#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa3 n PHE 2 N 0.00 0.00 0.28 1.12 3.72 -1.26 -4.63 117.46 116.70 2qa3 n PHE 2 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 2qa3 n PHE 2 Cb 0.00 0.00 0.88 0.00 -0.94 0.00 0.00 39.48 39.42 2qa3 n PHE 2 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2qa3 h GLU 3 N 0.68 0.00 -0.37 -1.08 9.09 -2.12 -2.74 114.58 118.05 2qa3 h GLU 3 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2qa3 h GLU 3 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 2qa3 h GLU 3 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 2qa3 n ASN 4 N -3.90 2.98 -4.74 3.06 3.02 -1.26 -5.00 115.26 109.42 2qa3 n ASN 4 Ca -0.02 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 2qa3 n ASN 4 Cb 0.11 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 2qa3 n ASN 4 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qa3 s ILE 5 N -1.01 2.88 0.07 2.41 1.01 -1.04 -4.98 121.20 120.54 2qa3 s ILE 5 Ca 0.26 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.41 2qa3 s ILE 5 Cb 0.14 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 2qa3 s ILE 5 CO 0.18 0.10 0.63 0.42 0.00 0.00 0.00 174.94 176.27 2qa3 s THR 6 N 0.17 4.70 0.46 2.92 -4.23 -1.26 -5.03 115.64 113.38 2qa3 s THR 6 Ca 0.59 1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 62.21 2qa3 s THR 6 Cb -0.40 -3.97 -0.08 0.00 1.34 0.00 0.00 72.50 69.39 2qa3 s THR 6 CO 0.40 0.50 1.38 0.00 -0.54 0.00 0.00 174.62 176.36 2qa3 n ALA 7 N 2.00 1.78 -1.67 3.99 0.00 -1.26 -4.96 120.51 120.39 2qa3 n ALA 7 Ca -0.08 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2qa3 n ALA 7 Cb 0.50 -2.36 0.07 0.00 0.00 0.00 0.00 19.45 17.67 2qa3 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qa3 s ALA 8 N -1.21 2.35 0.20 0.00 0.00 -1.26 -4.90 121.76 116.93 2qa3 s ALA 8 Ca 0.63 1.15 -0.33 0.00 0.00 0.00 0.00 51.96 53.41 2qa3 s ALA 8 Cb -0.46 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.00 2qa3 s ALA 8 CO 0.56 -1.61 1.55 -2.30 0.00 0.00 0.00 175.76 173.97 2qa3 n PRO 9 N -2.00 2.24 0.00 0.00 -0.02 -1.26 -5.33 135.00 128.62 2qa3 n PRO 9 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2qa3 n PRO 9 Cb 0.49 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2qa3 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa3 n ALA 10 N 3.00 0.00 0.00 3.55 0.00 -1.26 -5.33 120.51 120.47 2qa3 n ALA 10 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2qa3 n ALA 10 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2qa3 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qa3 n ALA 17 N -3.00 0.00 -0.23 0.00 0.00 -1.26 -5.31 120.51 110.71 2qa3 n ALA 17 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2qa3 n ALA 17 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2qa3 n ALA 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qa3 h ASP 18 N 0.00 0.97 -0.43 0.00 3.32 -2.03 -0.52 116.42 117.73 2qa3 h ASP 18 Ca 0.00 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 2qa3 h ASP 18 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2qa3 h ASP 18 CO 0.00 0.95 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.24 2qa3 h LEU 19 N 0.96 0.92 -0.12 1.55 3.38 -1.98 -1.46 115.31 118.56 2qa3 h LEU 19 Ca 0.21 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qa3 h LEU 19 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2qa3 h LEU 19 CO -0.00 1.07 0.04 0.15 0.09 0.00 0.00 178.44 179.79 2qa3 h PHE 20 N 0.81 0.08 -0.13 1.13 3.57 -1.72 -2.39 116.94 118.29 2qa3 h PHE 20 Ca 0.12 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2qa3 h PHE 20 Cb 0.70 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2qa3 h PHE 20 CO 0.04 0.04 0.02 0.00 -2.23 0.00 0.00 178.31 176.18 2qa3 h ARG 21 N 0.10 0.07 0.00 1.11 3.08 -0.98 -0.68 114.38 117.08 2qa3 h ARG 21 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qa3 h ARG 21 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2qa3 h ARG 21 CO -0.05 0.05 0.04 0.00 -1.07 0.00 0.00 179.97 178.93 2qa3 n ALA 22 N -2.21 0.96 -0.13 0.04 0.00 -0.56 -5.11 120.51 113.50 2qa3 n ALA 22 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qa3 n ALA 22 Cb 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2qa3 n ALA 22 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qa3 n ASP 23 N -1.42 -0.78 -4.52 0.00 5.75 -0.27 -5.08 116.55 110.23 2qa3 n ASP 23 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 54.79 54.25 2qa3 n ASP 23 Cb 0.04 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 2qa3 n ASP 23 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2qa3 n ILE 29 N 1.76 0.56 -3.42 2.12 5.41 0.18 -4.58 119.36 121.40 2qa3 n ILE 29 Ca 0.00 -0.14 -0.44 0.00 1.00 0.00 0.00 62.75 63.17 2qa3 n ILE 29 Cb 0.00 -0.36 -0.07 0.00 -0.71 0.00 0.00 39.64 38.50 2qa3 n ILE 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2qa3 s ASN 30 N -0.08 6.02 -0.16 4.38 3.84 -1.26 -0.77 114.94 126.91 2qa3 s ASN 30 Ca 0.81 -1.58 0.17 0.00 0.21 0.00 0.00 52.86 52.47 2qa3 s ASN 30 Cb -1.05 -2.14 0.74 0.00 -0.55 0.00 0.00 41.25 38.26 2qa3 s ASN 30 CO 0.54 -0.70 1.66 0.18 -2.79 0.00 0.00 177.10 175.99 2qa3 n LEU 31 N 5.13 5.05 -0.13 3.21 4.77 0.13 -4.68 117.00 130.48 2qa3 n LEU 31 Ca -0.12 -2.64 0.14 0.00 -0.03 0.00 0.00 56.01 53.36 2qa3 n LEU 31 Cb 0.42 -0.61 0.54 0.00 -2.33 0.00 0.00 43.42 41.44 2qa3 n LEU 31 CO 0.47 0.74 0.81 0.61 -1.33 0.00 0.00 177.39 178.69 2qa3 n GLY 32 N 0.86 -0.90 3.13 -0.72 0.00 -1.08 -0.67 105.19 105.79 2qa3 n GLY 32 Ca 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2qa3 n GLY 32 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qa3 s ILE 33 N -2.52 0.17 -0.17 -0.61 2.07 -1.26 -4.66 121.20 114.21 2qa3 s ILE 33 Ca 0.26 -1.40 -0.04 0.00 -1.41 0.00 0.00 60.65 58.06 2qa3 s ILE 33 Cb 0.20 -1.25 -0.09 0.00 0.13 0.00 0.00 42.46 41.45 2qa3 s ILE 33 CO 0.50 -0.77 3.03 0.61 -1.91 0.00 0.00 174.94 176.40 2qa3 n GLY 34 N 0.30 3.46 3.40 1.50 0.00 -1.26 -4.73 105.19 107.86 2qa3 n GLY 34 Ca -0.16 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2qa3 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa3 s VAL 35 N -0.42 3.16 0.31 1.61 1.01 -1.26 -5.09 120.40 119.73 2qa3 s VAL 35 Ca 0.54 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2qa3 s VAL 35 Cb 0.30 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 2qa3 s VAL 35 CO -0.07 0.53 1.21 -0.47 0.00 0.00 0.00 175.10 176.30 2qa3 s TYR 36 N 0.27 3.28 0.04 5.22 6.14 -1.26 -4.74 117.35 126.30 2qa3 s TYR 36 Ca -0.09 1.54 0.07 0.00 0.64 0.00 0.00 57.07 59.24 2qa3 s TYR 36 Cb -0.15 -3.50 -0.02 0.00 0.42 0.00 0.00 41.96 38.70 2qa3 s TYR 36 CO 0.05 -1.27 -0.20 0.15 0.64 0.00 0.00 175.55 174.92 2qa3 s LYS 37 N -1.67 1.34 0.18 4.97 1.02 -1.25 -4.46 119.74 119.88 2qa3 s LYS 37 Ca 0.47 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 2qa3 s LYS 37 Cb -0.36 -1.44 0.04 0.00 -0.52 0.00 0.00 37.83 35.55 2qa3 s LYS 37 CO 0.47 0.37 0.24 -0.40 -0.92 0.00 0.00 175.35 175.11 2qa3 n ASP 38 N 1.85 0.05 0.28 2.83 5.68 0.44 -4.80 116.55 122.87 2qa3 n ASP 38 Ca -0.17 -1.11 0.19 0.00 -0.50 0.00 0.00 54.79 53.20 2qa3 n ASP 38 Cb 0.53 -0.18 0.89 0.00 -1.14 0.00 0.00 41.12 41.22 2qa3 n ASP 38 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2qa3 h GLU 39 N 0.00 0.00 -0.07 0.11 4.81 -1.92 -1.81 114.58 115.70 2qa3 h GLU 39 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2qa3 h GLU 39 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2qa3 h GLU 39 CO 0.06 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.59 2qa3 n THR 40 N -2.94 0.07 -0.77 0.32 -2.24 -1.26 -4.80 114.28 102.66 2qa3 n THR 40 Ca -0.01 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2qa3 n THR 40 Cb 0.18 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2qa3 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa3 n GLY 41 N 1.29 0.55 3.72 3.38 0.00 -0.68 -5.06 105.19 108.39 2qa3 n GLY 41 Ca 0.16 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 2qa3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa3 s LYS 42 N -1.17 2.50 -0.55 1.61 1.02 -1.26 -4.82 119.74 117.07 2qa3 s LYS 42 Ca 0.00 -1.35 0.04 0.00 0.02 0.00 0.00 55.97 54.68 2qa3 s LYS 42 Cb 0.00 -2.28 0.14 0.00 -0.52 0.00 0.00 37.83 35.16 2qa3 s LYS 42 CO 0.00 0.31 0.29 0.99 -0.92 0.00 0.00 175.35 176.02 2qa3 s THR 43 N -2.30 2.68 0.76 2.17 2.01 -1.26 -0.42 115.64 119.28 2qa3 s THR 43 Ca 0.34 -3.41 -0.11 0.00 0.31 0.00 0.00 61.69 58.81 2qa3 s THR 43 Cb -0.06 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.65 2qa3 s THR 43 CO 0.22 -0.83 1.09 -2.16 -0.69 0.00 0.00 174.62 172.25 2qa3 s PRO 44 N -0.41 2.39 0.13 4.92 0.04 -1.26 -4.99 135.00 135.81 2qa3 s PRO 44 Ca 0.18 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2qa3 s PRO 44 Cb -0.24 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2qa3 s PRO 44 CO -0.02 -1.43 1.08 0.08 0.04 0.00 0.00 177.00 176.75 2qa3 s VAL 45 N -3.13 4.12 0.52 -0.36 1.01 -1.26 -4.95 120.40 116.34 2qa3 s VAL 45 Ca 0.60 1.72 -0.23 0.00 0.00 0.00 0.00 61.98 64.07 2qa3 s VAL 45 Cb -0.14 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2qa3 s VAL 45 CO 0.54 0.25 1.37 -0.76 0.00 0.00 0.00 175.10 176.50 2qa3 s LEU 46 N 0.08 3.91 0.18 3.92 1.02 -1.26 -4.85 118.68 121.68 2qa3 s LEU 46 Ca 0.51 2.80 -0.12 0.00 0.02 0.00 0.00 54.13 57.34 2qa3 s LEU 46 Cb -0.27 -4.20 0.08 0.00 0.02 0.00 0.00 46.19 41.82 2qa3 s LEU 46 CO 0.32 -1.48 1.75 0.74 0.02 0.00 0.00 176.35 177.70 2qa3 h THR 47 N 1.64 1.22 -0.99 5.49 2.02 -1.97 -0.65 112.91 119.67 2qa3 h THR 47 Ca -0.51 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.10 2qa3 h THR 47 Cb 1.29 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2qa3 h THR 47 CO 0.58 0.26 0.63 0.77 0.37 0.00 0.00 175.52 178.14 2qa3 h SER 48 N 0.84 0.96 -0.16 4.18 4.64 -1.91 -0.08 113.55 122.02 2qa3 h SER 48 Ca 0.21 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2qa3 h SER 48 Cb 0.16 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2qa3 h SER 48 CO -0.02 0.56 0.01 0.58 -0.87 0.00 0.00 176.83 177.09 2qa3 h VAL 49 N 1.05 1.24 -0.76 0.95 2.07 -1.76 -1.05 116.25 118.00 2qa3 h VAL 49 Ca 0.46 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2qa3 h VAL 49 Cb 0.35 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2qa3 h VAL 49 CO -0.22 0.24 0.45 0.11 0.02 0.00 0.00 177.57 178.17 2qa3 h LYS 50 N 0.03 0.80 -0.65 1.57 1.79 -0.53 0.20 116.57 119.79 2qa3 h LYS 50 Ca 0.05 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2qa3 h LYS 50 Cb 0.35 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 2qa3 h LYS 50 CO 0.01 0.53 0.33 0.87 -1.08 0.00 0.00 179.45 180.10 2qa3 h LYS 51 N 0.83 0.92 -0.48 3.15 1.57 -0.86 -0.52 116.57 121.18 2qa3 h LYS 51 Ca 0.33 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2qa3 h LYS 51 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2qa3 h LYS 51 CO -0.17 0.72 0.07 0.00 -0.57 0.00 0.00 179.45 179.49 2qa3 h ALA 52 N 1.15 0.64 -0.50 3.86 0.00 -0.57 -1.77 119.26 122.08 2qa3 h ALA 52 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qa3 h ALA 52 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2qa3 h ALA 52 CO -0.03 0.39 0.20 0.93 0.00 0.00 0.00 179.25 180.73 2qa3 h GLU 53 N 0.68 0.71 -0.14 0.00 5.08 -0.27 0.23 114.58 120.87 2qa3 h GLU 53 Ca 0.15 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2qa3 h GLU 53 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2qa3 h GLU 53 CO 0.01 0.59 0.08 0.37 -1.00 0.00 0.00 179.01 179.06 2qa3 h GLN 54 N 0.71 0.20 -0.33 2.33 5.75 -0.72 -0.26 115.11 122.78 2qa3 h GLN 54 Ca 0.17 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 2qa3 h GLN 54 Cb 0.14 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 2qa3 h GLN 54 CO -0.02 0.19 0.12 -0.92 -2.65 0.00 0.00 178.83 175.55 2qa3 h TYR 55 N 0.15 0.22 -0.80 3.99 5.03 -0.66 -1.39 116.97 123.51 2qa3 h TYR 55 Ca 0.05 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2qa3 h TYR 55 Cb 0.04 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 2qa3 h TYR 55 CO -0.05 0.10 0.51 -0.07 -1.32 0.00 0.00 178.16 177.32 2qa3 h LEU 56 N 0.27 0.94 -0.94 2.82 3.38 -0.77 -0.54 115.31 120.46 2qa3 h LEU 56 Ca 0.15 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qa3 h LEU 56 Cb 0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2qa3 h LEU 56 CO -0.14 0.70 0.62 0.25 0.09 0.00 0.00 178.44 179.95 2qa3 h LEU 57 N 1.09 1.09 -0.64 1.67 5.85 -0.63 -0.65 115.31 123.09 2qa3 h LEU 57 Ca 0.29 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.84 2qa3 h LEU 57 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 2qa3 h LEU 57 CO -0.06 0.79 -0.64 -0.33 -0.34 0.00 0.00 178.44 177.86 2qa3 h GLU 58 N 1.28 0.00 0.00 1.25 5.08 -0.72 -3.38 114.58 118.09 2qa3 h GLU 58 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2qa3 h GLU 58 Cb -0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2qa3 h GLU 58 CO -0.07 0.64 -1.29 0.09 -1.00 0.00 0.00 179.01 177.38 2qa3 n ASN 59 N -3.68 3.63 -4.73 1.42 4.13 -0.26 -4.99 115.26 110.77 2qa3 n ASN 59 Ca -0.01 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2qa3 n ASN 59 Cb 0.66 1.20 -0.03 0.00 -1.54 0.00 0.00 39.78 40.07 2qa3 n ASN 59 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2qa3 s GLU 60 N -2.39 4.24 0.00 3.52 2.12 -0.27 -4.90 118.70 121.03 2qa3 s GLU 60 Ca -0.02 2.33 0.02 0.00 0.36 0.00 0.00 54.97 57.65 2qa3 s GLU 60 Cb 0.04 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.32 2qa3 s GLU 60 CO 0.25 -0.50 0.59 0.25 -0.54 0.00 0.00 175.26 175.31 2qa3 n THR 61 N 3.03 0.06 -3.49 -1.70 -2.24 -1.26 -5.00 114.28 103.67 2qa3 n THR 61 Ca 0.10 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 2qa3 n THR 61 Cb 0.40 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 2qa3 n THR 61 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qa3 s THR 62 N -0.22 0.01 -0.19 4.28 -1.32 -1.26 -5.01 115.64 111.93 2qa3 s THR 62 Ca 0.03 -0.08 0.16 0.00 -1.21 0.00 0.00 61.69 60.59 2qa3 s THR 62 Cb 0.02 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.57 2qa3 s THR 62 CO 0.03 -0.04 1.47 0.29 -2.21 0.00 0.00 174.62 174.15 2qa3 n LYS 63 N 0.15 3.14 -1.54 7.08 4.76 -1.26 -5.06 118.16 125.43 2qa3 n LYS 63 Ca -0.18 -2.89 -0.46 0.00 -2.87 0.00 0.00 58.31 51.91 2qa3 n LYS 63 Cb 0.62 -1.90 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2qa3 n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qa3 n ASN 64 N -0.39 0.61 -4.54 4.39 3.02 -1.26 -4.81 115.26 112.29 2qa3 n ASN 64 Ca 0.22 1.16 -0.48 0.00 -0.03 0.00 0.00 54.58 55.46 2qa3 n ASN 64 Cb 0.94 -1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2qa3 n ASN 64 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qa3 n TYR 65 N 0.33 0.83 -1.45 3.10 4.01 -1.26 -4.98 117.16 117.74 2qa3 n TYR 65 Ca 0.13 0.78 -0.31 0.00 -0.16 0.00 0.00 57.90 58.34 2qa3 n TYR 65 Cb 0.29 -2.18 0.08 0.00 -0.31 0.00 0.00 39.34 37.21 2qa3 n TYR 65 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2qa3 s LEU 66 N 1.09 2.91 1.04 7.72 1.43 -1.26 -5.05 118.68 126.56 2qa3 s LEU 66 Ca 0.67 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 2qa3 s LEU 66 Cb -0.85 -4.33 0.18 0.00 0.03 0.00 0.00 46.19 41.22 2qa3 s LEU 66 CO 0.56 -1.82 0.85 0.61 0.23 0.00 0.00 176.35 176.78 2qa3 n GLY 67 N -1.73 -1.47 0.36 -3.19 0.00 -1.26 -4.82 105.19 93.07 2qa3 n GLY 67 Ca 0.08 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.26 2qa3 n GLY 67 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qa3 h ILE 68 N -2.16 1.02 -0.06 -0.61 2.04 -1.97 0.57 117.51 116.34 2qa3 h ILE 68 Ca -0.51 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2qa3 h ILE 68 Cb 1.31 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2qa3 h ILE 68 CO 0.42 0.17 0.00 -0.90 0.00 0.00 0.00 178.15 177.84 2qa3 n ASP 69 N -4.50 1.14 0.00 1.72 5.75 -1.26 -4.35 116.55 115.05 2qa3 n ASP 69 Ca 0.14 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 2qa3 n ASP 69 Cb 0.24 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2qa3 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qa3 n GLY 70 N 1.09 -0.92 3.66 6.12 0.00 0.19 -0.69 105.19 114.64 2qa3 n GLY 70 Ca 0.18 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2qa3 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qa3 s ILE 71 N 0.00 4.38 0.20 -0.61 1.01 -1.26 -4.37 121.20 120.55 2qa3 s ILE 71 Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.21 2qa3 s ILE 71 Cb 0.00 -4.08 0.16 0.00 0.01 0.00 0.00 42.46 38.55 2qa3 s ILE 71 CO 0.00 -0.15 1.70 -0.65 0.00 0.00 0.00 174.94 175.84 2qa3 h PRO 72 N 8.02 0.21 -1.00 2.79 0.11 -1.98 -1.60 132.00 138.54 2qa3 h PRO 72 Ca -0.24 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.92 2qa3 h PRO 72 Cb 1.09 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 2qa3 h PRO 72 CO 0.97 0.14 0.65 1.49 -0.21 0.00 0.00 178.00 181.04 2qa3 h GLU 73 N 0.21 1.14 -0.59 1.05 4.57 -1.99 -0.72 114.58 118.25 2qa3 h GLU 73 Ca 0.30 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 2qa3 h GLU 73 Cb 0.45 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2qa3 h GLU 73 CO -0.41 0.75 0.35 0.35 -1.18 0.00 0.00 179.01 178.87 2qa3 h PHE 74 N 1.17 0.65 -0.28 0.92 3.57 -1.64 -0.43 116.94 120.90 2qa3 h PHE 74 Ca 0.43 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.95 2qa3 h PHE 74 Cb 0.18 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2qa3 h PHE 74 CO -0.00 0.36 0.16 0.78 -2.23 0.00 0.00 178.31 177.38 2qa3 h GLY 75 N 0.69 0.42 0.89 2.40 0.00 -0.70 -0.77 103.07 105.99 2qa3 h GLY 75 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2qa3 h GLY 75 CO -0.12 0.17 0.08 3.21 0.00 0.00 0.00 176.54 179.88 2qa3 h ARG 76 N 0.35 0.39 -0.80 4.80 3.08 -0.94 -1.27 114.38 119.98 2qa3 h ARG 76 Ca 0.10 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2qa3 h ARG 76 Cb 0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2qa3 h ARG 76 CO -0.02 0.46 0.38 0.00 -1.07 0.00 0.00 179.97 179.73 2qa3 h THR 78 N 1.14 1.05 -0.77 0.00 2.02 -0.90 -1.47 112.91 113.98 2qa3 h THR 78 Ca 0.28 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2qa3 h THR 78 Cb 0.12 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2qa3 h THR 78 CO -0.03 0.04 0.40 1.56 0.37 0.00 0.00 175.52 177.85 2qa3 h GLN 79 N 0.14 1.09 -0.67 6.66 4.20 -0.86 -0.58 115.11 125.08 2qa3 h GLN 79 Ca 0.04 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 2qa3 h GLN 79 Cb 0.01 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2qa3 h GLN 79 CO -0.01 0.82 0.24 0.93 -0.67 0.00 0.00 178.83 180.14 2qa3 h GLU 80 N 1.09 1.03 -0.69 1.46 5.08 -1.12 0.59 114.58 122.01 2qa3 h GLU 80 Ca 0.27 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qa3 h GLU 80 Cb 0.07 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2qa3 h GLU 80 CO -0.04 0.88 0.44 -0.07 -1.00 0.00 0.00 179.01 179.22 2qa3 h LEU 81 N 0.97 0.82 -0.04 1.33 3.38 -0.53 -0.23 115.31 121.01 2qa3 h LEU 81 Ca 0.22 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2qa3 h LEU 81 Cb 0.26 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qa3 h LEU 81 CO -0.01 0.62 -0.44 -0.07 0.09 0.00 0.00 178.44 178.62 2qa3 h LEU 82 N 0.94 0.45 0.00 1.67 3.38 -0.77 -3.39 115.31 117.60 2qa3 h LEU 82 Ca 0.25 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2qa3 h LEU 82 Cb -0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qa3 h LEU 82 CO -0.05 1.10 -1.48 0.49 0.09 0.00 0.00 178.44 178.59 2qa3 n PHE 83 N -4.33 0.00 0.00 1.13 3.72 0.17 -4.66 117.46 113.48 2qa3 n PHE 83 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2qa3 n PHE 83 Cb 0.58 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2qa3 n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qa3 n GLY 84 N 1.64 1.12 3.68 1.37 0.00 -0.10 -4.58 105.19 108.32 2qa3 n GLY 84 Ca -0.02 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 2qa3 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qa3 n LYS 85 N 1.40 2.11 -0.98 1.61 4.81 -1.25 -1.78 118.16 124.08 2qa3 n LYS 85 Ca 0.00 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2qa3 n LYS 85 Cb 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.62 2qa3 n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qa3 n GLY 86 N 2.18 0.68 3.65 3.14 0.00 -1.26 -5.00 105.19 108.58 2qa3 n GLY 86 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2qa3 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qa3 n SER 87 N -0.05 2.26 0.14 1.61 2.88 -0.73 -4.85 113.62 114.88 2qa3 n SER 87 Ca 0.00 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.78 2qa3 n SER 87 Cb 0.02 -1.38 0.57 0.00 -0.75 0.00 0.00 64.21 62.68 2qa3 n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qa3 h ALA 88 N 3.32 1.96 -0.58 -1.46 0.00 -1.92 -0.91 119.26 119.67 2qa3 h ALA 88 Ca -0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2qa3 h ALA 88 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2qa3 h ALA 88 CO 0.69 0.02 0.20 -0.07 0.00 0.00 0.00 179.25 180.09 2qa3 h LEU 89 N 0.19 0.79 0.01 0.00 4.07 -1.96 0.12 115.31 118.53 2qa3 h LEU 89 Ca 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2qa3 h LEU 89 Cb 0.10 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2qa3 h LEU 89 CO -0.01 0.73 -0.01 0.40 -1.08 0.00 0.00 178.44 178.47 2qa3 h ILE 90 N 0.84 1.54 -0.82 1.22 2.04 -1.75 -0.71 117.51 119.88 2qa3 h ILE 90 Ca 0.20 -1.81 0.14 0.00 1.00 0.00 0.00 64.86 64.39 2qa3 h ILE 90 Cb 0.21 2.73 -0.09 0.00 -0.74 0.00 0.00 36.82 38.93 2qa3 h ILE 90 CO -0.01 0.46 0.40 -1.13 0.00 0.00 0.00 178.15 177.86 2qa3 h ASN 91 N -0.81 0.47 -0.14 1.72 -1.24 -1.04 -0.26 115.58 114.28 2qa3 h ASN 91 Ca -0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2qa3 h ASN 91 Cb 0.76 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2qa3 h ASN 91 CO 0.00 0.20 0.00 0.47 -1.29 0.00 0.00 177.43 176.81 2qa3 n ASP 92 N -4.90 1.11 -3.86 1.15 8.00 0.41 -4.93 116.55 113.54 2qa3 n ASP 92 Ca 0.16 -1.71 -0.27 0.00 0.71 0.00 0.00 54.79 53.67 2qa3 n ASP 92 Cb 0.41 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 2qa3 n ASP 92 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qa3 n LYS 93 N -0.01 -5.18 0.00 -1.24 5.02 -0.11 -4.15 118.16 112.49 2qa3 n LYS 93 Ca 0.13 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.14 2qa3 n LYS 93 Cb 0.22 -5.34 0.34 0.00 -0.02 0.00 0.00 35.03 30.23 2qa3 n LYS 93 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qa3 n ARG 94 N -4.54 0.81 -5.07 1.97 1.74 -0.28 -3.73 116.66 107.56 2qa3 n ARG 94 Ca -0.08 -0.50 -0.28 0.00 -0.77 0.00 0.00 57.85 56.22 2qa3 n ARG 94 Cb 0.58 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 2qa3 n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa3 s ALA 95 N -2.53 1.82 -0.02 7.54 0.00 -1.25 -1.65 121.76 125.67 2qa3 s ALA 95 Ca 0.23 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.31 2qa3 s ALA 95 Cb 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2qa3 s ALA 95 CO 0.54 0.42 -0.15 1.03 0.00 0.00 0.00 175.76 177.60 2qa3 s ARG 96 N -0.42 1.34 -0.10 0.00 1.81 0.10 -4.98 118.95 116.71 2qa3 s ARG 96 Ca 0.06 -0.55 0.04 0.00 -1.72 0.00 0.00 55.73 53.56 2qa3 s ARG 96 Cb -0.09 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.14 2qa3 s ARG 96 CO -0.00 0.30 -0.22 0.99 -0.68 0.00 0.00 175.30 175.69 2qa3 s THR 97 N -0.24 1.90 -0.23 0.02 2.01 -1.26 -0.49 115.64 117.35 2qa3 s THR 97 Ca 0.03 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.02 2qa3 s THR 97 Cb -0.07 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2qa3 s THR 97 CO 0.00 0.52 0.11 0.00 -0.69 0.00 0.00 174.62 174.56 2qa3 s ALA 98 N 0.42 3.42 0.20 7.40 0.00 0.29 -4.88 121.76 128.60 2qa3 s ALA 98 Ca -0.18 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 2qa3 s ALA 98 Cb -0.18 -2.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 2qa3 s ALA 98 CO 0.08 -0.18 1.60 -1.14 0.00 0.00 0.00 175.76 176.11 2qa3 s GLN 99 N 1.04 4.19 0.24 0.00 0.74 0.13 -0.58 119.66 125.41 2qa3 s GLN 99 Ca 0.05 2.44 0.05 0.00 0.05 0.00 0.00 55.36 57.96 2qa3 s GLN 99 Cb -0.14 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2qa3 s GLN 99 CO 0.04 -0.63 -0.06 0.95 -0.55 0.00 0.00 175.29 175.04 2qa3 s THR 100 N 0.90 1.38 -1.16 -0.34 -4.23 0.06 -4.64 115.64 107.62 2qa3 s THR 100 Ca 0.69 -2.10 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 2qa3 s THR 100 Cb -0.46 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2qa3 s THR 100 CO 0.35 -0.40 1.81 -2.16 -0.54 0.00 0.00 174.62 173.67 2qa3 s PRO 101 N -3.77 3.15 0.00 3.99 0.04 -1.26 -1.49 135.00 135.67 2qa3 s PRO 101 Ca 0.27 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 59.99 2qa3 s PRO 101 Cb 0.04 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2qa3 s PRO 101 CO 0.09 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 174.45 2qa3 n GLY 102 N 5.97 -1.21 0.31 0.56 0.00 -1.02 -2.26 105.19 107.54 2qa3 n GLY 102 Ca 0.44 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.85 2qa3 n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qa3 h GLY 103 N 0.00 0.84 0.94 -0.02 0.00 -1.77 -2.01 103.07 101.05 2qa3 h GLY 103 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2qa3 h GLY 103 CO 0.00 0.39 0.12 -0.84 0.00 0.00 0.00 176.54 176.21 2qa3 h THR 104 N 0.78 1.13 -1.00 4.70 2.02 -1.91 0.73 112.91 119.36 2qa3 h THR 104 Ca 0.19 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.07 2qa3 h THR 104 Cb 0.13 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 2qa3 h THR 104 CO -0.02 0.12 0.65 1.23 0.37 0.00 0.00 175.52 177.87 2qa3 h GLY 105 N 0.26 1.48 1.05 2.16 0.00 -1.28 -0.29 103.07 106.45 2qa3 h GLY 105 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2qa3 h GLY 105 CO -0.01 0.40 0.18 0.00 0.00 0.00 0.00 176.54 177.11 2qa3 h ALA 106 N 1.43 0.90 -0.68 3.60 0.00 -0.60 -0.31 119.26 123.60 2qa3 h ALA 106 Ca 0.41 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qa3 h ALA 106 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qa3 h ALA 106 CO -0.14 0.61 0.22 -0.07 0.00 0.00 0.00 179.25 179.87 2qa3 h LEU 107 N 1.02 0.99 -0.22 0.00 3.38 -0.04 -0.88 115.31 119.56 2qa3 h LEU 107 Ca 0.22 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2qa3 h LEU 107 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2qa3 h LEU 107 CO -0.00 0.93 -0.11 -0.09 0.09 0.00 0.00 178.44 179.26 2qa3 h ARG 108 N 0.99 0.46 -0.57 1.13 9.65 -0.83 -0.36 114.38 124.86 2qa3 h ARG 108 Ca 0.22 -0.20 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 2qa3 h ARG 108 Cb 0.29 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 2qa3 h ARG 108 CO -0.01 0.74 0.26 0.28 2.80 0.00 0.00 179.97 184.04 2qa3 h VAL 109 N 0.17 0.88 -0.49 0.20 2.07 -1.01 0.11 116.25 118.18 2qa3 h VAL 109 Ca 0.05 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2qa3 h VAL 109 Cb 0.61 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2qa3 h VAL 109 CO 0.03 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.95 2qa3 h ALA 110 N 1.34 0.62 -0.22 1.67 0.00 -0.92 -0.21 119.26 121.54 2qa3 h ALA 110 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2qa3 h ALA 110 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qa3 h ALA 110 CO -0.22 -0.12 0.03 0.00 0.00 0.00 0.00 179.25 178.95 2qa3 h ALA 111 N 1.27 0.29 -0.41 0.00 0.00 -0.37 -0.37 119.26 119.67 2qa3 h ALA 111 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qa3 h ALA 111 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qa3 h ALA 111 CO -0.16 -0.02 0.17 -0.44 0.00 0.00 0.00 179.25 178.80 2qa3 h ASP 112 N 0.16 0.56 -0.24 0.00 3.32 -0.70 0.72 116.42 120.24 2qa3 h ASP 112 Ca 0.07 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.02 2qa3 h ASP 112 Cb 0.34 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2qa3 h ASP 112 CO 0.01 0.56 -0.13 0.15 -1.72 0.00 0.00 179.24 178.11 2qa3 h PHE 113 N 0.52 -0.33 -0.33 4.55 3.57 -0.89 -1.50 116.94 122.53 2qa3 h PHE 113 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2qa3 h PHE 113 Cb 0.17 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2qa3 h PHE 113 CO -0.00 -0.20 0.00 -0.07 -2.23 0.00 0.00 178.31 175.81 2qa3 h LEU 114 N -0.11 0.57 -0.87 0.59 3.38 -0.82 -1.49 115.31 116.56 2qa3 h LEU 114 Ca 0.13 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2qa3 h LEU 114 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2qa3 h LEU 114 CO -0.31 0.74 0.49 0.00 0.09 0.00 0.00 178.44 179.45 2qa3 h ALA 115 N 0.85 1.12 0.00 1.53 0.00 -0.73 -2.12 119.26 119.92 2qa3 h ALA 115 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qa3 h ALA 115 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qa3 h ALA 115 CO 0.02 0.62 -0.86 0.87 0.00 0.00 0.00 179.25 179.89 2qa3 h LYS 116 N 1.22 0.00 0.00 0.00 1.79 -1.21 -3.40 116.57 114.97 2qa3 h LYS 116 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2qa3 h LYS 116 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2qa3 h LYS 116 CO -0.05 0.18 0.00 0.09 -1.08 0.00 0.00 179.45 178.58 2qa3 n ASN 117 N -2.91 0.65 -3.82 0.86 3.02 -0.57 -5.07 115.26 107.43 2qa3 n ASN 117 Ca -0.02 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.47 2qa3 n ASN 117 Cb 0.67 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.95 2qa3 n ASN 117 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qa3 s THR 118 N -0.20 0.25 -2.16 3.41 -4.23 -0.80 -5.03 115.64 106.88 2qa3 s THR 118 Ca 0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2qa3 s THR 118 Cb 0.00 -2.47 0.46 0.00 1.34 0.00 0.00 72.50 71.83 2qa3 s THR 118 CO 0.00 0.00 1.57 -1.54 -0.54 0.00 0.00 174.62 174.11 2qa3 n SER 119 N -1.17 1.08 -4.72 3.99 3.41 -1.26 -4.77 113.62 110.17 2qa3 n SER 119 Ca 0.02 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 2qa3 n SER 119 Cb 0.64 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2qa3 n SER 119 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qa3 n VAL 120 N -0.06 0.13 0.00 -3.33 0.31 -1.26 -4.87 118.33 109.26 2qa3 n VAL 120 Ca 0.15 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2qa3 n VAL 120 Cb 0.23 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2qa3 n VAL 120 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qa3 n LYS 121 N 3.72 1.53 -3.88 5.55 5.02 -1.26 -4.69 118.16 124.14 2qa3 n LYS 121 Ca 0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 2qa3 n LYS 121 Cb 0.35 -0.88 -0.13 0.00 -0.02 0.00 0.00 35.03 34.35 2qa3 n LYS 121 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qa3 s ARG 122 N -1.74 0.12 -0.11 1.97 0.52 -1.26 -0.91 118.95 117.54 2qa3 s ARG 122 Ca 0.00 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 2qa3 s ARG 122 Cb 0.00 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.52 2qa3 s ARG 122 CO 0.00 -0.02 -0.21 0.08 0.02 0.00 0.00 175.30 175.17 2qa3 s VAL 123 N -0.37 1.89 -0.18 3.52 1.01 0.12 -1.64 120.40 124.75 2qa3 s VAL 123 Ca -0.04 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2qa3 s VAL 123 Cb -0.03 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2qa3 s VAL 123 CO -0.00 0.52 0.48 0.26 0.00 0.00 0.00 175.10 176.36 2qa3 s TRP 124 N 0.54 3.41 0.08 5.22 0.52 0.10 -1.16 118.94 127.65 2qa3 s TRP 124 Ca -0.15 0.77 0.07 0.00 0.02 0.00 0.00 56.10 56.81 2qa3 s TRP 124 Cb -0.17 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2qa3 s TRP 124 CO 0.05 -0.01 -0.18 0.14 0.02 0.00 0.00 176.95 176.97 2qa3 s VAL 125 N 1.30 1.45 0.50 4.03 -7.23 0.43 0.03 120.40 120.91 2qa3 s VAL 125 Ca 0.23 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.80 2qa3 s VAL 125 Cb -0.15 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 2qa3 s VAL 125 CO 0.09 -0.08 1.24 -0.94 -0.31 0.00 0.00 175.10 175.10 2qa3 s SER 126 N -1.71 5.79 -0.38 4.85 1.04 -1.26 -0.90 113.70 121.13 2qa3 s SER 126 Ca 0.03 2.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 2qa3 s SER 126 Cb -0.10 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.44 2qa3 s SER 126 CO 0.03 -1.19 0.22 0.21 0.98 0.00 0.00 173.24 173.49 2qa3 s ASN 127 N -1.21 5.76 0.59 7.02 2.47 0.74 -2.80 114.94 127.50 2qa3 s ASN 127 Ca 0.67 -1.05 -0.05 0.00 0.42 0.00 0.00 52.86 52.85 2qa3 s ASN 127 Cb -0.33 -2.03 0.01 0.00 -1.45 0.00 0.00 41.25 37.45 2qa3 s ASN 127 CO 0.40 -0.41 0.88 -2.16 -3.72 0.00 0.00 177.10 172.09 2qa3 s PRO 128 N 1.55 2.83 0.11 0.43 0.04 -1.26 -3.36 135.00 135.33 2qa3 s PRO 128 Ca 0.02 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 60.94 2qa3 s PRO 128 Cb -0.20 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 2qa3 s PRO 128 CO 0.06 -0.72 0.13 0.45 0.04 0.00 0.00 177.00 176.96 2qa3 n SER 129 N -2.55 -0.34 -4.70 6.66 2.88 -1.12 -4.62 113.62 109.83 2qa3 n SER 129 Ca 0.05 -1.67 -0.42 0.00 -1.33 0.00 0.00 58.87 55.49 2qa3 n SER 129 Cb 0.58 0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 64.70 2qa3 n SER 129 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2qa3 s TRP 130 N -3.34 2.71 0.55 0.66 -0.00 -1.08 -4.51 118.94 113.94 2qa3 s TRP 130 Ca 0.11 0.51 0.32 0.00 -0.00 0.00 0.00 56.10 57.04 2qa3 s TRP 130 Cb 0.00 -3.90 1.84 0.00 -0.00 0.00 0.00 33.47 31.41 2qa3 s TRP 130 CO 0.08 -3.47 2.23 -1.35 -0.00 0.00 0.00 176.95 174.44 2qa3 h PRO 131 N 7.73 0.00 0.00 5.86 0.11 -2.00 -2.42 132.00 141.29 2qa3 h PRO 131 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qa3 h PRO 131 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qa3 h PRO 131 CO 0.92 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 177.03 2qa3 n ASN 132 N -3.63 0.34 -0.02 -2.05 5.15 -1.26 -3.50 115.26 110.29 2qa3 n ASN 132 Ca -0.03 0.55 -0.10 0.00 -0.60 0.00 0.00 54.58 54.41 2qa3 n ASN 132 Cb 0.12 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 38.70 2qa3 n ASN 132 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 2qa3 h HIS 133 N 0.00 0.01 -0.65 1.20 3.86 -1.83 -1.04 115.15 116.70 2qa3 h HIS 133 Ca 0.00 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 2qa3 h HIS 133 Cb 0.48 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2qa3 h HIS 133 CO 0.00 -0.01 0.40 -0.22 0.86 0.00 0.00 177.93 178.96 2qa3 h LYS 134 N 0.06 0.75 -0.45 2.45 3.64 -1.78 -2.06 116.57 119.20 2qa3 h LYS 134 Ca 0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qa3 h LYS 134 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2qa3 h LYS 134 CO -0.11 0.50 0.27 0.77 -2.27 0.00 0.00 179.45 178.61 2qa3 h SER 135 N 0.78 0.53 0.23 4.20 0.02 -1.62 -0.68 113.55 117.01 2qa3 h SER 135 Ca 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2qa3 h SER 135 Cb 0.04 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2qa3 h SER 135 CO -0.11 0.43 -0.11 0.58 -1.14 0.00 0.00 176.83 176.48 2qa3 h VAL 136 N 0.59 0.82 -0.42 2.27 2.07 -0.85 -0.95 116.25 119.78 2qa3 h VAL 136 Ca 0.16 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 2qa3 h VAL 136 Cb -0.01 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2qa3 h VAL 136 CO -0.03 0.05 -0.08 -0.26 0.02 0.00 0.00 177.57 177.28 2qa3 h PHE 137 N -0.42 0.89 -0.75 1.57 0.04 -1.31 -2.69 116.94 114.26 2qa3 h PHE 137 Ca -0.03 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.58 2qa3 h PHE 137 Cb 0.32 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 2qa3 h PHE 137 CO -0.03 0.90 0.50 -0.91 -0.60 0.00 0.00 178.31 178.17 2qa3 h ASN 138 N 0.62 0.81 0.29 2.17 -0.26 -1.07 -1.29 115.58 116.86 2qa3 h ASN 138 Ca 0.11 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2qa3 h ASN 138 Cb 0.60 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2qa3 h ASN 138 CO 0.04 0.57 -0.09 0.28 -1.06 0.00 0.00 177.43 177.17 2qa3 h SER 139 N 0.95 0.00 -0.09 5.81 0.02 -0.83 -0.57 113.55 118.85 2qa3 h SER 139 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2qa3 h SER 139 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2qa3 h SER 139 CO -0.08 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2qa3 n ALA 140 N -2.28 2.54 -0.53 3.77 0.00 -0.69 -4.92 120.51 118.40 2qa3 n ALA 140 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2qa3 n ALA 140 Cb 0.20 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2qa3 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa3 n GLY 141 N 1.17 0.71 3.82 0.00 0.00 -0.22 -4.79 105.19 105.88 2qa3 n GLY 141 Ca 0.18 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2qa3 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa3 s LEU 142 N 0.00 4.24 0.44 0.99 1.43 -0.57 -4.99 118.68 120.22 2qa3 s LEU 142 Ca 0.00 0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 2qa3 s LEU 142 Cb 0.00 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 2qa3 s LEU 142 CO 0.00 0.35 1.04 -1.61 0.23 0.00 0.00 176.35 176.35 2qa3 s GLU 143 N -0.64 4.02 -0.13 1.70 2.02 -0.09 -3.14 118.70 122.43 2qa3 s GLU 143 Ca 0.13 1.43 0.02 0.00 0.02 0.00 0.00 54.97 56.56 2qa3 s GLU 143 Cb -0.12 -2.33 -0.00 0.00 0.10 0.00 0.00 34.13 31.78 2qa3 s GLU 143 CO 0.02 -0.26 -0.19 0.08 0.02 0.00 0.00 175.26 174.94 2qa3 s VAL 144 N -1.82 2.47 0.19 2.63 1.01 -1.26 -0.70 120.40 122.91 2qa3 s VAL 144 Ca 0.62 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.85 2qa3 s VAL 144 Cb -0.19 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2qa3 s VAL 144 CO 0.23 0.54 -0.23 -0.13 0.00 0.00 0.00 175.10 175.52 2qa3 s ARG 145 N 0.55 1.58 -0.04 2.72 1.81 -0.31 -4.96 118.95 120.30 2qa3 s ARG 145 Ca -0.11 -1.48 -0.00 0.00 -1.72 0.00 0.00 55.73 52.42 2qa3 s ARG 145 Cb -0.16 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.41 2qa3 s ARG 145 CO 0.04 0.41 0.01 -1.21 -0.68 0.00 0.00 175.30 173.87 2qa3 s GLU 146 N -2.64 2.90 0.02 3.54 2.02 -1.26 -0.43 118.70 122.86 2qa3 s GLU 146 Ca 0.21 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.74 2qa3 s GLU 146 Cb -0.08 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2qa3 s GLU 146 CO 0.10 0.66 -0.11 1.52 0.02 0.00 0.00 175.26 177.46 2qa3 s TYR 147 N -1.00 2.76 0.59 1.61 -0.85 -0.08 -4.89 117.35 115.49 2qa3 s TYR 147 Ca 0.17 -0.12 -0.20 0.00 -0.52 0.00 0.00 57.07 56.40 2qa3 s TYR 147 Cb -0.11 -1.55 -0.03 0.00 0.38 0.00 0.00 41.96 40.64 2qa3 s TYR 147 CO 0.07 0.33 1.30 0.00 -1.52 0.00 0.00 175.55 175.72 2qa3 s ALA 148 N -0.98 2.60 0.00 9.51 0.00 -1.26 -0.18 121.76 131.45 2qa3 s ALA 148 Ca 0.16 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2qa3 s ALA 148 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2qa3 s ALA 148 CO 0.07 -1.38 0.00 0.98 0.00 0.00 0.00 175.76 175.42 2qa3 n TYR 149 N -1.44 -0.47 -3.76 0.00 9.36 -1.22 -3.60 117.16 116.04 2qa3 n TYR 149 Ca 0.13 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.99 2qa3 n TYR 149 Cb 0.47 0.40 -0.10 0.00 -0.63 0.00 0.00 39.34 39.48 2qa3 n TYR 149 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2qa3 s TYR 150 N -1.80 3.24 -0.59 2.98 5.04 -1.26 -0.96 117.35 124.00 2qa3 s TYR 150 Ca 0.00 0.04 -0.19 0.00 -2.44 0.00 0.00 57.07 54.48 2qa3 s TYR 150 Cb 0.00 -2.23 0.10 0.00 0.35 0.00 0.00 41.96 40.18 2qa3 s TYR 150 CO 0.00 -0.03 0.70 0.34 -1.34 0.00 0.00 175.55 175.22 2qa3 s ASP 151 N 1.10 6.18 0.00 4.32 -1.08 0.51 -4.78 116.67 122.92 2qa3 s ASP 151 Ca 0.06 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 50.80 2qa3 s ASP 151 Cb -0.14 -2.30 0.67 0.00 -1.46 0.00 0.00 42.92 39.69 2qa3 s ASP 151 CO 0.04 -1.11 1.39 0.00 0.52 0.00 0.00 175.17 176.01 2qa3 n ALA 152 N 6.32 1.75 -0.08 3.66 0.00 -1.26 -0.09 120.51 130.81 2qa3 n ALA 152 Ca -0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2qa3 n ALA 152 Cb 0.42 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 2qa3 n ALA 152 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qa3 n GLU 153 N -1.34 0.66 0.00 0.00 2.13 -1.26 -4.29 120.64 116.53 2qa3 n GLU 153 Ca 0.06 0.30 0.12 0.00 0.66 0.00 0.00 57.16 58.30 2qa3 n GLU 153 Cb 0.12 -1.62 0.19 0.00 0.27 0.00 0.00 31.44 30.40 2qa3 n GLU 153 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2qa3 n ASN 154 N -3.76 2.50 -3.94 4.31 5.03 -1.17 -4.96 115.26 113.27 2qa3 n ASN 154 Ca -0.40 -1.80 -0.28 0.00 0.87 0.00 0.00 54.58 52.96 2qa3 n ASN 154 Cb 0.93 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.75 2qa3 n ASN 154 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2qa3 n HIS 155 N 0.88 -1.94 -4.50 3.10 8.25 0.87 -4.97 115.22 116.91 2qa3 n HIS 155 Ca 0.14 0.83 -0.26 0.00 -0.26 0.00 0.00 57.72 58.18 2qa3 n HIS 155 Cb 0.52 -3.81 -0.08 0.00 1.12 0.00 0.00 29.99 27.75 2qa3 n HIS 155 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2qa3 s THR 156 N -3.55 0.49 0.12 1.59 -4.23 -0.89 -4.95 115.64 104.21 2qa3 s THR 156 Ca 0.37 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 2qa3 s THR 156 Cb -0.19 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 2qa3 s THR 156 CO 0.86 0.00 1.04 -0.22 -0.54 0.00 0.00 174.62 175.76 2qa3 s LEU 157 N -3.61 4.47 -1.09 4.79 0.20 -1.26 -0.36 118.68 121.81 2qa3 s LEU 157 Ca 0.24 1.91 -0.10 0.00 0.69 0.00 0.00 54.13 56.86 2qa3 s LEU 157 Cb 0.02 -3.59 0.25 0.00 -0.43 0.00 0.00 46.19 42.44 2qa3 s LEU 157 CO 0.16 -0.19 1.12 -0.62 -0.29 0.00 0.00 176.35 176.53 2qa3 s ASP 158 N 0.20 7.22 0.65 3.68 3.68 -0.14 -4.76 116.67 127.19 2qa3 s ASP 158 Ca 0.50 -3.39 0.41 0.00 2.13 0.00 0.00 52.55 52.20 2qa3 s ASP 158 Cb -0.26 -2.24 2.27 0.00 -1.45 0.00 0.00 42.92 41.24 2qa3 s ASP 158 CO 0.31 -0.40 2.34 0.15 0.13 0.00 0.00 175.17 177.71 2qa3 h PHE 159 N 6.90 0.00 0.19 -5.34 3.04 -1.94 0.48 116.94 120.26 2qa3 h PHE 159 Ca 0.19 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 2qa3 h PHE 159 Cb 0.90 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.41 2qa3 h PHE 159 CO 0.84 0.00 -0.09 -0.44 -2.02 0.00 0.00 178.31 176.60 2qa3 h ASP 160 N 0.00 -0.22 -0.05 0.41 3.32 -1.97 -2.21 116.42 115.70 2qa3 h ASP 160 Ca -0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2qa3 h ASP 160 Cb 0.02 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2qa3 h ASP 160 CO 0.00 0.32 0.01 0.00 -1.72 0.00 0.00 179.24 177.85 2qa3 h ALA 161 N -0.56 1.85 0.44 3.45 0.00 -1.67 -1.18 119.26 121.58 2qa3 h ALA 161 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qa3 h ALA 161 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qa3 h ALA 161 CO 0.04 0.12 -0.21 1.25 0.00 0.00 0.00 179.25 180.46 2qa3 h LEU 162 N 0.13 -0.50 -0.75 0.00 6.46 -0.98 -1.55 115.31 118.12 2qa3 h LEU 162 Ca 0.03 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2qa3 h LEU 162 Cb 0.08 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2qa3 h LEU 162 CO -0.00 -0.09 0.46 0.40 -0.62 0.00 0.00 178.44 178.59 2qa3 h ILE 163 N -1.01 1.04 -0.38 4.05 1.08 -1.30 -0.69 117.51 120.29 2qa3 h ILE 163 Ca -0.06 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 2qa3 h ILE 163 Cb 0.56 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2qa3 h ILE 163 CO 0.10 0.16 0.22 -1.13 -0.69 0.00 0.00 178.15 176.80 2qa3 h ASN 164 N 0.85 0.47 -0.71 1.72 -1.24 -1.26 -1.87 115.58 113.54 2qa3 h ASN 164 Ca 0.32 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2qa3 h ASN 164 Cb 0.12 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2qa3 h ASN 164 CO -0.15 0.41 0.35 0.77 -1.29 0.00 0.00 177.43 177.51 2qa3 h SER 165 N 0.49 0.93 1.00 1.15 4.64 -0.89 -2.93 113.55 117.95 2qa3 h SER 165 Ca 0.14 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qa3 h SER 165 Cb 0.04 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2qa3 h SER 165 CO -0.02 0.80 0.00 -0.07 -0.87 0.00 0.00 176.83 176.67 2qa3 h LEU 166 N 1.00 0.00 -1.48 5.97 3.38 -0.84 -2.43 115.31 120.92 2qa3 h LEU 166 Ca 0.25 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.45 2qa3 h LEU 166 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2qa3 h LEU 166 CO -0.03 0.00 0.64 0.78 0.09 0.00 0.00 178.44 179.92 2qa3 h ASN 167 N 0.00 0.41 0.87 -0.43 2.35 -1.14 -1.13 115.58 116.50 2qa3 h ASN 167 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2qa3 h ASN 167 Cb 0.50 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2qa3 h ASN 167 CO 0.00 0.13 0.00 -0.62 -1.65 0.00 0.00 177.43 175.29 2qa3 n GLU 168 N -4.54 0.04 -2.34 0.81 -0.58 -0.91 -4.75 120.64 108.38 2qa3 n GLU 168 Ca 0.22 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 2qa3 n GLU 168 Cb 0.79 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.13 2qa3 n GLU 168 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qa3 s ALA 169 N -2.95 3.46 0.48 0.62 0.00 -0.43 -5.03 121.76 117.90 2qa3 s ALA 169 Ca 0.14 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 2qa3 s ALA 169 Cb 0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2qa3 s ALA 169 CO 0.48 -0.47 0.78 -0.65 0.00 0.00 0.00 175.76 175.89 2qa3 s GLN 170 N 0.81 3.50 0.22 0.00 -0.21 -1.26 -4.99 119.66 117.72 2qa3 s GLN 170 Ca 0.59 0.16 -0.32 0.00 0.02 0.00 0.00 55.36 55.81 2qa3 s GLN 170 Cb -0.32 -2.39 -0.13 0.00 1.00 0.00 0.00 33.01 31.18 2qa3 s GLN 170 CO 0.31 -0.21 1.62 0.00 -2.12 0.00 0.00 175.29 174.89 2qa3 n ALA 171 N -2.25 2.18 -0.21 6.09 0.00 -1.22 -1.59 120.51 123.50 2qa3 n ALA 171 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2qa3 n ALA 171 Cb 0.55 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2qa3 n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa3 n GLY 172 N 3.19 0.87 3.81 0.00 0.00 0.61 -5.00 105.19 108.67 2qa3 n GLY 172 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2qa3 n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa3 s ASP 173 N -2.89 6.12 -0.04 1.61 1.01 -0.62 -4.51 116.67 117.35 2qa3 s ASP 173 Ca 0.00 1.78 -0.12 0.00 0.71 0.00 0.00 52.55 54.91 2qa3 s ASP 173 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2qa3 s ASP 173 CO 0.00 -0.93 0.32 -0.69 0.21 0.00 0.00 175.17 174.08 2qa3 s VAL 174 N -2.40 5.18 -0.16 -1.27 1.01 -0.65 -0.98 120.40 121.13 2qa3 s VAL 174 Ca 0.63 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2qa3 s VAL 174 Cb -0.14 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2qa3 s VAL 174 CO 0.32 0.59 -0.20 -0.69 0.00 0.00 0.00 175.10 175.12 2qa3 s VAL 175 N -1.06 2.13 -0.12 2.92 1.01 -0.67 0.00 120.40 124.60 2qa3 s VAL 175 Ca 0.21 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 2qa3 s VAL 175 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2qa3 s VAL 175 CO 0.10 0.54 0.58 -0.22 0.00 0.00 0.00 175.10 176.11 2qa3 s LEU 176 N 1.05 4.26 -0.06 3.92 0.20 0.10 -1.11 118.68 127.05 2qa3 s LEU 176 Ca -0.01 0.93 0.06 0.00 0.69 0.00 0.00 54.13 55.80 2qa3 s LEU 176 Cb -0.14 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 42.74 2qa3 s LEU 176 CO -0.07 -0.10 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.30 2qa3 s PHE 177 N 0.99 2.48 -0.14 5.38 0.08 -0.04 -4.54 117.98 122.19 2qa3 s PHE 177 Ca 0.30 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.46 2qa3 s PHE 177 Cb -0.16 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2qa3 s PHE 177 CO 0.13 -0.14 0.99 -1.01 -0.10 0.00 0.00 175.22 175.09 2qa3 s HIS 178 N -0.27 3.46 0.20 0.36 3.76 -1.26 -0.34 115.29 121.21 2qa3 s HIS 178 Ca -0.00 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.32 2qa3 s HIS 178 Cb -0.13 -3.18 0.18 0.00 1.11 0.00 0.00 32.58 30.56 2qa3 s HIS 178 CO 0.03 -0.28 1.81 0.78 -0.85 0.00 0.00 174.74 176.23 2qa3 h GLY 179 N 8.36 0.87 -2.28 -2.22 0.00 -1.18 -3.45 103.07 103.17 2qa3 h GLY 179 Ca -0.28 -0.25 0.08 0.00 0.00 0.00 0.00 47.33 46.88 2qa3 h GLY 179 CO 0.88 0.18 0.29 0.00 0.00 0.00 0.00 176.54 177.89 2qa3 n HIS 182 N -4.40 1.13 -3.80 0.00 -0.00 -1.26 -4.75 115.22 102.14 2qa3 n HIS 182 Ca -0.10 0.76 -0.36 0.00 0.46 0.00 0.00 57.72 58.49 2qa3 n HIS 182 Cb 0.58 -2.24 -0.13 0.00 -0.12 0.00 0.00 29.99 28.09 2qa3 n HIS 182 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 2qa3 s ASN 183 N 0.12 4.91 0.00 0.26 2.47 -1.26 -0.29 114.94 121.15 2qa3 s ASN 183 Ca 0.81 -0.45 0.23 0.00 0.42 0.00 0.00 52.86 53.87 2qa3 s ASN 183 Cb -0.99 -1.86 0.15 0.00 -1.45 0.00 0.00 41.25 37.10 2qa3 s ASN 183 CO 0.51 -0.09 1.20 -0.81 -3.72 0.00 0.00 177.10 174.19 2qa3 n PRO 184 N 4.87 1.56 0.08 0.43 -0.04 -1.26 -2.62 135.00 138.02 2qa3 n PRO 184 Ca -0.16 -1.26 0.03 0.00 -0.04 0.00 0.00 63.50 62.07 2qa3 n PRO 184 Cb 0.50 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2qa3 n PRO 184 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qa3 h THR 185 N 3.08 0.47 0.00 0.52 1.35 -1.75 -3.20 112.91 113.37 2qa3 h THR 185 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2qa3 h THR 185 Cb 0.81 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2qa3 h THR 185 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2qa3 n GLY 186 N 1.29 0.23 3.55 5.82 0.00 0.60 -4.25 105.19 112.43 2qa3 n GLY 186 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2qa3 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qa3 s ILE 187 N -1.51 5.24 0.08 -0.61 1.01 -1.26 0.23 121.20 124.37 2qa3 s ILE 187 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.70 2qa3 s ILE 187 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2qa3 s ILE 187 CO 0.00 0.00 -0.12 -1.81 0.00 0.00 0.00 174.94 173.01 2qa3 s ASP 188 N 1.73 4.27 0.48 3.58 1.01 -1.26 -4.43 116.67 122.04 2qa3 s ASP 188 Ca 0.09 -0.38 -0.23 0.00 0.71 0.00 0.00 52.55 52.74 2qa3 s ASP 188 Cb -0.17 -0.80 -0.08 0.00 1.01 0.00 0.00 42.92 42.88 2qa3 s ASP 188 CO 0.11 0.21 1.11 -2.65 0.21 0.00 0.00 175.17 174.16 2qa3 n PRO 189 N 0.99 1.46 -1.27 8.23 -0.02 -1.26 -4.97 135.00 138.16 2qa3 n PRO 189 Ca -0.14 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 2qa3 n PRO 189 Cb 0.52 -2.23 0.15 0.00 -0.02 0.00 0.00 33.50 31.93 2qa3 n PRO 189 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2qa3 s THR 190 N -1.31 2.30 0.23 3.45 -4.23 -1.26 -4.76 115.64 110.06 2qa3 s THR 190 Ca 0.66 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 61.21 2qa3 s THR 190 Cb -0.49 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 70.90 2qa3 s THR 190 CO 0.54 -0.13 1.85 0.25 -0.54 0.00 0.00 174.62 176.59 2qa3 h LEU 191 N -1.68 0.80 -0.87 4.79 5.85 -1.99 0.13 115.31 122.35 2qa3 h LEU 191 Ca -0.52 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2qa3 h LEU 191 Cb 1.31 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2qa3 h LEU 191 CO 0.58 0.52 0.42 -0.33 -0.34 0.00 0.00 178.44 179.29 2qa3 h GLU 192 N 0.94 1.24 -0.49 1.25 5.08 -1.99 -0.37 114.58 120.24 2qa3 h GLU 192 Ca 0.36 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2qa3 h GLU 192 Cb 0.15 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2qa3 h GLU 192 CO -0.17 0.94 0.07 1.96 -1.00 0.00 0.00 179.01 180.82 2qa3 h GLN 193 N 1.23 0.81 -0.81 2.33 4.20 -1.70 -0.74 115.11 120.43 2qa3 h GLN 193 Ca 0.30 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 58.87 2qa3 h GLN 193 Cb 0.11 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 2qa3 h GLN 193 CO -0.04 0.81 0.46 -1.49 -0.67 0.00 0.00 178.83 177.91 2qa3 h TRP 194 N 0.68 0.84 -0.38 2.96 -0.00 -0.39 -0.12 115.95 119.54 2qa3 h TRP 194 Ca 0.15 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.03 2qa3 h TRP 194 Cb 0.40 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 2qa3 h TRP 194 CO 0.03 0.36 0.09 1.96 -0.00 0.00 0.00 178.44 180.88 2qa3 h GLN 195 N 0.79 0.60 -0.37 0.49 4.20 -0.75 0.16 115.11 120.23 2qa3 h GLN 195 Ca 0.38 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.98 2qa3 h GLN 195 Cb 0.32 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2qa3 h GLN 195 CO -0.23 0.64 0.17 1.15 -0.67 0.00 0.00 178.83 179.88 2qa3 h THR 196 N 0.46 0.95 -0.70 -0.54 2.02 -0.86 -1.88 112.91 112.35 2qa3 h THR 196 Ca 0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2qa3 h THR 196 Cb 0.30 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2qa3 h THR 196 CO 0.00 0.06 0.32 -0.07 0.37 0.00 0.00 175.52 176.20 2qa3 h LEU 197 N 0.35 0.92 -0.44 2.58 3.38 -0.77 -1.16 115.31 120.17 2qa3 h LEU 197 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qa3 h LEU 197 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2qa3 h LEU 197 CO -0.13 0.80 0.16 0.00 0.09 0.00 0.00 178.44 179.35 2qa3 h ALA 198 N 1.34 0.58 -0.33 1.53 0.00 -0.30 -0.13 119.26 121.96 2qa3 h ALA 198 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2qa3 h ALA 198 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qa3 h ALA 198 CO -0.03 0.21 -0.06 0.37 0.00 0.00 0.00 179.25 179.74 2qa3 h GLN 199 N 0.57 0.62 -0.58 0.00 5.75 -1.17 -2.51 115.11 117.80 2qa3 h GLN 199 Ca 0.15 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2qa3 h GLN 199 Cb 0.23 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 2qa3 h GLN 199 CO -0.01 0.78 0.33 1.25 -2.65 0.00 0.00 178.83 178.54 2qa3 h LEU 200 N 0.40 0.52 -0.79 -2.39 5.85 -1.10 -1.79 115.31 116.02 2qa3 h LEU 200 Ca 0.09 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2qa3 h LEU 200 Cb 0.54 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2qa3 h LEU 200 CO 0.03 0.36 0.49 0.28 -0.34 0.00 0.00 178.44 179.26 2qa3 h SER 201 N 0.65 0.79 -0.25 1.25 0.02 -0.89 0.08 113.55 115.20 2qa3 h SER 201 Ca 0.24 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2qa3 h SER 201 Cb 0.07 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2qa3 h SER 201 CO -0.12 0.52 0.11 0.58 -1.14 0.00 0.00 176.83 176.78 2qa3 h VAL 202 N 0.93 1.15 -0.51 2.27 2.07 -1.15 -1.37 116.25 119.64 2qa3 h VAL 202 Ca 0.33 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2qa3 h VAL 202 Cb 0.10 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2qa3 h VAL 202 CO -0.15 0.16 0.09 -0.33 0.02 0.00 0.00 177.57 177.36 2qa3 h GLU 203 N 0.26 0.80 -0.00 1.57 5.08 -0.67 -2.98 114.58 118.64 2qa3 h GLU 203 Ca 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qa3 h GLU 203 Cb 0.14 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qa3 h GLU 203 CO -0.01 0.75 -0.55 1.63 -1.00 0.00 0.00 179.01 179.82 2qa3 n LYS 204 N -4.26 0.00 -2.31 2.33 4.76 -0.05 -4.97 118.16 113.66 2qa3 n LYS 204 Ca 0.03 -0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.42 2qa3 n LYS 204 Cb 0.25 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2qa3 n LYS 204 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qa3 n GLY 205 N 1.50 0.28 3.81 0.72 0.00 -0.58 -3.46 105.19 107.45 2qa3 n GLY 205 Ca 0.05 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2qa3 n GLY 205 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qa3 s TRP 206 N -2.52 3.44 -0.36 1.61 0.51 -0.82 -0.28 118.94 120.51 2qa3 s TRP 206 Ca 0.05 1.67 -0.18 0.00 -2.12 0.00 0.00 56.10 55.52 2qa3 s TRP 206 Cb -0.02 -2.88 -0.00 0.00 -0.81 0.00 0.00 33.47 29.76 2qa3 s TRP 206 CO 0.06 -0.01 0.51 -1.17 -0.51 0.00 0.00 176.95 175.83 2qa3 s LEU 207 N -2.80 4.40 0.17 2.99 2.96 -0.15 -4.81 118.68 121.44 2qa3 s LEU 207 Ca 0.58 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 54.08 2qa3 s LEU 207 Cb -0.12 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 2qa3 s LEU 207 CO 0.17 -0.50 1.12 -2.84 -1.32 0.00 0.00 176.35 172.98 2qa3 s PRO 208 N 2.38 4.57 -0.26 0.98 0.02 -1.26 -1.67 135.00 139.74 2qa3 s PRO 208 Ca 0.18 1.74 0.03 0.00 0.02 0.00 0.00 61.00 62.97 2qa3 s PRO 208 Cb -0.16 -3.28 0.06 0.00 0.02 0.00 0.00 34.50 31.15 2qa3 s PRO 208 CO 0.14 0.02 -0.10 -1.17 -0.33 0.00 0.00 177.00 175.56 2qa3 s LEU 209 N -0.23 3.52 -0.07 -5.54 2.96 -0.27 -1.78 118.68 117.28 2qa3 s LEU 209 Ca 0.51 -1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 52.77 2qa3 s LEU 209 Cb -0.30 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2qa3 s LEU 209 CO 0.35 -0.20 0.59 -0.36 -1.32 0.00 0.00 176.35 175.41 2qa3 s PHE 210 N 1.09 3.58 -0.28 5.38 0.40 0.40 -0.86 117.98 127.69 2qa3 s PHE 210 Ca -0.08 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.29 2qa3 s PHE 210 Cb -0.20 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 40.67 2qa3 s PHE 210 CO -0.05 0.18 0.07 0.34 0.70 0.00 0.00 175.22 176.45 2qa3 s ASP 211 N 0.50 5.04 -0.63 1.36 -1.08 0.54 0.10 116.67 122.50 2qa3 s ASP 211 Ca 0.32 -0.66 0.05 0.00 -0.52 0.00 0.00 52.55 51.74 2qa3 s ASP 211 Cb -0.17 -1.87 0.17 0.00 -1.46 0.00 0.00 42.92 39.59 2qa3 s ASP 211 CO 0.15 -0.17 0.44 -0.36 0.52 0.00 0.00 175.17 175.76 2qa3 s PHE 212 N 1.50 2.98 -1.87 -5.34 0.40 0.26 -0.55 117.98 115.37 2qa3 s PHE 212 Ca 0.03 -3.09 0.23 0.00 -0.60 0.00 0.00 56.93 53.50 2qa3 s PHE 212 Cb -0.17 -2.31 0.10 0.00 0.51 0.00 0.00 43.02 41.15 2qa3 s PHE 212 CO 0.02 -0.62 1.15 0.00 0.70 0.00 0.00 175.22 176.47 2qa3 n ALA 213 N 2.26 3.61 -2.17 5.36 0.00 -1.26 -1.78 120.51 126.53 2qa3 n ALA 213 Ca 0.21 -0.60 0.05 0.00 0.00 0.00 0.00 53.44 53.10 2qa3 n ALA 213 Cb 0.37 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.06 2qa3 n ALA 213 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qa3 n TYR 214 N -0.30 0.00 -1.69 0.00 4.01 -1.26 -4.57 117.16 113.35 2qa3 n TYR 214 Ca 0.09 -0.83 -0.42 0.00 -0.16 0.00 0.00 57.90 56.58 2qa3 n TYR 214 Cb 0.43 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 2qa3 n TYR 214 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2qa3 n GLN 215 N -0.07 2.81 0.00 -0.72 7.27 -1.26 -1.13 117.38 124.29 2qa3 n GLN 215 Ca 0.10 1.02 0.00 0.00 0.07 0.00 0.00 57.00 58.20 2qa3 n GLN 215 Cb 0.98 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.70 2qa3 n GLN 215 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qa3 n GLY 216 N 4.28 0.58 0.00 1.69 0.00 -1.26 -4.80 105.19 105.68 2qa3 n GLY 216 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2qa3 n GLY 216 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qa3 n PHE 217 N -1.74 0.04 0.00 1.61 3.72 -0.28 -4.40 117.46 116.41 2qa3 n PHE 217 Ca 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2qa3 n PHE 217 Cb 0.00 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 2qa3 n PHE 217 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qa3 n ALA 218 N -1.55 0.00 0.00 4.37 0.00 -1.26 -3.65 120.51 118.42 2qa3 n ALA 218 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qa3 n ALA 218 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2qa3 n ALA 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qa3 n ARG 219 N -1.93 1.16 0.00 0.00 1.74 -1.26 -4.83 116.66 111.54 2qa3 n ARG 219 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qa3 n ARG 219 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 2qa3 n ARG 219 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa3 n GLY 220 N 2.96 0.54 0.06 -0.13 0.00 -1.26 -4.96 105.19 102.41 2qa3 n GLY 220 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2qa3 n GLY 220 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qa3 h LEU 221 N 0.00 0.07 -0.11 0.99 3.38 -1.90 -0.11 115.31 117.63 2qa3 h LEU 221 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2qa3 h LEU 221 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qa3 h LEU 221 CO 0.00 0.07 -0.17 -0.33 0.09 0.00 0.00 178.44 178.10 2qa3 h GLU 222 N 0.06 0.30 -0.97 1.13 4.39 -1.96 -3.07 114.58 114.46 2qa3 h GLU 222 Ca 0.02 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2qa3 h GLU 222 Cb 0.01 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 2qa3 h GLU 222 CO -0.00 0.76 0.64 0.93 -1.16 0.00 0.00 179.01 180.18 2qa3 h GLU 223 N -0.13 1.25 0.00 2.33 5.08 -1.92 -2.05 114.58 119.14 2qa3 h GLU 223 Ca 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qa3 h GLU 223 Cb 0.74 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2qa3 h GLU 223 CO 0.04 0.83 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.38 2qa3 h ASP 224 N 1.29 0.00 0.08 1.42 5.19 -0.99 -2.20 116.42 121.21 2qa3 h ASP 224 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2qa3 h ASP 224 Cb -0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2qa3 h ASP 224 CO -0.09 0.06 -0.13 0.00 -3.12 0.00 0.00 179.24 175.95 2qa3 n ALA 225 N -2.15 2.83 -0.29 3.45 0.00 -0.78 -4.47 120.51 119.11 2qa3 n ALA 225 Ca -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 53.44 52.99 2qa3 n ALA 225 Cb 0.26 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 18.77 2qa3 n ALA 225 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qa3 h GLU 226 N 2.15 0.78 0.35 0.00 5.08 -1.30 -0.65 114.58 120.99 2qa3 h GLU 226 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2qa3 h GLU 226 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2qa3 h GLU 226 CO 0.00 0.52 -0.17 0.78 -1.00 0.00 0.00 179.01 179.14 2qa3 h GLY 227 N 0.80 -0.49 0.27 -3.84 0.00 -1.81 0.98 103.07 98.98 2qa3 h GLY 227 Ca 0.38 0.18 0.10 0.00 0.00 0.00 0.00 47.33 48.00 2qa3 h GLY 227 CO -0.23 -0.18 0.17 -2.00 0.00 0.00 0.00 176.54 174.30 2qa3 h LEU 228 N -0.52 0.09 -1.07 3.11 5.85 -1.78 -2.02 115.31 118.98 2qa3 h LEU 228 Ca -0.05 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2qa3 h LEU 228 Cb 0.39 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2qa3 h LEU 228 CO 0.08 0.06 -0.30 0.03 -0.34 0.00 0.00 178.44 177.97 2qa3 h ARG 229 N 0.32 0.28 -0.55 1.25 3.08 -0.81 0.17 114.38 118.13 2qa3 h ARG 229 Ca 0.31 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2qa3 h ARG 229 Cb 0.43 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2qa3 h ARG 229 CO -0.36 0.56 0.33 0.00 -1.07 0.00 0.00 179.97 179.44 2qa3 h ALA 230 N 1.44 0.70 -0.45 0.04 0.00 -0.30 -0.77 119.26 119.93 2qa3 h ALA 230 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2qa3 h ALA 230 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qa3 h ALA 230 CO 0.05 0.18 0.09 0.74 0.00 0.00 0.00 179.25 180.31 2qa3 h PHE 231 N 0.74 0.78 0.00 0.00 -1.00 -0.80 -3.06 116.94 113.60 2qa3 h PHE 231 Ca 0.20 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 2qa3 h PHE 231 Cb -0.02 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 2qa3 h PHE 231 CO -0.02 0.72 -0.22 0.00 -1.61 0.00 0.00 178.31 177.18 2qa3 h ALA 232 N 0.96 1.48 0.00 2.45 0.00 -0.38 -0.75 119.26 123.01 2qa3 h ALA 232 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2qa3 h ALA 232 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qa3 h ALA 232 CO 0.01 0.28 -0.29 0.00 0.00 0.00 0.00 179.25 179.25 2qa3 h ALA 233 N 1.78 1.09 0.00 0.00 0.00 -1.05 -3.27 119.26 117.81 2qa3 h ALA 233 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2qa3 h ALA 233 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2qa3 h ALA 233 CO 0.03 0.36 -2.05 -1.33 0.00 0.00 0.00 179.25 176.26 2qa3 n MET 234 N -3.57 0.68 -4.50 0.00 2.00 -0.46 -5.01 117.12 106.26 2qa3 n MET 234 Ca -0.01 -0.14 -0.33 0.00 0.00 0.00 0.00 57.70 57.22 2qa3 n MET 234 Cb 0.43 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.05 2qa3 n MET 234 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2qa3 s HIS 235 N -3.20 2.92 0.18 2.03 3.76 -0.41 -4.96 115.29 115.60 2qa3 s HIS 235 Ca -0.08 -0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 2qa3 s HIS 235 Cb 0.11 -1.65 0.09 0.00 1.11 0.00 0.00 32.58 32.25 2qa3 s HIS 235 CO 0.85 0.37 1.50 0.87 -0.85 0.00 0.00 174.74 177.48 2qa3 h LYS 236 N 4.76 0.64 -4.87 1.40 1.57 -1.90 -3.46 116.57 114.71 2qa3 h LYS 236 Ca -0.49 -0.38 -0.43 0.00 -1.87 0.00 0.00 60.65 57.48 2qa3 h LYS 236 Cb 1.17 0.04 -0.29 0.00 0.08 0.00 0.00 32.23 33.22 2qa3 h LYS 236 CO 0.53 0.99 -0.79 -1.21 -0.57 0.00 0.00 179.45 178.41 2qa3 s GLU 237 N -4.10 0.94 0.19 3.15 2.02 -1.26 -2.70 118.70 116.93 2qa3 s GLU 237 Ca -0.08 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 54.29 2qa3 s GLU 237 Cb 0.11 -0.89 0.05 0.00 0.10 0.00 0.00 34.13 33.50 2qa3 s GLU 237 CO 0.85 0.20 0.91 -0.48 0.02 0.00 0.00 175.26 176.76 2qa3 s LEU 238 N -0.13 -0.18 -0.01 1.80 0.05 -0.91 -4.43 118.68 114.87 2qa3 s LEU 238 Ca 0.02 -0.47 0.04 0.00 0.05 0.00 0.00 54.13 53.76 2qa3 s LEU 238 Cb -0.06 2.29 -0.01 0.00 -2.05 0.00 0.00 46.19 46.36 2qa3 s LEU 238 CO -0.00 -1.02 -0.12 -0.63 -0.55 0.00 0.00 176.35 174.04 2qa3 s ILE 239 N -3.36 0.91 -0.12 1.48 1.01 -0.73 -1.08 121.20 119.30 2qa3 s ILE 239 Ca 0.12 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2qa3 s ILE 239 Cb -0.02 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.69 2qa3 s ILE 239 CO 0.04 0.24 -0.20 -0.69 0.00 0.00 0.00 174.94 174.33 2qa3 s VAL 240 N -0.30 1.84 -0.39 2.92 1.01 0.37 -0.45 120.40 125.39 2qa3 s VAL 240 Ca 0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2qa3 s VAL 240 Cb -0.05 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.75 2qa3 s VAL 240 CO -0.00 0.51 0.22 0.00 0.00 0.00 0.00 175.10 175.82 2qa3 s ALA 241 N 0.83 3.24 0.24 5.51 0.00 0.11 -0.22 121.76 131.47 2qa3 s ALA 241 Ca -0.08 -1.98 0.09 0.00 0.00 0.00 0.00 51.96 49.98 2qa3 s ALA 241 Cb -0.16 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2qa3 s ALA 241 CO -0.01 -1.54 0.02 -1.54 0.00 0.00 0.00 175.76 172.70 2qa3 s SER 242 N 1.85 4.72 -0.01 0.00 1.04 0.22 -0.57 113.70 120.96 2qa3 s SER 242 Ca 0.02 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2qa3 s SER 242 Cb -0.21 -0.96 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 2qa3 s SER 242 CO 0.03 0.02 -0.09 -0.55 0.98 0.00 0.00 173.24 173.64 2qa3 s SER 243 N -3.50 1.00 -0.01 7.02 0.15 -0.73 -0.83 113.70 116.81 2qa3 s SER 243 Ca 0.30 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.98 2qa3 s SER 243 Cb -0.07 -0.12 0.52 0.00 -1.71 0.00 0.00 66.02 64.64 2qa3 s SER 243 CO 0.20 0.10 1.44 -1.22 1.20 0.00 0.00 173.24 174.96 2qa3 n TYR 244 N 2.88 0.81 0.00 3.44 4.01 0.20 -4.64 117.16 123.87 2qa3 n TYR 244 Ca -0.13 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 2qa3 n TYR 244 Cb 0.57 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2qa3 n TYR 244 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qa3 n SER 245 N 1.18 0.00 0.00 7.72 2.88 -1.25 -2.12 113.62 122.04 2qa3 n SER 245 Ca 0.20 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2qa3 n SER 245 Cb 0.56 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2qa3 n SER 245 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qa3 n ASN 247 N -1.01 0.00 -0.41 -3.46 0.23 -1.26 -0.63 115.26 108.72 2qa3 n ASN 247 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 2qa3 n ASN 247 Cb 0.02 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.77 2qa3 n ASN 247 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2qa3 n PHE 248 N -0.02 0.05 -3.37 -2.53 3.01 -0.90 -4.78 117.46 108.92 2qa3 n PHE 248 Ca 0.00 -0.06 -0.24 0.00 1.01 0.00 0.00 57.45 58.15 2qa3 n PHE 248 Cb 0.00 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.51 2qa3 n PHE 248 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qa3 n GLY 249 N 0.52 -0.52 1.20 1.37 0.00 -1.01 -4.59 105.19 102.16 2qa3 n GLY 249 Ca 0.06 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.26 2qa3 n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qa3 n LEU 250 N -4.36 4.41 -0.08 0.99 4.77 0.19 -4.74 117.00 118.19 2qa3 n LEU 250 Ca -0.04 -3.33 -0.02 0.00 -0.03 0.00 0.00 56.01 52.59 2qa3 n LEU 250 Cb 0.58 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2qa3 n LEU 250 CO 0.57 0.91 0.17 -1.22 -1.33 0.00 0.00 177.39 176.49 2qa3 n TYR 251 N -0.70 -0.08 1.59 -1.77 4.01 -1.08 -0.80 117.16 118.32 2qa3 n TYR 251 Ca 0.30 0.24 0.15 0.00 -0.16 0.00 0.00 57.90 58.43 2qa3 n TYR 251 Cb 1.05 -0.37 0.77 0.00 -0.31 0.00 0.00 39.34 40.49 2qa3 n TYR 251 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2qa3 n ASN 252 N -3.48 0.15 0.04 7.72 0.23 -1.26 -2.85 115.26 115.81 2qa3 n ASN 252 Ca 0.00 -0.53 0.12 0.00 -0.53 0.00 0.00 54.58 53.64 2qa3 n ASN 252 Cb 0.05 -0.15 0.23 0.00 -2.08 0.00 0.00 39.78 37.83 2qa3 n ASN 252 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2qa3 n GLU 253 N -1.08 0.19 -2.61 -3.83 -0.58 0.02 -5.01 120.64 107.73 2qa3 n GLU 253 Ca 0.17 0.06 -0.02 0.00 -0.42 0.00 0.00 57.16 56.95 2qa3 n GLU 253 Cb 0.21 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 2qa3 n GLU 253 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qa3 n ARG 254 N -1.90 -1.29 -3.95 3.49 5.12 -1.13 -4.48 116.66 112.52 2qa3 n ARG 254 Ca 0.04 1.43 -0.31 0.00 -1.93 0.00 0.00 57.85 57.08 2qa3 n ARG 254 Cb 0.40 -4.67 -0.15 0.00 -1.16 0.00 0.00 32.46 26.87 2qa3 n ARG 254 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qa3 s VAL 255 N -2.70 1.64 0.16 1.55 1.01 -1.26 -2.42 120.40 118.37 2qa3 s VAL 255 Ca 0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 2qa3 s VAL 255 Cb -0.02 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2qa3 s VAL 255 CO 0.57 -0.20 0.23 0.61 0.00 0.00 0.00 175.10 176.31 2qa3 n GLY 256 N 4.61 2.53 3.33 4.51 0.00 -0.55 -0.62 105.19 118.98 2qa3 n GLY 256 Ca -0.09 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2qa3 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa3 s ALA 257 N -2.01 -1.08 -0.27 4.61 0.00 -0.01 -0.76 121.76 122.25 2qa3 s ALA 257 Ca 0.12 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2qa3 s ALA 257 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.43 2qa3 s ALA 257 CO 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 175.76 175.65 2qa3 s THR 259 N 1.45 3.69 -0.18 0.00 2.01 0.69 -0.55 115.64 122.75 2qa3 s THR 259 Ca 0.03 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 2qa3 s THR 259 Cb -0.16 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2qa3 s THR 259 CO -0.01 0.43 0.07 -0.22 -0.69 0.00 0.00 174.62 174.21 2qa3 s LEU 260 N 1.12 3.88 -0.08 4.42 2.96 0.36 -0.48 118.68 130.86 2qa3 s LEU 260 Ca 0.02 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 2qa3 s LEU 260 Cb -0.15 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2qa3 s LEU 260 CO 0.00 0.19 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.32 2qa3 s VAL 261 N 0.29 1.84 0.42 1.68 1.01 -0.24 -0.72 120.40 124.67 2qa3 s VAL 261 Ca 0.04 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.17 2qa3 s VAL 261 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2qa3 s VAL 261 CO -0.00 0.51 0.17 0.00 0.00 0.00 0.00 175.10 175.78 2qa3 s ALA 262 N 0.30 2.89 0.43 5.51 0.00 -0.66 -2.14 121.76 128.09 2qa3 s ALA 262 Ca -0.15 -1.25 0.13 0.00 0.00 0.00 0.00 51.96 50.69 2qa3 s ALA 262 Cb -0.16 0.88 0.93 0.00 0.00 0.00 0.00 23.12 24.77 2qa3 s ALA 262 CO 0.07 -0.40 1.97 0.00 0.00 0.00 0.00 175.76 177.40 2qa3 h ALA 263 N 1.76 1.64 -2.93 0.00 0.00 -1.82 -3.44 119.26 114.47 2qa3 h ALA 263 Ca -0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2qa3 h ALA 263 Cb 1.27 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2qa3 h ALA 263 CO 0.51 0.27 0.07 0.16 0.00 0.00 0.00 179.25 180.25 2qa3 s ASP 264 N -6.96 -0.01 0.18 0.00 1.47 -1.26 -4.98 116.67 105.11 2qa3 s ASP 264 Ca -0.05 -0.93 -0.11 0.00 1.18 0.00 0.00 52.55 52.64 2qa3 s ASP 264 Cb 0.16 0.70 0.09 0.00 -0.34 0.00 0.00 42.92 43.53 2qa3 s ASP 264 CO 0.71 -1.34 1.74 0.28 0.68 0.00 0.00 175.17 177.24 2qa3 h SER 265 N 2.10 0.88 -0.38 2.11 0.02 -1.72 -0.54 113.55 116.02 2qa3 h SER 265 Ca -0.25 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 2qa3 h SER 265 Cb 1.25 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2qa3 h SER 265 CO 0.33 0.81 0.23 -0.08 -1.14 0.00 0.00 176.83 176.98 2qa3 h GLU 266 N 0.90 0.45 -0.18 3.45 4.22 -1.95 -0.64 114.58 120.84 2qa3 h GLU 266 Ca 0.21 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.55 2qa3 h GLU 266 Cb 0.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qa3 h GLU 266 CO -0.02 0.30 -0.19 1.15 -2.18 0.00 0.00 179.01 178.07 2qa3 h THR 267 N 0.47 1.34 -0.63 0.32 2.02 -1.90 -2.25 112.91 112.28 2qa3 h THR 267 Ca 0.15 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 2qa3 h THR 267 Cb -0.00 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2qa3 h THR 267 CO -0.07 0.41 0.20 1.62 0.37 0.00 0.00 175.52 178.05 2qa3 h VAL 268 N 0.09 1.25 -0.60 3.16 3.04 -1.01 -0.68 116.25 121.50 2qa3 h VAL 268 Ca 0.03 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2qa3 h VAL 268 Cb 0.74 0.61 -0.03 0.00 -2.01 0.00 0.00 31.29 30.59 2qa3 h VAL 268 CO 0.05 0.32 0.35 0.44 -1.01 0.00 0.00 177.57 177.72 2qa3 h ASP 269 N 0.90 0.72 -0.10 3.17 3.32 -1.09 0.38 116.42 123.72 2qa3 h ASP 269 Ca 0.20 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2qa3 h ASP 269 Cb 0.29 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2qa3 h ASP 269 CO -0.01 0.58 0.03 -0.09 -1.72 0.00 0.00 179.24 178.03 2qa3 h ARG 270 N 0.81 0.15 -0.79 3.56 2.43 -1.17 -1.60 114.38 117.77 2qa3 h ARG 270 Ca 0.21 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2qa3 h ARG 270 Cb -0.01 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2qa3 h ARG 270 CO -0.04 0.29 0.41 0.00 -1.51 0.00 0.00 179.97 179.12 2qa3 h ALA 271 N 0.85 1.02 -0.02 2.80 0.00 -0.97 -2.82 119.26 120.11 2qa3 h ALA 271 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qa3 h ALA 271 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qa3 h ALA 271 CO -0.00 0.55 -0.20 0.35 0.00 0.00 0.00 179.25 179.96 2qa3 h PHE 272 N 1.11 0.04 -0.96 0.00 3.57 0.04 -1.39 116.94 119.34 2qa3 h PHE 272 Ca 0.27 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.88 2qa3 h PHE 272 Cb 0.08 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 2qa3 h PHE 272 CO 0.01 0.23 0.59 1.03 -2.23 0.00 0.00 178.31 177.94 2qa3 h SER 273 N 0.03 0.88 0.64 0.41 0.87 -1.02 0.96 113.55 116.32 2qa3 h SER 273 Ca 0.01 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 2qa3 h SER 273 Cb 0.37 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2qa3 h SER 273 CO 0.03 0.49 -0.77 1.56 -0.53 0.00 0.00 176.83 177.60 2qa3 h GLN 274 N 0.97 0.10 -0.49 2.24 1.08 -1.33 -1.28 115.11 116.39 2qa3 h GLN 274 Ca 0.46 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 2qa3 h GLN 274 Cb 0.41 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2qa3 h GLN 274 CO -0.25 0.82 0.26 1.98 -0.95 0.00 0.00 178.83 180.69 2qa3 h MET 275 N 0.06 0.68 -0.57 1.46 4.05 -0.81 -1.19 114.93 118.62 2qa3 h MET 275 Ca -0.02 -0.09 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 2qa3 h MET 275 Cb 1.35 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.97 2qa3 h MET 275 CO 0.11 0.55 0.30 0.87 0.23 0.00 0.00 176.91 178.97 2qa3 h LYS 276 N 0.64 0.55 -0.89 0.39 1.57 -0.76 -1.65 116.57 116.42 2qa3 h LYS 276 Ca 0.17 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2qa3 h LYS 276 Cb 0.07 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 2qa3 h LYS 276 CO -0.03 0.37 0.58 0.00 -0.57 0.00 0.00 179.45 179.80 2qa3 h ALA 277 N 1.30 1.17 -0.46 3.86 0.00 -0.93 0.54 119.26 124.74 2qa3 h ALA 277 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qa3 h ALA 277 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qa3 h ALA 277 CO -0.17 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.72 2qa3 h ALA 278 N 1.37 1.49 -0.12 0.00 0.00 -0.67 -2.39 119.26 118.94 2qa3 h ALA 278 Ca 0.35 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 2qa3 h ALA 278 Cb -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qa3 h ALA 278 CO -0.12 0.40 -0.51 0.82 0.00 0.00 0.00 179.25 179.85 2qa3 h ILE 279 N 0.65 1.36 -0.96 0.00 2.04 -0.60 -3.17 117.51 116.83 2qa3 h ILE 279 Ca 0.16 -1.81 0.05 0.00 1.00 0.00 0.00 64.86 64.27 2qa3 h ILE 279 Cb 0.10 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2qa3 h ILE 279 CO -0.02 0.55 0.63 -0.09 0.00 0.00 0.00 178.15 179.21 2qa3 h ARG 280 N 0.17 1.12 -0.02 2.37 2.43 -0.62 0.05 114.38 119.88 2qa3 h ARG 280 Ca -0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2qa3 h ARG 280 Cb 1.14 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2qa3 h ARG 280 CO 0.11 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.30 2qa3 n ALA 281 N -2.38 2.63 -0.60 2.80 0.00 -0.93 -3.37 120.51 118.67 2qa3 n ALA 281 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2qa3 n ALA 281 Cb 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2qa3 n ALA 281 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qa3 n ASN 282 N -0.64 0.00 0.00 0.00 2.85 -0.07 -4.93 115.26 112.47 2qa3 n ASN 282 Ca 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 2qa3 n ASN 282 Cb 0.15 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.08 2qa3 n ASN 282 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qa3 n TYR 283 N -1.73 0.00 0.00 1.20 0.18 -0.77 -5.04 117.16 111.00 2qa3 n TYR 283 Ca 0.00 -0.35 0.00 0.00 1.88 0.00 0.00 57.90 59.43 2qa3 n TYR 283 Cb 0.00 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.93 2qa3 n TYR 283 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2qa3 n SER 284 N -0.35 0.00 -3.48 9.48 2.88 -0.84 -4.74 113.62 116.57 2qa3 n SER 284 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2qa3 n SER 284 Cb 0.30 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 2qa3 n SER 284 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2qa3 s ASN 285 N 0.00 -0.49 0.45 -3.46 2.20 -1.26 -4.29 114.94 108.10 2qa3 s ASN 285 Ca 0.00 0.14 -0.03 0.00 -0.94 0.00 0.00 52.86 52.04 2qa3 s ASN 285 Cb 0.00 0.48 -0.02 0.00 -2.00 0.00 0.00 41.25 39.71 2qa3 s ASN 285 CO 0.00 -0.73 0.71 -2.16 -2.94 0.00 0.00 177.10 171.99 2qa3 s PRO 286 N -2.89 3.34 0.06 3.55 0.04 -1.26 -5.02 135.00 132.82 2qa3 s PRO 286 Ca 0.00 -0.12 -0.31 0.00 0.04 0.00 0.00 61.00 60.62 2qa3 s PRO 286 Cb -0.01 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 2qa3 s PRO 286 CO -0.07 -0.19 1.30 -1.25 0.04 0.00 0.00 177.00 176.83 2qa3 s PRO 287 N -4.62 4.36 0.10 0.56 0.04 -1.26 -4.77 135.00 129.40 2qa3 s PRO 287 Ca 0.46 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 2qa3 s PRO 287 Cb -0.10 -3.37 -0.15 0.00 0.04 0.00 0.00 34.50 30.92 2qa3 s PRO 287 CO 0.41 -0.39 1.31 0.00 0.04 0.00 0.00 177.00 178.37 2qa3 h ALA 288 N 7.04 0.31 0.09 8.56 0.00 -1.95 -3.38 119.26 129.94 2qa3 h ALA 288 Ca -0.40 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 53.95 2qa3 h ALA 288 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2qa3 h ALA 288 CO 0.85 0.64 -0.22 1.25 0.00 0.00 0.00 179.25 181.77 2qa3 h HIS 289 N 0.50 -0.58 -0.35 0.00 -0.00 -1.92 0.31 115.15 113.12 2qa3 h HIS 289 Ca -0.04 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 2qa3 h HIS 289 Cb 1.34 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.98 2qa3 h HIS 289 CO 0.09 -0.31 -0.06 0.78 -0.00 0.00 0.00 177.93 178.43 2qa3 h GLY 290 N -0.40 0.70 1.50 5.26 0.00 -1.78 -1.35 103.07 107.00 2qa3 h GLY 290 Ca 0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 2qa3 h GLY 290 CO -0.14 0.51 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 2qa3 h ALA 291 N 0.83 1.11 -0.57 3.60 0.00 -1.66 -1.60 119.26 120.97 2qa3 h ALA 291 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qa3 h ALA 291 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2qa3 h ALA 291 CO 0.03 0.55 0.34 0.77 0.00 0.00 0.00 179.25 180.94 2qa3 h SER 292 N 0.53 0.69 -0.21 0.00 0.02 -0.10 0.06 113.55 114.54 2qa3 h SER 292 Ca 0.09 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2qa3 h SER 292 Cb 0.58 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2qa3 h SER 292 CO 0.04 0.55 -0.04 0.58 -1.14 0.00 0.00 176.83 176.82 2qa3 h VAL 293 N 0.77 0.81 -0.13 2.27 2.07 -0.86 0.16 116.25 121.33 2qa3 h VAL 293 Ca 0.20 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2qa3 h VAL 293 Cb -0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2qa3 h VAL 293 CO -0.04 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.22 2qa3 h VAL 294 N 0.02 1.06 -0.53 2.57 2.07 -0.95 -1.21 116.25 119.29 2qa3 h VAL 294 Ca 0.10 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2qa3 h VAL 294 Cb 0.15 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2qa3 h VAL 294 CO -0.20 0.05 0.32 0.00 0.02 0.00 0.00 177.57 177.76 2qa3 h ALA 295 N 1.02 0.67 -0.69 1.67 0.00 -0.80 0.51 119.26 121.64 2qa3 h ALA 295 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qa3 h ALA 295 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2qa3 h ALA 295 CO -0.01 0.16 0.42 1.15 0.00 0.00 0.00 179.25 180.97 2qa3 h THR 296 N 0.71 1.05 0.08 0.00 2.02 -0.44 -1.87 112.91 114.46 2qa3 h THR 296 Ca 0.19 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2qa3 h THR 296 Cb -0.01 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2qa3 h THR 296 CO -0.04 0.15 -0.04 0.40 0.37 0.00 0.00 175.52 176.36 2qa3 h ILE 297 N 0.81 1.17 0.00 3.11 2.04 -0.89 -3.15 117.51 120.61 2qa3 h ILE 297 Ca 0.29 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 2qa3 h ILE 297 Cb 0.08 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2qa3 h ILE 297 CO -0.13 0.26 -0.21 -0.07 0.00 0.00 0.00 178.15 178.00 2qa3 h LEU 298 N -0.62 0.00 -1.80 1.44 3.38 -0.78 -2.33 115.31 114.58 2qa3 h LEU 298 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qa3 h LEU 298 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qa3 h LEU 298 CO 0.02 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 2qa3 n SER 299 N -4.20 2.70 -4.11 -0.43 3.41 -0.71 -4.82 113.62 105.45 2qa3 n SER 299 Ca -0.02 -1.89 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 2qa3 n SER 299 Cb 0.27 -0.20 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 2qa3 n SER 299 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qa3 s ASN 300 N -1.49 2.91 0.21 4.04 3.84 -0.91 -5.03 114.94 118.51 2qa3 s ASN 300 Ca 0.36 -0.56 -0.10 0.00 0.21 0.00 0.00 52.86 52.77 2qa3 s ASN 300 Cb 0.20 -1.34 0.19 0.00 -0.55 0.00 0.00 41.25 39.76 2qa3 s ASN 300 CO 0.29 0.03 1.85 0.44 -2.79 0.00 0.00 177.10 176.92 2qa3 h ASP 301 N 7.59 0.73 0.30 -4.21 3.45 -1.88 0.38 116.42 122.79 2qa3 h ASP 301 Ca -0.36 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 2qa3 h ASP 301 Cb 1.17 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 2qa3 h ASP 301 CO 0.56 0.51 -0.15 0.00 -1.57 0.00 0.00 179.24 178.59 2qa3 h ALA 302 N 1.30 -0.41 -0.72 3.45 0.00 -1.96 -1.70 119.26 119.22 2qa3 h ALA 302 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qa3 h ALA 302 Cb 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qa3 h ALA 302 CO -0.11 -0.58 0.42 -0.07 0.00 0.00 0.00 179.25 178.91 2qa3 h LEU 303 N -0.70 0.88 -1.21 0.00 3.38 -1.79 -2.32 115.31 113.55 2qa3 h LEU 303 Ca -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2qa3 h LEU 303 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2qa3 h LEU 303 CO 0.07 0.70 0.23 -0.09 0.09 0.00 0.00 178.44 179.44 2qa3 h ARG 304 N 0.99 0.79 -0.48 1.13 2.43 -0.56 -0.35 114.38 118.32 2qa3 h ARG 304 Ca 0.26 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2qa3 h ARG 304 Cb -0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2qa3 h ARG 304 CO -0.05 0.63 0.14 0.00 -1.51 0.00 0.00 179.97 179.19 2qa3 h ALA 305 N 1.48 0.63 -0.32 2.80 0.00 -0.94 0.89 119.26 123.81 2qa3 h ALA 305 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qa3 h ALA 305 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qa3 h ALA 305 CO -0.02 0.30 0.13 0.82 0.00 0.00 0.00 179.25 180.47 2qa3 h ILE 306 N 0.65 1.18 -0.12 0.00 2.04 -1.05 -2.22 117.51 117.99 2qa3 h ILE 306 Ca 0.16 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2qa3 h ILE 306 Cb 0.28 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2qa3 h ILE 306 CO -0.00 0.20 0.06 -0.25 0.00 0.00 0.00 178.15 178.15 2qa3 h TRP 307 N 0.37 0.17 -0.93 1.37 7.01 -0.86 -0.96 115.95 122.13 2qa3 h TRP 307 Ca 0.11 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.18 2qa3 h TRP 307 Cb 0.19 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.13 2qa3 h TRP 307 CO -0.00 0.21 0.60 0.93 -2.79 0.00 0.00 178.44 177.39 2qa3 h GLU 308 N 0.08 0.97 -0.37 2.65 5.08 -0.75 0.11 114.58 122.35 2qa3 h GLU 308 Ca 0.04 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2qa3 h GLU 308 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2qa3 h GLU 308 CO -0.01 0.64 -0.37 0.37 -1.00 0.00 0.00 179.01 178.65 2qa3 h GLN 309 N 1.00 0.88 -0.88 2.33 5.75 -1.07 0.08 115.11 123.20 2qa3 h GLN 309 Ca 0.42 -0.45 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2qa3 h GLN 309 Cb 0.29 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 2qa3 h GLN 309 CO -0.17 1.10 0.53 0.93 -2.65 0.00 0.00 178.83 178.57 2qa3 h GLU 310 N 0.72 1.19 -0.33 1.69 5.08 0.01 0.13 114.58 123.08 2qa3 h GLU 310 Ca 0.06 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2qa3 h GLU 310 Cb 0.95 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2qa3 h GLU 310 CO 0.09 0.84 -0.00 1.25 -1.00 0.00 0.00 179.01 180.18 2qa3 h LEU 311 N 1.21 0.57 -0.51 1.33 5.85 -0.63 -1.91 115.31 121.21 2qa3 h LEU 311 Ca 0.32 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2qa3 h LEU 311 Cb -0.05 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2qa3 h LEU 311 CO -0.06 0.74 0.21 0.74 -0.34 0.00 0.00 178.44 179.73 2qa3 h THR 312 N 0.38 0.86 -0.79 1.05 2.02 -0.67 -0.84 112.91 114.93 2qa3 h THR 312 Ca 0.09 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.22 2qa3 h THR 312 Cb 0.45 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 2qa3 h THR 312 CO 0.02 0.07 0.45 0.44 0.37 0.00 0.00 175.52 176.87 2qa3 h ASP 313 N 0.40 0.66 -0.02 4.18 3.32 -0.53 0.93 116.42 125.36 2qa3 h ASP 313 Ca 0.24 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2qa3 h ASP 313 Cb 0.24 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2qa3 h ASP 313 CO -0.23 0.40 0.00 0.24 -1.72 0.00 0.00 179.24 177.93 2qa3 h MET 314 N 0.79 0.03 -0.40 3.56 2.86 -0.74 -0.39 114.93 120.64 2qa3 h MET 314 Ca 0.37 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.06 2qa3 h MET 314 Cb 0.29 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 2qa3 h MET 314 CO -0.22 0.25 0.10 -0.09 1.06 0.00 0.00 176.91 178.01 2qa3 h ARG 315 N -0.19 0.22 -0.59 1.72 2.43 -0.86 -1.54 114.38 115.57 2qa3 h ARG 315 Ca 0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2qa3 h ARG 315 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2qa3 h ARG 315 CO 0.00 0.15 -0.01 1.96 -1.51 0.00 0.00 179.97 180.56 2qa3 h GLN 316 N 0.23 1.04 -0.84 0.20 4.20 -0.77 -1.89 115.11 117.29 2qa3 h GLN 316 Ca 0.19 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2qa3 h GLN 316 Cb 0.21 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2qa3 h GLN 316 CO -0.23 1.02 0.43 -0.09 -0.67 0.00 0.00 178.83 179.28 2qa3 h ARG 317 N 0.95 1.19 -0.44 1.46 2.43 -0.72 -0.40 114.38 118.84 2qa3 h ARG 317 Ca 0.17 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2qa3 h ARG 317 Cb 0.56 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2qa3 h ARG 317 CO 0.03 0.89 0.21 0.82 -1.51 0.00 0.00 179.97 180.42 2qa3 h ILE 318 N 1.18 1.18 -0.82 1.20 2.04 -1.04 -0.58 117.51 120.67 2qa3 h ILE 318 Ca 0.29 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2qa3 h ILE 318 Cb 0.08 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2qa3 h ILE 318 CO -0.04 0.20 0.45 -0.61 0.00 0.00 0.00 178.15 178.15 2qa3 h GLN 319 N 0.57 1.14 -0.82 2.37 5.75 -0.86 -0.29 115.11 122.99 2qa3 h GLN 319 Ca 0.15 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2qa3 h GLN 319 Cb 0.11 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2qa3 h GLN 319 CO -0.02 0.84 0.35 0.00 -2.65 0.00 0.00 178.83 177.34 2qa3 h ARG 320 N 1.14 1.21 -0.43 1.69 3.08 -0.75 -1.49 114.38 118.84 2qa3 h ARG 320 Ca 0.29 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2qa3 h ARG 320 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2qa3 h ARG 320 CO -0.05 0.96 -0.15 0.52 -1.07 0.00 0.00 179.97 180.18 2qa3 h MET 321 N 1.18 0.80 -0.36 0.04 2.86 -0.48 0.41 114.93 119.38 2qa3 h MET 321 Ca 0.27 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2qa3 h MET 321 Cb 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2qa3 h MET 321 CO -0.03 0.90 0.18 0.00 1.06 0.00 0.00 176.91 179.02 2qa3 h ARG 322 N 0.71 0.36 -0.30 1.72 3.08 -0.65 0.16 114.38 119.47 2qa3 h ARG 322 Ca 0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2qa3 h ARG 322 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2qa3 h ARG 322 CO 0.05 0.24 0.05 0.37 -1.07 0.00 0.00 179.97 179.61 2qa3 h GLN 323 N 0.37 0.49 -0.62 0.04 5.75 -1.10 -2.35 115.11 117.70 2qa3 h GLN 323 Ca 0.15 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2qa3 h GLN 323 Cb 0.06 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2qa3 h GLN 323 CO -0.10 0.59 0.10 1.25 -2.65 0.00 0.00 178.83 178.02 2qa3 h LEU 324 N 0.32 0.96 0.19 -2.39 5.85 -0.74 -0.99 115.31 118.50 2qa3 h LEU 324 Ca 0.09 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2qa3 h LEU 324 Cb 0.34 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2qa3 h LEU 324 CO 0.01 0.95 -0.21 0.15 -0.34 0.00 0.00 178.44 179.00 2qa3 h PHE 325 N 0.94 -0.55 -0.09 1.25 3.57 -0.59 0.13 116.94 121.61 2qa3 h PHE 325 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2qa3 h PHE 325 Cb 0.41 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 2qa3 h PHE 325 CO 0.03 -0.31 0.06 0.28 -2.23 0.00 0.00 178.31 176.13 2qa3 h VAL 326 N -0.44 1.04 -0.53 1.41 2.07 -1.18 -0.91 116.25 117.70 2qa3 h VAL 326 Ca 0.00 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2qa3 h VAL 326 Cb 0.42 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2qa3 h VAL 326 CO -0.06 0.04 0.30 0.78 0.02 0.00 0.00 177.57 178.65 2qa3 h ASN 327 N 0.10 0.46 -0.04 0.57 2.35 -1.11 -2.40 115.58 115.51 2qa3 h ASN 327 Ca 0.03 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2qa3 h ASN 327 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2qa3 h ASN 327 CO -0.01 0.32 -0.51 0.74 -1.65 0.00 0.00 177.43 176.32 2qa3 h THR 328 N 0.59 1.31 -0.74 2.81 2.02 -0.78 -1.16 112.91 116.96 2qa3 h THR 328 Ca 0.22 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2qa3 h THR 328 Cb 0.08 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2qa3 h THR 328 CO -0.13 0.54 0.46 -0.07 0.37 0.00 0.00 175.52 176.70 2qa3 h LEU 329 N 0.48 0.87 -0.35 2.58 3.38 -1.08 0.16 115.31 121.35 2qa3 h LEU 329 Ca 0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2qa3 h LEU 329 Cb 1.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2qa3 h LEU 329 CO 0.10 0.66 0.10 -0.61 0.09 0.00 0.00 178.44 178.78 2qa3 h GLN 330 N 1.00 0.55 0.00 1.13 4.15 -1.13 -1.39 115.11 119.42 2qa3 h GLN 330 Ca 0.27 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2qa3 h GLN 330 Cb -0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2qa3 h GLN 330 CO -0.05 0.58 -0.20 0.93 -1.93 0.00 0.00 178.83 178.16 2qa3 h GLU 331 N 0.42 0.00 -0.23 1.69 5.08 -0.90 -2.13 114.58 118.51 2qa3 h GLU 331 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2qa3 h GLU 331 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2qa3 h GLU 331 CO -0.00 0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.84 2qa3 n LYS 332 N -4.18 1.71 -1.22 2.33 4.76 0.54 -4.93 118.16 117.17 2qa3 n LYS 332 Ca -0.02 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 2qa3 n LYS 332 Cb 0.27 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2qa3 n LYS 332 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qa3 n GLY 333 N 1.07 0.93 0.24 0.72 0.00 -0.80 -4.94 105.19 102.41 2qa3 n GLY 333 Ca 0.14 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 2qa3 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa3 h ALA 334 N 0.00 1.16 0.00 4.61 0.00 -1.42 -3.46 119.26 120.15 2qa3 h ALA 334 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qa3 h ALA 334 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qa3 h ALA 334 CO 0.00 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.87 2qa3 n ASN 335 N -4.16 0.00 -4.54 0.00 3.02 -1.26 -4.92 115.26 103.41 2qa3 n ASN 335 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2qa3 n ASN 335 Cb 0.37 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.59 2qa3 n ASN 335 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qa3 n ARG 336 N 0.00 0.67 -2.70 3.52 1.74 -1.26 -4.92 116.66 113.70 2qa3 n ARG 336 Ca 0.00 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.92 2qa3 n ARG 336 Cb 0.00 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 2qa3 n ARG 336 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2qa3 s ASP 337 N -1.23 6.42 0.00 0.55 3.68 -1.26 -4.82 116.67 120.00 2qa3 s ASP 337 Ca 0.72 -0.06 0.15 0.00 2.13 0.00 0.00 52.55 55.50 2qa3 s ASP 337 Cb -0.43 -2.50 0.27 0.00 -1.45 0.00 0.00 42.92 38.81 2qa3 s ASP 337 CO 0.51 -1.34 1.17 0.49 0.13 0.00 0.00 175.17 176.12 2qa3 n PHE 338 N 7.94 0.31 0.32 -5.34 3.01 -1.26 -4.69 117.46 117.75 2qa3 n PHE 338 Ca 0.06 -0.24 0.21 0.00 1.01 0.00 0.00 57.45 58.49 2qa3 n PHE 338 Cb 0.48 -0.01 1.10 0.00 -0.01 0.00 0.00 39.48 41.04 2qa3 n PHE 338 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2qa3 h SER 339 N 2.96 0.00 -0.18 4.37 4.64 -1.93 -1.75 113.55 121.66 2qa3 h SER 339 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2qa3 h SER 339 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2qa3 h SER 339 CO 0.00 0.00 0.13 2.19 -0.87 0.00 0.00 176.83 178.28 2qa3 h PHE 340 N 0.00 0.02 -0.49 4.77 -5.15 -1.96 -2.11 116.94 112.01 2qa3 h PHE 340 Ca 0.00 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.82 2qa3 h PHE 340 Cb 0.11 -0.01 -0.03 0.00 0.22 0.00 0.00 35.95 36.24 2qa3 h PHE 340 CO 0.00 0.01 0.33 0.82 -2.00 0.00 0.00 178.31 177.47 2qa3 h ILE 341 N 0.02 1.01 -0.16 0.88 2.04 -1.70 -1.32 117.51 118.27 2qa3 h ILE 341 Ca 0.09 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2qa3 h ILE 341 Cb 0.33 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2qa3 h ILE 341 CO -0.00 0.09 0.07 0.40 0.00 0.00 0.00 178.15 178.71 2qa3 h ILE 342 N 0.48 1.06 0.00 -0.67 2.04 -1.59 -2.74 117.51 116.09 2qa3 h ILE 342 Ca 0.21 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2qa3 h ILE 342 Cb 0.22 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2qa3 h ILE 342 CO -0.05 0.07 -0.65 0.29 0.00 0.00 0.00 178.15 177.80 2qa3 n LYS 343 N -4.48 0.07 -1.81 2.37 5.02 -0.51 -4.91 118.16 113.92 2qa3 n LYS 343 Ca -0.01 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2qa3 n LYS 343 Cb 0.10 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 2qa3 n LYS 343 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qa3 s GLN 344 N -3.04 3.42 -0.12 1.97 -0.21 -1.04 -5.01 119.66 115.64 2qa3 s GLN 344 Ca 0.09 0.78 0.03 0.00 0.02 0.00 0.00 55.36 56.28 2qa3 s GLN 344 Cb 0.16 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 32.12 2qa3 s GLN 344 CO 0.74 -0.70 -0.22 -0.80 -2.12 0.00 0.00 175.29 172.18 2qa3 s ASN 345 N -4.10 3.21 0.00 5.90 0.01 0.14 -5.02 114.94 115.07 2qa3 s ASN 345 Ca 0.56 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2qa3 s ASN 345 Cb -0.12 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.10 2qa3 s ASN 345 CO 0.54 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.87 2qa3 n GLY 346 N 3.74 -1.36 0.15 0.66 0.00 -1.24 -4.33 105.19 102.81 2qa3 n GLY 346 Ca -0.19 -2.08 0.02 0.00 0.00 0.00 0.00 46.02 43.77 2qa3 n GLY 346 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qa3 h MET 347 N 0.28 0.00 -6.31 1.61 2.86 -1.92 -3.46 114.93 107.98 2qa3 h MET 347 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 2qa3 h MET 347 Cb 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.46 2qa3 h MET 347 CO 0.00 0.54 -0.73 -0.06 1.06 0.00 0.00 176.91 177.72 2qa3 s PHE 348 N -3.35 2.81 0.03 -0.22 0.08 -1.26 0.18 117.98 116.24 2qa3 s PHE 348 Ca 0.01 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.91 2qa3 s PHE 348 Cb 0.11 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2qa3 s PHE 348 CO 0.73 0.30 0.11 -1.12 -0.10 0.00 0.00 175.22 175.15 2qa3 s SER 349 N -1.12 0.13 -0.01 1.36 0.01 -0.92 -3.11 113.70 110.05 2qa3 s SER 349 Ca 0.14 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 2qa3 s SER 349 Cb -0.11 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2qa3 s SER 349 CO 0.04 -0.49 1.13 -0.36 0.41 0.00 0.00 173.24 173.98 2qa3 s PHE 350 N -2.37 3.41 -0.38 2.43 0.08 -1.25 -0.40 117.98 119.50 2qa3 s PHE 350 Ca -0.07 1.39 0.26 0.00 0.12 0.00 0.00 56.93 58.64 2qa3 s PHE 350 Cb -0.02 -3.33 0.80 0.00 -0.57 0.00 0.00 43.02 39.90 2qa3 s PHE 350 CO -0.03 -0.90 1.76 0.66 -0.10 0.00 0.00 175.22 176.60 2qa3 h SER 351 N 7.05 0.00 0.00 1.36 4.64 -1.11 -3.47 113.55 122.02 2qa3 h SER 351 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qa3 h SER 351 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qa3 h SER 351 CO 0.83 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2qa3 n GLY 352 N 0.72 1.02 3.78 -0.77 0.00 -1.26 -5.06 105.19 103.62 2qa3 n GLY 352 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2qa3 n GLY 352 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa3 s LEU 353 N 0.00 4.14 0.76 0.99 1.43 -1.26 -5.06 118.68 119.68 2qa3 s LEU 353 Ca 0.00 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 2qa3 s LEU 353 Cb 0.00 -4.15 0.05 0.00 0.03 0.00 0.00 46.19 42.12 2qa3 s LEU 353 CO 0.00 -0.59 1.14 0.42 0.23 0.00 0.00 176.35 177.54 2qa3 s THR 354 N -1.58 2.74 0.41 5.49 -4.23 -1.26 -4.25 115.64 112.96 2qa3 s THR 354 Ca 0.58 0.24 0.10 0.00 -1.18 0.00 0.00 61.69 61.44 2qa3 s THR 354 Cb -0.25 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.67 2qa3 s THR 354 CO 0.31 -0.32 2.01 0.07 -0.54 0.00 0.00 174.62 176.15 2qa3 h LYS 355 N -0.88 0.50 0.01 3.99 2.10 -1.93 -0.46 116.57 119.90 2qa3 h LYS 355 Ca -0.46 -0.03 -0.25 0.00 -2.00 0.00 0.00 60.65 57.91 2qa3 h LYS 355 Cb 1.29 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2qa3 h LYS 355 CO 0.65 0.33 -1.01 0.93 -2.00 0.00 0.00 179.45 178.35 2qa3 h GLU 356 N 0.52 0.56 -0.92 0.07 3.07 -1.92 -1.23 114.58 114.73 2qa3 h GLU 356 Ca 0.23 -0.62 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2qa3 h GLU 356 Cb 0.26 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2qa3 h GLU 356 CO -0.06 1.23 0.57 1.96 -1.40 0.00 0.00 179.01 181.30 2qa3 h GLN 357 N 0.31 1.24 -0.27 2.33 4.20 -1.80 0.76 115.11 121.88 2qa3 h GLN 357 Ca -0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2qa3 h GLN 357 Cb 1.66 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2qa3 h GLN 357 CO 0.19 0.86 0.09 0.28 -0.67 0.00 0.00 178.83 179.58 2qa3 h VAL 358 N 1.26 1.19 -0.47 -0.54 2.07 -0.96 0.19 116.25 119.00 2qa3 h VAL 358 Ca 0.33 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2qa3 h VAL 358 Cb -0.08 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2qa3 h VAL 358 CO -0.06 0.20 0.20 0.25 0.02 0.00 0.00 177.57 178.17 2qa3 h LEU 359 N 0.28 0.24 -0.70 2.57 5.85 -1.01 -1.87 115.31 120.68 2qa3 h LEU 359 Ca 0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qa3 h LEU 359 Cb 0.22 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2qa3 h LEU 359 CO -0.00 0.17 0.45 -0.09 -0.34 0.00 0.00 178.44 178.63 2qa3 h ARG 360 N 0.39 0.94 -0.58 1.25 2.43 -0.46 -0.17 114.38 118.19 2qa3 h ARG 360 Ca 0.22 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2qa3 h ARG 360 Cb 0.18 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2qa3 h ARG 360 CO -0.19 0.64 0.24 -0.07 -1.51 0.00 0.00 179.97 179.08 2qa3 h LEU 361 N 0.95 0.27 0.15 3.80 3.38 -0.17 0.17 115.31 123.87 2qa3 h LEU 361 Ca 0.26 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2qa3 h LEU 361 Cb -0.08 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qa3 h LEU 361 CO -0.05 0.17 -0.07 -0.09 0.09 0.00 0.00 178.44 178.49 2qa3 h ARG 362 N 0.44 -0.19 -0.29 1.13 2.43 -0.62 -1.32 114.38 115.96 2qa3 h ARG 362 Ca 0.28 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2qa3 h ARG 362 Cb 0.30 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2qa3 h ARG 362 CO -0.26 0.12 -0.31 0.93 -1.51 0.00 0.00 179.97 178.94 2qa3 h GLU 363 N -0.51 0.73 0.03 0.20 5.08 -0.77 -1.92 114.58 117.41 2qa3 h GLU 363 Ca -0.02 -0.39 -0.31 0.00 -1.00 0.00 0.00 59.36 57.64 2qa3 h GLU 363 Cb 0.40 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2qa3 h GLU 363 CO 0.03 1.01 -1.80 -1.91 -1.00 0.00 0.00 179.01 175.35 2qa3 n GLU 364 N -4.24 0.66 0.00 2.33 2.13 0.57 -4.60 120.64 117.49 2qa3 n GLU 364 Ca -0.04 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2qa3 n GLU 364 Cb 0.49 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2qa3 n GLU 364 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2qa3 n PHE 365 N -3.12 0.00 -1.89 4.31 3.72 -0.73 -5.02 117.46 114.73 2qa3 n PHE 365 Ca -0.21 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.04 2qa3 n PHE 365 Cb 1.05 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.56 2qa3 n PHE 365 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qa3 n GLY 366 N 0.68 0.62 3.61 1.37 0.00 -0.58 -4.82 105.19 106.07 2qa3 n GLY 366 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2qa3 n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa3 s VAL 367 N -2.68 5.11 -0.26 1.61 1.01 -0.79 -0.64 120.40 123.75 2qa3 s VAL 367 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2qa3 s VAL 367 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2qa3 s VAL 367 CO 0.00 0.34 0.04 -0.31 0.00 0.00 0.00 175.10 175.17 2qa3 s TYR 368 N 1.20 3.07 0.37 5.22 1.51 0.05 -1.88 117.35 126.89 2qa3 s TYR 368 Ca 0.07 -0.80 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 2qa3 s TYR 368 Cb -0.14 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.46 2qa3 s TYR 368 CO 0.05 -0.50 0.06 0.00 -1.11 0.00 0.00 175.55 174.05 2qa3 s ALA 369 N 1.53 2.75 0.72 3.71 0.00 -1.26 0.18 121.76 129.38 2qa3 s ALA 369 Ca 0.05 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 2qa3 s ALA 369 Cb -0.16 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2qa3 s ALA 369 CO 0.01 -0.27 1.07 0.08 0.00 0.00 0.00 175.76 176.65 2qa3 s VAL 370 N -3.17 3.77 0.43 0.00 1.01 -1.15 -4.87 120.40 116.42 2qa3 s VAL 370 Ca 0.31 0.57 0.27 0.00 0.00 0.00 0.00 61.98 63.13 2qa3 s VAL 370 Cb 0.07 -3.31 0.29 0.00 0.00 0.00 0.00 36.38 33.43 2qa3 s VAL 370 CO 0.14 -0.75 2.08 0.00 0.00 0.00 0.00 175.10 176.58 2qa3 h ALA 371 N -0.82 1.34 0.00 5.51 0.00 -1.95 -0.84 119.26 122.50 2qa3 h ALA 371 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qa3 h ALA 371 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qa3 h ALA 371 CO 0.57 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 2qa3 n SER 372 N -3.71 0.00 0.00 0.00 3.41 -1.26 -3.90 113.62 108.16 2qa3 n SER 372 Ca -0.02 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2qa3 n SER 372 Cb 0.22 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2qa3 n SER 372 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qa3 n GLY 373 N 0.93 0.54 3.74 5.00 0.00 -0.32 -4.75 105.19 110.34 2qa3 n GLY 373 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2qa3 n GLY 373 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qa3 s ARG 374 N -0.07 4.39 0.07 1.61 3.52 -1.25 -0.53 118.95 126.69 2qa3 s ARG 374 Ca 0.00 2.04 0.08 0.00 -0.13 0.00 0.00 55.73 57.72 2qa3 s ARG 374 Cb 0.00 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2qa3 s ARG 374 CO 0.00 -0.24 -0.21 0.14 -0.81 0.00 0.00 175.30 174.17 2qa3 s VAL 375 N 0.09 1.75 -0.55 7.11 -7.23 0.46 -2.94 120.40 119.09 2qa3 s VAL 375 Ca 0.56 -1.39 -0.20 0.00 -1.81 0.00 0.00 61.98 59.15 2qa3 s VAL 375 Cb -0.36 -1.55 0.07 0.00 0.56 0.00 0.00 36.38 35.10 2qa3 s VAL 375 CO 0.38 0.10 0.72 0.21 -0.31 0.00 0.00 175.10 176.20 2qa3 s ASN 376 N -1.53 6.22 0.59 4.85 3.04 0.15 -2.17 114.94 126.08 2qa3 s ASN 376 Ca 0.08 -1.00 0.34 0.00 0.04 0.00 0.00 52.86 52.32 2qa3 s ASN 376 Cb -0.09 -2.32 1.82 0.00 -1.54 0.00 0.00 41.25 39.11 2qa3 s ASN 376 CO 0.03 -1.05 2.19 -0.37 -3.04 0.00 0.00 177.10 174.86 2qa3 h VAL 377 N 5.91 0.30 0.00 -5.21 -1.51 -0.60 0.27 116.25 115.41 2qa3 h VAL 377 Ca -0.28 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2qa3 h VAL 377 Cb 1.09 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2qa3 h VAL 377 CO 1.04 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 177.42 2qa3 n ALA 378 N -2.20 1.70 0.69 5.19 0.00 -1.26 -1.49 120.51 123.14 2qa3 n ALA 378 Ca -0.02 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2qa3 n ALA 378 Cb 0.17 -1.36 0.42 0.00 0.00 0.00 0.00 19.45 18.67 2qa3 n ALA 378 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa3 n GLY 379 N 0.07 -1.12 3.87 0.00 0.00 0.09 -3.76 105.19 104.33 2qa3 n GLY 379 Ca 0.03 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2qa3 n GLY 379 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qa3 s MET 380 N -2.94 3.73 0.10 1.61 -1.94 -0.55 -4.84 119.30 114.47 2qa3 s MET 380 Ca 0.10 0.14 0.02 0.00 -1.71 0.00 0.00 55.69 54.24 2qa3 s MET 380 Cb 0.13 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 2qa3 s MET 380 CO 0.34 0.60 -0.07 0.95 -0.01 0.00 0.00 175.02 176.83 2qa3 s THR 381 N -1.33 0.72 0.36 2.05 -4.23 -1.26 -4.93 115.64 107.02 2qa3 s THR 381 Ca 0.30 -1.94 0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2qa3 s THR 381 Cb -0.14 -1.70 0.35 0.00 1.34 0.00 0.00 72.50 72.35 2qa3 s THR 381 CO 0.17 -0.86 1.80 -0.65 -0.54 0.00 0.00 174.62 174.53 2qa3 h PRO 382 N 2.95 0.53 -0.18 3.99 0.11 -1.99 -1.22 132.00 136.20 2qa3 h PRO 382 Ca -0.35 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 2qa3 h PRO 382 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qa3 h PRO 382 CO 0.65 0.35 -0.21 -0.44 -0.21 0.00 0.00 178.00 178.13 2qa3 h ASP 383 N 0.55 0.49 0.35 -2.05 3.32 -1.96 -3.29 116.42 113.83 2qa3 h ASP 383 Ca 0.56 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2qa3 h ASP 383 Cb 1.17 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2qa3 h ASP 383 CO -0.30 0.89 -0.18 -0.46 -1.72 0.00 0.00 179.24 177.47 2qa3 n ASN 384 N -4.45 0.64 -0.06 6.45 2.04 -1.03 -4.44 115.26 114.41 2qa3 n ASN 384 Ca -0.06 -0.61 -0.10 0.00 -0.44 0.00 0.00 54.58 53.36 2qa3 n ASN 384 Cb 0.41 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.63 2qa3 n ASN 384 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 2qa3 h MET 385 N 0.72 0.30 0.33 -3.83 4.05 -1.30 -2.00 114.93 113.20 2qa3 h MET 385 Ca 0.00 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2qa3 h MET 385 Cb 0.42 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2qa3 h MET 385 CO 0.00 0.31 -0.16 0.00 0.23 0.00 0.00 176.91 177.29 2qa3 h ALA 386 N 0.98 -0.45 -0.76 0.39 0.00 -1.80 0.60 119.26 118.22 2qa3 h ALA 386 Ca 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qa3 h ALA 386 Cb 0.10 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2qa3 h ALA 386 CO -0.01 -0.74 0.49 -1.00 0.00 0.00 0.00 179.25 177.99 2qa3 h PRO 387 N -0.47 0.93 -0.30 0.00 0.13 -1.84 0.11 132.00 130.56 2qa3 h PRO 387 Ca -0.05 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.10 2qa3 h PRO 387 Cb 0.36 -0.21 -0.07 0.00 0.13 0.00 0.00 31.00 31.20 2qa3 h PRO 387 CO 0.07 0.62 -0.20 1.25 -0.23 0.00 0.00 178.00 179.52 2qa3 h LEU 388 N 0.96 -0.65 -0.59 1.56 6.46 -1.16 -1.03 115.31 120.86 2qa3 h LEU 388 Ca 0.30 0.13 -0.15 0.00 -0.12 0.00 0.00 57.88 58.04 2qa3 h LEU 388 Cb -0.01 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2qa3 h LEU 388 CO -0.10 -0.23 -0.58 0.00 -0.62 0.00 0.00 178.44 176.91 2qa3 h GLU 390 N 0.29 1.01 -0.13 0.00 5.08 -0.44 -0.76 114.58 119.63 2qa3 h GLU 390 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2qa3 h GLU 390 Cb 1.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2qa3 h GLU 390 CO 0.10 0.73 0.07 0.00 -1.00 0.00 0.00 179.01 178.91 2qa3 h ALA 391 N 1.22 0.17 0.12 3.43 0.00 -0.98 -1.96 119.26 121.25 2qa3 h ALA 391 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qa3 h ALA 391 Cb -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qa3 h ALA 391 CO -0.05 -0.30 -0.08 0.82 0.00 0.00 0.00 179.25 179.65 2qa3 h ILE 392 N 0.11 0.82 -1.01 0.00 2.04 -1.14 -2.19 117.51 116.15 2qa3 h ILE 392 Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 2qa3 h ILE 392 Cb 0.08 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 2qa3 h ILE 392 CO -0.01 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.34 2qa3 h VAL 393 N -0.20 0.78 0.00 1.67 2.07 -1.10 -1.04 116.25 118.44 2qa3 h VAL 393 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2qa3 h VAL 393 Cb 0.17 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2qa3 h VAL 393 CO 0.00 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 177.61 2qa3 h ALA 394 N 1.61 1.53 -0.02 1.67 0.00 -0.71 -2.69 119.26 120.65 2qa3 h ALA 394 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2qa3 h ALA 394 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qa3 h ALA 394 CO -0.34 0.17 -0.24 1.33 0.00 0.00 0.00 179.25 180.17 2qa3 n VAL 395 N -4.01 0.00 0.77 0.00 0.24 -0.42 -5.11 118.33 109.80 2qa3 n VAL 395 Ca -0.02 -0.32 0.06 0.00 -2.04 0.00 0.00 64.34 62.02 2qa3 n VAL 395 Cb 0.22 1.14 0.37 0.00 -1.47 0.00 0.00 33.84 34.10 2qa3 n VAL 395 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87