#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnr s GLU 37 N 0.00 3.48 -0.03 -4.13 2.02 -1.26 -0.56 118.70 118.22 2qnr s GLU 37 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2qnr s GLU 37 Cb 0.00 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.44 2qnr s GLU 37 CO 0.00 0.31 -0.01 0.12 0.02 0.00 0.00 175.26 175.70 2qnr s PHE 38 N 0.16 0.34 -0.17 1.61 5.36 -0.00 -4.99 117.98 120.29 2qnr s PHE 38 Ca -0.03 -0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 55.90 2qnr s PHE 38 Cb -0.14 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 2qnr s PHE 38 CO 0.03 -0.12 -0.08 0.99 -1.46 0.00 0.00 175.22 174.58 2qnr s THR 39 N 0.91 3.30 0.50 0.12 2.01 -1.26 -1.19 115.64 120.03 2qnr s THR 39 Ca -0.09 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2qnr s THR 39 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2qnr s THR 39 CO -0.01 0.48 0.08 -0.22 -0.69 0.00 0.00 174.62 174.26 2qnr s LEU 40 N 0.84 2.49 0.00 4.42 2.96 -0.06 -1.69 118.68 127.64 2qnr s LEU 40 Ca -0.02 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.37 2qnr s LEU 40 Cb -0.15 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2qnr s LEU 40 CO 0.01 -0.83 0.00 0.52 -1.32 0.00 0.00 176.35 174.73 2qnr n VAL 42 N -1.31 0.00 -4.26 1.68 0.31 -0.52 -1.58 118.33 112.66 2qnr n VAL 42 Ca -0.13 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.05 2qnr n VAL 42 Cb 0.66 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.49 2qnr n VAL 42 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qnr s VAL 43 N 0.00 1.03 0.00 2.52 -7.23 -0.83 -0.09 120.40 115.80 2qnr s VAL 43 Ca 0.00 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2qnr s VAL 43 Cb 0.00 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2qnr s VAL 43 CO 0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 2qnr n GLY 44 N -0.24 3.95 3.60 2.32 0.00 -1.10 -1.40 105.19 112.32 2qnr n GLY 44 Ca -0.09 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 2qnr n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qnr n GLU 45 N -1.82 1.05 -1.52 1.61 1.02 -1.26 -1.73 120.64 117.98 2qnr n GLU 45 Ca 0.00 0.39 -0.32 0.00 -0.02 0.00 0.00 57.16 57.21 2qnr n GLU 45 Cb 0.00 -2.08 0.07 0.00 -0.02 0.00 0.00 31.44 29.41 2qnr n GLU 45 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qnr s SER 46 N -1.03 4.76 0.00 1.62 1.04 -1.26 -3.24 113.70 115.60 2qnr s SER 46 Ca 0.70 1.96 0.00 0.00 0.48 0.00 0.00 55.95 59.09 2qnr s SER 46 Cb -0.47 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.11 2qnr s SER 46 CO 0.52 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.49 2qnr n GLY 47 N -0.70 0.57 1.50 7.32 0.00 -1.26 -4.93 105.19 107.68 2qnr n GLY 47 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2qnr n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qnr n LEU 48 N 0.00 4.60 -0.13 0.99 4.77 -1.20 -4.95 117.00 121.09 2qnr n LEU 48 Ca 0.00 -2.43 -0.02 0.00 -0.03 0.00 0.00 56.01 53.53 2qnr n LEU 48 Cb 0.00 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 2qnr n LEU 48 CO 0.00 0.81 -0.02 0.61 -1.33 0.00 0.00 177.39 177.47 2qnr n GLY 49 N 1.04 0.52 0.21 -0.72 0.00 -1.26 -4.37 105.19 100.61 2qnr n GLY 49 Ca 0.25 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2qnr n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qnr h LYS 50 N 0.21 0.65 -0.23 1.61 1.57 -1.92 0.15 116.57 118.61 2qnr h LYS 50 Ca -0.03 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 2qnr h LYS 50 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2qnr h LYS 50 CO 0.05 0.58 -0.20 0.77 -0.57 0.00 0.00 179.45 180.08 2qnr h SER 51 N 0.57 0.58 -0.43 0.86 0.02 -1.99 -1.99 113.55 111.18 2qnr h SER 51 Ca 0.15 -0.46 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2qnr h SER 51 Cb 0.16 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2qnr h SER 51 CO -0.02 0.92 0.29 0.74 -1.14 0.00 0.00 176.83 177.62 2qnr h THR 52 N 0.25 1.01 0.10 -2.27 2.02 -1.90 0.49 112.91 112.61 2qnr h THR 52 Ca 0.04 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2qnr h THR 52 Cb 0.74 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2qnr h THR 52 CO 0.05 0.08 -0.05 0.25 0.37 0.00 0.00 175.52 176.22 2qnr h LEU 53 N 0.42 -0.12 -0.11 2.58 5.85 -0.51 -2.23 115.31 121.19 2qnr h LEU 53 Ca 0.18 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2qnr h LEU 53 Cb 0.19 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2qnr h LEU 53 CO -0.04 0.36 -0.15 0.40 -0.34 0.00 0.00 178.44 178.67 2qnr h ILE 54 N -0.63 0.60 -1.01 4.05 1.08 -0.54 0.33 117.51 121.38 2qnr h ILE 54 Ca -0.01 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.71 2qnr h ILE 54 Cb 0.50 0.60 -0.12 0.00 -3.07 0.00 0.00 36.82 34.74 2qnr h ILE 54 CO 0.02 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 178.88 2qnr h ASN 55 N -0.20 0.63 -0.34 1.72 4.21 -0.10 -2.00 115.58 119.50 2qnr h ASN 55 Ca 0.09 0.13 -0.17 0.00 1.21 0.00 0.00 56.30 57.55 2qnr h ASN 55 Cb 0.32 0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2qnr h ASN 55 CO -0.22 0.10 -0.47 0.28 -1.29 0.00 0.00 177.43 175.82 2qnr h SER 56 N 0.54 1.00 -0.92 5.81 0.02 0.24 1.52 113.55 121.76 2qnr h SER 56 Ca 0.64 -0.50 0.16 0.00 -0.84 0.00 0.00 61.79 61.25 2qnr h SER 56 Cb 1.29 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 2qnr h SER 56 CO -0.44 1.30 0.59 -0.07 -1.14 0.00 0.00 176.83 177.08 2qnr h LEU 57 N 0.72 0.66 0.00 5.07 3.38 -0.41 -3.29 115.31 121.44 2qnr h LEU 57 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qnr h LEU 57 Cb 1.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2qnr h LEU 57 CO 0.11 0.31 -0.72 0.49 0.09 0.00 0.00 178.44 178.73 2qnr n PHE 58 N -4.59 0.00 -2.42 1.13 3.01 -1.15 -5.06 117.46 108.37 2qnr n PHE 58 Ca 0.19 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.58 2qnr n PHE 58 Cb 0.51 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 40.00 2qnr n PHE 58 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2qnr n LEU 59 N -1.37 -3.44 0.00 4.37 -0.00 0.52 -5.09 117.00 111.99 2qnr n LEU 59 Ca -0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 2qnr n LEU 59 Cb 0.03 -1.74 0.00 0.00 -0.00 0.00 0.00 43.42 41.71 2qnr n LEU 59 CO 0.02 0.09 0.00 0.35 -0.00 0.00 0.00 177.39 177.85 2qnr n THR 60 N -2.35 0.00 -1.51 1.47 -2.24 -0.95 -5.03 114.28 103.66 2qnr n THR 60 Ca -0.07 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 2qnr n THR 60 Cb 0.56 0.00 -0.18 0.00 -2.10 0.00 0.00 70.33 68.61 2qnr n THR 60 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2qnr n LYS 74 N -0.07 0.14 -2.27 -0.78 -0.00 -1.26 -4.85 118.16 109.07 2qnr n LYS 74 Ca 0.00 -0.14 -0.43 0.00 -0.00 0.00 0.00 58.31 57.74 2qnr n LYS 74 Cb 0.00 -1.63 -0.02 0.00 -0.00 0.00 0.00 35.03 33.38 2qnr n LYS 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2qnr s ILE 75 N 4.36 3.88 0.00 0.58 1.01 -1.26 -4.79 121.20 124.98 2qnr s ILE 75 Ca 1.25 0.95 0.00 0.00 0.00 0.00 0.00 60.65 62.85 2qnr s ILE 75 Cb -0.76 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 37.70 2qnr s ILE 75 CO 0.46 -0.51 0.10 -1.84 0.00 0.00 0.00 174.94 173.15 2qnr n GLU 76 N 7.77 0.00 -3.76 2.79 0.00 -1.26 -3.45 120.64 122.73 2qnr n GLU 76 Ca 0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 57.16 57.10 2qnr n GLU 76 Cb 0.47 -0.48 -0.13 0.00 0.00 0.00 0.00 31.44 31.30 2qnr n GLU 76 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2qnr s ARG 77 N 0.00 0.20 0.32 3.44 1.04 -1.26 -4.92 118.95 117.77 2qnr s ARG 77 Ca 0.00 0.40 0.06 0.00 -1.04 0.00 0.00 55.73 55.15 2qnr s ARG 77 Cb 0.00 -0.03 0.87 0.00 -2.04 0.00 0.00 34.95 33.75 2qnr s ARG 77 CO 0.00 -0.10 1.58 1.79 -0.04 0.00 0.00 175.30 178.53 2qnr h THR 78 N 5.44 0.04 -0.97 4.99 1.35 -1.97 -2.14 112.91 119.65 2qnr h THR 78 Ca -0.34 -0.01 0.15 0.00 -0.55 0.00 0.00 66.41 65.66 2qnr h THR 78 Cb 1.17 0.02 -0.16 0.00 -1.73 0.00 0.00 68.15 67.45 2qnr h THR 78 CO 0.38 0.00 -0.37 0.55 -0.25 0.00 0.00 175.52 175.84 2qnr n VAL 79 N -5.42 -0.50 0.24 6.82 3.14 -1.26 -1.99 118.33 119.35 2qnr n VAL 79 Ca 0.26 2.28 0.13 0.00 -2.96 0.00 0.00 64.34 64.04 2qnr n VAL 79 Cb 0.86 -3.02 0.49 0.00 -1.06 0.00 0.00 33.84 31.10 2qnr n VAL 79 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2qnr h GLN 80 N 0.00 0.00 -0.19 1.45 1.08 -1.82 -1.85 115.11 113.78 2qnr h GLN 80 Ca 0.35 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.39 2qnr h GLN 80 Cb 0.59 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2qnr h GLN 80 CO -0.97 0.12 -0.54 0.82 -0.95 0.00 0.00 178.83 177.31 2qnr h ILE 81 N 0.00 1.32 -0.08 2.54 1.08 -1.51 -2.62 117.51 118.24 2qnr h ILE 81 Ca -0.00 -1.78 -0.00 0.00 -0.39 0.00 0.00 64.86 62.68 2qnr h ILE 81 Cb 0.72 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 2qnr h ILE 81 CO 0.02 0.56 0.04 1.05 -0.69 0.00 0.00 178.15 179.12 2qnr h GLU 82 N 0.44 0.11 -0.51 2.37 -0.00 -1.22 -2.56 114.58 113.22 2qnr h GLU 82 Ca 0.01 -0.02 0.15 0.00 -0.00 0.00 0.00 59.36 59.50 2qnr h GLU 82 Cb 1.08 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.79 2qnr h GLU 82 CO 0.10 0.20 0.41 0.00 -0.00 0.00 0.00 179.01 179.72 2qnr h ALA 83 N 0.91 2.39 0.00 1.06 0.00 -1.37 0.49 119.26 122.74 2qnr h ALA 83 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qnr h ALA 83 Cb 0.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qnr h ALA 83 CO -0.00 -0.68 0.00 0.77 0.00 0.00 0.00 179.25 179.34 2qnr h SER 84 N 0.00 0.00 -3.21 0.00 0.02 -1.06 -3.46 113.55 105.84 2qnr h SER 84 Ca 0.24 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.63 2qnr h SER 84 Cb 1.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 2qnr h SER 84 CO -0.00 0.00 0.62 0.42 -1.14 0.00 0.00 176.83 176.73 2qnr s THR 85 N -3.21 4.71 -0.02 -2.27 -4.23 0.16 -4.46 115.64 106.33 2qnr s THR 85 Ca 0.08 1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 62.53 2qnr s THR 85 Cb 0.10 -4.28 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 2qnr s THR 85 CO 0.55 -0.03 0.22 0.68 -0.54 0.00 0.00 174.62 175.51 2qnr s VAL 86 N 2.25 5.37 -0.19 2.29 -7.23 0.60 -4.93 120.40 118.56 2qnr s VAL 86 Ca 0.48 0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.73 2qnr s VAL 86 Cb -0.18 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 2qnr s VAL 86 CO 0.16 0.41 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.47 2qnr s GLU 87 N -1.66 3.44 0.13 4.82 4.04 -1.26 -0.78 118.70 127.43 2qnr s GLU 87 Ca 0.25 -0.61 0.08 0.00 0.04 0.00 0.00 54.97 54.72 2qnr s GLU 87 Cb -0.13 -2.93 -0.04 0.00 0.02 0.00 0.00 34.13 31.05 2qnr s GLU 87 CO 0.15 -0.04 -0.18 0.42 -1.84 0.00 0.00 175.26 173.76 2qnr s ILE 88 N 1.07 1.64 -0.21 1.83 1.01 0.23 -5.01 121.20 121.75 2qnr s ILE 88 Ca 0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 2qnr s ILE 88 Cb -0.15 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2qnr s ILE 88 CO -0.00 -0.23 -0.09 -1.61 0.00 0.00 0.00 174.94 173.00 2qnr s GLU 89 N -2.36 3.15 0.00 2.79 8.01 -1.26 -0.50 118.70 128.52 2qnr s GLU 89 Ca 0.10 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.32 2qnr s GLU 89 Cb -0.07 -2.87 0.00 0.00 -4.31 0.00 0.00 34.13 26.87 2qnr s GLU 89 CO 0.05 -0.24 0.23 0.39 0.01 0.00 0.00 175.26 175.69 2qnr n GLU 90 N 4.72 0.00 -1.13 1.61 1.02 -1.26 -5.02 120.64 120.58 2qnr n GLU 90 Ca -0.19 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 2qnr n GLU 90 Cb 0.50 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 2qnr n GLU 90 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qnr n VAL 93 N 0.00 -6.23 -2.48 2.62 0.31 -1.26 -5.13 118.33 106.16 2qnr n VAL 93 Ca 0.00 1.24 -0.42 0.00 -0.01 0.00 0.00 64.34 65.15 2qnr n VAL 93 Cb 0.40 -3.41 -0.02 0.00 -0.91 0.00 0.00 33.84 29.90 2qnr n VAL 93 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qnr s LYS 94 N -2.06 3.41 -0.13 5.55 1.02 0.28 -4.97 119.74 122.83 2qnr s LYS 94 Ca 0.00 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.28 2qnr s LYS 94 Cb 0.00 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 2qnr s LYS 94 CO 0.00 -1.81 0.09 -1.17 -0.92 0.00 0.00 175.35 171.54 2qnr s LEU 95 N 5.52 4.08 -0.09 3.17 2.96 0.34 -0.82 118.68 133.84 2qnr s LEU 95 Ca 0.48 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 2qnr s LEU 95 Cb -0.09 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 2qnr s LEU 95 CO 0.25 0.33 -0.24 -0.13 -1.32 0.00 0.00 176.35 175.24 2qnr s ARG 96 N -0.57 2.93 -0.09 1.98 0.52 -0.33 -0.60 118.95 122.78 2qnr s ARG 96 Ca 0.12 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2qnr s ARG 96 Cb -0.12 -2.26 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 2qnr s ARG 96 CO 0.02 0.21 -0.15 -0.51 0.02 0.00 0.00 175.30 174.90 2qnr s LEU 97 N 0.25 2.64 -0.32 2.53 1.43 0.04 -0.88 118.68 124.38 2qnr s LEU 97 Ca -0.16 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2qnr s LEU 97 Cb -0.17 -1.56 0.11 0.00 0.03 0.00 0.00 46.19 44.59 2qnr s LEU 97 CO 0.08 0.24 0.13 -0.89 0.23 0.00 0.00 176.35 176.14 2qnr s THR 98 N -0.11 0.52 -0.21 5.49 2.01 -0.61 -0.29 115.64 122.44 2qnr s THR 98 Ca -0.02 -1.30 -0.10 0.00 0.31 0.00 0.00 61.69 60.58 2qnr s THR 98 Cb -0.14 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 2qnr s THR 98 CO 0.04 -0.74 0.13 -0.69 -0.69 0.00 0.00 174.62 172.66 2qnr s VAL 99 N 1.63 5.29 -0.16 3.82 1.01 -1.26 -1.43 120.40 129.29 2qnr s VAL 99 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2qnr s VAL 99 Cb -0.18 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2qnr s VAL 99 CO -0.25 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 174.53 2qnr s VAL 100 N 0.64 1.03 0.00 2.92 1.01 0.87 -4.94 120.40 121.93 2qnr s VAL 100 Ca 0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2qnr s VAL 100 Cb -0.12 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2qnr s VAL 100 CO 0.01 0.10 1.36 -1.81 0.00 0.00 0.00 175.10 174.76 2qnr s ASP 101 N 1.66 6.89 0.39 3.32 1.01 -1.26 -2.71 116.67 125.97 2qnr s ASP 101 Ca 0.01 2.08 0.05 0.00 0.71 0.00 0.00 52.55 55.40 2qnr s ASP 101 Cb -0.15 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.21 2qnr s ASP 101 CO -0.08 -0.68 0.55 0.42 0.21 0.00 0.00 175.17 175.59 2qnr s THR 102 N 2.20 3.73 0.00 -1.27 -4.23 -0.71 -4.90 115.64 110.47 2qnr s THR 102 Ca 0.62 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2qnr s THR 102 Cb -0.31 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2qnr s THR 102 CO 0.26 -0.14 0.00 -2.65 -0.54 0.00 0.00 174.62 171.55 2qnr n PRO 103 N -1.81 0.00 0.00 3.99 -0.02 -1.26 -4.03 135.00 131.87 2qnr n PRO 103 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2qnr n PRO 103 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 2qnr n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qnr n ARG 112 N -2.00 0.80 0.22 0.00 5.12 -1.26 -2.98 116.66 116.56 2qnr n ARG 112 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 2qnr n ARG 112 Cb 0.00 -1.45 0.49 0.00 -1.16 0.00 0.00 32.46 30.34 2qnr n ARG 112 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2qnr h ASP 113 N 0.00 0.00 -0.62 0.55 5.19 -2.00 -2.87 116.42 116.67 2qnr h ASP 113 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2qnr h ASP 113 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2qnr h ASP 113 CO 0.00 0.25 0.32 0.00 -3.12 0.00 0.00 179.24 176.70 2qnr h PHE 115 N 0.61 0.99 -0.49 0.00 -1.00 -1.74 -2.58 116.94 112.74 2qnr h PHE 115 Ca 0.28 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.93 2qnr h PHE 115 Cb 0.19 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 2qnr h PHE 115 CO -0.09 0.73 -0.06 0.87 -1.61 0.00 0.00 178.31 178.15 2qnr h LYS 116 N 0.99 0.85 -0.38 1.51 1.57 -1.27 -2.27 116.57 117.58 2qnr h LYS 116 Ca 0.24 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2qnr h LYS 116 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2qnr h LYS 116 CO -0.03 0.89 -0.16 1.15 -0.57 0.00 0.00 179.45 180.73 2qnr h THR 117 N 0.78 1.26 -0.15 -0.16 2.02 -1.08 -0.08 112.91 115.49 2qnr h THR 117 Ca 0.14 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 2qnr h THR 117 Cb 0.55 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2qnr h THR 117 CO 0.03 0.40 0.03 0.40 0.37 0.00 0.00 175.52 176.75 2qnr h ILE 118 N 0.62 1.22 0.30 3.11 2.04 -1.28 0.42 117.51 123.95 2qnr h ILE 118 Ca 0.10 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2qnr h ILE 118 Cb 0.62 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2qnr h ILE 118 CO 0.04 0.21 -0.35 0.40 0.00 0.00 0.00 178.15 178.45 2qnr h ILE 119 N 0.04 0.27 -0.84 -0.67 2.04 -1.22 0.19 117.51 117.32 2qnr h ILE 119 Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 2qnr h ILE 119 Cb 0.30 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 2qnr h ILE 119 CO 0.00 0.00 0.43 0.28 0.00 0.00 0.00 178.15 178.86 2qnr h SER 120 N -0.70 0.53 -0.93 1.72 0.02 -0.91 0.32 113.55 113.61 2qnr h SER 120 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qnr h SER 120 Cb 0.65 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 2qnr h SER 120 CO -0.09 0.24 0.59 0.22 -1.14 0.00 0.00 176.83 176.64 2qnr h TYR 121 N 0.63 1.19 -0.14 3.45 3.20 0.52 -1.27 116.97 124.55 2qnr h TYR 121 Ca 0.45 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.34 2qnr h TYR 121 Cb 0.60 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2qnr h TYR 121 CO -0.09 0.77 0.06 0.82 -1.64 0.00 0.00 178.16 178.08 2qnr h ILE 122 N 1.27 0.98 -0.34 1.81 1.08 0.15 -3.03 117.51 119.42 2qnr h ILE 122 Ca 0.34 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.75 2qnr h ILE 122 Cb -0.10 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2qnr h ILE 122 CO -0.07 0.02 0.17 0.44 -0.69 0.00 0.00 178.15 178.03 2qnr h ASP 123 N 0.13 0.44 -1.07 1.72 3.32 -1.17 -2.66 116.42 117.14 2qnr h ASP 123 Ca 0.06 -0.12 0.29 0.00 0.02 0.00 0.00 57.03 57.28 2qnr h ASP 123 Cb 0.02 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 2qnr h ASP 123 CO -0.05 0.43 0.73 -0.33 -1.72 0.00 0.00 179.24 178.30 2qnr h GLU 124 N 0.42 0.19 0.00 3.56 5.08 -1.11 1.08 114.58 123.80 2qnr h GLU 124 Ca 0.12 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2qnr h GLU 124 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2qnr h GLU 124 CO -0.02 0.13 -0.67 1.96 -1.00 0.00 0.00 179.01 179.42 2qnr h GLN 125 N 0.20 0.00 0.06 2.33 1.08 -1.41 -0.68 115.11 116.69 2qnr h GLN 125 Ca 0.56 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.75 2qnr h GLN 125 Cb 1.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 2qnr h GLN 125 CO -0.15 0.67 -0.03 0.74 -0.95 0.00 0.00 178.83 179.10 2qnr h PHE 126 N 0.00 -0.08 -0.61 2.96 0.05 0.10 -2.95 116.94 116.41 2qnr h PHE 126 Ca -0.01 -0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.91 2qnr h PHE 126 Cb 1.18 0.03 -0.11 0.00 2.00 0.00 0.00 35.95 39.05 2qnr h PHE 126 CO 0.00 0.35 -0.03 0.93 -0.18 0.00 0.00 178.31 179.38 2qnr h GLU 127 N -0.53 0.09 -0.81 1.51 4.39 -0.03 -0.32 114.58 118.87 2qnr h GLU 127 Ca -0.01 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.79 2qnr h GLU 127 Cb 0.46 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 2qnr h GLU 127 CO 0.01 0.06 0.45 0.00 -1.16 0.00 0.00 179.01 178.37 2qnr h ARG 128 N 0.09 0.72 -0.22 2.33 -0.00 -1.15 -0.23 114.38 115.92 2qnr h ARG 128 Ca 0.32 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.98 59.67 2qnr h ARG 128 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.31 2qnr h ARG 128 CO -0.55 0.48 -0.18 -0.92 0.00 0.00 0.00 179.97 178.80 2qnr h TYR 129 N 0.75 0.60 -0.34 3.04 3.20 -1.10 0.01 116.97 123.14 2qnr h TYR 129 Ca 0.40 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 2qnr h TYR 129 Cb 0.40 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2qnr h TYR 129 CO -0.07 0.84 -0.08 1.25 -1.64 0.00 0.00 178.16 178.46 2qnr h LEU 130 N 0.20 0.54 0.02 2.82 5.85 -0.65 0.14 115.31 124.22 2qnr h LEU 130 Ca 0.04 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qnr h LEU 130 Cb 0.72 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2qnr h LEU 130 CO 0.05 0.66 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.06 2qnr h HIS 131 N 0.52 -0.02 -0.87 1.25 2.76 -1.00 -1.86 115.15 115.94 2qnr h HIS 131 Ca 0.10 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2qnr h HIS 131 Cb 0.46 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.36 2qnr h HIS 131 CO 0.02 0.62 0.54 -0.44 -1.30 0.00 0.00 177.93 177.37 2qnr h ASP 132 N -0.69 0.86 0.92 3.26 3.32 -0.79 -1.83 116.42 121.47 2qnr h ASP 132 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qnr h ASP 132 Cb 0.65 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2qnr h ASP 132 CO 0.00 0.55 -0.09 -1.84 -1.72 0.00 0.00 179.24 176.14 2qnr n GLU 133 N -4.61 0.01 0.02 3.56 0.28 0.02 -2.68 120.64 117.25 2qnr n GLU 133 Ca 0.12 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.25 2qnr n GLU 133 Cb 0.17 -1.51 0.26 0.00 1.43 0.00 0.00 31.44 31.79 2qnr n GLU 133 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2qnr n SER 134 N -1.52 0.52 -3.12 -1.84 7.64 -0.70 -4.96 113.62 109.63 2qnr n SER 134 Ca 0.07 -0.04 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 2qnr n SER 134 Cb 0.34 0.14 0.09 0.00 -1.01 0.00 0.00 64.21 63.77 2qnr n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qnr n GLY 135 N 1.44 -0.49 0.09 0.23 0.00 -0.96 -5.04 105.19 100.45 2qnr n GLY 135 Ca 0.05 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 2qnr n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qnr n LEU 136 N 0.00 0.61 -4.34 0.99 4.77 -1.26 -4.73 117.00 113.05 2qnr n LEU 136 Ca 0.09 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 2qnr n LEU 136 Cb 0.30 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2qnr n LEU 136 CO 0.21 0.32 -0.10 0.20 -1.33 0.00 0.00 177.39 176.69 2qnr s ASN 137 N -5.76 5.78 -0.05 -1.43 0.02 -1.26 -4.94 114.94 107.30 2qnr s ASN 137 Ca -0.06 -1.26 0.10 0.00 -1.02 0.00 0.00 52.86 50.62 2qnr s ASN 137 Cb 0.08 -2.04 0.25 0.00 0.02 0.00 0.00 41.25 39.56 2qnr s ASN 137 CO 0.83 -0.50 1.19 0.54 0.02 0.00 0.00 177.10 179.18 2qnr n ARG 138 N 5.01 2.72 0.00 -0.60 1.74 -1.26 -4.88 116.66 119.39 2qnr n ARG 138 Ca -0.11 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 2qnr n ARG 138 Cb 0.44 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2qnr n ARG 138 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qnr n ARG 139 N -0.22 0.00 -3.46 5.56 1.74 -1.26 -3.59 116.66 115.43 2qnr n ARG 139 Ca 0.10 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.53 2qnr n ARG 139 Cb 0.48 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 2qnr n ARG 139 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2qnr s HIS 140 N -2.60 3.39 -0.24 -1.55 2.46 -1.26 -5.02 115.29 110.47 2qnr s HIS 140 Ca 0.00 -1.72 -0.28 0.00 0.47 0.00 0.00 55.06 53.53 2qnr s HIS 140 Cb 0.00 -3.62 0.01 0.00 -0.13 0.00 0.00 32.58 28.84 2qnr s HIS 140 CO 0.00 -1.00 0.98 0.42 -2.47 0.00 0.00 174.74 172.68 2qnr s ILE 141 N 1.29 4.71 -0.35 0.89 1.01 -1.24 -5.02 121.20 122.50 2qnr s ILE 141 Ca 0.06 1.88 -0.26 0.00 0.00 0.00 0.00 60.65 62.33 2qnr s ILE 141 Cb -0.26 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 37.96 2qnr s ILE 141 CO -0.00 -0.17 0.95 -0.63 0.00 0.00 0.00 174.94 175.09 2qnr s ILE 142 N 3.13 4.58 -0.56 2.92 1.01 -1.26 -5.00 121.20 126.02 2qnr s ILE 142 Ca 0.42 1.31 -0.25 0.00 0.00 0.00 0.00 60.65 62.13 2qnr s ILE 142 Cb -0.15 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 38.02 2qnr s ILE 142 CO 0.07 -0.50 1.00 -0.62 0.00 0.00 0.00 174.94 174.88 2qnr s ASP 143 N 1.82 6.36 -0.26 3.58 -1.08 -1.26 -4.83 116.67 120.99 2qnr s ASP 143 Ca 0.39 -0.27 0.12 0.00 -0.52 0.00 0.00 52.55 52.27 2qnr s ASP 143 Cb -0.12 -2.46 0.55 0.00 -1.46 0.00 0.00 42.92 39.43 2qnr s ASP 143 CO 0.18 -1.29 1.51 0.59 0.52 0.00 0.00 175.17 176.68 2qnr n ASN 144 N 7.69 3.33 -4.77 -0.34 3.02 -1.26 -4.84 115.26 118.09 2qnr n ASN 144 Ca 0.03 -3.41 -0.39 0.00 -0.03 0.00 0.00 54.58 50.77 2qnr n ASN 144 Cb 0.48 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 2qnr n ASN 144 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qnr s ARG 145 N -3.06 4.70 -0.18 3.52 0.52 -1.26 -4.77 118.95 118.41 2qnr s ARG 145 Ca 0.45 1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 56.70 2qnr s ARG 145 Cb 0.39 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2qnr s ARG 145 CO 0.05 0.51 1.52 0.08 0.02 0.00 0.00 175.30 177.49 2qnr s VAL 146 N -1.22 3.83 -1.38 3.52 1.01 -1.26 -4.31 120.40 120.59 2qnr s VAL 146 Ca 0.40 0.97 0.25 0.00 0.00 0.00 0.00 61.98 63.60 2qnr s VAL 146 Cb -0.24 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2qnr s VAL 146 CO 0.29 -0.23 1.37 1.41 0.00 0.00 0.00 175.10 177.94 2qnr n HIS 147 N 7.69 0.00 -3.60 5.22 -0.00 -0.68 -4.75 115.22 119.10 2qnr n HIS 147 Ca 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.78 2qnr n HIS 147 Cb 0.45 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 30.23 2qnr n HIS 147 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qnr s PHE 150 N 1.77 3.13 -0.32 0.00 2.99 -1.26 -0.18 117.98 124.11 2qnr s PHE 150 Ca 0.04 0.96 -0.01 0.00 0.00 0.00 0.00 56.93 57.92 2qnr s PHE 150 Cb -0.17 -3.63 0.07 0.00 0.00 0.00 0.00 43.02 39.29 2qnr s PHE 150 CO -0.17 -2.21 0.04 -0.47 -0.00 0.00 0.00 175.22 172.41 2qnr s TYR 151 N 1.59 3.37 -0.12 0.36 6.04 0.14 -1.96 117.35 126.77 2qnr s TYR 151 Ca 0.63 -2.10 -0.27 0.00 0.04 0.00 0.00 57.07 55.37 2qnr s TYR 151 Cb -0.33 -2.38 -0.02 0.00 -1.04 0.00 0.00 41.96 38.19 2qnr s TYR 151 CO 0.29 -0.85 0.88 -0.06 -1.54 0.00 0.00 175.55 174.26 2qnr s PHE 152 N 1.19 3.49 -0.02 4.97 0.40 -0.49 -1.06 117.98 126.46 2qnr s PHE 152 Ca -0.02 1.39 0.03 0.00 -0.60 0.00 0.00 56.93 57.73 2qnr s PHE 152 Cb -0.20 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 2qnr s PHE 152 CO -0.02 -0.18 -0.08 0.42 0.70 0.00 0.00 175.22 176.06 2qnr s ILE 153 N 1.86 3.57 0.21 0.64 1.01 0.46 -4.41 121.20 124.53 2qnr s ILE 153 Ca 0.42 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2qnr s ILE 153 Cb -0.18 -2.51 -0.08 0.00 0.01 0.00 0.00 42.46 39.70 2qnr s ILE 153 CO 0.16 0.47 1.16 -0.55 0.00 0.00 0.00 174.94 176.18 2qnr s SER 154 N -1.17 7.14 0.00 3.58 0.15 -1.26 -1.15 113.70 120.99 2qnr s SER 154 Ca 0.15 2.23 0.18 0.00 0.70 0.00 0.00 55.95 59.21 2qnr s SER 154 Cb -0.11 -2.61 1.05 0.00 -1.71 0.00 0.00 66.02 62.64 2qnr s SER 154 CO 0.05 -0.30 1.50 -0.81 1.20 0.00 0.00 173.24 174.88 2qnr n PRO 155 N 2.14 0.72 0.03 5.44 -0.04 -1.26 -3.26 135.00 138.77 2qnr n PRO 155 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2qnr n PRO 155 Cb 0.45 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2qnr n PRO 155 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2qnr h PHE 156 N 0.00 0.00 -4.13 0.54 0.04 -1.93 -3.47 116.94 107.99 2qnr h PHE 156 Ca 0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2qnr h PHE 156 Cb 0.00 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.29 2qnr h PHE 156 CO 0.00 0.71 0.27 0.20 -0.60 0.00 0.00 178.31 178.89 2qnr s GLY 157 N -4.82 1.62 0.00 -1.45 0.00 -1.20 -4.96 107.32 96.50 2qnr s GLY 157 Ca -0.02 -0.11 0.22 0.00 0.00 0.00 0.00 44.72 44.80 2qnr s GLY 157 CO 0.81 0.36 1.59 1.42 0.00 0.00 0.00 173.10 177.28 2qnr n HIS 158 N -3.78 0.17 0.00 1.90 -0.00 -1.26 -5.01 115.22 107.24 2qnr n HIS 158 Ca 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2qnr n HIS 158 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 2qnr n HIS 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qnr n GLY 159 N 1.11 -0.79 3.82 -1.41 0.00 -1.26 -4.79 105.19 101.86 2qnr n GLY 159 Ca 0.16 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2qnr n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qnr s LEU 160 N 0.00 4.39 0.78 0.99 1.43 -1.26 -4.89 118.68 120.12 2qnr s LEU 160 Ca 0.00 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 2qnr s LEU 160 Cb 0.00 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.92 2qnr s LEU 160 CO 0.00 0.30 1.09 -0.54 0.23 0.00 0.00 176.35 177.43 2qnr s LYS 161 N -0.66 2.27 0.32 1.70 1.02 -1.26 -4.90 119.74 118.23 2qnr s LYS 161 Ca 0.19 0.62 0.26 0.00 0.02 0.00 0.00 55.97 57.06 2qnr s LYS 161 Cb -0.14 -1.94 0.97 0.00 -0.52 0.00 0.00 37.83 36.20 2qnr s LYS 161 CO 0.08 -1.49 1.77 -1.35 -0.92 0.00 0.00 175.35 173.44 2qnr h PRO 162 N -0.99 0.00 0.28 -1.68 0.11 -1.99 -2.58 132.00 125.15 2qnr h PRO 162 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2qnr h PRO 162 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qnr h PRO 162 CO 0.60 0.00 -0.13 1.25 -0.21 0.00 0.00 178.00 179.51 2qnr h LEU 163 N 0.00 -0.31 -0.71 2.35 5.85 -1.99 -1.22 115.31 119.27 2qnr h LEU 163 Ca 0.00 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.66 2qnr h LEU 163 Cb 0.53 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.51 2qnr h LEU 163 CO 0.00 0.08 -0.16 0.44 -0.34 0.00 0.00 178.44 178.45 2qnr h ASP 164 N -0.76 -0.64 0.27 1.25 3.32 -1.89 0.13 116.42 118.11 2qnr h ASP 164 Ca -0.04 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2qnr h ASP 164 Cb 0.50 0.43 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 2qnr h ASP 164 CO 0.06 -0.23 -0.17 0.58 -1.72 0.00 0.00 179.24 177.77 2qnr h VAL 165 N 0.01 0.65 -0.31 -1.35 2.07 -1.36 -2.39 116.25 113.57 2qnr h VAL 165 Ca 0.35 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.83 2qnr h VAL 165 Cb 0.53 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2qnr h VAL 165 CO -0.72 0.00 0.04 0.00 0.02 0.00 0.00 177.57 176.90 2qnr h ALA 166 N 0.30 1.49 0.00 1.67 0.00 -0.78 0.18 119.26 122.12 2qnr h ALA 166 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qnr h ALA 166 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qnr h ALA 166 CO 0.02 0.37 0.00 0.34 0.00 0.00 0.00 179.25 179.99 2qnr n PHE 167 N -4.33 0.00 0.00 0.00 7.35 0.43 -0.70 117.46 120.20 2qnr n PHE 167 Ca 0.01 -0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2qnr n PHE 167 Cb 0.20 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 39.94 2qnr n PHE 167 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2qnr n LYS 169 N 0.32 0.00 -0.02 -4.13 5.02 0.05 -0.69 118.16 118.70 2qnr n LYS 169 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2qnr n LYS 169 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.13 2qnr n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qnr h ALA 170 N 0.00 0.34 -0.01 7.82 0.00 -1.17 -3.34 119.26 122.90 2qnr h ALA 170 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qnr h ALA 170 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qnr h ALA 170 CO 0.00 0.69 -0.67 0.44 0.00 0.00 0.00 179.25 179.71 2qnr n ILE 171 N -3.94 0.00 0.34 0.00 -5.35 0.13 -4.64 119.36 105.91 2qnr n ILE 171 Ca -0.07 -0.17 0.15 0.00 -0.27 0.00 0.00 62.75 62.39 2qnr n ILE 171 Cb 0.74 1.15 0.57 0.00 -1.74 0.00 0.00 39.64 40.36 2qnr n ILE 171 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2qnr h HIS 172 N 1.44 0.00 -0.33 4.28 2.07 -1.80 -1.01 115.15 119.79 2qnr h HIS 172 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qnr h HIS 172 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 2qnr h HIS 172 CO 0.00 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 174.95 2qnr n ASN 173 N -2.73 2.82 -0.00 3.10 3.02 -1.26 -4.44 115.26 115.77 2qnr n ASN 173 Ca 0.02 -1.91 -0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2qnr n ASN 173 Cb 0.30 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 2qnr n ASN 173 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qnr n LYS 174 N 1.07 3.27 -4.20 3.52 5.02 -0.55 -4.62 118.16 121.68 2qnr n LYS 174 Ca 0.18 -0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 2qnr n LYS 174 Cb 0.50 -1.02 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 2qnr n LYS 174 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qnr s VAL 175 N -2.03 0.41 -0.65 -0.18 -7.23 -0.49 -4.85 120.40 105.38 2qnr s VAL 175 Ca -0.00 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 2qnr s VAL 175 Cb 0.00 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.89 2qnr s VAL 175 CO 0.04 -0.45 1.02 0.20 -0.31 0.00 0.00 175.10 175.60 2qnr s ASN 176 N -3.12 6.21 -0.07 4.85 0.01 -1.26 -4.61 114.94 116.94 2qnr s ASN 176 Ca 0.25 -0.75 -0.29 0.00 -0.71 0.00 0.00 52.86 51.35 2qnr s ASN 176 Cb 0.07 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 2qnr s ASN 176 CO 0.03 -1.48 0.98 -0.63 -1.51 0.00 0.00 177.10 174.50 2qnr s ILE 177 N 4.37 4.82 -0.30 0.60 1.01 -1.26 -1.29 121.20 129.15 2qnr s ILE 177 Ca 0.26 2.02 -0.00 0.00 0.00 0.00 0.00 60.65 62.93 2qnr s ILE 177 Cb -0.14 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.09 2qnr s ILE 177 CO 0.13 0.07 -0.00 -0.69 0.00 0.00 0.00 174.94 174.44 2qnr s VAL 178 N 1.64 2.77 0.25 2.92 1.01 0.75 -1.71 120.40 128.03 2qnr s VAL 178 Ca 0.49 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 2qnr s VAL 178 Cb -0.19 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 2qnr s VAL 178 CO 0.21 -0.19 0.78 -2.16 0.00 0.00 0.00 175.10 173.74 2qnr s PRO 179 N 1.18 4.33 -0.04 2.72 0.04 -1.26 0.29 135.00 142.25 2qnr s PRO 179 Ca -0.04 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 2qnr s PRO 179 Cb -0.20 -2.85 0.03 0.00 0.04 0.00 0.00 34.50 31.52 2qnr s PRO 179 CO -0.03 0.36 0.08 0.08 0.04 0.00 0.00 177.00 177.54 2qnr s VAL 180 N -1.55 -0.05 -0.30 -0.36 1.01 -0.22 -3.55 120.40 115.38 2qnr s VAL 180 Ca 0.45 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2qnr s VAL 180 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 2qnr s VAL 180 CO 0.22 0.08 0.63 -0.63 0.00 0.00 0.00 175.10 175.39 2qnr s ILE 181 N 1.04 4.94 0.57 2.22 1.01 0.09 -0.40 121.20 130.67 2qnr s ILE 181 Ca -0.08 0.88 -0.14 0.00 0.00 0.00 0.00 60.65 61.30 2qnr s ILE 181 Cb -0.11 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 2qnr s ILE 181 CO -0.04 -0.12 1.01 0.00 0.00 0.00 0.00 174.94 175.79 2qnr s ALA 182 N 2.59 3.01 -1.30 9.38 0.00 -0.30 -1.96 121.76 133.18 2qnr s ALA 182 Ca 0.25 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 2qnr s ALA 182 Cb -0.15 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 2qnr s ALA 182 CO 0.11 -0.51 0.61 1.63 0.00 0.00 0.00 175.76 177.60 2qnr n LYS 183 N -2.10 -3.36 0.05 0.00 5.02 -1.13 -4.02 118.16 112.62 2qnr n LYS 183 Ca 0.07 0.50 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 2qnr n LYS 183 Cb 0.54 -4.69 0.35 0.00 -0.02 0.00 0.00 35.03 31.20 2qnr n LYS 183 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qnr n ALA 184 N -4.28 1.54 1.45 7.82 0.00 -0.48 -1.69 120.51 124.87 2qnr n ALA 184 Ca -0.25 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.33 2qnr n ALA 184 Cb 0.66 -1.26 0.70 0.00 0.00 0.00 0.00 19.45 19.55 2qnr n ALA 184 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qnr n ASP 185 N -1.79 0.00 -0.45 0.00 5.75 -1.26 -2.01 116.55 116.79 2qnr n ASP 185 Ca 0.02 -0.61 0.14 0.00 -0.01 0.00 0.00 54.79 54.33 2qnr n ASP 185 Cb 0.16 -0.06 0.50 0.00 -1.03 0.00 0.00 41.12 40.69 2qnr n ASP 185 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qnr n THR 186 N -1.06 0.00 -4.92 2.12 -2.24 -0.68 -4.87 114.28 102.62 2qnr n THR 186 Ca 0.17 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 2qnr n THR 186 Cb 0.11 0.49 -0.16 0.00 -2.10 0.00 0.00 70.33 68.66 2qnr n THR 186 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qnr s LEU 187 N -2.07 2.25 0.85 3.22 1.43 -0.85 -5.09 118.68 118.41 2qnr s LEU 187 Ca 0.36 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2qnr s LEU 187 Cb 0.21 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 45.06 2qnr s LEU 187 CO 0.36 0.13 1.12 0.42 0.23 0.00 0.00 176.35 178.61 2qnr s THR 188 N 0.52 2.69 0.34 5.49 -4.23 -1.26 -4.75 115.64 114.44 2qnr s THR 188 Ca -0.13 0.23 0.09 0.00 -1.18 0.00 0.00 61.69 60.70 2qnr s THR 188 Cb -0.17 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.51 2qnr s THR 188 CO 0.05 -0.29 1.81 -0.07 -0.54 0.00 0.00 174.62 175.57 2qnr h LEU 189 N -1.51 0.68 -0.55 4.79 3.38 -1.99 -0.54 115.31 119.56 2qnr h LEU 189 Ca -0.44 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 2qnr h LEU 189 Cb 1.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2qnr h LEU 189 CO 0.47 0.26 0.01 0.50 0.09 0.00 0.00 178.44 179.77 2qnr h LYS 190 N 0.67 0.97 -0.55 1.13 1.63 -2.01 -2.18 116.57 116.24 2qnr h LYS 190 Ca 0.53 -0.31 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 2qnr h LYS 190 Cb 0.95 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 2qnr h LYS 190 CO -0.30 0.97 -0.06 0.93 -3.45 0.00 0.00 179.45 177.55 2qnr h GLU 191 N 0.85 1.01 -0.35 1.90 5.08 -1.70 -2.53 114.58 118.84 2qnr h GLU 191 Ca 0.16 -0.35 0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2qnr h GLU 191 Cb 0.53 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 2qnr h GLU 191 CO 0.03 1.03 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.88 2qnr h ARG 192 N 0.89 -0.02 -0.72 2.33 2.43 -0.89 -1.36 114.38 117.04 2qnr h ARG 192 Ca 0.15 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2qnr h ARG 192 Cb 0.61 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2qnr h ARG 192 CO 0.04 -0.01 0.30 0.93 -1.51 0.00 0.00 179.97 179.71 2qnr h GLU 193 N -0.02 1.07 -0.43 0.20 3.07 -1.17 -0.89 114.58 116.41 2qnr h GLU 193 Ca 0.17 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 2qnr h GLU 193 Cb 0.28 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2qnr h GLU 193 CO -0.37 0.88 -0.27 0.00 -1.40 0.00 0.00 179.01 177.84 2qnr h ARG 194 N 1.03 0.92 -0.20 2.33 3.08 -1.09 -0.97 114.38 119.48 2qnr h ARG 194 Ca 0.24 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 2qnr h ARG 194 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2qnr h ARG 194 CO -0.02 1.07 -0.09 1.25 -1.07 0.00 0.00 179.97 181.11 2qnr h LEU 195 N 0.78 0.43 -0.53 3.04 5.85 -1.19 -0.85 115.31 122.83 2qnr h LEU 195 Ca 0.09 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.51 2qnr h LEU 195 Cb 0.84 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 2qnr h LEU 195 CO 0.07 0.74 0.01 0.11 -0.34 0.00 0.00 178.44 179.03 2qnr h LYS 196 N 0.12 0.13 -0.29 1.25 1.57 -0.94 0.50 116.57 118.90 2qnr h LYS 196 Ca 0.05 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2qnr h LYS 196 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qnr h LYS 196 CO 0.03 0.08 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.56 2qnr h LYS 197 N 0.13 0.66 -0.84 3.15 3.64 -1.13 -1.27 116.57 120.91 2qnr h LYS 197 Ca 0.27 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2qnr h LYS 197 Cb 0.42 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2qnr h LYS 197 CO -0.44 0.92 0.54 -0.09 -2.27 0.00 0.00 179.45 178.12 2qnr h ARG 198 N 0.41 1.04 -0.48 1.90 2.43 -0.76 0.17 114.38 119.08 2qnr h ARG 198 Ca 0.06 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2qnr h ARG 198 Cb 0.76 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2qnr h ARG 198 CO 0.06 0.69 -0.04 0.82 -1.51 0.00 0.00 179.97 179.98 2qnr h ILE 199 N 1.07 1.25 -0.18 1.20 2.04 -0.54 -0.24 117.51 122.11 2qnr h ILE 199 Ca 0.33 -1.09 -0.20 0.00 1.00 0.00 0.00 64.86 64.90 2qnr h ILE 199 Cb -0.02 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2qnr h ILE 199 CO -0.11 0.38 -0.68 -0.07 0.00 0.00 0.00 178.15 177.68 2qnr h LEU 200 N 0.77 0.84 0.18 1.44 3.38 -0.86 -1.87 115.31 119.18 2qnr h LEU 200 Ca 0.14 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2qnr h LEU 200 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qnr h LEU 200 CO 0.03 1.29 -0.09 0.44 0.09 0.00 0.00 178.44 180.20 2qnr h ASP 201 N 0.52 -0.21 -0.47 -0.43 5.19 -0.74 -1.30 116.42 118.98 2qnr h ASP 201 Ca -0.02 -0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.44 2qnr h ASP 201 Cb 1.28 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 2qnr h ASP 201 CO 0.14 -0.10 0.32 -0.33 -3.12 0.00 0.00 179.24 176.15 2qnr h GLU 202 N -0.30 0.26 -0.20 3.56 5.08 -0.99 0.16 114.58 122.16 2qnr h GLU 202 Ca -0.02 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2qnr h GLU 202 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qnr h GLU 202 CO 0.04 0.17 -0.28 0.82 -1.00 0.00 0.00 179.01 178.77 2qnr h ILE 203 N 0.27 1.33 0.46 3.13 2.04 -0.78 -2.25 117.51 121.71 2qnr h ILE 203 Ca 0.22 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2qnr h ILE 203 Cb 0.51 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2qnr h ILE 203 CO -0.04 0.45 -0.42 -0.08 0.00 0.00 0.00 178.15 178.06 2qnr h GLU 204 N 0.20 -0.83 -0.93 2.37 4.57 -0.34 0.22 114.58 119.84 2qnr h GLU 204 Ca 0.02 0.06 0.26 0.00 -1.18 0.00 0.00 59.36 58.51 2qnr h GLU 204 Cb 0.85 0.19 -0.16 0.00 -0.16 0.00 0.00 28.75 29.47 2qnr h GLU 204 CO 0.06 -0.55 0.11 1.49 -1.18 0.00 0.00 179.01 178.94 2qnr h GLU 205 N -0.86 0.07 -0.43 1.92 4.81 -0.72 0.13 114.58 119.50 2qnr h GLU 205 Ca -0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2qnr h GLU 205 Cb 0.74 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2qnr h GLU 205 CO -0.03 0.05 0.00 0.72 -0.73 0.00 0.00 179.01 179.02 2qnr n HIS 206 N -5.39 0.55 -3.85 0.92 8.25 -0.85 -4.98 115.22 109.87 2qnr n HIS 206 Ca 0.22 -0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 57.15 2qnr n HIS 206 Cb 0.73 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.84 2qnr n HIS 206 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qnr n ASN 207 N 1.48 -1.23 -4.72 0.41 3.02 0.46 -4.96 115.26 109.73 2qnr n ASN 207 Ca 0.20 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 2qnr n ASN 207 Cb 0.60 -3.33 -0.04 0.00 -0.61 0.00 0.00 39.78 36.40 2qnr n ASN 207 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qnr s ILE 208 N -3.82 4.86 -0.55 2.41 1.01 -0.59 -5.01 121.20 119.50 2qnr s ILE 208 Ca 0.07 1.78 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 2qnr s ILE 208 Cb -0.03 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 38.38 2qnr s ILE 208 CO 0.87 0.25 0.54 -0.54 0.00 0.00 0.00 174.94 176.05 2qnr s LYS 209 N 0.63 3.00 0.53 2.79 1.02 -1.26 -4.80 119.74 121.64 2qnr s LYS 209 Ca 0.44 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 2qnr s LYS 209 Cb -0.20 -4.29 0.01 0.00 -0.52 0.00 0.00 37.83 32.82 2qnr s LYS 209 CO 0.24 -1.37 0.79 0.96 -0.92 0.00 0.00 175.35 175.05 2qnr s ILE 210 N 1.80 3.60 0.01 2.17 -4.36 -1.26 -4.64 121.20 118.51 2qnr s ILE 210 Ca 0.05 -0.33 -0.31 0.00 -0.26 0.00 0.00 60.65 59.80 2qnr s ILE 210 Cb -0.29 -3.38 -0.09 0.00 1.25 0.00 0.00 42.46 39.95 2qnr s ILE 210 CO 0.04 -0.32 1.98 0.00 0.24 0.00 0.00 174.94 176.88 2qnr n TYR 211 N -2.34 2.46 -3.08 1.37 9.36 -0.69 -4.89 117.16 119.35 2qnr n TYR 211 Ca 0.04 -0.32 -0.42 0.00 3.32 0.00 0.00 57.90 60.51 2qnr n TYR 211 Cb 0.58 -2.79 -0.06 0.00 -0.63 0.00 0.00 39.34 36.44 2qnr n TYR 211 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2qnr s HIS 212 N 4.63 3.09 0.28 2.98 -0.00 -1.26 -4.98 115.29 120.03 2qnr s HIS 212 Ca 0.90 0.19 -0.30 0.00 -0.00 0.00 0.00 55.06 55.85 2qnr s HIS 212 Cb -0.46 -3.32 -0.12 0.00 -0.00 0.00 0.00 32.58 28.68 2qnr s HIS 212 CO 0.43 -0.78 1.63 -0.51 -0.00 0.00 0.00 174.74 175.51 2qnr s LEU 213 N 2.87 4.35 0.99 5.38 1.02 -1.26 -4.95 118.68 127.08 2qnr s LEU 213 Ca 0.25 2.96 -0.11 0.00 0.02 0.00 0.00 54.13 57.25 2qnr s LEU 213 Cb -0.14 -3.63 0.19 0.00 0.02 0.00 0.00 46.19 42.63 2qnr s LEU 213 CO 0.18 -0.94 1.10 -2.84 0.02 0.00 0.00 176.35 173.86 2qnr s PRO 214 N -0.21 0.43 0.68 1.29 0.02 -1.26 -5.11 135.00 130.85 2qnr s PRO 214 Ca 0.66 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2qnr s PRO 214 Cb -0.49 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2qnr s PRO 214 CO 0.45 -2.92 0.00 -0.25 -0.33 0.00 0.00 177.00 173.95 2qnr n ASP 215 N -4.40 0.00 0.00 2.53 9.92 -1.26 -5.09 116.55 118.25 2qnr n ASP 215 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2qnr n ASP 215 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 2qnr n ASP 215 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2qnr n PHE 224 N 1.43 0.00 0.06 1.24 7.35 -1.26 -5.24 117.46 121.05 2qnr n PHE 224 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 2qnr n PHE 224 Cb 0.00 -0.39 -0.03 0.00 0.35 0.00 0.00 39.48 39.41 2qnr n PHE 224 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2qnr h LYS 225 N 0.00 -0.25 0.00 -4.13 1.63 -2.07 -3.34 116.57 108.41 2qnr h LYS 225 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2qnr h LYS 225 Cb 0.00 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2qnr h LYS 225 CO 0.00 -0.10 -0.04 0.93 -3.45 0.00 0.00 179.45 176.80 2qnr h GLU 226 N -1.05 0.00 0.00 1.90 4.39 -2.05 -2.64 114.58 115.13 2qnr h GLU 226 Ca -0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2qnr h GLU 226 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2qnr h GLU 226 CO 0.04 0.04 -0.28 1.96 -1.16 0.00 0.00 179.01 179.61 2qnr h GLN 227 N 0.00 0.00 0.14 2.33 7.50 -2.00 -1.28 115.11 121.80 2qnr h GLN 227 Ca -0.00 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.92 2qnr h GLN 227 Cb 0.20 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.74 2qnr h GLN 227 CO 0.00 0.28 -1.05 1.15 -1.50 0.00 0.00 178.83 177.72 2qnr h THR 228 N 0.00 1.35 0.37 -0.54 2.02 -1.62 -3.04 112.91 111.46 2qnr h THR 228 Ca -0.00 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.66 2qnr h THR 228 Cb 0.70 3.05 -0.02 0.00 -1.74 0.00 0.00 68.15 70.13 2qnr h THR 228 CO 0.04 0.72 -0.39 0.03 0.37 0.00 0.00 175.52 176.29 2qnr h ARG 229 N -0.31 -0.76 0.00 6.66 3.08 -1.55 -1.53 114.38 119.97 2qnr h ARG 229 Ca -0.20 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2qnr h ARG 229 Cb 1.72 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.94 2qnr h ARG 229 CO 0.14 -0.50 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.31 2qnr h LEU 230 N -0.79 0.00 -0.04 3.04 -0.00 -1.39 0.56 115.31 116.69 2qnr h LEU 230 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2qnr h LEU 230 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2qnr h LEU 230 CO -0.08 0.16 -0.20 0.25 -0.00 0.00 0.00 178.44 178.57 2qnr h LEU 231 N 0.00 0.25 -0.75 1.67 5.85 -1.40 -3.06 115.31 117.87 2qnr h LEU 231 Ca -0.00 -0.66 0.06 0.00 0.84 0.00 0.00 57.88 58.12 2qnr h LEU 231 Cb 0.31 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2qnr h LEU 231 CO 0.02 0.87 0.44 0.11 -0.34 0.00 0.00 178.44 179.54 2qnr h LYS 232 N -0.36 0.77 -0.09 1.25 1.57 -0.81 -2.63 116.57 116.28 2qnr h LYS 232 Ca -0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2qnr h LYS 232 Cb 0.87 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2qnr h LYS 232 CO 0.04 0.51 0.13 0.00 -0.57 0.00 0.00 179.45 179.56 2qnr h ALA 233 N 1.38 1.57 0.00 3.86 0.00 -0.88 -1.74 119.26 123.45 2qnr h ALA 233 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2qnr h ALA 233 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qnr h ALA 233 CO -0.19 -0.17 -0.49 0.77 0.00 0.00 0.00 179.25 179.17 2qnr h SER 234 N 0.00 0.00 -3.24 0.00 0.02 -1.36 -3.46 113.55 105.50 2qnr h SER 234 Ca 0.04 -0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2qnr h SER 234 Cb 0.30 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.89 2qnr h SER 234 CO -0.00 0.03 0.80 -0.63 -1.14 0.00 0.00 176.83 175.89 2qnr s ILE 235 N -3.23 2.59 0.15 3.27 1.01 -0.66 -2.99 121.20 121.35 2qnr s ILE 235 Ca 0.05 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 2qnr s ILE 235 Cb 0.10 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 2qnr s ILE 235 CO 0.71 0.07 1.00 -2.16 0.00 0.00 0.00 174.94 174.56 2qnr s PRO 236 N -0.02 4.70 0.27 2.79 0.04 -1.26 -5.00 135.00 136.52 2qnr s PRO 236 Ca 0.62 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 2qnr s PRO 236 Cb -0.43 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.68 2qnr s PRO 236 CO 0.41 0.22 1.39 -0.06 0.04 0.00 0.00 177.00 179.00 2qnr s PHE 237 N -0.27 3.04 -0.28 0.56 0.40 -1.16 -4.62 117.98 115.65 2qnr s PHE 237 Ca 0.47 1.17 -0.07 0.00 -0.60 0.00 0.00 56.93 57.90 2qnr s PHE 237 Cb -0.26 -3.76 -0.00 0.00 0.51 0.00 0.00 43.02 39.51 2qnr s PHE 237 CO 0.32 -2.34 0.08 -1.54 0.70 0.00 0.00 175.22 172.44 2qnr s SER 238 N 0.08 5.12 0.29 1.36 1.04 -1.26 -0.73 113.70 119.60 2qnr s SER 238 Ca 0.56 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.56 2qnr s SER 238 Cb -0.41 -1.90 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 2qnr s SER 238 CO 0.46 -0.13 -0.12 0.68 0.98 0.00 0.00 173.24 175.11 2qnr s VAL 239 N 1.55 2.08 -0.04 5.02 -7.23 -0.83 -0.69 120.40 120.26 2qnr s VAL 239 Ca 0.04 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 57.98 2qnr s VAL 239 Cb -0.16 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.38 2qnr s VAL 239 CO 0.03 -0.34 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.74 2qnr s VAL 240 N -2.74 0.55 0.06 1.32 1.01 -1.26 -1.38 120.40 117.97 2qnr s VAL 240 Ca 0.30 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2qnr s VAL 240 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2qnr s VAL 240 CO 0.13 0.22 -0.09 -0.83 0.00 0.00 0.00 175.10 174.53 2qnr s GLY 241 N 0.71 1.76 -0.13 4.51 0.00 -1.26 -4.74 107.32 108.16 2qnr s GLY 241 Ca -0.10 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 2qnr s GLY 241 CO 0.00 -1.09 0.33 -0.45 0.00 0.00 0.00 173.10 171.89 2qnr s SER 242 N -1.88 -0.37 0.15 1.64 0.15 -1.26 -4.89 113.70 107.23 2qnr s SER 242 Ca 0.20 0.69 -0.05 0.00 0.70 0.00 0.00 55.95 57.48 2qnr s SER 242 Cb -0.11 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2qnr s SER 242 CO 0.11 -0.15 1.39 -0.55 1.20 0.00 0.00 173.24 175.24 2qnr h ASN 243 N 6.49 0.64 -4.04 5.45 -0.00 -1.87 -3.42 115.58 118.82 2qnr h ASN 243 Ca -0.33 -0.42 -0.51 0.00 -0.00 0.00 0.00 56.30 55.03 2qnr h ASN 243 Cb 1.18 -0.19 0.08 0.00 -0.00 0.00 0.00 38.32 39.39 2qnr h ASN 243 CO 0.32 1.19 0.48 -1.58 -0.00 0.00 0.00 177.43 177.84 2qnr s GLN 244 N -3.64 3.47 0.16 4.14 2.00 -1.26 -4.95 119.66 119.57 2qnr s GLN 244 Ca -0.07 1.79 0.06 0.00 -2.00 0.00 0.00 55.36 55.14 2qnr s GLN 244 Cb 0.10 -2.21 -0.04 0.00 0.80 0.00 0.00 33.01 31.66 2qnr s GLN 244 CO 0.86 -0.80 0.06 -0.51 -0.50 0.00 0.00 175.29 174.41 2qnr s LEU 245 N -3.44 3.56 0.07 3.68 1.43 -1.26 -1.83 118.68 120.88 2qnr s LEU 245 Ca 0.69 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 2qnr s LEU 245 Cb -0.29 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2qnr s LEU 245 CO 0.34 0.09 0.38 -0.63 0.23 0.00 0.00 176.35 176.75 2qnr s ILE 246 N -1.71 0.07 -0.39 -0.59 1.01 -1.26 -4.81 121.20 113.52 2qnr s ILE 246 Ca 0.29 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2qnr s ILE 246 Cb -0.10 -1.04 0.13 0.00 0.01 0.00 0.00 42.46 41.46 2qnr s ILE 246 CO 0.21 -0.31 0.20 -1.83 0.00 0.00 0.00 174.94 173.21 2qnr s GLU 247 N -2.97 0.94 0.00 2.79 -1.05 -1.26 -4.71 118.70 112.44 2qnr s GLU 247 Ca -0.02 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 2qnr s GLU 247 Cb 0.00 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 2qnr s GLU 247 CO -0.06 -1.14 0.00 1.55 0.95 0.00 0.00 175.26 176.56 2qnr n VAL 253 N 3.96 -0.63 -2.24 1.83 3.14 -1.26 -5.20 118.33 117.94 2qnr n VAL 253 Ca 0.07 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.04 2qnr n VAL 253 Cb 0.37 -0.63 -0.03 0.00 -1.06 0.00 0.00 33.84 32.49 2qnr n VAL 253 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2qnr s ARG 254 N -3.96 4.42 0.10 1.45 0.52 -1.26 -4.41 118.95 115.81 2qnr s ARG 254 Ca 0.00 2.04 -0.19 0.00 -0.52 0.00 0.00 55.73 57.06 2qnr s ARG 254 Cb 0.00 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.36 2qnr s ARG 254 CO 0.00 -0.18 0.92 0.41 0.02 0.00 0.00 175.30 176.47 2qnr n GLY 255 N 1.92 0.59 2.81 -3.53 0.00 -0.76 -2.19 105.19 104.04 2qnr n GLY 255 Ca 0.04 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 2qnr n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qnr s ARG 256 N -2.03 0.98 -0.23 1.61 0.52 0.05 -4.51 118.95 115.35 2qnr s ARG 256 Ca 0.21 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 54.94 2qnr s ARG 256 Cb -0.02 -1.65 -0.02 0.00 0.52 0.00 0.00 34.95 33.78 2qnr s ARG 256 CO 0.03 -0.42 0.70 -1.17 0.02 0.00 0.00 175.30 174.46 2qnr s LEU 257 N 1.81 4.10 0.25 2.53 2.96 -1.26 -1.30 118.68 127.76 2qnr s LEU 257 Ca 0.02 0.87 0.10 0.00 -0.22 0.00 0.00 54.13 54.91 2qnr s LEU 257 Cb -0.14 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 2qnr s LEU 257 CO -0.07 -0.38 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.16 2qnr s TYR 258 N 2.39 2.51 0.61 5.38 1.51 -0.06 -5.02 117.35 124.68 2qnr s TYR 258 Ca 0.30 -0.27 0.28 0.00 -1.01 0.00 0.00 57.07 56.37 2qnr s TYR 258 Cb -0.16 -1.14 1.45 0.00 -0.11 0.00 0.00 41.96 42.01 2qnr s TYR 258 CO 0.09 0.62 1.86 -1.35 -1.11 0.00 0.00 175.55 175.65 2qnr h PRO 259 N 2.35 0.00 -0.01 -1.71 0.11 -2.06 -2.08 132.00 128.61 2qnr h PRO 259 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qnr h PRO 259 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qnr h PRO 259 CO 0.58 0.00 -0.64 -2.67 -0.21 0.00 0.00 178.00 175.06 2qnr n TRP 260 N -3.45 0.00 0.00 0.65 2.14 -1.26 -5.06 117.44 110.46 2qnr n TRP 260 Ca 0.06 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.63 2qnr n TRP 260 Cb 0.64 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.14 2qnr n TRP 260 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qnr n GLY 261 N 1.36 -0.63 3.17 -1.67 0.00 -0.78 -5.13 105.19 101.51 2qnr n GLY 261 Ca 0.05 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 2qnr n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qnr s VAL 262 N -1.96 2.27 -0.08 1.61 1.01 -1.26 -0.88 120.40 121.12 2qnr s VAL 262 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2qnr s VAL 262 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2qnr s VAL 262 CO 0.00 0.53 0.99 -0.69 0.00 0.00 0.00 175.10 175.93 2qnr s VAL 263 N 1.09 4.82 -0.20 2.92 1.01 -0.42 -4.91 120.40 124.70 2qnr s VAL 263 Ca -0.00 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 2qnr s VAL 263 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2qnr s VAL 263 CO -0.07 0.05 0.07 -1.61 0.00 0.00 0.00 175.10 173.54 2qnr s GLU 264 N 1.73 3.87 0.12 2.72 2.02 -1.26 -0.77 118.70 127.13 2qnr s GLU 264 Ca 0.49 -0.39 -0.15 0.00 0.02 0.00 0.00 54.97 54.94 2qnr s GLU 264 Cb -0.19 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 2qnr s GLU 264 CO 0.20 0.12 1.58 0.28 0.02 0.00 0.00 175.26 177.47 2qnr h VAL 265 N 5.09 1.25 -0.25 2.63 2.07 -1.73 -2.95 116.25 122.36 2qnr h VAL 265 Ca -0.37 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2qnr h VAL 265 Cb 1.17 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2qnr h VAL 265 CO 0.65 0.31 0.00 -0.62 0.02 0.00 0.00 177.57 177.94 2qnr n GLU 266 N -4.50 1.70 -3.14 1.57 1.02 -1.26 -4.36 120.64 111.67 2qnr n GLU 266 Ca -0.01 -1.08 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 2qnr n GLU 266 Cb 0.26 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2qnr n GLU 266 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2qnr s ASN 267 N -1.22 6.34 0.38 1.62 3.84 -1.11 -4.80 114.94 119.99 2qnr s ASN 267 Ca 0.25 -0.18 0.28 0.00 0.21 0.00 0.00 52.86 53.42 2qnr s ASN 267 Cb 0.13 -2.31 1.07 0.00 -0.55 0.00 0.00 41.25 39.59 2qnr s ASN 267 CO 0.19 -0.67 1.82 1.55 -2.79 0.00 0.00 177.10 177.19 2qnr h PRO 268 N 8.69 0.00 -0.27 0.43 0.13 -1.86 -1.16 132.00 137.97 2qnr h PRO 268 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 2qnr h PRO 268 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2qnr h PRO 268 CO 0.85 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.50 2qnr h GLU 269 N 0.00 0.51 -0.21 0.86 4.39 -1.95 -3.29 114.58 114.89 2qnr h GLU 269 Ca 0.00 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 2qnr h GLU 269 Cb 0.51 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2qnr h GLU 269 CO 0.00 0.71 -0.11 0.45 -1.16 0.00 0.00 179.01 178.90 2qnr h HIS 270 N 0.26 0.51 -2.88 4.33 3.86 -1.67 -3.48 115.15 116.08 2qnr h HIS 270 Ca 0.07 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2qnr h HIS 270 Cb 0.52 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2qnr h HIS 270 CO 0.05 0.74 0.31 0.54 0.86 0.00 0.00 177.93 180.43 2qnr s ASN 271 N -6.13 -0.10 -0.07 2.45 2.20 -0.51 -4.93 114.94 107.85 2qnr s ASN 271 Ca -0.14 -0.84 0.17 0.00 -0.94 0.00 0.00 52.86 51.12 2qnr s ASN 271 Cb 0.06 0.74 0.63 0.00 -2.00 0.00 0.00 41.25 40.68 2qnr s ASN 271 CO 0.76 -1.42 1.52 0.47 -2.94 0.00 0.00 177.10 175.49 2qnr n ASP 272 N -0.97 4.07 -0.17 3.54 8.00 0.13 -3.96 116.55 127.20 2qnr n ASP 272 Ca -0.06 -2.29 -0.02 0.00 0.71 0.00 0.00 54.79 53.14 2qnr n ASP 272 Cb 0.60 -0.52 0.06 0.00 -0.02 0.00 0.00 41.12 41.24 2qnr n ASP 272 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2qnr h PHE 273 N 3.70 -0.04 -0.84 1.24 3.57 -1.78 -1.58 116.94 121.21 2qnr h PHE 273 Ca 0.00 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2qnr h PHE 273 Cb 1.20 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 2qnr h PHE 273 CO 0.62 -0.12 0.55 1.25 -2.23 0.00 0.00 178.31 178.37 2qnr h LEU 274 N 0.11 0.60 -0.21 0.59 5.85 -1.77 -1.35 115.31 119.14 2qnr h LEU 274 Ca 0.26 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.80 2qnr h LEU 274 Cb 0.40 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.34 2qnr h LEU 274 CO -0.43 0.32 -0.74 0.11 -0.34 0.00 0.00 178.44 177.35 2qnr h LYS 275 N 0.65 0.76 0.39 1.25 1.57 -1.64 -1.20 116.57 118.34 2qnr h LYS 275 Ca 0.41 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2qnr h LYS 275 Cb 0.67 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2qnr h LYS 275 CO -0.17 1.21 -0.19 1.25 -0.57 0.00 0.00 179.45 180.99 2qnr h LEU 276 N 0.53 -0.44 -0.31 2.94 5.85 -0.51 -2.90 115.31 120.46 2qnr h LEU 276 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qnr h LEU 276 Cb 1.36 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2qnr h LEU 276 CO 0.15 -0.30 0.20 -0.09 -0.34 0.00 0.00 178.44 178.07 2qnr h ARG 277 N -0.55 0.41 -0.74 1.25 2.43 -1.41 0.16 114.38 115.93 2qnr h ARG 277 Ca -0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2qnr h ARG 277 Cb 0.42 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2qnr h ARG 277 CO 0.09 0.29 0.00 2.41 -1.51 0.00 0.00 179.97 181.25 2qnr n THR 278 N -4.86 0.05 0.00 0.20 -1.04 -0.46 -0.62 114.28 107.55 2qnr n THR 278 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2qnr n THR 278 Cb 0.03 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 2qnr n THR 278 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2qnr n LEU 280 N 0.61 0.00 -0.34 -4.42 7.94 0.57 -1.11 117.00 120.24 2qnr n LEU 280 Ca 0.00 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.11 2qnr n LEU 280 Cb 0.04 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.43 2qnr n LEU 280 CO 0.00 0.00 1.14 0.40 -1.11 0.00 0.00 177.39 177.82 2qnr h ILE 281 N 0.00 0.41 0.00 1.96 2.04 -1.11 -2.00 117.51 118.81 2qnr h ILE 281 Ca 0.00 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 2qnr h ILE 281 Cb 0.00 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 35.98 2qnr h ILE 281 CO 0.00 0.08 -1.08 0.74 0.00 0.00 0.00 178.15 177.90 2qnr h THR 282 N 0.45 0.79 -3.32 -0.27 2.02 -1.34 -3.45 112.91 107.78 2qnr h THR 282 Ca 0.69 -2.28 -0.70 0.00 0.77 0.00 0.00 66.41 64.89 2qnr h THR 282 Cb 1.47 2.29 -0.36 0.00 -1.74 0.00 0.00 68.15 69.81 2qnr h THR 282 CO -0.54 0.45 -0.12 -1.00 0.37 0.00 0.00 175.52 174.68 2qnr s HIS 283 N -2.89 3.88 0.00 3.16 3.76 -0.75 -4.86 115.29 117.58 2qnr s HIS 283 Ca -0.00 -3.03 0.00 0.00 -0.15 0.00 0.00 55.06 51.87 2qnr s HIS 283 Cb 0.08 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.55 2qnr s HIS 283 CO 0.79 -0.73 0.00 0.94 -0.85 0.00 0.00 174.74 174.89 2qnr n GLN 285 N 2.35 0.00 0.08 1.40 7.27 -1.26 -0.69 117.38 126.52 2qnr n GLN 285 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.21 2qnr n GLN 285 Cb 0.37 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.08 2qnr n GLN 285 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2qnr h ASP 286 N 0.00 0.30 -0.15 1.69 1.82 -1.98 -1.47 116.42 116.62 2qnr h ASP 286 Ca 0.00 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.41 2qnr h ASP 286 Cb 0.00 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 2qnr h ASP 286 CO 0.00 0.92 -0.02 -0.07 -1.61 0.00 0.00 179.24 178.47 2qnr h LEU 287 N 0.17 0.28 -0.47 2.28 3.38 -1.23 0.44 115.31 120.16 2qnr h LEU 287 Ca -0.02 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.70 2qnr h LEU 287 Cb 1.29 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 2qnr h LEU 287 CO 0.11 0.55 -0.04 -0.61 0.09 0.00 0.00 178.44 178.55 2qnr h GLN 288 N -0.01 0.07 -0.28 1.13 5.75 -1.79 -1.57 115.11 118.42 2qnr h GLN 288 Ca 0.04 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.36 2qnr h GLN 288 Cb 0.42 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2qnr h GLN 288 CO 0.01 0.05 -0.51 0.93 -2.65 0.00 0.00 178.83 176.66 2qnr h GLU 289 N 0.08 0.84 -0.45 1.69 5.08 -0.99 -0.81 114.58 120.02 2qnr h GLU 289 Ca 0.23 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2qnr h GLU 289 Cb 0.35 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2qnr h GLU 289 CO -0.42 1.17 0.21 0.28 -1.00 0.00 0.00 179.01 179.25 2qnr h VAL 290 N 0.62 1.18 -0.71 3.13 2.07 -0.83 0.25 116.25 121.96 2qnr h VAL 290 Ca 0.02 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.13 2qnr h VAL 290 Cb 1.12 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 2qnr h VAL 290 CO 0.12 0.20 0.28 0.74 0.02 0.00 0.00 177.57 178.93 2qnr h THR 291 N 0.59 0.70 0.54 2.57 2.02 -0.86 0.23 112.91 118.70 2qnr h THR 291 Ca 0.15 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2qnr h THR 291 Cb 0.12 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2qnr h THR 291 CO -0.02 0.08 -0.26 -0.61 0.37 0.00 0.00 175.52 175.08 2qnr h GLN 292 N 0.44 -0.70 -0.12 6.66 5.75 -0.46 0.22 115.11 126.90 2qnr h GLN 292 Ca 0.38 0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.77 2qnr h GLN 292 Cb 0.54 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 2qnr h GLN 292 CO -0.37 -0.47 -0.58 -0.44 -2.65 0.00 0.00 178.83 174.32 2qnr h ASP 293 N -1.09 0.43 0.00 -0.69 3.32 -0.42 -3.12 116.42 114.85 2qnr h ASP 293 Ca -0.07 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2qnr h ASP 293 Cb 0.56 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2qnr h ASP 293 CO 0.12 0.92 0.00 -0.11 -1.72 0.00 0.00 179.24 178.45 2qnr n LEU 294 N -3.91 0.20 -0.15 1.55 7.94 0.06 -4.38 117.00 118.30 2qnr n LEU 294 Ca -0.03 0.05 -0.09 0.00 -1.11 0.00 0.00 56.01 54.83 2qnr n LEU 294 Cb 0.61 -0.30 -0.00 0.00 0.53 0.00 0.00 43.42 44.26 2qnr n LEU 294 CO 0.46 -0.30 0.89 0.45 -1.11 0.00 0.00 177.39 177.77 2qnr h HIS 295 N 0.00 0.73 -0.30 1.96 3.86 -1.42 -0.58 115.15 119.40 2qnr h HIS 295 Ca 0.00 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2qnr h HIS 295 Cb 0.00 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2qnr h HIS 295 CO 0.00 0.67 0.03 -0.92 0.86 0.00 0.00 177.93 178.57 2qnr h TYR 296 N 0.58 0.54 -0.09 2.45 3.20 -0.99 -0.71 116.97 121.96 2qnr h TYR 296 Ca 0.14 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2qnr h TYR 296 Cb 0.30 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2qnr h TYR 296 CO 0.02 0.61 -0.54 0.93 -1.64 0.00 0.00 178.16 177.53 2qnr h GLU 297 N 0.32 0.26 -0.00 1.82 4.39 -1.42 0.13 114.58 120.07 2qnr h GLU 297 Ca 0.09 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2qnr h GLU 297 Cb 0.37 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2qnr h GLU 297 CO 0.01 0.73 0.00 -0.91 -1.16 0.00 0.00 179.01 177.68 2qnr h ASN 298 N 0.20 0.00 -0.74 1.42 4.21 -0.93 -0.16 115.58 119.58 2qnr h ASN 298 Ca 0.00 -0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.56 2qnr h ASN 298 Cb 1.02 -0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.17 2qnr h ASN 298 CO 0.08 0.03 0.49 0.15 -1.29 0.00 0.00 177.43 176.89 2qnr h PHE 299 N -0.02 0.75 0.08 1.19 3.57 -0.63 -2.53 116.94 119.35 2qnr h PHE 299 Ca 0.00 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 2qnr h PHE 299 Cb 0.02 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 38.54 2qnr h PHE 299 CO -0.07 0.38 -0.82 -0.09 -2.23 0.00 0.00 178.31 175.48 2qnr h ARG 300 N 0.73 0.42 -0.02 1.11 2.43 -0.52 -1.06 114.38 117.48 2qnr h ARG 300 Ca 0.33 -0.56 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 2qnr h ARG 300 Cb 0.33 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2qnr h ARG 300 CO -0.11 1.22 -0.35 0.77 -1.51 0.00 0.00 179.97 179.98 2qnr h SER 301 N -0.11 -1.07 -0.96 -3.80 0.02 -1.01 -2.18 113.55 104.45 2qnr h SER 301 Ca -0.12 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2qnr h SER 301 Cb 1.56 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 64.47 2qnr h SER 301 CO 0.16 -0.41 0.61 -0.08 -1.14 0.00 0.00 176.83 175.97 2qnr h GLU 302 N -0.50 1.05 -0.35 3.45 4.57 -1.46 -2.79 114.58 118.56 2qnr h GLU 302 Ca 0.06 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2qnr h GLU 302 Cb 0.59 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2qnr h GLU 302 CO -0.30 0.70 -0.07 -0.09 -1.18 0.00 0.00 179.01 178.07 2qnr h ARG 303 N 1.08 0.66 -0.11 1.92 9.65 -0.97 -3.14 114.38 123.47 2qnr h ARG 303 Ca 0.42 -0.24 -0.16 0.00 -1.10 0.00 0.00 59.98 58.89 2qnr h ARG 303 Cb 0.21 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2qnr h ARG 303 CO -0.19 0.81 -0.63 -0.07 2.80 0.00 0.00 179.97 182.70 2qnr h LEU 304 N 0.45 0.47 -0.71 3.80 3.38 -1.31 -3.17 115.31 118.22 2qnr h LEU 304 Ca 0.09 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 57.94 2qnr h LEU 304 Cb 0.56 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 2qnr h LEU 304 CO 0.03 0.98 0.08 0.11 0.09 0.00 0.00 178.44 179.73 2qnr h LYS 305 N 0.30 0.17 0.00 1.13 1.57 -1.44 -3.52 116.57 114.77 2qnr h LYS 305 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qnr h LYS 305 Cb 1.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2qnr h LYS 305 CO 0.11 0.11 0.00 0.54 -0.57 0.00 0.00 179.45 179.64