.00 0.00 0.00 55.73 56.72 2qa2 s ARG 390 Cb -0.07 -2.10 0.01 0.00 0.00 0.00 0.00 34.95 32.80 2qa2 s ARG 390 CO 0.39 -0.74 0.82 1.41 0.00 0.00 0.00 175.30 177.18 2qa2 s MET 391 N -3.16 3.83 0.52 5.12 -2.45 0.45 -4.76 119.30 118.85 2qa2 s MET 391 Ca 0.70 0.44 -0.20 0.00 -1.25 0.00 0.00 55.69 55.38 2qa2 s MET 391 Cb -0.24 -3.79 -0.06 0.00 1.25 0.00 0.00 34.83 31.99 2qa2 s MET 391 CO 0.27 -0.83 1.12 -1.25 1.05 0.00 0.00 175.02 175.39 2qa2 s PRO 392 N 3.14 3.49 0.07 4.11 0.04 -1.26 -4.93 135.00 139.66 2qa2 s PRO 392 Ca 0.33 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 2qa2 s PRO 392 Cb -0.13 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2qa2 s PRO 392 CO 0.16 -0.73 1.85 -1.58 0.04 0.00 0.00 177.00 176.74 2qa2 s HIS 393 N -1.75 1.83 -0.06 0.56 5.65 -1.26 -4.88 115.29 115.38 2qa2 s HIS 393 Ca 0.70 -0.14 -0.02 0.00 0.25 0.00 0.00 55.06 55.84 2qa2 s HIS 393 Cb -0.24 -4.16 0.04 0.00 -1.18 0.00 0.00 32.58 27.04 2qa2 s HIS 393 CO 0.28 -4.97 0.13 -1.14 -0.65 0.00 0.00 174.74 168.38 2qa2 s GLN 394 N 3.49 0.05 0.42 2.88 2.00 -1.26 -5.00 119.66 122.23 2qa2 s GLN 394 Ca 0.83 0.39 -0.24 0.00 -2.00 0.00 0.00 55.36 54.34 2qa2 s GLN 394 Cb -0.43 -0.23 -0.08 0.00 0.80 0.00 0.00 33.01 33.06 2qa2 s GLN 394 CO 0.37 -0.21 1.11 -2.00 -0.50 0.00 0.00 175.29 174.07 2qa2 s GLU 395 N 1.49 4.00 0.09 1.67 2.12 -1.26 -1.42 118.70 125.38 2qa2 s GLU 395 Ca -0.05 1.66 0.04 0.00 0.36 0.00 0.00 54.97 56.98 2qa2 s GLU 395 Cb -0.12 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 2qa2 s GLU 395 CO -0.05 -0.32 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.73 2qa2 s LEU 396 N -2.75 2.36 -0.49 2.70 1.43 0.23 -1.73 118.68 120.43 2qa2 s LEU 396 Ca 0.60 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2qa2 s LEU 396 Cb -0.26 -0.34 0.12 0.00 0.03 0.00 0.00 46.19 45.74 2qa2 s LEU 396 CO 0.32 -0.21 0.38 -0.69 0.23 0.00 0.00 176.35 176.38 2qa2 s VAL 397 N -2.05 4.48 0.59 -1.59 1.01 0.13 -1.45 120.40 121.52 2qa2 s VAL 397 Ca 0.02 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 2qa2 s VAL 397 Cb -0.05 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2qa2 s VAL 397 CO 0.01 -0.78 0.87 -0.60 0.00 0.00 0.00 175.10 174.60 2qa2 s ARG 398 N 1.43 2.70 0.00 2.72 6.06 -0.86 -2.75 118.95 128.25 2qa2 s ARG 398 Ca 0.05 -0.29 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 2qa2 s ARG 398 Cb -0.27 -2.33 0.00 0.00 0.06 0.00 0.00 34.95 32.41 2qa2 s ARG 398 CO 0.01 -0.76 0.87 0.00 -2.50 0.00 0.00 175.30 172.91 2qa2 n ALA 399 N -2.54 -0.08 -3.25 6.12 0.00 -1.26 -3.85 120.51 115.64 2qa2 n ALA 399 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 2qa2 n ALA 399 Cb 0.59 0.34 -0.13 0.00 0.00 0.00 0.00 19.45 20.25 2qa2 n ALA 399 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qa2 s HIS 400 N -2.49 3.19 0.00 0.00 5.65 -1.26 -5.01 115.29 115.37 2qa2 s HIS 400 Ca 0.00 -1.23 0.00 0.00 0.25 0.00 0.00 55.06 54.08 2qa2 s HIS 400 Cb 0.00 -2.24 0.00 0.00 -1.18 0.00 0.00 32.58 29.16 2qa2 s HIS 400 CO 0.00 -0.66 0.00 0.41 -0.65 0.00 0.00 174.74 173.84 2qa2 n GLY 401 N 4.82 2.44 3.89 1.59 0.00 -1.25 -5.06 105.19 111.62 2qa2 n GLY 401 Ca -0.14 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2qa2 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa2 s LYS 402 N -3.98 3.67 0.36 1.61 1.02 -1.26 -2.03 119.74 119.13 2qa2 s LYS 402 Ca 0.00 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 2qa2 s LYS 402 Cb 0.00 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2qa2 s LYS 402 CO 0.00 -0.03 0.60 -2.37 -0.92 0.00 0.00 175.35 172.63 2qa2 n THR 403 N -1.53 0.00 -4.21 2.17 5.66 -0.53 -4.87 114.28 110.96 2qa2 n THR 403 Ca 0.01 -1.37 -0.16 0.00 -3.05 0.00 0.00 64.05 59.47 2qa2 n THR 403 Cb 0.54 1.01 -0.13 0.00 -1.55 0.00 0.00 70.33 70.20 2qa2 n THR 403 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2qa2 s SER 404 N -3.05 1.01 0.30 1.09 1.04 -1.26 0.78 113.70 113.61 2qa2 s SER 404 Ca 0.22 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.44 2qa2 s SER 404 Cb -0.03 -0.06 0.94 0.00 0.10 0.00 0.00 66.02 66.98 2qa2 s SER 404 CO 0.16 -0.01 1.37 0.41 0.98 0.00 0.00 173.24 176.15 2qa2 n THR 405 N 2.26 -0.37 -0.13 2.02 -1.04 -0.51 -0.29 114.28 116.22 2qa2 n THR 405 Ca -0.17 1.84 -0.12 0.00 -2.04 0.00 0.00 64.05 63.57 2qa2 n THR 405 Cb 0.56 -2.85 -0.02 0.00 -1.82 0.00 0.00 70.33 66.20 2qa2 n THR 405 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2qa2 h THR 406 N 0.00 1.28 0.00 12.58 2.02 -1.90 -3.10 112.91 123.79 2qa2 h THR 406 Ca 0.64 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 2qa2 h THR 406 Cb 1.56 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2qa2 h THR 406 CO -0.74 0.41 -0.44 -0.33 0.37 0.00 0.00 175.52 174.79 2qa2 h GLU 407 N 0.57 0.00 0.00 6.66 5.08 -0.97 -2.64 114.58 123.28 2qa2 h GLU 407 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qa2 h GLU 407 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2qa2 h GLU 407 CO 0.05 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 2qa2 n LEU 408 N -3.76 0.56 -0.15 1.33 4.77 -0.66 -2.35 117.00 116.74 2qa2 n LEU 408 Ca -0.01 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 2qa2 n LEU 408 Cb 0.51 -0.62 0.16 0.00 -2.33 0.00 0.00 43.42 41.14 2qa2 n LEU 408 CO 0.39 -0.61 0.38 0.18 -1.33 0.00 0.00 177.39 176.39 2qa2 n LEU 409 N -2.15 1.02 -0.31 2.23 4.77 -0.99 -4.33 117.00 117.24 2qa2 n LEU 409 Ca 0.01 -0.31 0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2qa2 n LEU 409 Cb 0.18 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.45 2qa2 n LEU 409 CO 0.16 0.21 0.89 0.45 -1.33 0.00 0.00 177.39 177.77 2qa2 h HIS 410 N 0.76 0.19 0.00 -1.77 3.86 -0.77 -0.33 115.15 117.09 2qa2 h HIS 410 Ca 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2qa2 h HIS 410 Cb 0.55 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2qa2 h HIS 410 CO 0.00 -0.32 0.00 -1.35 0.86 0.00 0.00 177.93 177.12 2qa2 h PRO 411 N 0.11 0.00 -0.36 2.45 0.11 -1.82 -3.45 132.00 129.04 2qa2 h PRO 411 Ca 0.58 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.57 2qa2 h PRO 411 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2qa2 h PRO 411 CO -0.77 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 176.91 2qa2 n ALA 412 N -1.91 -0.10 -1.98 -0.75 0.00 -0.14 -4.82 120.51 110.81 2qa2 n ALA 412 Ca 0.04 0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 2qa2 n ALA 412 Cb 0.44 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.00 2qa2 n ALA 412 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qa2 s ARG 413 N -2.77 2.46 0.72 0.00 0.52 -1.26 -4.69 118.95 113.93 2qa2 s ARG 413 Ca 0.00 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 2qa2 s ARG 413 Cb 0.00 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.15 2qa2 s ARG 413 CO 0.00 -0.89 1.12 0.20 0.02 0.00 0.00 175.30 175.75 2qa2 s GLY 414 N -4.44 2.02 -0.14 -3.53 0.00 -0.91 -4.26 107.32 96.06 2qa2 s GLY 414 Ca 0.58 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.84 2qa2 s GLY 414 CO 0.41 0.90 -0.18 0.14 0.00 0.00 0.00 173.10 174.37 2qa2 s VAL 415 N -2.46 1.79 -0.25 1.40 1.01 -0.45 -0.16 120.40 121.28 2qa2 s VAL 415 Ca 0.67 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2qa2 s VAL 415 Cb -0.21 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2qa2 s VAL 415 CO 0.47 0.50 0.11 -0.22 0.00 0.00 0.00 175.10 175.96 2qa2 s LEU 416 N 1.15 3.70 -0.52 3.92 2.96 -0.90 -0.57 118.68 128.41 2qa2 s LEU 416 Ca -0.01 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2qa2 s LEU 416 Cb -0.14 -1.99 0.14 0.00 0.50 0.00 0.00 46.19 44.69 2qa2 s LEU 416 CO -0.07 -0.00 0.37 -0.22 -1.32 0.00 0.00 176.35 175.11 2qa2 s LEU 417 N 1.43 5.55 -0.46 -0.68 2.96 -0.49 -0.89 118.68 126.09 2qa2 s LEU 417 Ca 0.06 -2.25 -0.26 0.00 -0.22 0.00 0.00 54.13 51.45 2qa2 s LEU 417 Cb -0.15 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2qa2 s LEU 417 CO 0.05 -0.56 0.98 -0.62 -1.32 0.00 0.00 176.35 174.88 2qa2 s ASP 418 N 1.89 6.55 -0.17 3.68 2.15 0.62 -2.70 116.67 128.69 2qa2 s ASP 418 Ca 0.10 0.24 0.07 0.00 0.43 0.00 0.00 52.55 53.39 2qa2 s ASP 418 Cb -0.22 -2.48 -0.15 0.00 -0.30 0.00 0.00 42.92 39.77 2qa2 s ASP 418 CO -0.03 -1.09 -0.06 -0.38 -0.17 0.00 0.00 175.17 173.44 2qa2 n ILE 419 N 6.50 1.06 1.12 4.11 5.41 -0.32 -1.70 119.36 135.54 2qa2 n ILE 419 Ca 0.08 -0.52 0.14 0.00 1.00 0.00 0.00 62.75 63.44 2qa2 n ILE 419 Cb 0.49 -0.90 0.56 0.00 -0.71 0.00 0.00 39.64 39.07 2qa2 n ILE 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qa2 n ALA 420 N -2.82 2.68 -2.71 -1.39 0.00 -1.10 -4.73 120.51 110.44 2qa2 n ALA 420 Ca -0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 52.89 2qa2 n ALA 420 Cb 0.92 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 19.00 2qa2 n ALA 420 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qa2 n ASP 421 N -1.38 -7.38 -3.90 0.00 2.03 -1.26 -5.05 116.55 99.60 2qa2 n ASP 421 Ca 0.09 0.52 -0.30 0.00 0.52 0.00 0.00 54.79 55.62 2qa2 n ASP 421 Cb 0.32 -4.97 -0.15 0.00 -0.72 0.00 0.00 41.12 35.59 2qa2 n ASP 421 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2qa2 s ASP 422 N -2.41 4.14 0.55 1.67 2.15 -1.26 -4.99 116.67 116.51 2qa2 s ASP 422 Ca 0.22 -1.56 0.22 0.00 0.43 0.00 0.00 52.55 51.85 2qa2 s ASP 422 Cb -0.06 -1.21 1.50 0.00 -0.30 0.00 0.00 42.92 42.85 2qa2 s ASP 422 CO 0.69 -0.32 2.19 0.00 -0.17 0.00 0.00 175.17 177.56 2qa2 h ALA 423 N 7.90 1.76 -1.00 3.66 0.00 -1.99 -2.10 119.26 127.50 2qa2 h ALA 423 Ca -0.13 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2qa2 h ALA 423 Cb 1.04 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2qa2 h ALA 423 CO 0.46 0.02 0.63 1.49 0.00 0.00 0.00 179.25 181.84 2qa2 h GLU 424 N 0.00 0.95 0.04 0.00 4.57 -2.00 -1.77 114.58 116.37 2qa2 h GLU 424 Ca -0.00 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.87 2qa2 h GLU 424 Cb 0.02 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2qa2 h GLU 424 CO 0.00 0.63 -1.00 -0.39 -1.18 0.00 0.00 179.01 177.07 2qa2 h VAL 425 N 0.98 1.32 0.00 0.32 -1.51 -1.82 -2.86 116.25 112.68 2qa2 h VAL 425 Ca 0.50 -2.28 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 2qa2 h VAL 425 Cb 0.51 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 2qa2 h VAL 425 CO -0.27 0.69 0.00 0.54 -1.23 0.00 0.00 177.57 177.31 2qa2 n ARG 426 N -3.93 0.02 -0.09 5.19 1.74 -1.02 -2.58 116.66 115.99 2qa2 n ARG 426 Ca -0.12 0.31 -0.16 0.00 -0.77 0.00 0.00 57.85 57.11 2qa2 n ARG 426 Cb 0.87 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 30.68 2qa2 n ARG 426 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2qa2 n GLU 427 N -1.59 0.53 -0.21 5.56 2.13 -0.70 -3.10 120.64 123.27 2qa2 n GLU 427 Ca 0.03 0.56 0.24 0.00 0.66 0.00 0.00 57.16 58.65 2qa2 n GLU 427 Cb 0.15 -1.73 0.62 0.00 0.27 0.00 0.00 31.44 30.75 2qa2 n GLU 427 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qa2 h ALA 428 N -0.67 2.53 0.00 4.31 0.00 -1.36 0.95 119.26 125.03 2qa2 h ALA 428 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qa2 h ALA 428 Cb 1.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qa2 h ALA 428 CO -0.15 -0.80 -0.54 0.00 0.00 0.00 0.00 179.25 177.76 2qa2 n ALA 429 N -2.61 3.29 -0.34 0.00 0.00 -1.07 -4.28 120.51 115.50 2qa2 n ALA 429 Ca 0.19 -0.31 0.27 0.00 0.00 0.00 0.00 53.44 53.59 2qa2 n ALA 429 Cb 0.83 -1.15 0.58 0.00 0.00 0.00 0.00 19.45 19.71 2qa2 n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qa2 h THR 430 N 0.00 0.44 0.00 0.00 1.03 -0.73 0.22 112.91 113.87 2qa2 h THR 430 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2qa2 h THR 430 Cb 0.58 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 2qa2 h THR 430 CO 0.00 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 176.17 2qa2 n GLY 431 N -1.54 -0.55 0.00 2.99 0.00 -1.26 -2.07 105.19 102.76 2qa2 n GLY 431 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qa2 n GLY 431 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qa2 n TRP 432 N -0.76 0.00 0.25 1.61 8.01 0.77 -1.26 117.44 126.06 2qa2 n TRP 432 Ca 0.07 -0.09 0.13 0.00 -1.31 0.00 0.00 57.50 56.30 2qa2 n TRP 432 Cb 0.03 -0.01 0.63 0.00 -2.01 0.00 0.00 31.31 29.96 2qa2 n TRP 432 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2qa2 h SER 433 N 0.00 0.00 0.87 -0.99 4.64 -1.33 0.52 113.55 117.27 2qa2 h SER 433 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2qa2 h SER 433 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2qa2 h SER 433 CO 0.00 0.00 -0.20 -2.24 -0.87 0.00 0.00 176.83 173.52 2qa2 h ASP 434 N 0.00 0.00 0.00 4.97 2.03 -1.87 -3.37 116.42 118.18 2qa2 h ASP 434 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2qa2 h ASP 434 Cb 0.13 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2qa2 h ASP 434 CO 0.00 0.20 -1.05 0.54 -1.03 0.00 0.00 179.24 177.90 2qa2 n ARG 435 N -3.39 2.00 -5.02 4.15 1.74 0.15 -5.01 116.66 111.29 2qa2 n ARG 435 Ca -0.00 -0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 2qa2 n ARG 435 Cb 0.40 -1.02 -0.15 0.00 -1.02 0.00 0.00 32.46 30.67 2qa2 n ARG 435 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qa2 s VAL 436 N -2.04 2.64 -0.51 1.55 1.01 0.44 -2.13 120.40 121.35 2qa2 s VAL 436 Ca -0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 2qa2 s VAL 436 Cb 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.40 2qa2 s VAL 436 CO 0.04 0.56 0.82 -1.81 0.00 0.00 0.00 175.10 174.72 2qa2 s ASP 437 N -0.19 6.33 -0.26 3.32 1.01 0.77 -4.35 116.67 123.30 2qa2 s ASP 437 Ca -0.01 -0.43 -0.29 0.00 0.71 0.00 0.00 52.55 52.53 2qa2 s ASP 437 Cb -0.13 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2qa2 s ASP 437 CO 0.03 -1.07 1.25 -0.63 0.21 0.00 0.00 175.17 174.96 2qa2 s ILE 438 N 3.46 4.26 -0.06 0.77 1.01 -1.26 -2.11 121.20 127.26 2qa2 s ILE 438 Ca 0.26 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.40 2qa2 s ILE 438 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2qa2 s ILE 438 CO 0.18 -0.37 -0.15 -0.69 0.00 0.00 0.00 174.94 173.92 2qa2 s VAL 439 N 3.98 1.30 -0.22 2.92 1.01 -0.07 -4.98 120.40 124.34 2qa2 s VAL 439 Ca 0.54 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2qa2 s VAL 439 Cb -0.17 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2qa2 s VAL 439 CO 0.19 0.39 -0.13 0.28 0.00 0.00 0.00 175.10 175.82 2qa2 s THR 440 N 0.35 2.39 0.26 3.92 -1.32 -1.26 -0.28 115.64 119.71 2qa2 s THR 440 Ca -0.10 -1.10 -0.14 0.00 -1.21 0.00 0.00 61.69 59.13 2qa2 s THR 440 Cb -0.14 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2qa2 s THR 440 CO 0.03 0.30 0.54 0.00 -2.21 0.00 0.00 174.62 173.29 2qa2 s ALA 441 N 1.27 -0.44 0.35 11.08 0.00 -0.69 -4.70 121.76 128.63 2qa2 s ALA 441 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.28 2qa2 s ALA 441 Cb -0.16 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2qa2 s ALA 441 CO -0.08 -0.90 0.10 -1.54 0.00 0.00 0.00 175.76 173.34 2qa2 s SER 442 N -3.01 4.47 0.34 0.00 1.04 -1.11 -4.07 113.70 111.36 2qa2 s SER 442 Ca 0.20 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.50 2qa2 s SER 442 Cb -0.02 -0.63 -0.10 0.00 0.10 0.00 0.00 66.02 65.37 2qa2 s SER 442 CO 0.09 -0.30 0.92 -0.76 0.98 0.00 0.00 173.24 174.17 2qa2 s LEU 443 N -3.80 4.24 0.00 2.42 1.43 -1.26 0.19 118.68 121.90 2qa2 s LEU 443 Ca 0.37 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2qa2 s LEU 443 Cb -0.01 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2qa2 s LEU 443 CO 0.21 -0.13 0.00 1.57 0.23 0.00 0.00 176.35 178.24 2qa2 n HIS 444 N 0.28 0.00 -2.74 0.29 -0.00 -0.71 -4.73 115.22 107.61 2qa2 n HIS 444 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.35 2qa2 n HIS 444 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.51 2qa2 n HIS 444 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qa2 n ASP 445 N 0.00 6.87 -4.80 0.26 10.43 -1.26 -5.02 116.55 123.03 2qa2 n ASP 445 Ca 0.00 -3.64 -0.34 0.00 2.57 0.00 0.00 54.79 53.38 2qa2 n ASP 445 Cb 0.00 -1.12 -0.05 0.00 1.84 0.00 0.00 41.12 41.79 2qa2 n ASP 445 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qa2 s ALA 446 N -3.98 3.01 -0.43 2.24 0.00 -1.26 -4.94 121.76 116.39 2qa2 s ALA 446 Ca 0.39 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2qa2 s ALA 446 Cb 0.18 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2qa2 s ALA 446 CO -0.09 -0.04 0.94 -1.25 0.00 0.00 0.00 175.76 175.31 2qa2 s PRO 447 N -3.00 3.64 0.61 0.00 0.04 -1.26 -4.86 135.00 130.17 2qa2 s PRO 447 Ca 0.62 0.32 0.19 0.00 0.04 0.00 0.00 61.00 62.17 2qa2 s PRO 447 Cb -0.14 -3.89 1.02 0.00 0.04 0.00 0.00 34.50 31.54 2qa2 s PRO 447 CO 0.18 -1.15 1.55 -1.35 0.04 0.00 0.00 177.00 176.28 2qa2 h PRO 448 N 8.90 0.00 -2.26 0.56 0.11 -2.02 0.66 132.00 137.94 2qa2 h PRO 448 Ca -0.24 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.29 2qa2 h PRO 448 Cb 1.08 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.77 2qa2 h PRO 448 CO 1.02 0.00 -0.68 1.04 -0.21 0.00 0.00 178.00 179.17 2qa2 n GLN 449 N -2.64 3.02 -1.13 1.05 6.02 -1.26 -4.88 117.38 117.56 2qa2 n GLN 449 Ca -0.01 -4.74 0.00 0.00 -0.01 0.00 0.00 57.00 52.23 2qa2 n GLN 449 Cb 0.55 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.61 2qa2 n GLN 449 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qa2 n GLY 450 N -0.12 2.41 0.17 1.08 0.00 0.23 -4.99 105.19 103.97 2qa2 n GLY 450 Ca 0.30 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 44.32 2qa2 n GLY 450 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qa2 h PRO 451 N 0.00 0.00 -0.02 1.61 0.11 -1.98 -2.85 132.00 128.88 2qa2 h PRO 451 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qa2 h PRO 451 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qa2 h PRO 451 CO 0.00 0.00 -0.44 1.28 -0.21 0.00 0.00 178.00 178.63 2qa2 n LEU 452 N -2.52 2.01 -4.67 2.35 4.77 -1.26 -4.90 117.00 112.77 2qa2 n LEU 452 Ca 0.02 -0.77 -0.45 0.00 -0.03 0.00 0.00 56.01 54.79 2qa2 n LEU 452 Cb 0.30 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2qa2 n LEU 452 CO 0.24 0.37 1.02 -1.20 -1.33 0.00 0.00 177.39 176.50 2qa2 n SER 453 N 0.01 2.80 -2.54 -1.43 7.64 -1.08 -2.06 113.62 116.96 2qa2 n SER 453 Ca 0.09 1.14 -0.21 0.00 1.01 0.00 0.00 58.87 60.90 2qa2 n SER 453 Cb 0.46 -1.43 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 2qa2 n SER 453 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2qa2 n ASP 454 N 2.13 -5.89 -4.26 6.43 8.00 -1.26 -4.99 116.55 116.71 2qa2 n ASP 454 Ca 0.11 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2qa2 n ASP 454 Cb 0.32 -4.84 -0.14 0.00 -0.02 0.00 0.00 41.12 36.44 2qa2 n ASP 454 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa2 s ALA 455 N -3.07 2.76 0.01 2.24 0.00 -0.88 -4.35 121.76 118.48 2qa2 s ALA 455 Ca 0.11 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 2qa2 s ALA 455 Cb -0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 23.12 21.16 2qa2 s ALA 455 CO 0.13 -0.61 1.14 0.00 0.00 0.00 0.00 175.76 176.41 2qa2 h ARG 456 N 8.07 0.43 -3.00 0.00 2.47 -1.33 -3.43 114.38 117.59 2qa2 h ARG 456 Ca -0.38 -0.41 -0.09 0.00 -1.26 0.00 0.00 59.98 57.84 2qa2 h ARG 456 Cb 1.14 0.11 -0.18 0.00 -1.65 0.00 0.00 29.97 29.38 2qa2 h ARG 456 CO 0.60 1.07 -0.17 0.00 0.56 0.00 0.00 179.97 182.03 2qa2 s ALA 457 N -3.36 -0.93 -0.04 0.04 0.00 -1.21 -1.17 121.76 115.09 2qa2 s ALA 457 Ca -0.13 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 2qa2 s ALA 457 Cb 0.04 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.40 2qa2 s ALA 457 CO 0.82 -0.38 0.09 0.08 0.00 0.00 0.00 175.76 176.38 2qa2 s VAL 458 N -2.01 -0.02 -0.30 0.00 1.01 -1.10 -1.28 120.40 116.71 2qa2 s VAL 458 Ca -0.08 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 2qa2 s VAL 458 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 2qa2 s VAL 458 CO 0.01 0.02 0.16 -0.22 0.00 0.00 0.00 175.10 175.07 2qa2 s LEU 459 N 0.39 4.07 -0.24 3.92 0.20 0.11 -1.40 118.68 125.72 2qa2 s LEU 459 Ca -0.03 -0.39 -0.05 0.00 0.69 0.00 0.00 54.13 54.34 2qa2 s LEU 459 Cb -0.04 -2.03 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2qa2 s LEU 459 CO -0.01 -0.16 0.01 -0.69 -0.29 0.00 0.00 176.35 175.21 2qa2 s VAL 460 N 1.65 3.76 1.00 1.68 1.01 0.26 0.25 120.40 130.01 2qa2 s VAL 460 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2qa2 s VAL 460 Cb -0.17 -2.76 0.19 0.00 0.00 0.00 0.00 36.38 33.65 2qa2 s VAL 460 CO 0.07 0.35 1.10 -0.13 0.00 0.00 0.00 175.10 176.49 2qa2 s ARG 461 N 1.53 0.35 0.54 2.72 0.52 0.42 -1.34 118.95 123.68 2qa2 s ARG 461 Ca 0.05 1.23 0.24 0.00 -0.52 0.00 0.00 55.73 56.73 2qa2 s ARG 461 Cb -0.15 -1.67 1.42 0.00 0.52 0.00 0.00 34.95 35.07 2qa2 s ARG 461 CO -0.00 -2.98 2.04 -1.35 0.02 0.00 0.00 175.30 173.03 2qa2 h PRO 462 N -2.11 0.00 -0.01 3.54 0.11 -1.84 0.57 132.00 132.26 2qa2 h PRO 462 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qa2 h PRO 462 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qa2 h PRO 462 CO 0.46 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 2qa2 n ASP 463 N -4.27 0.17 0.00 -2.05 5.68 -1.26 -4.80 116.55 110.02 2qa2 n ASP 463 Ca 0.06 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 2qa2 n ASP 463 Cb 0.46 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 2qa2 n ASP 463 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qa2 n GLY 464 N 0.89 0.56 3.86 6.12 0.00 0.19 -4.98 105.19 111.83 2qa2 n GLY 464 Ca 0.17 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2qa2 n GLY 464 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qa2 s TYR 465 N -2.00 3.39 -0.10 1.61 1.51 -1.26 -0.41 117.35 120.09 2qa2 s TYR 465 Ca 0.00 1.09 -0.25 0.00 -1.01 0.00 0.00 57.07 56.90 2qa2 s TYR 465 Cb 0.00 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 2qa2 s TYR 465 CO 0.00 0.14 0.79 0.08 -1.11 0.00 0.00 175.55 175.46 2qa2 s VAL 466 N -1.95 4.96 -0.17 0.71 1.01 0.15 -0.44 120.40 124.68 2qa2 s VAL 466 Ca 0.52 1.61 0.17 0.00 0.00 0.00 0.00 61.98 64.28 2qa2 s VAL 466 Cb -0.11 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 2qa2 s VAL 466 CO 0.19 0.15 0.12 0.00 0.00 0.00 0.00 175.10 175.56 2qa2 n ALA 467 N 4.37 1.70 -3.46 5.51 0.00 0.14 -1.47 120.51 127.29 2qa2 n ALA 467 Ca 0.02 -1.15 -0.14 0.00 0.00 0.00 0.00 53.44 52.17 2qa2 n ALA 467 Cb 0.50 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 2qa2 n ALA 467 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2qa2 s TRP 468 N -2.60 -0.61 -0.03 0.00 -0.00 -1.17 -4.80 118.94 109.73 2qa2 s TRP 468 Ca -0.09 1.49 -0.01 0.00 -0.00 0.00 0.00 56.10 57.49 2qa2 s TRP 468 Cb 0.07 0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.77 2qa2 s TRP 468 CO 0.79 -0.30 0.06 -1.50 -0.00 0.00 0.00 176.95 175.99 2qa2 s ILE 469 N 0.25 -0.04 -0.29 5.86 1.10 -1.26 0.06 121.20 126.88 2qa2 s ILE 469 Ca -0.00 0.15 -0.07 0.00 -0.51 0.00 0.00 60.65 60.21 2qa2 s ILE 469 Cb -0.04 -0.11 -0.00 0.00 0.15 0.00 0.00 42.46 42.46 2qa2 s ILE 469 CO 0.01 0.06 0.09 -0.94 -2.11 0.00 0.00 174.94 172.05 2qa2 s SER 470 N 0.81 5.19 0.56 4.50 1.04 -0.40 -3.23 113.70 122.16 2qa2 s SER 470 Ca -0.07 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 55.87 2qa2 s SER 470 Cb -0.09 -1.91 0.07 0.00 0.10 0.00 0.00 66.02 64.19 2qa2 s SER 470 CO -0.03 -0.16 0.77 -2.16 0.98 0.00 0.00 173.24 172.65 2qa2 s PRO 471 N 1.55 2.34 0.00 4.02 0.04 -1.26 -0.87 135.00 140.82 2qa2 s PRO 471 Ca 0.04 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 59.66 2qa2 s PRO 471 Cb -0.17 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2qa2 s PRO 471 CO 0.03 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2qa2 n GLY 472 N -2.25 0.82 3.20 0.56 0.00 -1.20 -4.84 105.19 101.49 2qa2 n GLY 472 Ca 0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qa2 n GLY 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qa2 s SER 473 N -1.91 2.60 0.24 1.61 0.01 -1.23 -3.73 113.70 111.29 2qa2 s SER 473 Ca 0.00 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 2qa2 s SER 473 Cb 0.00 -0.66 0.44 0.00 0.21 0.00 0.00 66.02 66.00 2qa2 s SER 473 CO 0.00 0.21 1.67 0.03 0.41 0.00 0.00 173.24 175.56 2qa2 h ARG 474 N 6.09 0.22 -6.26 12.44 2.47 -1.91 -3.43 114.38 124.00 2qa2 h ARG 474 Ca -0.33 -0.01 -0.55 0.00 -1.26 0.00 0.00 59.98 57.82 2qa2 h ARG 474 Cb 1.17 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.42 2qa2 h ARG 474 CO 0.47 0.14 -0.28 0.00 0.56 0.00 0.00 179.97 180.87 2qa2 s ALA 475 N -6.07 3.76 0.83 0.04 0.00 -1.26 -5.10 121.76 113.97 2qa2 s ALA 475 Ca -0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 2qa2 s ALA 475 Cb 0.21 -2.14 0.09 0.00 0.00 0.00 0.00 23.12 21.28 2qa2 s ALA 475 CO 0.75 0.52 1.15 0.20 0.00 0.00 0.00 175.76 178.38 2qa2 s GLY 476 N -2.77 1.59 0.32 0.00 0.00 -1.26 -4.92 107.32 100.28 2qa2 s GLY 476 Ca 0.41 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.61 2qa2 s GLY 476 CO 0.27 -0.04 1.96 -2.00 0.00 0.00 0.00 173.10 173.29 2qa2 h LEU 477 N -1.15 0.86 0.08 0.66 5.85 -1.98 -2.67 115.31 116.96 2qa2 h LEU 477 Ca -0.47 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.26 2qa2 h LEU 477 Cb 1.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2qa2 h LEU 477 CO 0.64 0.60 -0.32 0.74 -0.34 0.00 0.00 178.44 179.76 2qa2 h THR 478 N 1.00 0.32 -0.96 1.05 2.02 -1.93 0.93 112.91 115.33 2qa2 h THR 478 Ca 0.31 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.59 2qa2 h THR 478 Cb 0.01 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 2qa2 h THR 478 CO -0.09 0.00 0.61 -0.33 0.37 0.00 0.00 175.52 176.09 2qa2 h GLU 479 N -0.52 0.95 -0.11 6.66 5.08 -1.88 -2.33 114.58 122.43 2qa2 h GLU 479 Ca 0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2qa2 h GLU 479 Cb 0.57 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2qa2 h GLU 479 CO -0.21 0.63 -0.15 0.00 -1.00 0.00 0.00 179.01 178.28 2qa2 h ALA 480 N 1.53 0.17 -0.43 3.43 0.00 -1.01 -2.14 119.26 120.80 2qa2 h ALA 480 Ca 0.45 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2qa2 h ALA 480 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2qa2 h ALA 480 CO -0.21 0.05 0.06 -0.07 0.00 0.00 0.00 179.25 179.08 2qa2 h LEU 481 N -0.13 0.70 -1.28 0.00 3.38 -0.65 -2.46 115.31 114.87 2qa2 h LEU 481 Ca 0.01 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2qa2 h LEU 481 Cb 0.70 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2qa2 h LEU 481 CO 0.03 0.80 0.51 -0.78 0.09 0.00 0.00 178.44 179.10 2qa2 h ASP 482 N 0.58 0.78 -0.84 -0.43 1.82 -1.46 0.22 116.42 117.09 2qa2 h ASP 482 Ca 0.13 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2qa2 h ASP 482 Cb 0.40 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 2qa2 h ASP 482 CO 0.01 0.51 0.41 -0.09 -1.61 0.00 0.00 179.24 178.48 2qa2 h ARG 483 N 0.89 1.20 0.00 0.28 2.43 -0.91 -3.00 114.38 115.27 2qa2 h ARG 483 Ca 0.33 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2qa2 h ARG 483 Cb 0.17 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2qa2 h ARG 483 CO -0.11 0.92 -1.53 0.91 -1.51 0.00 0.00 179.97 178.65 2qa2 n TRP 484 N -4.33 0.00 0.01 2.20 7.02 -1.00 -4.71 117.44 116.62 2qa2 n TRP 484 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2qa2 n TRP 484 Cb 0.13 -0.30 -0.00 0.00 -2.42 0.00 0.00 31.31 28.72 2qa2 n TRP 484 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2qa2 n PHE 485 N -1.97 0.00 0.00 -5.99 3.01 0.75 -5.04 117.46 108.22 2qa2 n PHE 485 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 2qa2 n PHE 485 Cb 0.39 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 2qa2 n PHE 485 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qa2 n GLY 486 N 2.10 -0.75 3.70 1.37 0.00 -1.13 -4.46 105.19 106.02 2qa2 n GLY 486 Ca -0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 2qa2 n GLY 486 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qa2 s PRO 487 N -0.41 1.61 0.42 1.61 0.02 -1.26 -3.79 135.00 133.20 2qa2 s PRO 487 Ca 0.00 1.59 -0.26 0.00 0.02 0.00 0.00 61.00 62.35 2qa2 s PRO 487 Cb 0.00 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.64 2qa2 s PRO 487 CO 0.00 -2.20 1.38 0.00 -0.33 0.00 0.00 177.00 175.85 2qa2 s ALA 488 N -2.42 3.28 -2.00 -1.55 0.00 -1.26 -4.97 121.76 112.84 2qa2 s ALA 488 Ca 0.69 1.38 0.29 0.00 0.00 0.00 0.00 51.96 54.33 2qa2 s ALA 488 Cb -0.25 -3.55 1.76 0.00 0.00 0.00 0.00 23.12 21.08 2qa2 s ALA 488 CO 0.53 -1.03 2.09 -2.13 0.00 0.00 0.00 175.76 175.22