#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 2.63 -0.11 3.44 2.12 0.69 -4.91 118.70 122.57 2qbx s GLU 29 Ca 0.00 -0.88 -0.21 0.00 0.36 0.00 0.00 54.97 54.24 2qbx s GLU 29 Cb 0.00 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 2qbx s GLU 29 CO 0.00 0.37 0.59 0.99 -0.54 0.00 0.00 175.26 176.67 2qbx s THR 30 N -0.13 5.11 -0.26 -1.70 2.01 -1.26 -2.24 115.64 117.17 2qbx s THR 30 Ca -0.04 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.01 2qbx s THR 30 Cb -0.14 -3.93 -0.14 0.00 0.01 0.00 0.00 72.50 68.30 2qbx s THR 30 CO 0.04 0.27 -0.22 0.18 -0.69 0.00 0.00 174.62 174.20 2qbx n LEU 31 N 3.88 2.08 -4.30 4.42 4.32 0.26 -4.96 117.00 122.70 2qbx n LEU 31 Ca -0.04 0.29 -0.16 0.00 -0.02 0.00 0.00 56.01 56.08 2qbx n LEU 31 Cb 0.51 -0.87 -0.10 0.00 -1.62 0.00 0.00 43.42 41.35 2qbx n LEU 31 CO 0.45 0.58 -0.41 -0.32 -1.22 0.00 0.00 177.39 176.46 2qbx s MET 32 N -2.49 1.22 -0.17 3.23 -2.45 -1.11 -4.79 119.30 112.74 2qbx s MET 32 Ca -0.36 -1.54 -0.06 0.00 -1.25 0.00 0.00 55.69 52.48 2qbx s MET 32 Cb 0.12 -0.84 0.08 0.00 1.25 0.00 0.00 34.83 35.44 2qbx s MET 32 CO 0.53 0.10 0.35 0.34 1.05 0.00 0.00 175.02 177.39 2qbx s ASP 33 N -3.25 0.03 0.41 1.11 -1.08 -1.26 -0.54 116.67 112.09 2qbx s ASP 33 Ca 0.21 0.78 0.21 0.00 -0.52 0.00 0.00 52.55 53.23 2qbx s ASP 33 Cb 0.02 1.07 0.84 0.00 -1.46 0.00 0.00 42.92 43.39 2qbx s ASP 33 CO 0.04 -0.24 1.80 0.77 0.52 0.00 0.00 175.17 178.07 2qbx h SER 34 N 8.22 0.00 -0.05 -0.34 4.64 -1.05 -2.47 113.55 122.51 2qbx h SER 34 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 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 0.14 0.31 0.00 0.35 -0.87 0.00 0.00 176.83 176.75 2qbx n THR 35 N -3.55 0.06 0.41 2.95 -2.24 -1.26 -2.77 114.28 107.88 2qbx n THR 35 Ca -0.00 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 2qbx n THR 35 Cb 0.45 -0.09 0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2qbx n THR 35 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2qbx n THR 36 N -0.47 0.10 -1.62 4.28 -1.04 -0.93 -4.99 114.28 109.61 2qbx n THR 36 Ca 0.11 -0.55 -0.49 0.00 -2.04 0.00 0.00 64.05 61.08 2qbx n THR 36 Cb 0.11 1.16 -0.05 0.00 -1.82 0.00 0.00 70.33 69.73 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 0.63 0.08 -0.94 2.41 0.00 -1.12 -4.87 120.51 116.70 2qbx n ALA 37 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 53.44 53.84 2qbx n ALA 37 Cb 0.30 -2.19 0.21 0.00 0.00 0.00 0.00 19.45 17.77 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 2.74 2.88 -1.91 0.00 -2.24 -1.26 -4.99 114.28 109.51 2qbx n THR 38 Ca 0.17 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 2qbx n THR 38 Cb 0.24 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.61 0.00 -2.25 6.98 0.00 -1.26 -5.12 120.51 118.24 2qbx n ALA 39 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 2qbx n ALA 39 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.91 2qbx n ALA 39 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qbx s GLU 40 N 1.38 3.43 -0.01 0.00 0.41 -1.26 -4.98 118.70 117.67 2qbx s GLU 40 Ca 0.00 0.13 -0.26 0.00 -0.41 0.00 0.00 54.97 54.43 2qbx s GLU 40 Cb 0.00 -2.37 -0.20 0.00 -1.78 0.00 0.00 34.13 29.78 2qbx s GLU 40 CO 0.00 -0.28 1.32 -0.07 -0.49 0.00 0.00 175.26 175.75 2qbx h LEU 41 N 0.18 0.01 0.17 1.80 3.38 -1.97 -3.48 115.31 115.40 2qbx h LEU 41 Ca -0.47 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 56.98 2qbx h LEU 41 Cb 1.21 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2qbx h LEU 41 CO 0.61 0.44 -0.13 0.61 0.09 0.00 0.00 178.44 180.06 2qbx n GLY 42 N 0.08 0.31 3.82 0.83 0.00 -1.26 -4.91 105.19 104.06 2qbx n GLY 42 Ca -0.08 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.49 3.22 0.10 1.61 0.51 -1.26 -4.91 118.94 115.72 2qbx s TRP 43 Ca 0.04 1.48 -0.27 0.00 -2.12 0.00 0.00 56.10 55.23 2qbx s TRP 43 Cb -0.02 -2.90 -0.06 0.00 -0.81 0.00 0.00 33.47 29.68 2qbx s TRP 43 CO 0.05 -0.77 0.84 1.41 -0.51 0.00 0.00 176.95 177.97 2qbx s MET 44 N -4.12 4.60 -0.08 4.98 -2.45 -0.55 -4.85 119.30 116.83 2qbx s MET 44 Ca 0.61 1.23 0.05 0.00 -1.25 0.00 0.00 55.69 56.33 2qbx s MET 44 Cb -0.13 -3.34 -0.00 0.00 1.25 0.00 0.00 34.83 32.60 2qbx s MET 44 CO 0.35 0.33 -0.24 0.08 1.05 0.00 0.00 175.02 176.60 2qbx s VAL 45 N -0.33 2.00 -0.23 10.11 1.01 -1.26 -0.41 120.40 131.29 2qbx s VAL 45 Ca 0.41 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2qbx s VAL 45 Cb -0.22 -1.72 0.10 0.00 0.00 0.00 0.00 36.38 34.54 2qbx s VAL 45 CO 0.26 0.55 0.23 -2.28 0.00 0.00 0.00 175.10 173.86 2qbx s HIS 46 N 0.20 -0.25 0.56 5.22 5.04 -0.29 -3.90 115.29 121.86 2qbx s HIS 46 Ca -0.14 0.01 -0.12 0.00 -1.54 0.00 0.00 55.06 53.27 2qbx s HIS 46 Cb -0.16 -0.45 -0.05 0.00 0.04 0.00 0.00 32.58 31.96 2qbx s HIS 46 CO 0.07 -0.70 0.97 -1.25 -2.34 0.00 0.00 174.74 171.49 2qbx s PRO 47 N 2.31 3.70 0.47 2.88 0.04 -1.26 -0.89 135.00 142.26 2qbx s PRO 47 Ca 0.08 0.72 0.32 0.00 0.04 0.00 0.00 61.00 62.15 2qbx s PRO 47 Cb -0.15 -2.16 1.55 0.00 0.04 0.00 0.00 34.50 33.78 2qbx s PRO 47 CO -0.19 -0.40 1.97 -1.35 0.04 0.00 0.00 177.00 177.07 2qbx h PRO 48 N 0.22 0.00 -0.27 0.56 0.11 -1.90 0.25 132.00 130.96 2qbx h PRO 48 Ca -0.45 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.74 2qbx h PRO 48 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qbx h PRO 48 CO 0.62 0.00 0.41 1.03 -0.21 0.00 0.00 178.00 179.85 2qbx h SER 49 N 0.00 0.00 0.00 -2.05 0.87 -1.96 -3.44 113.55 106.97 2qbx h SER 49 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2qbx h SER 49 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2qbx h SER 49 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2qbx n GLY 50 N -1.40 0.06 3.71 5.77 0.00 0.88 -4.99 105.19 109.21 2qbx n GLY 50 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 0.93 1.93 -0.20 1.61 0.52 -1.26 -4.56 118.94 117.91 2qbx s TRP 51 Ca 0.00 1.68 -0.12 0.00 0.02 0.00 0.00 56.10 57.68 2qbx s TRP 51 Cb 0.00 -3.36 0.06 0.00 -1.15 0.00 0.00 33.47 29.03 2qbx s TRP 51 CO 0.00 -2.59 0.50 -2.00 0.02 0.00 0.00 176.95 172.89 2qbx s GLU 52 N -4.37 0.51 0.03 4.98 2.56 0.86 -4.89 118.70 118.38 2qbx s GLU 52 Ca 0.69 0.92 -0.30 0.00 0.00 0.00 0.00 54.97 56.27 2qbx s GLU 52 Cb -0.25 0.05 -0.05 0.00 2.00 0.00 0.00 34.13 35.88 2qbx s GLU 52 CO 0.52 -0.15 1.24 -2.00 -0.56 0.00 0.00 175.26 174.32 2qbx s GLU 53 N 1.38 4.38 0.01 4.30 2.12 -1.26 -1.80 118.70 127.83 2qbx s GLU 53 Ca -0.09 1.80 -0.01 0.00 0.36 0.00 0.00 54.97 57.03 2qbx s GLU 53 Cb -0.07 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2qbx s GLU 53 CO -0.14 -0.37 -0.00 0.08 -0.54 0.00 0.00 175.26 174.29 2qbx s VAL 54 N 1.56 0.07 0.55 3.70 1.01 0.17 -4.97 120.40 122.49 2qbx s VAL 54 Ca 0.59 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2qbx s VAL 54 Cb -0.29 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 2qbx s VAL 54 CO 0.27 -0.33 1.05 -0.94 0.00 0.00 0.00 175.10 175.16 2qbx s SER 55 N -0.97 5.99 0.24 3.32 1.04 -1.26 -1.20 113.70 120.87 2qbx s SER 55 Ca -0.11 1.87 -0.22 0.00 0.48 0.00 0.00 55.95 57.98 2qbx s SER 55 Cb -0.07 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.57 2qbx s SER 55 CO -0.00 -1.02 0.89 -0.83 0.98 0.00 0.00 173.24 173.26 2qbx s GLY 56 N -2.45 0.01 0.10 7.32 0.00 0.10 -4.85 107.32 107.55 2qbx s GLY 56 Ca 0.65 -0.26 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 2qbx s GLY 56 CO 0.30 0.48 0.51 -0.19 0.00 0.00 0.00 173.10 174.20 2qbx s TYR 57 N -2.94 3.67 0.00 1.90 2.02 -1.26 -0.85 117.35 119.89 2qbx s TYR 57 Ca 0.15 1.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 2qbx s TYR 57 Cb -0.03 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2qbx s TYR 57 CO 0.06 0.51 0.00 -0.40 -1.57 0.00 0.00 175.55 174.15 2qbx n ASP 58 N 1.18 0.00 0.01 2.29 5.75 -0.87 -4.94 116.55 119.98 2qbx n ASP 58 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.68 2qbx n ASP 58 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 2qbx n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qbx n GLU 59 N 0.00 0.63 -0.79 0.11 1.02 -1.26 -1.95 120.64 118.40 2qbx n GLU 59 Ca 0.00 0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.40 2qbx n GLU 59 Cb 0.00 -1.78 0.34 0.00 -0.02 0.00 0.00 31.44 29.98 2qbx n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qbx n ASN 60 N -2.90 5.03 -1.90 1.62 3.02 -1.26 -4.94 115.26 113.93 2qbx n ASN 60 Ca -0.12 -2.83 -0.20 0.00 -0.03 0.00 0.00 54.58 51.40 2qbx n ASN 60 Cb 0.90 -0.67 -0.05 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 0.48 -1.57 -2.88 3.52 2.81 -0.82 -4.97 117.12 113.68 2qbx n MET 61 Ca 0.25 1.07 -0.33 0.00 -1.81 0.00 0.00 57.70 56.88 2qbx n MET 61 Cb 1.09 -5.55 -0.07 0.00 -0.71 0.00 0.00 33.22 27.98 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 -2.41 6.92 -0.11 7.83 0.01 -1.26 -4.87 114.94 121.04 2qbx s ASN 62 Ca 0.00 1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 53.73 2qbx s ASN 62 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2qbx s ASN 62 CO 0.00 -0.31 0.02 -0.89 -1.51 0.00 0.00 177.10 174.41 2qbx s THR 63 N -2.11 4.45 0.12 1.60 2.01 -1.26 -2.05 115.64 118.40 2qbx s THR 63 Ca 0.60 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 2qbx s THR 63 Cb -0.10 -2.91 0.04 0.00 0.01 0.00 0.00 72.50 69.55 2qbx s THR 63 CO 0.14 0.57 0.45 0.27 -0.69 0.00 0.00 174.62 175.36 2qbx s ILE 64 N -0.55 0.05 0.03 1.82 -4.36 -0.03 -4.90 121.20 113.26 2qbx s ILE 64 Ca 0.10 -0.43 -0.29 0.00 -0.26 0.00 0.00 60.65 59.76 2qbx s ILE 64 Cb -0.12 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 2qbx s ILE 64 CO 0.02 -0.24 0.95 -0.13 0.24 0.00 0.00 174.94 175.79 2qbx s ARG 65 N -3.58 4.59 0.21 0.37 1.81 -1.26 -0.72 118.95 120.37 2qbx s ARG 65 Ca 0.01 1.39 0.00 0.00 -1.72 0.00 0.00 55.73 55.41 2qbx s ARG 65 Cb 0.01 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.03 2qbx s ARG 65 CO -0.11 0.05 0.10 0.95 -0.68 0.00 0.00 175.30 175.61 2qbx s THR 66 N 0.65 0.27 -0.09 0.02 -4.23 -0.34 -4.78 115.64 107.14 2qbx s THR 66 Ca 0.49 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 2qbx s THR 66 Cb -0.22 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.17 2qbx s THR 66 CO 0.28 -0.09 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.81 2qbx s TYR 67 N -3.96 1.82 0.32 3.99 2.02 -0.42 -0.66 117.35 120.46 2qbx s TYR 67 Ca 0.36 -0.79 0.10 0.00 -0.37 0.00 0.00 57.07 56.36 2qbx s TYR 67 Cb 0.07 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2qbx s TYR 67 CO 0.11 -0.41 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.00 2qbx s GLN 68 N 0.86 2.04 -0.27 -0.62 -0.21 -0.74 -0.36 119.66 120.37 2qbx s GLN 68 Ca -0.10 -1.71 -0.14 0.00 0.02 0.00 0.00 55.36 53.43 2qbx s GLN 68 Cb -0.15 -1.93 0.08 0.00 1.00 0.00 0.00 33.01 32.01 2qbx s GLN 68 CO 0.01 0.20 0.65 0.54 -2.12 0.00 0.00 175.29 174.57 2qbx s VAL 69 N -2.49 -0.09 -0.46 1.09 0.11 -0.89 -0.09 120.40 117.58 2qbx s VAL 69 Ca 0.33 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 2qbx s VAL 69 Cb -0.02 -0.94 0.28 0.00 -1.53 0.00 0.00 36.38 34.17 2qbx s VAL 69 CO 0.19 0.01 0.92 0.00 -3.33 0.00 0.00 175.10 172.88 2qbx n ASN 71 N 1.05 7.39 0.00 0.00 3.02 -1.21 -4.74 115.26 120.78 2qbx n ASN 71 Ca 0.11 -3.70 0.13 0.00 -0.03 0.00 0.00 54.58 51.09 2qbx n ASN 71 Cb 0.65 -1.13 0.65 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.15 0.17 -0.97 2.41 0.24 -1.26 -2.93 118.33 115.83 2qbx n VAL 72 Ca 0.52 0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.95 2qbx n VAL 72 Cb 0.28 -0.62 0.30 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.27 1.25 -3.72 6.34 3.72 -1.26 -4.51 117.46 118.02 2qbx n PHE 73 Ca 0.12 -0.84 -0.20 0.00 -0.05 0.00 0.00 57.45 56.49 2qbx n PHE 73 Cb 0.20 -0.37 -0.18 0.00 -0.94 0.00 0.00 39.48 38.19 2qbx n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2qbx s GLU 74 N -2.82 0.10 0.95 -1.08 2.56 -1.15 -5.11 118.70 112.15 2qbx s GLU 74 Ca 0.46 0.29 -0.14 0.00 0.00 0.00 0.00 54.97 55.57 2qbx s GLU 74 Cb 0.36 -0.59 0.17 0.00 2.00 0.00 0.00 34.13 36.07 2qbx s GLU 74 CO 0.11 -0.30 1.21 -1.54 -0.56 0.00 0.00 175.26 174.18 2qbx s SER 75 N 1.96 3.21 -1.36 -1.70 1.04 -1.26 -4.42 113.70 111.18 2qbx s SER 75 Ca 0.03 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 57.02 2qbx s SER 75 Cb -0.12 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.05 2qbx s SER 75 CO -0.03 -2.70 1.09 -1.20 0.98 0.00 0.00 173.24 171.37 2qbx n SER 76 N -3.81 -5.00 -4.70 7.02 7.64 -1.26 -4.91 113.62 108.59 2qbx n SER 76 Ca 0.11 -0.61 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 2qbx n SER 76 Cb 0.60 -4.80 -0.03 0.00 -1.01 0.00 0.00 64.21 58.97 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 -6.17 4.49 -0.44 1.43 -1.52 -1.26 -4.97 119.66 111.22 2qbx s GLN 77 Ca 0.46 1.35 0.05 0.00 -1.95 0.00 0.00 55.36 55.26 2qbx s GLN 77 Cb -0.21 -3.49 0.17 0.00 -0.22 0.00 0.00 33.01 29.26 2qbx s GLN 77 CO 0.75 -0.15 0.45 1.21 -0.25 0.00 0.00 175.29 177.30 2qbx s ASN 78 N 1.03 0.60 -0.23 5.90 3.84 -1.25 -4.32 114.94 120.51 2qbx s ASN 78 Ca 0.49 -2.56 -0.06 0.00 0.21 0.00 0.00 52.86 50.94 2qbx s ASN 78 Cb -0.20 0.31 -0.02 0.00 -0.55 0.00 0.00 41.25 40.79 2qbx s ASN 78 CO 0.23 -0.15 0.03 0.20 -2.79 0.00 0.00 177.10 174.62 2qbx s ASN 79 N 0.42 4.85 0.05 -4.21 0.01 0.75 -4.56 114.94 112.24 2qbx s ASN 79 Ca 0.31 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 2qbx s ASN 79 Cb 0.01 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 2qbx s ASN 79 CO -0.14 -0.01 -0.00 0.26 -1.51 0.00 0.00 177.10 175.70 2qbx s TRP 80 N 1.46 3.02 -0.02 2.20 0.52 -0.07 -0.20 118.94 125.86 2qbx s TRP 80 Ca 0.05 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.21 2qbx s TRP 80 Cb -0.15 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2qbx s TRP 80 CO 0.01 0.47 -0.05 -1.17 0.02 0.00 0.00 176.95 176.23 2qbx s LEU 81 N -1.96 1.66 -0.06 2.99 2.96 -0.64 -1.14 118.68 122.49 2qbx s LEU 81 Ca 0.23 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2qbx s LEU 81 Cb -0.12 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.24 2qbx s LEU 81 CO 0.15 0.01 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.56 2qbx s ARG 82 N 0.38 0.79 1.23 1.98 3.52 0.45 -0.66 118.95 126.63 2qbx s ARG 82 Ca -0.05 -0.03 -0.17 0.00 -0.13 0.00 0.00 55.73 55.36 2qbx s ARG 82 Cb -0.08 -0.95 0.30 0.00 -1.56 0.00 0.00 34.95 32.66 2qbx s ARG 82 CO -0.00 -0.19 1.02 0.95 -0.81 0.00 0.00 175.30 176.27 2qbx s THR 83 N 1.41 1.71 1.10 4.11 -4.23 -0.65 -1.48 115.64 117.61 2qbx s THR 83 Ca -0.03 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.30 2qbx s THR 83 Cb -0.13 -2.20 0.25 0.00 1.34 0.00 0.00 72.50 71.76 2qbx s THR 83 CO -0.03 0.00 1.20 -0.54 -0.54 0.00 0.00 174.62 174.72 2qbx s LYS 84 N -4.86 -0.47 0.03 3.99 1.02 -1.26 -4.75 119.74 113.45 2qbx s LYS 84 Ca 0.68 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 2qbx s LYS 84 Cb -0.18 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 2qbx s LYS 84 CO 0.60 -3.18 1.16 0.12 -0.92 0.00 0.00 175.35 173.13 2qbx s PHE 85 N -3.39 3.44 -0.25 3.18 5.36 -1.26 -4.58 117.98 120.47 2qbx s PHE 85 Ca 0.72 1.36 -0.07 0.00 -0.96 0.00 0.00 56.93 57.99 2qbx s PHE 85 Cb -0.07 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 2qbx s PHE 85 CO 0.55 -1.05 0.05 0.42 -1.46 0.00 0.00 175.22 173.73 2qbx s ILE 86 N 1.23 4.06 0.40 3.12 1.01 0.70 -4.96 121.20 126.76 2qbx s ILE 86 Ca 0.57 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 2qbx s ILE 86 Cb -0.27 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 2qbx s ILE 86 CO 0.28 0.30 1.22 -0.13 0.00 0.00 0.00 174.94 176.61 2qbx s ARG 87 N 1.57 4.03 0.19 2.79 0.52 -1.26 -1.35 118.95 125.43 2qbx s ARG 87 Ca 0.06 1.98 0.12 0.00 -0.52 0.00 0.00 55.73 57.36 2qbx s ARG 87 Cb -0.15 -2.72 -0.06 0.00 0.52 0.00 0.00 34.95 32.53 2qbx s ARG 87 CO 0.02 -0.38 1.31 -0.09 0.02 0.00 0.00 175.30 176.18 2qbx h ARG 88 N 2.68 0.00 -6.86 3.54 2.43 -1.65 -3.47 114.38 111.05 2qbx h ARG 88 Ca -0.49 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.12 2qbx h ARG 88 Cb 1.24 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.56 2qbx h ARG 88 CO 0.63 0.68 -0.86 0.54 -1.51 0.00 0.00 179.97 179.44 2qbx n ARG 89 N -3.24 -0.90 -0.83 0.20 3.00 -1.26 -1.37 116.66 112.27 2qbx n ARG 89 Ca -0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 2qbx n ARG 89 Cb 0.83 -3.47 0.00 0.00 0.00 0.00 0.00 32.46 29.82 2qbx n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbx n GLY 90 N -2.09 0.88 3.80 -0.13 0.00 -1.26 -5.03 105.19 101.36 2qbx n GLY 90 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2qbx n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbx s ALA 91 N -3.47 2.83 -0.05 4.61 0.00 -0.47 -5.00 121.76 120.21 2qbx s ALA 91 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 2qbx s ALA 91 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2qbx s ALA 91 CO 0.00 -0.47 -0.05 0.72 0.00 0.00 0.00 175.76 175.96 2qbx n HIS 92 N -1.30 0.00 -4.15 0.00 -0.00 -1.26 -4.64 115.22 103.87 2qbx n HIS 92 Ca 0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.47 2qbx n HIS 92 Cb 0.53 -0.20 -0.11 0.00 -0.00 0.00 0.00 29.99 30.20 2qbx n HIS 92 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2qbx s ARG 93 N -2.10 3.78 -0.15 -0.41 3.52 -1.26 -2.40 118.95 119.93 2qbx s ARG 93 Ca -0.07 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.02 2qbx s ARG 93 Cb 0.02 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 2qbx s ARG 93 CO 0.12 0.19 0.07 0.42 -0.81 0.00 0.00 175.30 175.28 2qbx s ILE 94 N 0.56 4.88 -0.12 4.11 -1.09 -0.44 -4.50 121.20 124.60 2qbx s ILE 94 Ca 0.00 -0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2qbx s ILE 94 Cb -0.14 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2qbx s ILE 94 CO 0.02 0.52 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.12 2qbx s HIS 95 N -0.12 2.82 -0.29 3.97 3.76 0.24 -1.40 115.29 124.27 2qbx s HIS 95 Ca 0.07 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2qbx s HIS 95 Cb -0.12 -1.83 0.06 0.00 1.11 0.00 0.00 32.58 31.80 2qbx s HIS 95 CO 0.01 -0.15 -0.03 0.08 -0.85 0.00 0.00 174.74 173.80 2qbx s VAL 96 N 0.24 2.66 -0.21 -0.90 1.01 0.15 -0.15 120.40 123.20 2qbx s VAL 96 Ca -0.08 -1.57 -0.22 0.00 0.00 0.00 0.00 61.98 60.11 2qbx s VAL 96 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2qbx s VAL 96 CO 0.05 -0.14 0.68 -0.70 0.00 0.00 0.00 175.10 174.99 2qbx s GLU 97 N 1.17 4.20 -0.13 2.72 2.12 0.11 -1.87 118.70 127.02 2qbx s GLU 97 Ca -0.05 0.69 -0.01 0.00 0.36 0.00 0.00 54.97 55.96 2qbx s GLU 97 Cb -0.20 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 2qbx s GLU 97 CO -0.03 -0.32 -0.11 -1.64 -0.54 0.00 0.00 175.26 172.62 2qbx s MET 98 N 2.18 3.40 -0.13 4.30 -1.94 0.01 -0.99 119.30 126.13 2qbx s MET 98 Ca 0.30 -0.64 -0.03 0.00 -1.71 0.00 0.00 55.69 53.61 2qbx s MET 98 Cb -0.16 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.96 2qbx s MET 98 CO 0.10 0.25 -0.01 0.15 -0.01 0.00 0.00 175.02 175.49 2qbx s LYS 99 N 0.28 3.40 0.23 2.03 1.02 -0.16 -1.80 119.74 124.74 2qbx s LYS 99 Ca -0.08 -0.46 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 2qbx s LYS 99 Cb -0.15 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2qbx s LYS 99 CO 0.05 0.44 0.59 -0.59 -0.92 0.00 0.00 175.35 174.92 2qbx s PHE 100 N -0.16 -0.07 -0.07 3.18 -0.71 -0.70 -0.53 117.98 118.92 2qbx s PHE 100 Ca 0.04 -0.31 -0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2qbx s PHE 100 Cb -0.13 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 2qbx s PHE 100 CO 0.02 -1.05 -0.03 -1.12 -1.34 0.00 0.00 175.22 171.71 2qbx s SER 101 N -2.91 1.49 -0.14 1.98 0.01 0.35 -0.85 113.70 113.61 2qbx s SER 101 Ca 0.12 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 2qbx s SER 101 Cb -0.03 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 2qbx s SER 101 CO 0.03 -0.14 0.00 -0.69 0.41 0.00 0.00 173.24 172.85 2qbx s VAL 102 N 1.59 4.29 -0.28 3.43 1.01 -1.26 -0.83 120.40 128.34 2qbx s VAL 102 Ca -0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2qbx s VAL 102 Cb -0.13 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2qbx s VAL 102 CO -0.04 0.52 0.66 -0.60 0.00 0.00 0.00 175.10 175.64 2qbx s ARG 103 N 0.00 4.00 0.38 2.72 3.52 -0.01 -4.98 118.95 124.58 2qbx s ARG 103 Ca 0.03 0.46 -0.27 0.00 -0.13 0.00 0.00 55.73 55.83 2qbx s ARG 103 Cb -0.13 -3.70 -0.09 0.00 -1.56 0.00 0.00 34.95 29.48 2qbx s ARG 103 CO 0.02 -0.53 1.26 0.16 -0.81 0.00 0.00 175.30 175.40 2qbx s ASP 104 N 1.56 6.51 0.50 -2.12 -4.77 -1.26 -4.55 116.67 112.54 2qbx s ASP 104 Ca 0.27 2.57 0.16 0.00 -3.30 0.00 0.00 52.55 52.25 2qbx s ASP 104 Cb -0.15 -2.63 1.19 0.00 -1.09 0.00 0.00 42.92 40.24 2qbx s ASP 104 CO 0.10 -0.70 2.10 0.00 0.70 0.00 0.00 175.17 177.37 2qbx h SER 106 N 0.00 0.62 -0.49 0.00 0.02 -2.00 -2.46 113.55 109.24 2qbx h SER 106 Ca -0.00 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2qbx h SER 106 Cb 0.10 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 2qbx h SER 106 CO 0.01 0.38 0.16 -1.20 -1.14 0.00 0.00 176.83 175.04 2qbx n SER 107 N -4.49 4.00 -4.15 3.07 7.64 -0.14 -4.83 113.62 114.73 2qbx n SER 107 Ca 0.12 -2.80 -0.34 0.00 1.01 0.00 0.00 58.87 56.86 2qbx n SER 107 Cb 0.29 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.69 2qbx n SER 107 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qbx s ILE 108 N -2.22 2.72 0.27 0.44 1.01 -0.93 -4.93 121.20 117.55 2qbx s ILE 108 Ca 0.38 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 59.35 2qbx s ILE 108 Cb 0.30 -2.53 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 2qbx s ILE 108 CO 0.10 -0.01 1.47 -2.65 0.00 0.00 0.00 174.94 173.85 2qbx n PRO 109 N 4.58 2.30 -1.27 2.79 -0.02 -1.26 -2.58 135.00 139.54 2qbx n PRO 109 Ca -0.14 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 2qbx n PRO 109 Cb 0.44 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.08 -5.16 -4.77 2.55 7.64 -1.26 -4.96 113.62 109.74 2qbx n SER 110 Ca 0.10 0.23 -0.39 0.00 1.01 0.00 0.00 58.87 59.82 2qbx n SER 110 Cb 0.34 -3.47 -0.01 0.00 -1.01 0.00 0.00 64.21 60.06 2qbx n SER 110 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qbx s VAL 111 N -1.99 2.76 0.75 0.44 -7.23 -1.07 -5.02 120.40 109.05 2qbx s VAL 111 Ca 0.00 0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 60.70 2qbx s VAL 111 Cb 0.00 -3.39 0.05 0.00 0.56 0.00 0.00 36.38 33.61 2qbx s VAL 111 CO 0.00 0.09 1.16 -2.84 -0.31 0.00 0.00 175.10 173.20 2qbx s PRO 112 N -2.27 2.09 0.00 4.82 0.02 -1.26 -4.95 135.00 133.46 2qbx s PRO 112 Ca 0.57 1.58 0.12 0.00 0.02 0.00 0.00 61.00 63.29 2qbx s PRO 112 Cb -0.36 -1.85 0.54 0.00 0.02 0.00 0.00 34.50 32.85 2qbx s PRO 112 CO 0.46 -1.83 1.33 0.41 -0.33 0.00 0.00 177.00 177.04 2qbx n GLY 113 N -0.01 -0.80 0.37 0.52 0.00 -1.26 -2.37 105.19 101.65 2qbx n GLY 113 Ca 0.12 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.40 1.13 -4.63 1.61 3.41 -1.26 -4.90 113.62 107.59 2qbx n SER 114 Ca 0.04 -1.48 -0.41 0.00 -0.26 0.00 0.00 58.87 56.76 2qbx n SER 114 Cb 0.12 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.13 1.54 0.00 0.00 -0.14 -0.92 -4.97 119.74 113.13 2qbx s LYS 116 Ca 0.64 -1.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 2qbx s LYS 116 Cb -0.53 -1.20 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 2qbx s LYS 116 CO 0.56 0.08 0.58 0.39 -0.76 0.00 0.00 175.35 176.20 2qbx n GLU 117 N -0.57 0.63 -4.46 1.68 1.02 -1.26 -3.98 120.64 113.71 2qbx n GLU 117 Ca -0.06 -0.69 -0.23 0.00 -0.02 0.00 0.00 57.16 56.16 2qbx n GLU 117 Cb 0.63 -0.61 -0.10 0.00 -0.02 0.00 0.00 31.44 31.33 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 -0.21 2.13 0.20 2.62 -4.23 -1.26 -4.53 115.64 110.35 2qbx s THR 118 Ca 0.00 -2.27 0.06 0.00 -1.18 0.00 0.00 61.69 58.30 2qbx s THR 118 Cb 0.00 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 2qbx s THR 118 CO 0.00 -0.37 -0.10 0.72 -0.54 0.00 0.00 174.62 174.33 2qbx s PHE 119 N -2.71 1.60 -0.00 3.99 -0.12 -0.66 -4.69 117.98 115.39 2qbx s PHE 119 Ca 0.29 -0.70 -0.04 0.00 -0.05 0.00 0.00 56.93 56.44 2qbx s PHE 119 Cb -0.01 -0.82 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 2qbx s PHE 119 CO 0.13 0.21 0.21 -0.80 -0.05 0.00 0.00 175.22 174.92 2qbx s ASN 120 N -3.29 6.40 -0.09 1.98 0.01 -0.65 0.13 114.94 119.43 2qbx s ASN 120 Ca 0.23 0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 2qbx s ASN 120 Cb 0.02 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 2qbx s ASN 120 CO 0.06 0.25 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.59 2qbx s LEU 121 N -1.91 2.98 0.04 0.60 2.96 -0.60 -0.72 118.68 122.03 2qbx s LEU 121 Ca 0.28 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2qbx s LEU 121 Cb -0.13 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2qbx s LEU 121 CO 0.18 0.29 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.15 2qbx s TYR 122 N -0.41 0.45 0.29 5.38 2.02 -0.11 0.09 117.35 125.06 2qbx s TYR 122 Ca 0.05 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.19 2qbx s TYR 122 Cb -0.12 -0.30 -0.06 0.00 -0.40 0.00 0.00 41.96 41.08 2qbx s TYR 122 CO 0.02 -0.19 -0.04 1.52 -1.57 0.00 0.00 175.55 175.29 2qbx s TYR 123 N -1.94 1.96 -0.11 2.71 1.13 -0.16 -0.46 117.35 120.48 2qbx s TYR 123 Ca -0.09 -0.73 -0.05 0.00 -1.41 0.00 0.00 57.07 54.78 2qbx s TYR 123 Cb -0.06 -1.15 0.05 0.00 -1.10 0.00 0.00 41.96 39.69 2qbx s TYR 123 CO -0.02 0.24 0.25 -0.47 -2.51 0.00 0.00 175.55 173.05 2qbx s TYR 124 N -3.05 -0.35 0.24 -3.49 5.04 -0.89 -0.05 117.35 114.81 2qbx s TYR 124 Ca 0.30 0.82 -0.09 0.00 -2.44 0.00 0.00 57.07 55.66 2qbx s TYR 124 Cb 0.05 0.05 -0.07 0.00 0.35 0.00 0.00 41.96 42.33 2qbx s TYR 124 CO 0.12 -0.25 0.56 -1.21 -1.34 0.00 0.00 175.55 173.44 2qbx s GLU 125 N 1.38 3.79 0.03 4.97 2.02 -1.26 -1.22 118.70 128.41 2qbx s GLU 125 Ca -0.08 0.27 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 2qbx s GLU 125 Cb -0.10 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.51 2qbx s GLU 125 CO -0.09 0.29 0.24 0.00 0.02 0.00 0.00 175.26 175.72 2qbx s ALA 126 N -1.86 -0.52 -0.35 5.21 0.00 0.78 -4.94 121.76 120.08 2qbx s ALA 126 Ca 0.47 -0.09 0.22 0.00 0.00 0.00 0.00 51.96 52.57 2qbx s ALA 126 Cb -0.11 0.24 0.21 0.00 0.00 0.00 0.00 23.12 23.47 2qbx s ALA 126 CO 0.22 -0.35 1.42 -0.44 0.00 0.00 0.00 175.76 176.61 2qbx h ASP 127 N 3.53 0.00 -5.19 0.00 3.32 -1.94 -1.51 116.42 114.64 2qbx h ASP 127 Ca -0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2qbx h ASP 127 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 2qbx h ASP 127 CO 0.46 0.05 0.03 0.72 -1.72 0.00 0.00 179.24 178.78 2qbx s PHE 128 N -3.23 0.32 -1.01 4.55 -0.71 -1.26 -4.53 117.98 112.11 2qbx s PHE 128 Ca 0.04 -0.75 -0.23 0.00 -1.04 0.00 0.00 56.93 54.95 2qbx s PHE 128 Cb 0.07 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 2qbx s PHE 128 CO 0.71 -1.21 1.85 0.34 -1.34 0.00 0.00 175.22 175.57 2qbx s ASP 129 N -3.05 5.44 0.00 1.98 2.15 -1.26 -4.69 116.67 117.24 2qbx s ASP 129 Ca 0.20 -1.14 0.18 0.00 0.43 0.00 0.00 52.55 52.23 2qbx s ASP 129 Cb -0.03 -2.57 -0.17 0.00 -0.30 0.00 0.00 42.92 39.86 2qbx s ASP 129 CO 0.11 -2.52 0.81 -1.54 -0.17 0.00 0.00 175.17 171.86 2qbx n SER 130 N 12.90 1.03 -4.78 -0.34 3.41 -1.26 -5.01 113.62 119.57 2qbx n SER 130 Ca 0.41 -1.02 -0.34 0.00 -0.26 0.00 0.00 58.87 57.66 2qbx n SER 130 Cb 0.47 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 2qbx n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbx s ALA 131 N -2.64 2.69 0.00 7.33 0.00 -1.26 -4.87 121.76 123.01 2qbx s ALA 131 Ca 0.08 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2qbx s ALA 131 Cb 0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 2qbx s ALA 131 CO 0.71 -0.79 0.00 0.25 0.00 0.00 0.00 175.76 175.93 2qbx n THR 132 N -1.49 0.00 -0.12 0.00 -2.24 0.28 -5.00 114.28 105.71 2qbx n THR 132 Ca 0.11 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2qbx n THR 132 Cb 0.51 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.83 0.00 -0.78 -0.00 -1.98 -3.28 116.57 111.36 2qbx h LYS 133 Ca -0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 60.65 60.41 2qbx h LYS 133 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.14 2qbx h LYS 133 CO 0.00 0.85 -1.35 0.25 -0.00 0.00 0.00 179.45 179.20 2qbx n THR 134 N -4.20 0.00 -4.81 0.07 -2.24 -1.26 -4.96 114.28 96.88 2qbx n THR 134 Ca 0.02 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 2qbx n THR 134 Cb 0.32 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.93 1.56 0.73 4.78 5.36 -1.24 -3.60 117.98 122.64 2qbx s PHE 135 Ca -0.01 -0.34 -0.13 0.00 -0.96 0.00 0.00 56.93 55.50 2qbx s PHE 135 Cb 0.12 -1.02 0.04 0.00 -0.34 0.00 0.00 43.02 41.82 2qbx s PHE 135 CO 0.71 -0.06 1.11 -1.25 -1.46 0.00 0.00 175.22 174.27 2qbx s PRO 136 N -0.28 2.40 0.26 10.12 0.04 -1.26 -0.56 135.00 145.72 2qbx s PRO 136 Ca 0.04 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 2qbx s PRO 136 Cb -0.08 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 2qbx s PRO 136 CO 0.00 -1.55 1.16 0.09 0.04 0.00 0.00 177.00 176.74 2qbx n ASN 137 N -3.04 1.78 -3.40 6.66 5.03 -1.24 -4.78 115.26 116.27 2qbx n ASN 137 Ca 0.10 1.17 -0.36 0.00 0.87 0.00 0.00 54.58 56.36 2qbx n ASN 137 Cb 0.52 -1.32 -0.02 0.00 -1.02 0.00 0.00 39.78 37.94 2qbx n ASN 137 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2qbx n TRP 138 N 0.89 2.33 -3.49 3.10 7.02 -1.26 -4.51 117.44 121.52 2qbx n TRP 138 Ca 0.11 -2.64 -0.12 0.00 -1.02 0.00 0.00 57.50 53.83 2qbx n TRP 138 Cb 0.30 -2.21 -0.03 0.00 -2.42 0.00 0.00 31.31 26.95 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 3.03 0.98 0.03 -0.99 0.23 -1.26 -5.08 119.30 116.24 2qbx s MET 139 Ca 0.56 -0.16 -0.35 0.00 -1.03 0.00 0.00 55.69 54.71 2qbx s MET 139 Cb 0.15 0.45 -0.14 0.00 -1.53 0.00 0.00 34.83 33.76 2qbx s MET 139 CO -0.04 -0.39 1.65 -1.91 -2.03 0.00 0.00 175.02 172.31 2qbx n GLU 140 N 0.13 1.94 -2.28 3.16 2.13 -1.26 -2.95 120.64 121.51 2qbx n GLU 140 Ca -0.14 0.70 -0.03 0.00 0.66 0.00 0.00 57.16 58.36 2qbx n GLU 140 Cb 0.61 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 4.48 -5.23 -0.13 4.31 5.15 -1.26 -4.67 115.26 117.91 2qbx n ASN 141 Ca 0.20 0.18 0.09 0.00 -0.60 0.00 0.00 54.58 54.45 2qbx n ASN 141 Cb 0.26 -3.39 -0.07 0.00 -0.53 0.00 0.00 39.78 36.04 2qbx n ASN 141 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2qbx n PRO 142 N -0.74 1.07 -2.45 1.20 -0.04 -1.15 -4.98 135.00 127.92 2qbx n PRO 142 Ca 0.04 -0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 2qbx n PRO 142 Cb 0.34 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2qbx n PRO 142 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qbx s TRP 143 N -2.58 3.53 -0.31 0.54 0.52 -1.17 -4.82 118.94 114.65 2qbx s TRP 143 Ca 0.10 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.69 2qbx s TRP 143 Cb 0.14 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.10 2qbx s TRP 143 CO 0.68 -0.78 0.19 0.08 0.02 0.00 0.00 176.95 177.13 2qbx s VAL 144 N -0.61 5.03 0.07 4.03 1.01 0.93 -4.52 120.40 126.34 2qbx s VAL 144 Ca 0.48 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2qbx s VAL 144 Cb -0.32 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2qbx s VAL 144 CO 0.39 0.12 1.60 -0.75 0.00 0.00 0.00 175.10 176.45 2qbx s LYS 145 N 1.70 4.21 -0.13 2.72 2.20 -1.26 -0.99 119.74 128.19 2qbx s LYS 145 Ca 0.06 2.28 -0.09 0.00 -0.36 0.00 0.00 55.97 57.85 2qbx s LYS 145 Cb -0.17 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2qbx s LYS 145 CO 0.09 -0.69 0.02 0.28 -0.36 0.00 0.00 175.35 174.69 2qbx h VAL 146 N 4.72 0.28 -1.83 4.02 2.07 -0.69 -3.47 116.25 121.36 2qbx h VAL 146 Ca -0.42 -1.27 0.19 0.00 0.82 0.00 0.00 66.70 66.01 2qbx h VAL 146 Cb 1.20 0.60 -0.17 0.00 -1.52 0.00 0.00 31.29 31.39 2qbx h VAL 146 CO 0.92 0.10 0.67 -0.62 0.02 0.00 0.00 177.57 178.66 2qbx s ASP 147 N -5.86 -0.24 -0.06 0.57 2.15 -1.16 -5.03 116.67 107.04 2qbx s ASP 147 Ca -0.12 0.01 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 2qbx s ASP 147 Cb 0.01 0.25 -0.03 0.00 -0.30 0.00 0.00 42.92 42.86 2qbx s ASP 147 CO 0.23 -0.40 0.89 -0.89 -0.17 0.00 0.00 175.17 174.83 2qbx s THR 148 N -2.68 4.90 -0.09 1.71 2.01 -1.26 -1.55 115.64 118.68 2qbx s THR 148 Ca 0.07 1.83 -0.01 0.00 0.31 0.00 0.00 61.69 63.90 2qbx s THR 148 Cb -0.01 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2qbx s THR 148 CO -0.06 0.13 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.32 2qbx s ILE 149 N 1.34 3.86 0.01 1.82 -1.09 0.35 -4.98 121.20 122.51 2qbx s ILE 149 Ca 0.45 -0.41 -0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2qbx s ILE 149 Cb -0.19 -2.61 -0.00 0.00 -1.58 0.00 0.00 42.46 38.08 2qbx s ILE 149 CO 0.21 0.58 0.10 0.00 -1.23 0.00 0.00 174.94 174.60 2qbx s ALA 150 N -0.61 -0.21 0.03 9.38 0.00 -1.26 -1.65 121.76 127.44 2qbx s ALA 150 Ca 0.09 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 2qbx s ALA 150 Cb -0.12 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 2qbx s ALA 150 CO 0.02 -0.21 1.61 0.00 0.00 0.00 0.00 175.76 177.19 2qbx s ALA 151 N -1.51 3.65 0.00 0.00 0.00 -1.26 -5.04 121.76 117.60 2qbx s ALA 151 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2qbx s ALA 151 Cb -0.08 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2qbx s ALA 151 CO 0.01 -1.14 0.00 -0.40 0.00 0.00 0.00 175.76 174.23 2qbx n ASP 152 N 5.90 0.93 -1.14 0.00 5.68 -1.26 -5.06 116.55 121.60 2qbx n ASP 152 Ca 0.16 -0.17 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 2qbx n ASP 152 Cb 0.41 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.66 2qbx n ASP 152 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbx n GLU 153 N -0.09 2.57 -3.87 0.11 -0.58 -1.26 -4.67 120.64 112.85 2qbx n GLU 153 Ca 0.00 -2.13 -0.35 0.00 -0.42 0.00 0.00 57.16 54.26 2qbx n GLU 153 Cb 0.00 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.20 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 -0.95 4.54 0.09 1.62 0.01 -1.26 -5.08 113.70 112.68 2qbx s SER 154 Ca 0.39 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.93 2qbx s SER 154 Cb 0.22 -1.78 0.08 0.00 0.21 0.00 0.00 66.02 64.75 2qbx s SER 154 CO 0.24 -0.06 0.98 0.72 0.41 0.00 0.00 173.24 175.54 2qbx s PHE 155 N 1.49 -0.18 -0.09 2.43 -0.71 -1.26 -4.60 117.98 115.06 2qbx s PHE 155 Ca 0.05 -0.06 -0.02 0.00 -1.04 0.00 0.00 56.93 55.86 2qbx s PHE 155 Cb -0.15 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2qbx s PHE 155 CO -0.02 -0.68 -0.01 -1.54 -1.34 0.00 0.00 175.22 171.63 2qbx s SER 156 N -2.81 5.14 -0.04 1.98 1.04 -1.26 -5.02 113.70 112.73 2qbx s SER 156 Ca 0.10 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2qbx s SER 156 Cb -0.01 -1.47 0.03 0.00 0.10 0.00 0.00 66.02 64.67 2qbx s SER 156 CO -0.01 0.35 -0.00 -1.58 0.98 0.00 0.00 173.24 172.97 2qbx s GLN 157 N -0.73 0.40 0.27 4.02 0.74 -1.26 -2.20 119.66 120.91 2qbx s GLN 157 Ca 0.11 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.64 2qbx s GLN 157 Cb -0.12 -0.59 -0.06 0.00 1.10 0.00 0.00 33.01 33.35 2qbx s GLN 157 CO 0.02 -0.15 -0.04 0.14 -0.55 0.00 0.00 175.29 174.71 2qbx s VAL 158 N 1.14 1.50 -0.32 1.34 -7.23 0.81 -4.98 120.40 112.66 2qbx s VAL 158 Ca -0.08 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 57.92 2qbx s VAL 158 Cb -0.13 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.36 2qbx s VAL 158 CO -0.02 -0.28 0.11 -0.62 -0.31 0.00 0.00 175.10 173.98 2qbx s ASP 159 N -3.42 5.32 -1.15 4.85 2.15 -1.26 -2.86 116.67 120.30 2qbx s ASP 159 Ca 0.30 -0.78 -0.05 0.00 0.43 0.00 0.00 52.55 52.44 2qbx s ASP 159 Cb 0.05 -1.92 0.26 0.00 -0.30 0.00 0.00 42.92 41.00 2qbx s ASP 159 CO 0.11 -0.24 1.69 0.18 -0.17 0.00 0.00 175.17 176.75 2qbx n LEU 160 N 4.90 6.71 -1.00 -1.34 4.77 0.33 -4.63 117.00 126.73 2qbx n LEU 160 Ca -0.14 -5.06 -0.07 0.00 -0.03 0.00 0.00 56.01 50.72 2qbx n LEU 160 Cb 0.47 -1.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.25 2qbx n LEU 160 CO 0.33 1.67 -0.03 0.61 -1.33 0.00 0.00 177.39 178.63 2qbx n GLY 161 N 1.60 0.21 0.07 -0.72 0.00 -1.26 -3.25 105.19 101.84 2qbx n GLY 161 Ca 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2qbx n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbx n GLY 162 N -1.00 0.87 3.07 -0.02 0.00 -1.26 -5.08 105.19 101.77 2qbx n GLY 162 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.97 1.96 -0.34 1.61 0.52 -1.20 -5.11 118.95 115.42 2qbx s ARG 163 Ca 0.00 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.52 2qbx s ARG 163 Cb 0.00 -1.58 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 2qbx s ARG 163 CO 0.00 0.07 0.46 0.14 0.02 0.00 0.00 175.30 176.00 2qbx s VAL 164 N 0.55 5.07 -0.27 3.52 -7.23 -1.26 0.12 120.40 120.91 2qbx s VAL 164 Ca -0.15 0.30 -0.33 0.00 -1.81 0.00 0.00 61.98 60.00 2qbx s VAL 164 Cb -0.16 -3.91 -0.09 0.00 0.56 0.00 0.00 36.38 32.78 2qbx s VAL 164 CO 0.05 -0.15 2.16 0.80 -0.31 0.00 0.00 175.10 177.65 2qbx n MET 165 N 5.61 1.54 -4.05 4.82 1.56 -1.13 -4.97 117.12 120.50 2qbx n MET 165 Ca -0.06 0.45 -0.30 0.00 -0.27 0.00 0.00 57.70 57.51 2qbx n MET 165 Cb 0.49 -2.76 -0.16 0.00 2.15 0.00 0.00 33.22 32.94 2qbx n MET 165 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2qbx s LYS 166 N 5.97 2.31 -0.31 2.12 2.20 -1.26 -0.13 119.74 130.63 2qbx s LYS 166 Ca 1.04 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 2qbx s LYS 166 Cb -0.65 -2.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.60 2qbx s LYS 166 CO 0.45 -0.23 0.07 0.42 -0.36 0.00 0.00 175.35 175.70 2qbx s ILE 167 N 1.46 3.59 0.32 5.43 1.01 -0.93 -4.39 121.20 127.69 2qbx s ILE 167 Ca 0.04 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 2qbx s ILE 167 Cb -0.13 -2.98 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 2qbx s ILE 167 CO -0.10 -0.08 0.74 0.20 0.00 0.00 0.00 174.94 175.70 2qbx s ASN 168 N 1.39 6.78 -0.05 3.58 -0.87 -0.03 -3.98 114.94 121.76 2qbx s ASN 168 Ca -0.01 1.29 0.07 0.00 -1.57 0.00 0.00 52.86 52.63 2qbx s ASN 168 Cb -0.19 -2.38 -0.01 0.00 -0.02 0.00 0.00 41.25 38.65 2qbx s ASN 168 CO 0.01 -0.21 -0.25 -0.89 -2.57 0.00 0.00 177.10 173.20 2qbx s THR 169 N -1.98 2.13 -0.13 1.60 2.01 -1.26 -1.72 115.64 116.28 2qbx s THR 169 Ca 0.54 -1.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2qbx s THR 169 Cb -0.10 -1.76 0.05 0.00 0.01 0.00 0.00 72.50 70.70 2qbx s THR 169 CO 0.17 0.57 0.31 -0.70 -0.69 0.00 0.00 174.62 174.28 2qbx s GLU 170 N -0.34 0.26 0.02 4.92 2.56 -0.75 -5.01 118.70 120.37 2qbx s GLU 170 Ca 0.02 0.66 0.05 0.00 0.00 0.00 0.00 54.97 55.69 2qbx s GLU 170 Cb -0.12 -0.06 -0.03 0.00 2.00 0.00 0.00 34.13 35.91 2qbx s GLU 170 CO 0.02 -0.18 -0.10 0.08 -0.56 0.00 0.00 175.26 174.52 2qbx s VAL 171 N 1.51 3.37 0.03 3.70 1.01 -1.26 -0.81 120.40 127.95 2qbx s VAL 171 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2qbx s VAL 171 Cb -0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2qbx s VAL 171 CO -0.10 0.35 -0.04 -0.13 0.00 0.00 0.00 175.10 175.18 2qbx s ARG 172 N -1.49 0.44 0.20 2.72 1.81 -0.78 -5.00 118.95 116.85 2qbx s ARG 172 Ca 0.17 -0.78 0.09 0.00 -1.72 0.00 0.00 55.73 53.49 2qbx s ARG 172 Cb -0.11 0.01 -0.05 0.00 -0.45 0.00 0.00 34.95 34.36 2qbx s ARG 172 CO 0.07 -0.03 -0.18 -1.12 -0.68 0.00 0.00 175.30 173.36 2qbx s SER 173 N -1.80 2.92 0.08 0.23 0.01 -1.26 0.33 113.70 114.21 2qbx s SER 173 Ca -0.10 -0.95 -0.21 0.00 1.31 0.00 0.00 55.95 56.00 2qbx s SER 173 Cb -0.06 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.03 2qbx s SER 173 CO -0.02 -0.04 0.52 0.72 0.41 0.00 0.00 173.24 174.82 2qbx s PHE 174 N -2.39 -0.41 -5.00 2.43 -0.71 -0.50 -5.00 117.98 106.40 2qbx s PHE 174 Ca 0.21 0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 2qbx s PHE 174 Cb -0.04 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 2qbx s PHE 174 CO 0.09 -0.69 0.00 0.41 -1.34 0.00 0.00 175.22 173.68 2qbx n GLY 175 N 0.14 -0.34 4.01 1.99 0.00 -1.26 -1.33 105.19 108.40 2qbx n GLY 175 Ca -0.18 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 2qbx n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbx s PRO 176 N -2.00 2.60 -0.05 1.61 0.04 -1.26 -5.07 135.00 130.87 2qbx s PRO 176 Ca 0.00 -1.43 0.04 0.00 0.04 0.00 0.00 61.00 59.65 2qbx s PRO 176 Cb 0.00 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 2qbx s PRO 176 CO 0.00 -0.50 -0.18 0.14 0.04 0.00 0.00 177.00 176.50 2qbx s VAL 177 N -2.49 1.52 -0.03 -0.36 -7.23 -1.01 -5.04 120.40 105.76 2qbx s VAL 177 Ca 0.57 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2qbx s VAL 177 Cb -0.08 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2qbx s VAL 177 CO 0.35 0.43 0.08 -1.54 -0.31 0.00 0.00 175.10 174.11 2qbx n SER 178 N 3.20 3.51 -4.96 4.85 3.41 -1.26 -4.63 113.62 117.74 2qbx n SER 178 Ca -0.18 -0.11 -0.20 0.00 -0.26 0.00 0.00 58.87 58.12 2qbx n SER 178 Cb 0.53 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 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 -2.04 2.56 0.43 4.33 0.52 -1.26 -4.98 118.95 118.51 2qbx s ARG 179 Ca -0.01 -1.51 0.15 0.00 -0.52 0.00 0.00 55.73 53.85 2qbx s ARG 179 Cb 0.02 -2.53 1.04 0.00 0.52 0.00 0.00 34.95 34.00 2qbx s ARG 179 CO 0.13 -0.40 1.93 1.03 0.02 0.00 0.00 175.30 178.01 2qbx h SER 180 N 0.69 0.39 -0.34 0.23 0.87 -1.77 -3.42 113.55 110.20 2qbx h SER 180 Ca -0.38 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2qbx h SER 180 Cb 1.28 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2qbx h SER 180 CO 0.50 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.62 2qbx n GLY 181 N -1.52 1.21 3.68 5.77 0.00 -0.58 -1.99 105.19 111.76 2qbx n GLY 181 Ca 0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.48 0.20 0.14 1.61 -0.12 -0.46 -0.16 117.98 114.71 2qbx s PHE 182 Ca 0.00 -0.60 0.10 0.00 -0.05 0.00 0.00 56.93 56.38 2qbx s PHE 182 Cb 0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 2qbx s PHE 182 CO 0.00 -1.10 -0.23 0.71 -0.05 0.00 0.00 175.22 174.55 2qbx s TYR 183 N -3.89 2.05 0.12 3.49 2.02 -0.36 -0.22 117.35 120.57 2qbx s TYR 183 Ca 0.19 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 2qbx s TYR 183 Cb -0.03 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2qbx s TYR 183 CO 0.09 0.33 0.16 -0.51 -1.57 0.00 0.00 175.55 174.04 2qbx s LEU 184 N -2.25 3.97 -0.02 -1.29 1.43 -1.26 -2.09 118.68 117.17 2qbx s LEU 184 Ca 0.13 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2qbx s LEU 184 Cb -0.09 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2qbx s LEU 184 CO 0.06 0.11 -0.08 0.00 0.23 0.00 0.00 176.35 176.67 2qbx s ALA 185 N -1.62 0.76 -0.16 4.21 0.00 0.39 -1.64 121.76 123.70 2qbx s ALA 185 Ca 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 2qbx s ALA 185 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2qbx s ALA 185 CO 0.25 0.13 -0.09 -0.06 0.00 0.00 0.00 175.76 175.98 2qbx s PHE 186 N 0.16 2.89 -0.12 0.00 0.40 0.16 -0.94 117.98 120.54 2qbx s PHE 186 Ca -0.02 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 2qbx s PHE 186 Cb -0.07 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 2qbx s PHE 186 CO 0.00 -0.26 -0.21 -1.14 0.70 0.00 0.00 175.22 174.32 2qbx s GLN 187 N 0.62 3.12 0.10 0.44 0.74 0.10 -1.61 119.66 123.18 2qbx s GLN 187 Ca -0.05 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.59 2qbx s GLN 187 Cb -0.15 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.49 2qbx s GLN 187 CO 0.03 0.13 -0.01 0.34 -0.55 0.00 0.00 175.29 175.22 2qbx s ASP 188 N 0.49 4.93 -0.27 6.67 2.15 0.72 -1.64 116.67 129.72 2qbx s ASP 188 Ca -0.14 -0.22 0.22 0.00 0.43 0.00 0.00 52.55 52.85 2qbx s ASP 188 Cb -0.17 -1.14 0.50 0.00 -0.30 0.00 0.00 42.92 41.82 2qbx s ASP 188 CO 0.05 0.17 1.09 0.00 -0.17 0.00 0.00 175.17 176.31 2qbx n TYR 189 N 0.55 1.25 0.00 -5.34 0.18 -1.26 -0.18 117.16 112.36 2qbx n TYR 189 Ca -0.11 -2.22 0.00 0.00 1.88 0.00 0.00 57.90 57.45 2qbx n TYR 189 Cb 0.52 -0.25 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 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 -0.53 1.51 0.00 -7.48 0.00 -1.26 -4.68 105.19 92.74 2qbx n GLY 190 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.33 6.16 2.78 -0.02 0.00 -1.26 -2.17 105.19 110.35 2qbx n GLY 191 Ca 0.00 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 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 2.38 1.66 -0.05 0.00 0.00 -0.48 -0.83 119.30 121.99 2qbx s MET 193 Ca 0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 55.69 54.91 2qbx s MET 193 Cb -0.15 0.60 0.03 0.00 0.00 0.00 0.00 34.83 35.31 2qbx s MET 193 CO -0.22 -0.76 -0.01 0.45 0.00 0.00 0.00 175.02 174.48 2qbx s SER 194 N -2.88 1.04 -0.39 -1.18 0.15 -0.01 -2.10 113.70 108.32 2qbx s SER 194 Ca 0.09 -0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.43 2qbx s SER 194 Cb -0.05 -0.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.90 2qbx s SER 194 CO 0.03 -0.12 0.75 -0.22 1.20 0.00 0.00 173.24 174.88 2qbx s LEU 195 N 1.34 4.20 -0.16 3.45 2.96 0.51 -0.50 118.68 130.48 2qbx s LEU 195 Ca -0.05 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2qbx s LEU 195 Cb -0.13 -2.96 -0.23 0.00 0.50 0.00 0.00 46.19 43.37 2qbx s LEU 195 CO -0.02 -0.76 0.19 -0.38 -1.32 0.00 0.00 176.35 174.05 2qbx n ILE 196 N 5.85 1.65 -3.62 6.68 5.41 0.31 -1.30 119.36 134.35 2qbx n ILE 196 Ca 0.02 -0.65 -0.15 0.00 1.00 0.00 0.00 62.75 62.97 2qbx n ILE 196 Cb 0.48 -1.50 -0.07 0.00 -0.71 0.00 0.00 39.64 37.84 2qbx n ILE 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbx s ALA 197 N -2.55 -1.29 -0.17 -1.39 0.00 -0.67 -4.63 121.76 111.06 2qbx s ALA 197 Ca -0.24 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2qbx s ALA 197 Cb 0.07 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.42 2qbx s ALA 197 CO 0.72 -0.38 0.16 0.08 0.00 0.00 0.00 175.76 176.35 2qbx s VAL 198 N -1.66 -0.23 -0.15 0.00 1.01 -1.25 -0.99 120.40 117.13 2qbx s VAL 198 Ca -0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2qbx s VAL 198 Cb -0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2qbx s VAL 198 CO 0.04 -0.19 -0.03 -0.60 0.00 0.00 0.00 175.10 174.33 2qbx s ARG 199 N 2.25 3.65 -0.16 2.72 3.52 -0.16 -0.29 118.95 130.47 2qbx s ARG 199 Ca 0.05 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2qbx s ARG 199 Cb -0.15 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 2qbx s ARG 199 CO -0.10 0.27 -0.10 0.08 -0.81 0.00 0.00 175.30 174.64 2qbx s VAL 200 N 0.29 3.14 0.17 7.11 1.01 0.30 0.09 120.40 132.52 2qbx s VAL 200 Ca -0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 2qbx s VAL 200 Cb -0.14 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 2qbx s VAL 200 CO 0.03 0.49 0.34 0.72 0.00 0.00 0.00 175.10 176.68 2qbx s PHE 201 N 0.76 0.28 0.00 5.22 -0.71 0.79 0.92 117.98 125.24 2qbx s PHE 201 Ca -0.04 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 2qbx s PHE 201 Cb -0.15 0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 2qbx s PHE 201 CO 0.01 -0.76 0.00 2.48 -1.34 0.00 0.00 175.22 175.61 2qbx n TYR 202 N -0.24 0.00 -1.33 3.49 4.11 -0.95 0.82 117.16 123.06 2qbx n TYR 202 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 2qbx n TYR 202 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 2qbx n TYR 202 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73