#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbx s GLU 29 N 0.00 3.84 -0.08 3.49 2.56 -0.47 -4.91 118.70 123.14 2qbx s GLU 29 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 54.97 54.90 2qbx s GLU 29 Cb 0.00 -3.75 -0.02 0.00 2.00 0.00 0.00 34.13 32.36 2qbx s GLU 29 CO 0.00 -0.61 1.04 0.99 -0.56 0.00 0.00 175.26 176.12 2qbx s THR 30 N 2.63 4.69 -0.16 -1.70 2.01 -1.26 -0.96 115.64 120.88 2qbx s THR 30 Ca 0.25 1.96 0.12 0.00 0.31 0.00 0.00 61.69 64.33 2qbx s THR 30 Cb -0.15 -4.26 -0.23 0.00 0.01 0.00 0.00 72.50 67.87 2qbx s THR 30 CO 0.13 0.03 0.20 0.18 -0.69 0.00 0.00 174.62 174.47 2qbx n LEU 31 N 4.84 0.91 -3.66 4.42 4.77 0.11 -4.97 117.00 123.41 2qbx n LEU 31 Ca 0.09 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2qbx n LEU 31 Cb 0.49 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2qbx n LEU 31 CO 0.53 0.57 0.30 -0.32 -1.33 0.00 0.00 177.39 177.14 2qbx s MET 32 N -2.53 0.71 -0.22 3.23 0.00 -1.02 -4.75 119.30 114.72 2qbx s MET 32 Ca -0.13 0.87 -0.04 0.00 0.00 0.00 0.00 55.69 56.38 2qbx s MET 32 Cb 0.07 0.33 0.08 0.00 0.00 0.00 0.00 34.83 35.31 2qbx s MET 32 CO 0.79 -0.09 0.13 0.34 0.00 0.00 0.00 175.02 176.19 2qbx s ASP 33 N 0.41 2.54 0.60 1.11 -1.08 -1.26 0.85 116.67 119.84 2qbx s ASP 33 Ca -0.01 -0.77 0.31 0.00 -0.52 0.00 0.00 52.55 51.56 2qbx s ASP 33 Cb -0.04 -0.16 1.83 0.00 -1.46 0.00 0.00 42.92 43.09 2qbx s ASP 33 CO -0.00 -0.38 2.20 0.77 0.52 0.00 0.00 175.17 178.28 2qbx h SER 34 N 8.40 0.00 0.59 -0.34 4.64 -1.65 -2.41 113.55 122.78 2qbx h SER 34 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2qbx h SER 34 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2qbx h SER 34 CO 0.34 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.71 2qbx n THR 35 N -3.70 0.94 0.61 2.95 -1.04 -1.26 -2.87 114.28 109.89 2qbx n THR 35 Ca -0.01 0.26 0.07 0.00 -2.04 0.00 0.00 64.05 62.32 2qbx n THR 35 Cb 0.18 -1.11 0.02 0.00 -1.82 0.00 0.00 70.33 67.60 2qbx n THR 35 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2qbx n THR 36 N -1.89 0.00 -1.68 12.58 -1.04 -0.91 -4.97 114.28 116.37 2qbx n THR 36 Ca 0.03 -0.41 -0.46 0.00 -2.04 0.00 0.00 64.05 61.17 2qbx n THR 36 Cb 0.19 1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 69.87 2qbx n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbx n ALA 37 N 0.17 1.47 1.58 2.41 0.00 -1.14 -4.84 120.51 120.17 2qbx n ALA 37 Ca 0.07 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.03 2qbx n ALA 37 Cb 0.31 -2.45 0.63 0.00 0.00 0.00 0.00 19.45 17.95 2qbx n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbx n THR 38 N 4.15 0.00 -3.60 0.00 -2.24 -1.26 -4.91 114.28 106.42 2qbx n THR 38 Ca 0.19 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 2qbx n THR 38 Cb 0.31 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2qbx n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbx n ALA 39 N -0.41 -0.51 -1.09 6.98 0.00 -1.26 -5.14 120.51 119.08 2qbx n ALA 39 Ca 0.19 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 2qbx n ALA 39 Cb 0.28 0.56 -0.02 0.00 0.00 0.00 0.00 19.45 20.27 2qbx n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbx n GLU 40 N -0.27 0.00 -0.09 0.00 -0.58 -1.26 -4.92 120.64 113.52 2qbx n GLU 40 Ca -0.02 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.66 2qbx n GLU 40 Cb 0.29 -0.79 -0.05 0.00 -0.57 0.00 0.00 31.44 30.32 2qbx n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qbx h LEU 41 N 0.67 -0.88 0.00 -4.62 -0.00 -1.96 -3.48 115.31 105.04 2qbx h LEU 41 Ca -0.24 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2qbx h LEU 41 Cb 1.15 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 42.17 2qbx h LEU 41 CO 0.43 -0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.32 2qbx n GLY 42 N -1.16 1.23 3.84 0.83 0.00 -1.26 -4.92 105.19 103.75 2qbx n GLY 42 Ca -0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2qbx n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qbx s TRP 43 N -2.00 3.55 0.10 1.61 0.52 -1.26 -4.87 118.94 116.58 2qbx s TRP 43 Ca 0.00 1.21 -0.30 0.00 0.02 0.00 0.00 56.10 57.02 2qbx s TRP 43 Cb 0.00 -2.49 -0.06 0.00 -1.15 0.00 0.00 33.47 29.77 2qbx s TRP 43 CO 0.00 0.29 1.02 1.41 0.02 0.00 0.00 176.95 179.70 2qbx s MET 44 N -2.31 4.62 -0.01 4.98 -2.45 -0.72 -4.83 119.30 118.58 2qbx s MET 44 Ca 0.45 1.54 0.08 0.00 -1.25 0.00 0.00 55.69 56.51 2qbx s MET 44 Cb -0.14 -3.36 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 2qbx s MET 44 CO 0.20 0.09 -0.25 0.14 1.05 0.00 0.00 175.02 176.25 2qbx s VAL 45 N 0.22 2.19 -0.26 10.11 -7.23 -1.26 -1.10 120.40 123.07 2qbx s VAL 45 Ca 0.50 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2qbx s VAL 45 Cb -0.25 -1.78 0.13 0.00 0.56 0.00 0.00 36.38 35.03 2qbx s VAL 45 CO 0.31 0.55 0.30 -2.28 -0.31 0.00 0.00 175.10 173.66 2qbx s HIS 46 N -0.66 -0.52 0.59 2.82 5.04 -0.37 -3.86 115.29 118.34 2qbx s HIS 46 Ca 0.11 0.16 -0.09 0.00 -1.54 0.00 0.00 55.06 53.70 2qbx s HIS 46 Cb -0.10 -0.32 -0.03 0.00 0.04 0.00 0.00 32.58 32.17 2qbx s HIS 46 CO -0.00 -0.80 0.96 -1.25 -2.34 0.00 0.00 174.74 171.31 2qbx s PRO 47 N 2.40 3.40 0.67 2.88 0.04 -1.26 -0.81 135.00 142.32 2qbx s PRO 47 Ca 0.09 0.48 0.42 0.00 0.04 0.00 0.00 61.00 62.03 2qbx s PRO 47 Cb -0.15 -2.17 2.30 0.00 0.04 0.00 0.00 34.50 34.52 2qbx s PRO 47 CO -0.24 -0.56 2.29 -1.35 0.04 0.00 0.00 177.00 177.19 2qbx h PRO 48 N -0.21 0.00 0.00 0.56 0.11 -1.91 -0.82 132.00 129.73 2qbx h PRO 48 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qbx h PRO 48 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qbx h PRO 48 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 2qbx n SER 49 N -3.04 0.71 0.00 -2.05 3.41 -1.26 -4.72 113.62 106.67 2qbx n SER 49 Ca -0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2qbx n SER 49 Cb 0.12 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2qbx n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbx n GLY 50 N 0.43 1.17 3.73 5.00 0.00 -0.31 -4.96 105.19 110.24 2qbx n GLY 50 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2qbx n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qbx s TRP 51 N 0.52 2.10 -0.10 1.61 0.52 -1.26 -4.60 118.94 117.73 2qbx s TRP 51 Ca 0.00 1.54 -0.05 0.00 0.02 0.00 0.00 56.10 57.61 2qbx s TRP 51 Cb 0.00 -3.56 0.04 0.00 -1.15 0.00 0.00 33.47 28.80 2qbx s TRP 51 CO 0.00 -2.69 0.23 -2.00 0.02 0.00 0.00 176.95 172.51 2qbx s GLU 52 N -3.62 0.19 0.09 4.98 2.12 0.77 -4.89 118.70 118.34 2qbx s GLU 52 Ca 0.78 0.49 -0.31 0.00 0.36 0.00 0.00 54.97 56.29 2qbx s GLU 52 Cb -0.33 -0.11 -0.07 0.00 0.26 0.00 0.00 34.13 33.88 2qbx s GLU 52 CO 0.41 -0.15 1.33 -2.00 -0.54 0.00 0.00 175.26 174.31 2qbx s GLU 53 N 1.17 4.35 0.01 4.30 2.12 -1.26 -1.68 118.70 127.70 2qbx s GLU 53 Ca -0.09 1.97 -0.00 0.00 0.36 0.00 0.00 54.97 57.21 2qbx s GLU 53 Cb -0.10 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2qbx s GLU 53 CO -0.07 -0.39 -0.01 0.08 -0.54 0.00 0.00 175.26 174.33 2qbx s VAL 54 N 1.17 0.06 0.51 3.70 1.01 0.24 -4.97 120.40 122.12 2qbx s VAL 54 Ca 0.63 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 2qbx s VAL 54 Cb -0.34 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 2qbx s VAL 54 CO 0.30 -0.26 1.07 -0.94 0.00 0.00 0.00 175.10 175.27 2qbx s SER 55 N -0.76 6.09 0.21 3.32 1.04 -1.26 -0.97 113.70 121.37 2qbx s SER 55 Ca -0.08 2.01 -0.23 0.00 0.48 0.00 0.00 55.95 58.13 2qbx s SER 55 Cb -0.05 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2qbx s SER 55 CO -0.00 -0.96 0.89 -0.83 0.98 0.00 0.00 173.24 173.31 2qbx s GLY 56 N -1.95 -0.10 0.03 7.32 0.00 0.76 -4.84 107.32 108.54 2qbx s GLY 56 Ca 0.69 -0.13 -0.20 0.00 0.00 0.00 0.00 44.72 45.08 2qbx s GLY 56 CO 0.23 0.20 0.57 -0.19 0.00 0.00 0.00 173.10 173.92 2qbx s TYR 57 N -3.25 3.74 1.07 1.90 2.02 -1.26 0.40 117.35 121.97 2qbx s TYR 57 Ca 0.13 1.22 -0.17 0.00 -0.37 0.00 0.00 57.07 57.88 2qbx s TYR 57 Cb -0.03 -2.54 0.07 0.00 -0.40 0.00 0.00 41.96 39.06 2qbx s TYR 57 CO 0.05 0.47 0.05 -0.25 -1.57 0.00 0.00 175.55 174.30 2qbx n ASP 58 N 2.25 -2.39 -0.27 2.29 9.92 0.12 -4.92 116.55 123.56 2qbx n ASP 58 Ca -0.09 0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.29 2qbx n ASP 58 Cb 0.51 -1.01 0.36 0.00 -0.64 0.00 0.00 41.12 40.33 2qbx n ASP 58 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2qbx h GLU 59 N -1.87 0.72 -0.25 -1.24 5.08 -1.99 -2.64 114.58 112.40 2qbx h GLU 59 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2qbx h GLU 59 Cb 1.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2qbx h GLU 59 CO 0.36 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 178.94 2qbx n ASN 60 N -4.55 1.25 -1.26 1.42 3.02 -1.26 -4.93 115.26 108.96 2qbx n ASN 60 Ca 0.16 -2.01 -0.16 0.00 -0.03 0.00 0.00 54.58 52.54 2qbx n ASN 60 Cb 0.41 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 2qbx n ASN 60 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2qbx n MET 61 N 0.17 -1.24 -2.52 3.52 2.81 -0.99 -5.00 117.12 113.85 2qbx n MET 61 Ca 0.08 1.07 -0.34 0.00 -1.81 0.00 0.00 57.70 56.70 2qbx n MET 61 Cb 0.20 -5.32 -0.03 0.00 -0.71 0.00 0.00 33.22 27.36 2qbx n MET 61 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2qbx s ASN 62 N -2.77 6.35 -0.23 7.83 0.01 -1.26 -4.80 114.94 120.08 2qbx s ASN 62 Ca 0.00 1.96 -0.10 0.00 -0.71 0.00 0.00 52.86 54.01 2qbx s ASN 62 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 2qbx s ASN 62 CO 0.00 -0.77 0.14 -0.89 -1.51 0.00 0.00 177.10 174.06 2qbx s THR 63 N -1.92 5.19 0.34 1.60 2.01 -1.26 -0.70 115.64 120.90 2qbx s THR 63 Ca 0.66 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.82 2qbx s THR 63 Cb -0.18 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2qbx s THR 63 CO 0.21 0.36 0.15 0.27 -0.69 0.00 0.00 174.62 174.92 2qbx s ILE 64 N 0.98 0.49 0.05 1.82 -4.36 0.16 -4.89 121.20 115.45 2qbx s ILE 64 Ca 0.07 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.23 2qbx s ILE 64 Cb -0.13 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 2qbx s ILE 64 CO 0.04 0.00 0.69 -0.13 0.24 0.00 0.00 174.94 175.78 2qbx s ARG 65 N -3.77 4.42 0.23 0.37 1.81 -1.26 -0.17 118.95 120.58 2qbx s ARG 65 Ca 0.32 0.94 0.01 0.00 -1.72 0.00 0.00 55.73 55.27 2qbx s ARG 65 Cb 0.04 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 31.17 2qbx s ARG 65 CO 0.17 0.39 0.14 0.95 -0.68 0.00 0.00 175.30 176.27 2qbx s THR 66 N -0.37 0.10 -0.04 0.02 -4.23 -0.14 -4.80 115.64 106.18 2qbx s THR 66 Ca 0.35 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 2qbx s THR 66 Cb -0.20 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 2qbx s THR 66 CO 0.21 0.00 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.78 2qbx s TYR 67 N -3.98 1.94 0.04 3.99 2.02 -0.79 -0.59 117.35 119.97 2qbx s TYR 67 Ca 0.39 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2qbx s TYR 67 Cb 0.06 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2qbx s TYR 67 CO 0.14 -0.14 -0.12 -1.14 -1.57 0.00 0.00 175.55 172.73 2qbx s GLN 68 N -0.18 0.78 -0.11 -0.62 0.74 -0.68 -0.37 119.66 119.22 2qbx s GLN 68 Ca 0.00 -0.69 -0.09 0.00 0.05 0.00 0.00 55.36 54.63 2qbx s GLN 68 Cb -0.11 -0.73 0.03 0.00 1.10 0.00 0.00 33.01 33.30 2qbx s GLN 68 CO 0.02 0.18 0.29 0.54 -0.55 0.00 0.00 175.29 175.76 2qbx s VAL 69 N -0.89 -0.01 -0.45 1.34 0.11 -0.58 -0.17 120.40 119.76 2qbx s VAL 69 Ca -0.01 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 2qbx s VAL 69 Cb -0.08 -0.41 0.32 0.00 -1.53 0.00 0.00 36.38 34.69 2qbx s VAL 69 CO 0.01 0.01 1.10 0.00 -3.33 0.00 0.00 175.10 172.89 2qbx n ASN 71 N 0.34 7.35 0.07 0.00 3.02 -1.23 -4.65 115.26 120.16 2qbx n ASN 71 Ca 0.07 -3.48 0.11 0.00 -0.03 0.00 0.00 54.58 51.24 2qbx n ASN 71 Cb 0.70 -1.20 0.43 0.00 -0.61 0.00 0.00 39.78 39.10 2qbx n ASN 71 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2qbx n VAL 72 N 0.45 0.75 -0.34 2.41 0.24 -1.26 -2.68 118.33 117.90 2qbx n VAL 72 Ca 0.53 0.13 0.10 0.00 -2.04 0.00 0.00 64.34 63.07 2qbx n VAL 72 Cb 0.32 -0.94 0.32 0.00 -1.47 0.00 0.00 33.84 32.07 2qbx n VAL 72 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2qbx n PHE 73 N -1.90 1.13 -4.85 6.34 3.72 -1.26 -4.47 117.46 116.16 2qbx n PHE 73 Ca 0.04 -0.51 -0.27 0.00 -0.05 0.00 0.00 57.45 56.65 2qbx n PHE 73 Cb 0.25 -0.09 -0.17 0.00 -0.94 0.00 0.00 39.48 38.54 2qbx n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2qbx s GLU 74 N -1.36 2.14 0.74 -1.08 0.41 -1.09 -5.09 118.70 113.36 2qbx s GLU 74 Ca 0.48 -0.61 -0.11 0.00 -0.41 0.00 0.00 54.97 54.32 2qbx s GLU 74 Cb 0.27 -1.72 0.03 0.00 -1.78 0.00 0.00 34.13 30.93 2qbx s GLU 74 CO 0.29 0.13 1.07 -1.54 -0.49 0.00 0.00 175.26 174.73 2qbx s SER 75 N 0.40 4.99 -1.00 -0.19 1.04 -1.26 -4.44 113.70 113.24 2qbx s SER 75 Ca -0.13 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 57.82 2qbx s SER 75 Cb -0.15 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2qbx s SER 75 CO 0.05 -1.69 0.87 -1.20 0.98 0.00 0.00 173.24 172.25 2qbx n SER 76 N -3.28 -5.06 -4.69 7.02 7.64 -1.26 -4.94 113.62 109.04 2qbx n SER 76 Ca 0.08 -0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.14 2qbx n SER 76 Cb 0.54 -3.85 -0.03 0.00 -1.01 0.00 0.00 64.21 59.86 2qbx n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2qbx s GLN 77 N -5.92 4.44 -0.42 1.43 -1.52 -1.26 -4.97 119.66 111.44 2qbx s GLN 77 Ca 0.41 1.29 0.04 0.00 -1.95 0.00 0.00 55.36 55.15 2qbx s GLN 77 Cb -0.18 -3.52 0.17 0.00 -0.22 0.00 0.00 33.01 29.26 2qbx s GLN 77 CO 0.54 -0.21 0.42 1.21 -0.25 0.00 0.00 175.29 176.99 2qbx s ASN 78 N 1.06 0.88 -0.24 5.90 3.84 -1.25 -4.29 114.94 120.83 2qbx s ASN 78 Ca 0.47 -2.59 -0.06 0.00 0.21 0.00 0.00 52.86 50.89 2qbx s ASN 78 Cb -0.19 0.15 -0.02 0.00 -0.55 0.00 0.00 41.25 40.65 2qbx s ASN 78 CO 0.20 -0.16 0.03 0.20 -2.79 0.00 0.00 177.10 174.58 2qbx s ASN 79 N 0.43 4.85 0.08 -4.21 0.01 -0.16 -4.59 114.94 111.35 2qbx s ASN 79 Ca 0.30 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 52.21 2qbx s ASN 79 Cb -0.01 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.75 2qbx s ASN 79 CO -0.14 -0.03 0.03 0.26 -1.51 0.00 0.00 177.10 175.71 2qbx s TRP 80 N 1.57 3.07 -0.00 2.20 0.52 0.01 -0.57 118.94 125.74 2qbx s TRP 80 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.21 2qbx s TRP 80 Cb -0.15 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2qbx s TRP 80 CO 0.01 0.49 -0.01 -1.17 0.02 0.00 0.00 176.95 176.30 2qbx s LEU 81 N -2.28 1.86 -0.02 2.99 2.96 -0.39 -1.23 118.68 122.57 2qbx s LEU 81 Ca 0.27 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2qbx s LEU 81 Cb -0.12 -0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.51 2qbx s LEU 81 CO 0.19 -0.00 0.03 -0.60 -1.32 0.00 0.00 176.35 174.65 2qbx s ARG 82 N 0.14 -0.00 1.20 1.98 3.52 -0.26 -0.67 118.95 124.86 2qbx s ARG 82 Ca -0.01 0.18 -0.16 0.00 -0.13 0.00 0.00 55.73 55.61 2qbx s ARG 82 Cb -0.03 -0.28 0.29 0.00 -1.56 0.00 0.00 34.95 33.37 2qbx s ARG 82 CO -0.00 -0.17 1.03 0.95 -0.81 0.00 0.00 175.30 176.30 2qbx s THR 83 N 1.11 1.75 0.76 4.11 -4.23 -0.89 -1.76 115.64 116.50 2qbx s THR 83 Ca -0.09 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.31 2qbx s THR 83 Cb -0.13 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.52 2qbx s THR 83 CO -0.03 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.62 2qbx s LYS 84 N -4.88 2.40 0.19 3.99 1.02 -1.26 -4.74 119.74 116.45 2qbx s LYS 84 Ca 0.68 0.47 -0.33 0.00 0.02 0.00 0.00 55.97 56.82 2qbx s LYS 84 Cb -0.18 -1.97 -0.12 0.00 -0.52 0.00 0.00 37.83 35.04 2qbx s LYS 84 CO 0.60 -1.36 1.69 0.34 -0.92 0.00 0.00 175.35 175.70 2qbx n PHE 85 N -3.23 2.63 -4.28 3.18 7.35 -1.26 -4.70 117.46 117.15 2qbx n PHE 85 Ca 0.07 0.09 -0.34 0.00 -0.76 0.00 0.00 57.45 56.51 2qbx n PHE 85 Cb 0.57 -2.64 -0.14 0.00 0.35 0.00 0.00 39.48 37.62 2qbx n PHE 85 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2qbx s ILE 86 N 1.14 3.31 0.53 -2.13 1.01 0.11 -4.96 121.20 120.22 2qbx s ILE 86 Ca 0.76 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 2qbx s ILE 86 Cb -0.55 -2.46 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 2qbx s ILE 86 CO 0.34 0.47 1.07 -0.13 0.00 0.00 0.00 174.94 176.69 2qbx s ARG 87 N 0.92 3.53 0.03 2.79 0.52 -1.26 -0.56 118.95 124.92 2qbx s ARG 87 Ca -0.01 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 56.61 2qbx s ARG 87 Cb -0.15 -2.05 -0.26 0.00 0.52 0.00 0.00 34.95 33.02 2qbx s ARG 87 CO 0.00 -0.67 0.97 -0.09 0.02 0.00 0.00 175.30 175.53 2qbx h ARG 88 N 1.15 0.16 -6.56 3.54 2.43 -1.64 -3.46 114.38 110.00 2qbx h ARG 88 Ca -0.49 -0.28 -0.51 0.00 -0.81 0.00 0.00 59.98 57.88 2qbx h ARG 88 Cb 1.23 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 2qbx h ARG 88 CO 0.58 1.02 -0.87 0.54 -1.51 0.00 0.00 179.97 179.73 2qbx n ARG 89 N -3.39 -3.28 0.00 0.20 1.74 -1.26 -1.85 116.66 108.82 2qbx n ARG 89 Ca -0.12 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2qbx n ARG 89 Cb 1.02 -4.66 0.00 0.00 -1.02 0.00 0.00 32.46 27.80 2qbx n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbx n GLY 90 N -1.87 2.83 3.69 -0.13 0.00 -1.26 -5.03 105.19 103.41 2qbx n GLY 90 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2qbx n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbx n ALA 91 N -0.66 0.80 -0.01 4.61 0.00 -0.77 -4.98 120.51 119.49 2qbx n ALA 91 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2qbx n ALA 91 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.20 2qbx n ALA 91 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qbx n HIS 92 N -1.84 0.00 -4.10 0.00 8.25 -1.26 -4.67 115.22 111.60 2qbx n HIS 92 Ca 0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.27 2qbx n HIS 92 Cb 0.48 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 2qbx n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qbx s ARG 93 N -2.03 3.85 -0.16 -0.41 3.52 -1.26 0.31 118.95 122.77 2qbx s ARG 93 Ca -0.02 -0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 2qbx s ARG 93 Cb 0.01 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 2qbx s ARG 93 CO 0.03 0.31 -0.04 0.42 -0.81 0.00 0.00 175.30 175.21 2qbx s ILE 94 N 0.25 3.86 -0.15 4.11 -1.09 0.60 -4.45 121.20 124.33 2qbx s ILE 94 Ca 0.02 -0.37 -0.05 0.00 -2.23 0.00 0.00 60.65 58.03 2qbx s ILE 94 Cb -0.13 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 2qbx s ILE 94 CO 0.01 0.49 0.00 -1.00 -1.23 0.00 0.00 174.94 173.21 2qbx s HIS 95 N 0.41 3.12 -0.29 3.97 3.76 0.16 -1.17 115.29 125.25 2qbx s HIS 95 Ca -0.04 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 2qbx s HIS 95 Cb -0.14 -1.98 0.05 0.00 1.11 0.00 0.00 32.58 31.62 2qbx s HIS 95 CO 0.03 0.10 -0.03 0.08 -0.85 0.00 0.00 174.74 174.08 2qbx s VAL 96 N 0.18 2.82 -0.32 -0.90 1.01 0.73 0.04 120.40 123.96 2qbx s VAL 96 Ca 0.01 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2qbx s VAL 96 Cb -0.13 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2qbx s VAL 96 CO 0.02 -0.07 0.37 -0.70 0.00 0.00 0.00 175.10 174.72 2qbx s GLU 97 N 1.23 3.74 -0.21 2.72 2.12 0.15 -2.09 118.70 126.36 2qbx s GLU 97 Ca -0.06 -0.25 -0.05 0.00 0.36 0.00 0.00 54.97 54.98 2qbx s GLU 97 Cb -0.20 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 2qbx s GLU 97 CO -0.02 -0.43 -0.01 -1.64 -0.54 0.00 0.00 175.26 172.61 2qbx s MET 98 N 2.05 3.54 -0.15 4.30 -1.94 0.10 -0.54 119.30 126.65 2qbx s MET 98 Ca 0.13 -0.56 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 2qbx s MET 98 Cb -0.16 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.58 2qbx s MET 98 CO 0.11 -0.05 0.19 0.15 -0.01 0.00 0.00 175.02 175.41 2qbx s LYS 99 N 1.15 3.96 0.12 2.03 -0.14 0.15 -2.02 119.74 124.99 2qbx s LYS 99 Ca 0.02 -0.07 -0.25 0.00 -1.36 0.00 0.00 55.97 54.32 2qbx s LYS 99 Cb -0.14 -3.34 0.08 0.00 -1.68 0.00 0.00 37.83 32.74 2qbx s LYS 99 CO 0.01 0.46 0.65 -0.59 -0.76 0.00 0.00 175.35 175.12 2qbx s PHE 100 N -0.13 -0.52 -0.12 3.18 -0.71 -0.65 -0.52 117.98 118.50 2qbx s PHE 100 Ca 0.13 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.41 2qbx s PHE 100 Cb -0.12 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.25 2qbx s PHE 100 CO 0.02 -0.78 -0.18 -1.12 -1.34 0.00 0.00 175.22 171.83 2qbx s SER 101 N -2.58 2.71 -0.16 1.98 0.01 0.76 -0.83 113.70 115.60 2qbx s SER 101 Ca 0.01 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 2qbx s SER 101 Cb -0.01 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 2qbx s SER 101 CO -0.11 0.03 0.10 -0.69 0.41 0.00 0.00 173.24 172.98 2qbx s VAL 102 N 0.97 5.11 -0.95 3.43 1.01 -1.26 -0.59 120.40 128.12 2qbx s VAL 102 Ca -0.06 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2qbx s VAL 102 Cb -0.15 -3.28 0.20 0.00 0.00 0.00 0.00 36.38 33.16 2qbx s VAL 102 CO -0.03 0.51 0.99 -0.60 0.00 0.00 0.00 175.10 175.98 2qbx s ARG 103 N -0.11 3.77 -0.70 2.72 3.52 0.28 -4.99 118.95 123.45 2qbx s ARG 103 Ca 0.08 -2.45 -0.03 0.00 -0.13 0.00 0.00 55.73 53.21 2qbx s ARG 103 Cb -0.12 -4.64 0.00 0.00 -1.56 0.00 0.00 34.95 28.63 2qbx s ARG 103 CO 0.01 -1.45 0.53 -3.47 -0.81 0.00 0.00 175.30 170.10 2qbx n ASP 104 N 4.55 -4.21 -0.32 -2.12 -0.08 -1.26 -4.53 116.55 108.58 2qbx n ASP 104 Ca 0.21 -0.81 0.20 0.00 -1.51 0.00 0.00 54.79 52.88 2qbx n ASP 104 Cb 0.46 -1.39 0.39 0.00 2.34 0.00 0.00 41.12 42.93 2qbx n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qbx h SER 106 N 0.14 0.07 -0.76 0.00 0.02 -2.01 -2.23 113.55 108.79 2qbx h SER 106 Ca 0.67 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.37 2qbx h SER 106 Cb 1.51 -0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.89 2qbx h SER 106 CO -0.73 0.03 0.32 -1.54 -1.14 0.00 0.00 176.83 173.77 2qbx n SER 107 N -4.34 4.62 -4.04 3.07 3.41 0.57 -4.83 113.62 112.08 2qbx n SER 107 Ca 0.16 -3.22 -0.32 0.00 -0.26 0.00 0.00 58.87 55.23 2qbx n SER 107 Cb 0.81 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 2qbx n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qbx s ILE 108 N -2.92 2.05 0.35 -1.33 1.01 -0.84 -5.01 121.20 114.51 2qbx s ILE 108 Ca 0.53 -1.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 2qbx s ILE 108 Cb 0.43 -2.22 -0.11 0.00 0.01 0.00 0.00 42.46 40.56 2qbx s ILE 108 CO 0.13 -0.09 1.48 -2.65 0.00 0.00 0.00 174.94 173.80 2qbx n PRO 109 N 4.46 2.57 -1.12 2.79 -0.02 -1.26 -2.59 135.00 139.83 2qbx n PRO 109 Ca -0.12 0.91 -0.04 0.00 -2.02 0.00 0.00 63.50 62.22 2qbx n PRO 109 Cb 0.42 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 2qbx n PRO 109 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2qbx n SER 110 N 0.91 -5.19 -4.75 2.55 7.64 -1.26 -4.96 113.62 108.56 2qbx n SER 110 Ca 0.04 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2qbx n SER 110 Cb 0.38 -3.06 -0.02 0.00 -1.01 0.00 0.00 64.21 60.50 2qbx n SER 110 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbx s VAL 111 N -1.60 2.48 0.83 0.44 0.11 -1.07 -5.01 120.40 116.59 2qbx s VAL 111 Ca 0.00 0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 59.37 2qbx s VAL 111 Cb 0.00 -3.27 0.09 0.00 -1.53 0.00 0.00 36.38 31.67 2qbx s VAL 111 CO 0.00 0.08 1.12 -2.84 -3.33 0.00 0.00 175.10 170.12 2qbx s PRO 112 N -0.78 1.75 0.00 1.54 0.02 -1.26 -4.94 135.00 131.34 2qbx s PRO 112 Ca 0.58 1.34 0.19 0.00 0.02 0.00 0.00 61.00 63.13 2qbx s PRO 112 Cb -0.43 -1.83 1.06 0.00 0.02 0.00 0.00 34.50 33.32 2qbx s PRO 112 CO 0.48 -2.05 1.56 0.41 -0.33 0.00 0.00 177.00 177.07 2qbx n GLY 113 N -0.58 -0.74 0.52 0.52 0.00 -1.26 -2.50 105.19 101.16 2qbx n GLY 113 Ca 0.10 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2qbx n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbx n SER 114 N -1.13 1.66 -4.57 1.61 3.41 -1.26 -4.94 113.62 108.40 2qbx n SER 114 Ca 0.12 -1.51 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 2qbx n SER 114 Cb 0.10 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2qbx n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbx s LYS 116 N -2.10 1.24 -0.03 0.00 3.01 -0.87 -4.97 119.74 116.02 2qbx s LYS 116 Ca 0.66 -1.55 0.05 0.00 -1.01 0.00 0.00 55.97 54.12 2qbx s LYS 116 Cb -0.52 -0.93 0.07 0.00 -1.01 0.00 0.00 37.83 35.44 2qbx s LYS 116 CO 0.55 0.13 1.02 0.39 0.51 0.00 0.00 175.35 177.94 2qbx n GLU 117 N -0.33 0.34 -4.20 1.68 1.02 -1.26 -4.03 120.64 113.86 2qbx n GLU 117 Ca -0.09 -1.36 -0.12 0.00 -0.02 0.00 0.00 57.16 55.57 2qbx n GLU 117 Cb 0.61 -0.74 -0.10 0.00 -0.02 0.00 0.00 31.44 31.18 2qbx n GLU 117 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qbx s THR 118 N -0.70 0.69 0.11 2.62 -4.23 -1.26 -4.54 115.64 108.33 2qbx s THR 118 Ca 0.08 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 2qbx s THR 118 Cb 0.07 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 2qbx s THR 118 CO 0.01 -0.69 -0.12 0.72 -0.54 0.00 0.00 174.62 174.00 2qbx s PHE 119 N -3.64 1.24 0.21 3.99 -0.12 -0.83 -4.64 117.98 114.19 2qbx s PHE 119 Ca 0.17 -0.60 -0.09 0.00 -0.05 0.00 0.00 56.93 56.36 2qbx s PHE 119 Cb 0.06 -0.66 -0.07 0.00 -0.63 0.00 0.00 43.02 41.72 2qbx s PHE 119 CO -0.01 0.08 0.52 -0.80 -0.05 0.00 0.00 175.22 174.96 2qbx s ASN 120 N -2.46 6.62 -0.05 1.98 0.01 -0.84 0.11 114.94 120.32 2qbx s ASN 120 Ca 0.07 0.88 0.05 0.00 -0.71 0.00 0.00 52.86 53.15 2qbx s ASN 120 Cb -0.04 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2qbx s ASN 120 CO 0.02 -0.03 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.17 2qbx s LEU 121 N -2.70 2.48 0.06 0.60 2.96 -0.70 -1.35 118.68 120.03 2qbx s LEU 121 Ca 0.45 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2qbx s LEU 121 Cb -0.12 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2qbx s LEU 121 CO 0.21 0.31 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.18 2qbx s TYR 122 N -0.53 0.72 0.30 5.38 2.02 -0.20 -0.14 117.35 124.89 2qbx s TYR 122 Ca 0.07 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.13 2qbx s TYR 122 Cb -0.11 -0.43 -0.06 0.00 -0.40 0.00 0.00 41.96 40.95 2qbx s TYR 122 CO 0.01 -0.14 -0.02 1.52 -1.57 0.00 0.00 175.55 175.36 2qbx s TYR 123 N -2.41 2.00 -0.15 2.71 -0.85 0.44 -0.98 117.35 118.11 2qbx s TYR 123 Ca -0.01 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 55.70 2qbx s TYR 123 Cb -0.03 -1.22 0.07 0.00 0.38 0.00 0.00 41.96 41.16 2qbx s TYR 123 CO -0.02 0.22 0.34 -0.47 -1.52 0.00 0.00 175.55 174.09 2qbx s TYR 124 N -3.07 -0.55 0.35 -3.49 5.04 -0.60 -0.41 117.35 114.63 2qbx s TYR 124 Ca 0.32 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2qbx s TYR 124 Cb 0.06 0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.49 2qbx s TYR 124 CO 0.13 -0.36 0.55 -1.21 -1.34 0.00 0.00 175.55 173.33 2qbx s GLU 125 N 1.95 3.49 0.14 4.97 2.02 -1.26 -0.69 118.70 129.32 2qbx s GLU 125 Ca -0.05 -0.32 -0.22 0.00 0.02 0.00 0.00 54.97 54.41 2qbx s GLU 125 Cb -0.11 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.53 2qbx s GLU 125 CO -0.11 0.15 0.56 0.00 0.02 0.00 0.00 175.26 175.88 2qbx s ALA 126 N -2.32 -1.47 -0.42 5.21 0.00 -0.53 -4.96 121.76 117.28 2qbx s ALA 126 Ca 0.40 0.43 0.23 0.00 0.00 0.00 0.00 51.96 53.02 2qbx s ALA 126 Cb -0.10 0.80 0.10 0.00 0.00 0.00 0.00 23.12 23.93 2qbx s ALA 126 CO 0.36 -0.72 1.11 -0.25 0.00 0.00 0.00 175.76 176.26 2qbx n ASP 127 N -0.27 0.74 -3.08 0.00 8.00 -1.26 -2.38 116.55 118.29 2qbx n ASP 127 Ca -0.17 0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 2qbx n ASP 127 Cb 0.64 0.47 0.01 0.00 -0.02 0.00 0.00 41.12 42.22 2qbx n ASP 127 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qbx s PHE 128 N -3.28 0.17 -1.19 1.24 -0.71 -1.26 -4.50 117.98 108.44 2qbx s PHE 128 Ca 0.02 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 54.92 2qbx s PHE 128 Cb 0.12 0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 42.62 2qbx s PHE 128 CO 0.77 -1.49 1.87 0.34 -1.34 0.00 0.00 175.22 175.38 2qbx s ASP 129 N -3.07 5.52 0.06 1.98 2.15 -1.26 -4.67 116.67 117.38 2qbx s ASP 129 Ca 0.16 -1.80 0.23 0.00 0.43 0.00 0.00 52.55 51.57 2qbx s ASP 129 Cb -0.05 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2qbx s ASP 129 CO 0.12 -2.55 1.03 -1.54 -0.17 0.00 0.00 175.17 172.05 2qbx n SER 130 N 12.75 0.61 -4.73 -0.34 3.41 -1.26 -4.96 113.62 119.10 2qbx n SER 130 Ca 0.45 -0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 2qbx n SER 130 Cb 0.47 0.78 0.01 0.00 -0.26 0.00 0.00 64.21 65.20 2qbx n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbx n ALA 131 N -1.84 1.69 -3.09 7.33 0.00 -1.26 -4.85 120.51 118.49 2qbx n ALA 131 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2qbx n ALA 131 Cb 0.44 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2qbx n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbx n THR 132 N 0.03 0.00 0.09 0.00 -2.24 0.24 -5.01 114.28 107.39 2qbx n THR 132 Ca 0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 2qbx n THR 132 Cb 0.39 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.77 2qbx n THR 132 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2qbx h LYS 133 N 0.00 0.24 0.00 -0.78 -0.00 -1.98 -3.31 116.57 110.74 2qbx h LYS 133 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 2qbx h LYS 133 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.25 2qbx h LYS 133 CO 0.00 0.72 -0.79 0.25 -0.00 0.00 0.00 179.45 179.63 2qbx n THR 134 N -3.91 0.00 -4.94 0.07 -2.24 -1.26 -4.98 114.28 97.02 2qbx n THR 134 Ca -0.02 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 2qbx n THR 134 Cb 0.58 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 2qbx n THR 134 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2qbx s PHE 135 N -2.23 1.78 0.74 4.78 5.36 -1.25 -3.67 117.98 123.49 2qbx s PHE 135 Ca 0.02 -0.34 -0.13 0.00 -0.96 0.00 0.00 56.93 55.52 2qbx s PHE 135 Cb 0.08 -1.14 0.04 0.00 -0.34 0.00 0.00 43.02 41.66 2qbx s PHE 135 CO 0.45 -0.02 1.13 -2.14 -1.46 0.00 0.00 175.22 173.18 2qbx s PRO 136 N -0.54 2.29 0.30 10.12 0.02 -1.26 -0.59 135.00 145.34 2qbx s PRO 136 Ca 0.08 1.42 -0.27 0.00 0.02 0.00 0.00 61.00 62.25 2qbx s PRO 136 Cb -0.08 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 2qbx s PRO 136 CO -0.01 -1.66 0.77 0.09 -0.33 0.00 0.00 177.00 175.87 2qbx n ASN 137 N -3.03 0.13 -3.77 2.53 3.02 -1.24 -4.80 115.26 108.10 2qbx n ASN 137 Ca 0.11 1.10 -0.42 0.00 -0.03 0.00 0.00 54.58 55.34 2qbx n ASN 137 Cb 0.52 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 2qbx n ASN 137 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2qbx n TRP 138 N -0.12 3.12 -3.59 3.10 7.02 -1.26 -4.55 117.44 121.16 2qbx n TRP 138 Ca 0.12 -2.87 -0.07 0.00 -1.02 0.00 0.00 57.50 53.66 2qbx n TRP 138 Cb 0.32 -2.20 -0.04 0.00 -2.42 0.00 0.00 31.31 26.97 2qbx n TRP 138 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2qbx s MET 139 N 1.47 0.40 0.15 -0.99 0.23 -1.26 -5.08 119.30 114.23 2qbx s MET 139 Ca 0.44 0.00 -0.34 0.00 -1.03 0.00 0.00 55.69 54.77 2qbx s MET 139 Cb 0.12 0.19 -0.15 0.00 -1.53 0.00 0.00 34.83 33.46 2qbx s MET 139 CO -0.04 -0.15 1.41 -1.91 -2.03 0.00 0.00 175.02 172.30 2qbx n GLU 140 N 0.38 1.66 -2.36 3.16 2.13 -1.26 -3.10 120.64 121.25 2qbx n GLU 140 Ca -0.05 0.60 -0.03 0.00 0.66 0.00 0.00 57.16 58.34 2qbx n GLU 140 Cb 0.59 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.04 2qbx n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2qbx n ASN 141 N 2.69 -5.52 -0.01 4.31 2.85 -1.26 -4.73 115.26 113.60 2qbx n ASN 141 Ca 0.16 0.16 0.08 0.00 -0.11 0.00 0.00 54.58 54.87 2qbx n ASN 141 Cb 0.25 -3.61 -0.12 0.00 1.24 0.00 0.00 39.78 37.55 2qbx n ASN 141 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2qbx n PRO 142 N -0.85 0.56 -1.72 1.20 -0.04 -1.18 -4.96 135.00 128.01 2qbx n PRO 142 Ca 0.04 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 2qbx n PRO 142 Cb 0.37 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2qbx n PRO 142 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2qbx n TRP 143 N -2.01 2.35 -3.91 0.54 7.02 -1.23 -4.85 117.44 115.36 2qbx n TRP 143 Ca -0.03 0.49 -0.35 0.00 -1.02 0.00 0.00 57.50 56.60 2qbx n TRP 143 Cb 0.40 -2.42 -0.14 0.00 -2.42 0.00 0.00 31.31 26.74 2qbx n TRP 143 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2qbx s VAL 144 N -1.17 3.53 0.16 -0.99 0.11 0.46 -4.58 120.40 117.93 2qbx s VAL 144 Ca 0.59 -0.44 -0.32 0.00 -2.93 0.00 0.00 61.98 58.89 2qbx s VAL 144 Cb -0.50 -2.61 -0.11 0.00 -1.53 0.00 0.00 36.38 31.63 2qbx s VAL 144 CO 0.59 0.41 1.68 -0.75 -3.33 0.00 0.00 175.10 173.70 2qbx s LYS 145 N 1.45 4.17 -0.16 1.54 2.20 -1.26 -0.42 119.74 127.26 2qbx s LYS 145 Ca 0.05 2.48 -0.12 0.00 -0.36 0.00 0.00 55.97 58.02 2qbx s LYS 145 Cb -0.14 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.85 2qbx s LYS 145 CO -0.02 -0.71 -0.09 0.28 -0.36 0.00 0.00 175.35 174.45 2qbx n VAL 146 N 4.19 1.45 -3.53 4.02 0.31 0.80 -4.91 118.33 120.66 2qbx n VAL 146 Ca 0.15 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.56 2qbx n VAL 146 Cb 0.37 -2.30 -0.02 0.00 -0.91 0.00 0.00 33.84 30.98 2qbx n VAL 146 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qbx s ASP 147 N -6.03 -0.30 -0.13 4.52 2.15 -1.20 -5.03 116.67 110.64 2qbx s ASP 147 Ca -0.19 -0.01 -0.29 0.00 0.43 0.00 0.00 52.55 52.49 2qbx s ASP 147 Cb 0.03 0.33 -0.01 0.00 -0.30 0.00 0.00 42.92 42.97 2qbx s ASP 147 CO 0.32 -0.54 1.01 -0.89 -0.17 0.00 0.00 175.17 174.90 2qbx s THR 148 N -2.96 4.77 -0.15 1.71 2.01 -1.26 -1.72 115.64 118.04 2qbx s THR 148 Ca 0.06 2.02 -0.06 0.00 0.31 0.00 0.00 61.69 64.02 2qbx s THR 148 Cb -0.01 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2qbx s THR 148 CO -0.08 -0.03 0.07 -0.63 -0.69 0.00 0.00 174.62 173.26 2qbx s ILE 149 N 2.26 4.86 0.12 1.82 -1.09 0.30 -4.97 121.20 124.49 2qbx s ILE 149 Ca 0.47 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 2qbx s ILE 149 Cb -0.17 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 2qbx s ILE 149 CO 0.15 0.53 -0.06 0.00 -1.23 0.00 0.00 174.94 174.33 2qbx s ALA 150 N -0.22 1.11 -0.08 9.38 0.00 -1.26 -1.96 121.76 128.73 2qbx s ALA 150 Ca 0.08 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 2qbx s ALA 150 Cb -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2qbx s ALA 150 CO 0.01 -0.23 1.17 0.00 0.00 0.00 0.00 175.76 176.71 2qbx s ALA 151 N -3.59 3.51 1.00 0.00 0.00 -1.26 -4.99 121.76 116.43 2qbx s ALA 151 Ca 0.15 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 2qbx s ALA 151 Cb 0.05 -3.52 0.23 0.00 0.00 0.00 0.00 23.12 19.88 2qbx s ALA 151 CO -0.02 -0.79 1.33 0.16 0.00 0.00 0.00 175.76 176.43 2qbx s ASP 152 N 1.46 2.74 -0.14 0.00 1.47 -1.26 -5.00 116.67 115.95 2qbx s ASP 152 Ca 0.54 0.21 0.17 0.00 1.18 0.00 0.00 52.55 54.64 2qbx s ASP 152 Cb -0.23 -0.19 0.68 0.00 -0.34 0.00 0.00 42.92 42.84 2qbx s ASP 152 CO 0.20 -2.96 1.59 -0.62 0.68 0.00 0.00 175.17 174.06 2qbx n GLU 153 N -3.91 3.78 -4.03 2.11 -0.58 -1.26 -4.78 120.64 111.98 2qbx n GLU 153 Ca 0.16 -2.87 -0.36 0.00 -0.42 0.00 0.00 57.16 53.67 2qbx n GLU 153 Cb 0.59 -1.91 -0.07 0.00 -0.57 0.00 0.00 31.44 29.48 2qbx n GLU 153 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2qbx s SER 154 N -1.05 5.98 -0.06 1.62 0.01 -1.26 -5.09 113.70 113.85 2qbx s SER 154 Ca 0.48 0.33 -0.31 0.00 1.31 0.00 0.00 55.95 57.76 2qbx s SER 154 Cb 0.33 -1.89 0.12 0.00 0.21 0.00 0.00 66.02 64.80 2qbx s SER 154 CO 0.20 0.37 1.37 0.72 0.41 0.00 0.00 173.24 176.31 2qbx s PHE 155 N -0.81 -0.01 0.00 2.43 -0.12 -1.26 -4.72 117.98 113.50 2qbx s PHE 155 Ca 0.13 -0.04 0.08 0.00 -0.05 0.00 0.00 56.93 57.05 2qbx s PHE 155 Cb -0.12 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 2qbx s PHE 155 CO 0.03 -0.12 -0.24 -1.54 -0.05 0.00 0.00 175.22 173.30 2qbx s SER 156 N -3.30 2.80 -0.04 1.98 1.04 -1.25 -5.06 113.70 109.87 2qbx s SER 156 Ca 0.20 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2qbx s SER 156 Cb 0.04 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2qbx s SER 156 CO -0.04 0.27 -0.03 -1.58 0.98 0.00 0.00 173.24 172.83 2qbx s GLN 157 N -0.75 0.70 0.21 4.02 0.74 -1.26 -2.90 119.66 120.42 2qbx s GLN 157 Ca 0.09 -0.07 0.06 0.00 0.05 0.00 0.00 55.36 55.49 2qbx s GLN 157 Cb -0.09 -0.74 -0.05 0.00 1.10 0.00 0.00 33.01 33.23 2qbx s GLN 157 CO -0.00 -0.08 -0.09 0.14 -0.55 0.00 0.00 175.29 174.71 2qbx s VAL 158 N 0.89 1.44 -0.47 1.34 -7.23 -0.40 -4.95 120.40 111.03 2qbx s VAL 158 Ca -0.11 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 57.79 2qbx s VAL 158 Cb -0.14 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.73 2qbx s VAL 158 CO -0.00 -0.52 0.38 -0.62 -0.31 0.00 0.00 175.10 174.03 2qbx s ASP 159 N -3.30 6.09 -1.20 4.85 2.15 -1.26 0.10 116.67 124.09 2qbx s ASP 159 Ca 0.24 -1.35 -0.09 0.00 0.43 0.00 0.00 52.55 51.77 2qbx s ASP 159 Cb 0.02 -2.16 0.21 0.00 -0.30 0.00 0.00 42.92 40.69 2qbx s ASP 159 CO 0.07 -0.64 1.60 0.18 -0.17 0.00 0.00 175.17 176.21 2qbx n LEU 160 N 5.17 6.13 -4.76 -1.34 4.77 0.16 -4.90 117.00 122.23 2qbx n LEU 160 Ca -0.12 -4.77 -0.41 0.00 -0.03 0.00 0.00 56.01 50.68 2qbx n LEU 160 Cb 0.44 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2qbx n LEU 160 CO 0.46 1.29 0.94 -0.83 -1.33 0.00 0.00 177.39 177.92 2qbx s GLY 161 N 0.81 2.90 -0.83 -0.72 0.00 -1.26 -2.65 107.32 105.57 2qbx s GLY 161 Ca 0.37 1.15 0.02 0.00 0.00 0.00 0.00 44.72 46.27 2qbx s GLY 161 CO 0.02 1.86 1.40 0.61 0.00 0.00 0.00 173.10 176.99 2qbx n GLY 162 N 1.21 5.84 3.45 0.20 0.00 -1.26 -5.10 105.19 109.52 2qbx n GLY 162 Ca 0.01 -2.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.02 2qbx n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbx s ARG 163 N -3.84 3.28 -0.10 1.61 0.52 -1.08 -5.11 118.95 114.22 2qbx s ARG 163 Ca 0.43 -0.62 -0.18 0.00 -0.52 0.00 0.00 55.73 54.84 2qbx s ARG 163 Cb 0.22 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2qbx s ARG 163 CO -0.12 0.33 0.49 0.14 0.02 0.00 0.00 175.30 176.17 2qbx s VAL 164 N 0.06 5.14 -0.34 3.52 -7.23 -1.26 0.38 120.40 120.67 2qbx s VAL 164 Ca -0.03 1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 61.01 2qbx s VAL 164 Cb -0.14 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 32.96 2qbx s VAL 164 CO 0.04 0.35 0.23 -0.32 -0.31 0.00 0.00 175.10 175.08 2qbx s MET 165 N 0.44 3.40 -0.23 4.82 1.75 0.11 -4.92 119.30 124.66 2qbx s MET 165 Ca 0.27 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 2qbx s MET 165 Cb -0.16 -3.77 0.04 0.00 2.84 0.00 0.00 34.83 33.78 2qbx s MET 165 CO 0.12 -0.47 -0.11 0.21 -0.65 0.00 0.00 175.02 174.11 2qbx s LYS 166 N 1.69 2.69 -0.32 4.11 2.20 -1.26 -1.27 119.74 127.57 2qbx s LYS 166 Ca 0.06 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 54.51 2qbx s LYS 166 Cb -0.17 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2qbx s LYS 166 CO 0.09 -0.40 0.16 0.42 -0.36 0.00 0.00 175.35 175.26 2qbx s ILE 167 N 1.24 4.53 0.26 5.43 1.01 -1.14 -4.32 121.20 128.22 2qbx s ILE 167 Ca -0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 2qbx s ILE 167 Cb -0.17 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2qbx s ILE 167 CO -0.07 -0.00 0.53 0.20 0.00 0.00 0.00 174.94 175.59 2qbx s ASN 168 N 1.59 6.46 -0.07 3.58 -0.87 -0.01 -3.88 114.94 121.75 2qbx s ASN 168 Ca 0.04 0.70 0.04 0.00 -1.57 0.00 0.00 52.86 52.07 2qbx s ASN 168 Cb -0.18 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 2qbx s ASN 168 CO 0.06 -0.15 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.36 2qbx s THR 169 N -2.00 1.59 -0.01 1.60 2.01 -1.26 -1.64 115.64 115.93 2qbx s THR 169 Ca 0.44 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2qbx s THR 169 Cb -0.11 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.02 2qbx s THR 169 CO 0.28 0.45 -0.03 -1.61 -0.69 0.00 0.00 174.62 173.03 2qbx s GLU 170 N 0.27 0.25 -0.05 4.92 0.41 -0.86 -4.88 118.70 118.76 2qbx s GLU 170 Ca -0.11 -0.09 0.05 0.00 -0.41 0.00 0.00 54.97 54.42 2qbx s GLU 170 Cb -0.15 -0.26 -0.02 0.00 -1.78 0.00 0.00 34.13 31.92 2qbx s GLU 170 CO 0.05 0.04 -0.21 0.08 -0.49 0.00 0.00 175.26 174.73 2qbx s VAL 171 N 0.05 2.46 0.08 2.63 1.01 -1.26 -0.72 120.40 124.64 2qbx s VAL 171 Ca -0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2qbx s VAL 171 Cb -0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2qbx s VAL 171 CO -0.00 0.58 -0.06 -0.13 0.00 0.00 0.00 175.10 175.48 2qbx s ARG 172 N -0.45 0.75 0.05 2.72 1.81 -0.89 -5.00 118.95 117.95 2qbx s ARG 172 Ca 0.05 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 2qbx s ARG 172 Cb -0.12 -0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 2qbx s ARG 172 CO 0.01 -0.02 -0.04 -1.54 -0.68 0.00 0.00 175.30 173.03 2qbx s SER 173 N -2.77 0.63 0.19 0.23 1.04 -1.26 -0.19 113.70 111.56 2qbx s SER 173 Ca 0.07 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.55 2qbx s SER 173 Cb 0.03 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2qbx s SER 173 CO -0.04 -0.44 0.43 0.72 0.98 0.00 0.00 173.24 174.89 2qbx s PHE 174 N -2.90 0.11 -5.00 5.02 -0.71 -0.32 -4.99 117.98 109.19 2qbx s PHE 174 Ca 0.00 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 2qbx s PHE 174 Cb 0.01 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.03 2qbx s PHE 174 CO -0.05 -0.85 0.00 0.41 -1.34 0.00 0.00 175.22 173.38 2qbx n GLY 175 N -0.30 -2.26 3.80 1.99 0.00 -1.26 -0.29 105.19 106.88 2qbx n GLY 175 Ca -0.08 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2qbx n GLY 175 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qbx s PRO 176 N -1.85 4.07 -0.11 1.61 0.02 -1.26 -5.06 135.00 132.41 2qbx s PRO 176 Ca 0.00 1.29 -0.02 0.00 0.02 0.00 0.00 61.00 62.29 2qbx s PRO 176 Cb 0.00 -2.24 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 2qbx s PRO 176 CO 0.00 -0.19 -0.04 0.54 -0.33 0.00 0.00 177.00 176.98 2qbx s VAL 177 N -1.99 3.89 0.00 3.83 0.11 0.15 -5.01 120.40 121.38 2qbx s VAL 177 Ca 0.63 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2qbx s VAL 177 Cb -0.14 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 2qbx s VAL 177 CO 0.19 0.55 0.00 -1.54 -3.33 0.00 0.00 175.10 170.97 2qbx n SER 178 N 2.81 1.12 -4.92 3.54 3.41 -1.26 -4.45 113.62 113.87 2qbx n SER 178 Ca -0.18 -0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.06 2qbx n SER 178 Cb 0.53 0.54 0.08 0.00 -0.26 0.00 0.00 64.21 65.10 2qbx n SER 178 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qbx s ARG 179 N -0.77 2.05 0.38 4.33 0.52 -1.26 -4.97 118.95 119.23 2qbx s ARG 179 Ca 0.00 -1.55 0.15 0.00 -0.52 0.00 0.00 55.73 53.81 2qbx s ARG 179 Cb 0.00 -2.55 0.99 0.00 0.52 0.00 0.00 34.95 33.92 2qbx s ARG 179 CO 0.00 -1.10 1.80 0.77 0.02 0.00 0.00 175.30 176.79 2qbx h SER 180 N -0.08 0.53 -0.40 0.23 0.02 -1.76 -3.42 113.55 108.67 2qbx h SER 180 Ca -0.31 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qbx h SER 180 Cb 1.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2qbx h SER 180 CO 0.40 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2qbx n GLY 181 N -1.45 1.14 3.60 -3.77 0.00 -1.00 -1.95 105.19 101.76 2qbx n GLY 181 Ca 0.23 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2qbx n GLY 181 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbx s PHE 182 N -4.81 0.31 0.15 1.61 -0.12 0.28 -1.45 117.98 113.95 2qbx s PHE 182 Ca 0.00 -0.68 0.11 0.00 -0.05 0.00 0.00 56.93 56.31 2qbx s PHE 182 Cb 0.00 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2qbx s PHE 182 CO 0.00 -1.00 -0.26 0.71 -0.05 0.00 0.00 175.22 174.62 2qbx s TYR 183 N -4.01 2.32 0.14 3.49 2.02 0.13 0.10 117.35 121.54 2qbx s TYR 183 Ca 0.21 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 2qbx s TYR 183 Cb -0.01 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 2qbx s TYR 183 CO 0.08 0.39 0.15 -0.51 -1.57 0.00 0.00 175.55 174.09 2qbx s LEU 184 N -2.25 3.90 0.04 -1.29 1.43 -1.26 -1.55 118.68 117.70 2qbx s LEU 184 Ca 0.16 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2qbx s LEU 184 Cb -0.09 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2qbx s LEU 184 CO 0.07 0.09 -0.11 0.00 0.23 0.00 0.00 176.35 176.64 2qbx s ALA 185 N -1.66 0.86 -0.14 4.21 0.00 -0.16 -2.08 121.76 122.79 2qbx s ALA 185 Ca 0.31 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2qbx s ALA 185 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2qbx s ALA 185 CO 0.24 0.12 -0.19 -0.06 0.00 0.00 0.00 175.76 175.86 2qbx s PHE 186 N -0.96 2.48 -0.15 0.00 0.40 0.16 -1.04 117.98 118.87 2qbx s PHE 186 Ca -0.03 -1.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.04 2qbx s PHE 186 Cb -0.08 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.74 2qbx s PHE 186 CO 0.01 -0.61 -0.17 -1.14 0.70 0.00 0.00 175.22 174.01 2qbx s GLN 187 N 0.97 3.17 0.07 0.44 0.74 -0.46 -1.26 119.66 123.33 2qbx s GLN 187 Ca -0.04 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.61 2qbx s GLN 187 Cb -0.15 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 2qbx s GLN 187 CO -0.04 0.03 0.08 0.34 -0.55 0.00 0.00 175.29 175.16 2qbx s ASP 188 N 0.75 5.57 -0.28 6.67 2.15 0.26 -1.98 116.67 129.82 2qbx s ASP 188 Ca -0.07 0.01 0.21 0.00 0.43 0.00 0.00 52.55 53.13 2qbx s ASP 188 Cb -0.16 -1.51 0.49 0.00 -0.30 0.00 0.00 42.92 41.45 2qbx s ASP 188 CO 0.00 0.18 1.05 0.00 -0.17 0.00 0.00 175.17 176.24 2qbx n TYR 189 N 0.50 1.23 0.00 -5.34 0.18 -1.26 -0.99 117.16 111.47 2qbx n TYR 189 Ca -0.09 -2.37 0.00 0.00 1.88 0.00 0.00 57.90 57.33 2qbx n TYR 189 Cb 0.52 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 2qbx n TYR 189 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2qbx n GLY 190 N -0.41 1.97 0.00 -7.48 0.00 -1.26 -4.70 105.19 93.30 2qbx n GLY 190 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qbx n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbx n GLY 191 N -0.37 4.67 2.70 -0.02 0.00 -1.26 -2.05 105.19 108.85 2qbx n GLY 191 Ca 0.00 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.73 2qbx n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbx s MET 193 N 2.27 1.42 -0.05 0.00 0.00 -0.06 -0.55 119.30 122.33 2qbx s MET 193 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 55.69 55.03 2qbx s MET 193 Cb -0.15 0.52 0.02 0.00 0.00 0.00 0.00 34.83 35.22 2qbx s MET 193 CO -0.20 -0.65 -0.03 0.45 0.00 0.00 0.00 175.02 174.59 2qbx s SER 194 N -2.86 1.14 -0.51 -1.18 0.15 0.24 -1.53 113.70 109.16 2qbx s SER 194 Ca 0.09 -0.12 -0.23 0.00 0.70 0.00 0.00 55.95 56.40 2qbx s SER 194 Cb -0.03 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.87 2qbx s SER 194 CO 0.01 -0.10 0.81 -0.22 1.20 0.00 0.00 173.24 174.94 2qbx s LEU 195 N 1.23 4.36 -0.05 3.45 2.96 0.50 -0.17 118.68 130.96 2qbx s LEU 195 Ca -0.06 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2qbx s LEU 195 Cb -0.14 -2.77 -0.25 0.00 0.50 0.00 0.00 46.19 43.53 2qbx s LEU 195 CO -0.02 -1.04 0.65 0.40 -1.32 0.00 0.00 176.35 175.01 2qbx h ILE 196 N 5.97 0.89 -1.93 6.68 2.04 -1.08 -2.09 117.51 127.98 2qbx h ILE 196 Ca -0.26 -2.64 -0.03 0.00 1.00 0.00 0.00 64.86 62.92 2qbx h ILE 196 Cb 1.08 2.54 -0.20 0.00 -0.74 0.00 0.00 36.82 39.50 2qbx h ILE 196 CO 1.02 0.71 0.22 0.00 0.00 0.00 0.00 178.15 180.10 2qbx s ALA 197 N -2.60 -1.80 -0.09 1.87 0.00 -0.47 -4.67 121.76 114.00 2qbx s ALA 197 Ca -0.11 1.60 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 2qbx s ALA 197 Cb 0.07 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2qbx s ALA 197 CO 0.82 -0.35 -0.04 0.08 0.00 0.00 0.00 175.76 176.27 2qbx s VAL 198 N -0.62 0.67 -0.14 0.00 1.01 -1.26 -0.67 120.40 119.40 2qbx s VAL 198 Ca -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2qbx s VAL 198 Cb -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2qbx s VAL 198 CO 0.05 0.31 -0.19 -0.60 0.00 0.00 0.00 175.10 174.67 2qbx s ARG 199 N 1.77 2.72 -0.17 2.72 3.52 0.30 -1.42 118.95 128.39 2qbx s ARG 199 Ca 0.04 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.88 2qbx s ARG 199 Cb -0.13 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.97 2qbx s ARG 199 CO -0.06 -0.09 -0.08 0.08 -0.81 0.00 0.00 175.30 174.33 2qbx s VAL 200 N 1.04 3.30 0.22 7.11 1.01 0.25 0.34 120.40 133.67 2qbx s VAL 200 Ca -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2qbx s VAL 200 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2qbx s VAL 200 CO -0.05 0.48 0.29 0.72 0.00 0.00 0.00 175.10 176.54 2qbx s PHE 201 N 0.81 0.79 0.12 5.22 -0.71 0.11 0.04 117.98 124.36 2qbx s PHE 201 Ca -0.03 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 54.80 2qbx s PHE 201 Cb -0.15 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 2qbx s PHE 201 CO 0.01 -0.81 -0.03 1.52 -1.34 0.00 0.00 175.22 174.58 2qbx s TYR 202 N -4.09 0.97 0.00 3.49 1.13 -0.14 0.37 117.35 119.08 2qbx s TYR 202 Ca 0.31 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 2qbx s TYR 202 Cb 0.03 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 2qbx s TYR 202 CO 0.11 -0.22 0.00 2.89 -2.51 0.00 0.00 175.55 175.81