#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbq s LEU 6 N 0.00 4.47 -0.44 6.15 1.43 -0.52 -4.83 118.68 124.93 1pbq s LEU 6 Ca 0.00 2.49 -0.21 0.00 -1.03 0.00 0.00 54.13 55.38 1pbq s LEU 6 Cb 0.00 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1pbq s LEU 6 CO 0.00 -0.37 0.68 -0.54 0.23 0.00 0.00 176.35 176.35 1pbq s LYS 7 N -1.67 3.30 -0.17 1.70 1.02 -1.26 -1.74 119.74 120.91 1pbq s LYS 7 Ca 0.47 -0.32 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1pbq s LYS 7 Cb -0.36 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 1pbq s LYS 7 CO 0.47 -1.05 0.32 0.42 -0.92 0.00 0.00 175.35 174.59 1pbq s ILE 8 N 2.95 5.28 -0.07 2.17 -1.09 -0.10 0.21 121.20 130.55 1pbq s ILE 8 Ca 0.24 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1pbq s ILE 8 Cb -0.14 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1pbq s ILE 8 CO 0.20 0.35 -0.05 0.54 -1.23 0.00 0.00 174.94 174.75 1pbq s VAL 9 N 0.68 3.82 0.08 2.92 0.11 -0.58 -1.78 120.40 125.65 1pbq s VAL 9 Ca 0.17 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1pbq s VAL 9 Cb -0.13 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1pbq s VAL 9 CO 0.05 0.59 0.07 1.07 -3.33 0.00 0.00 175.10 173.55 1pbq n THR 10 N 2.15 0.00 -3.78 5.04 5.66 -0.84 -2.31 114.28 120.20 1pbq n THR 10 Ca -0.18 -0.54 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 1pbq n THR 10 Cb 0.53 0.28 -0.09 0.00 -1.55 0.00 0.00 70.33 69.49 1pbq n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1pbq s ILE 11 N -2.34 0.06 -0.46 1.09 2.07 -1.26 -1.20 121.20 119.16 1pbq s ILE 11 Ca 0.09 -0.46 -0.28 0.00 -1.41 0.00 0.00 60.65 58.58 1pbq s ILE 11 Cb 0.00 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 42.05 1pbq s ILE 11 CO 0.06 -0.26 1.46 -2.28 -1.91 0.00 0.00 174.94 172.02 1pbq s HIS 12 N -1.17 2.29 -0.31 3.50 5.65 -1.26 -4.61 115.29 119.38 1pbq s HIS 12 Ca -0.12 0.61 0.05 0.00 0.25 0.00 0.00 55.06 55.85 1pbq s HIS 12 Cb -0.05 -4.32 0.18 0.00 -1.18 0.00 0.00 32.58 27.21 1pbq s HIS 12 CO 0.03 -2.06 0.52 -1.14 -0.65 0.00 0.00 174.74 171.44 1pbq s GLN 13 N 5.26 0.55 0.50 2.88 2.00 -0.68 -5.00 119.66 125.16 1pbq s GLN 13 Ca 0.60 0.22 -0.23 0.00 -2.00 0.00 0.00 55.36 53.95 1pbq s GLN 13 Cb -0.13 -0.01 -0.06 0.00 0.80 0.00 0.00 33.01 33.60 1pbq s GLN 13 CO 0.30 -1.07 1.26 -1.21 -0.50 0.00 0.00 175.29 174.07 1pbq s GLU 14 N 2.52 3.49 -0.07 1.67 2.02 -1.22 -0.97 118.70 126.14 1pbq s GLU 14 Ca 0.11 2.01 0.13 0.00 0.02 0.00 0.00 54.97 57.24 1pbq s GLU 14 Cb -0.10 -2.36 0.50 0.00 0.10 0.00 0.00 34.13 32.27 1pbq s GLU 14 CO -0.24 -0.84 1.37 -0.35 0.02 0.00 0.00 175.26 175.22 1pbq n PRO 15 N -0.69 2.85 0.04 0.39 -0.04 -1.26 -4.73 135.00 131.56 1pbq n PRO 15 Ca 0.08 -1.98 -0.20 0.00 -0.04 0.00 0.00 63.50 61.36 1pbq n PRO 15 Cb 0.46 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1pbq n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1pbq h PHE 16 N 2.88 0.74 -2.77 0.54 0.04 -1.44 -2.36 116.94 114.57 1pbq h PHE 16 Ca 0.00 -0.45 -0.40 0.00 2.80 0.00 0.00 57.97 59.92 1pbq h PHE 16 Cb 1.05 -0.06 -0.38 0.00 2.20 0.00 0.00 35.95 38.76 1pbq h PHE 16 CO 0.53 1.30 -0.69 0.08 -0.60 0.00 0.00 178.31 178.92 1pbq s VAL 17 N -2.95 -0.20 0.13 -0.55 1.01 -0.15 -1.06 120.40 116.63 1pbq s VAL 17 Ca -0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1pbq s VAL 17 Cb 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1pbq s VAL 17 CO 0.86 -0.29 0.45 -0.31 0.00 0.00 0.00 175.10 175.81 1pbq s TYR 18 N 2.23 3.54 -0.10 5.22 1.51 0.22 -1.68 117.35 128.28 1pbq s TYR 18 Ca 0.05 0.81 -0.00 0.00 -1.01 0.00 0.00 57.07 56.92 1pbq s TYR 18 Cb -0.16 -2.19 0.02 0.00 -0.11 0.00 0.00 41.96 39.53 1pbq s TYR 18 CO -0.13 0.44 -0.07 0.08 -1.11 0.00 0.00 175.55 174.76 1pbq s VAL 19 N -1.53 0.92 0.11 0.71 1.01 -1.26 -2.23 120.40 118.14 1pbq s VAL 19 Ca 0.38 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1pbq s VAL 19 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1pbq s VAL 19 CO 0.20 0.35 -0.06 -0.54 0.00 0.00 0.00 175.10 175.04 1pbq s LYS 20 N 1.67 0.90 0.65 2.72 -0.14 0.26 -4.96 119.74 120.84 1pbq s LYS 20 Ca 0.03 -1.37 -0.15 0.00 -1.36 0.00 0.00 55.97 53.12 1pbq s LYS 20 Cb -0.13 -0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.74 1pbq s LYS 20 CO -0.07 -0.02 1.10 -2.14 -0.76 0.00 0.00 175.35 173.47 1pbq s PRO 21 N -3.83 2.88 0.64 -1.68 0.02 -1.26 0.21 135.00 131.98 1pbq s PRO 21 Ca 0.14 1.36 -0.10 0.00 0.02 0.00 0.00 61.00 62.42 1pbq s PRO 21 Cb 0.05 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 1pbq s PRO 21 CO -0.03 -1.18 1.02 0.95 -0.33 0.00 0.00 177.00 177.43 1pbq s THR 22 N -2.36 4.05 1.09 0.99 -4.23 -1.26 -4.62 115.64 109.31 1pbq s THR 22 Ca 0.66 0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 61.55 1pbq s THR 22 Cb -0.20 -3.64 0.24 0.00 1.34 0.00 0.00 72.50 70.24 1pbq s THR 22 CO 0.41 -0.81 1.14 -0.04 -0.54 0.00 0.00 174.62 174.78 1pbq s MET 23 N -5.20 -0.34 0.43 3.99 1.00 0.93 -4.82 119.30 115.29 1pbq s MET 23 Ca 0.56 0.04 0.18 0.00 0.00 0.00 0.00 55.69 56.46 1pbq s MET 23 Cb -0.11 -1.69 1.11 0.00 0.00 0.00 0.00 34.83 34.14 1pbq s MET 23 CO 0.51 -3.15 1.89 0.66 0.00 0.00 0.00 175.02 174.94 1pbq h SER 24 N -2.18 0.36 -0.38 3.03 4.64 -1.97 0.44 113.55 117.49 1pbq h SER 24 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1pbq h SER 24 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pbq h SER 24 CO 0.43 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1pbq n ASP 25 N -4.47 2.08 0.00 4.97 5.68 -1.26 -4.92 116.55 118.63 1pbq n ASP 25 Ca 0.16 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1pbq n ASP 25 Cb 0.63 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1pbq n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pbq n GLY 26 N 1.08 0.81 3.98 6.12 0.00 0.14 -5.05 105.19 112.28 1pbq n GLY 26 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1pbq n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbq s THR 27 N -3.13 2.54 -0.25 2.61 -4.23 -1.26 -4.73 115.64 107.19 1pbq s THR 27 Ca 0.00 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.73 1pbq s THR 27 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1pbq s THR 27 CO 0.00 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.20 1pbq n LYS 29 N 4.79 1.55 -2.13 0.00 4.81 -1.26 -4.91 118.16 121.01 1pbq n LYS 29 Ca -0.15 0.56 -0.42 0.00 -0.87 0.00 0.00 58.31 57.43 1pbq n LYS 29 Cb 0.52 -2.18 -0.03 0.00 0.02 0.00 0.00 35.03 33.36 1pbq n LYS 29 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1pbq s GLU 30 N 0.11 4.32 -0.01 1.64 4.04 -1.26 -5.02 118.70 122.53 1pbq s GLU 30 Ca 0.76 2.14 -0.10 0.00 0.04 0.00 0.00 54.97 57.81 1pbq s GLU 30 Cb -0.80 -3.19 0.01 0.00 0.02 0.00 0.00 34.13 30.16 1pbq s GLU 30 CO 0.47 -0.39 0.20 -1.21 -1.84 0.00 0.00 175.26 172.49 1pbq s GLU 31 N 0.44 0.54 0.20 -4.83 2.02 -1.26 -5.09 118.70 110.72 1pbq s GLU 31 Ca 0.62 -0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.38 1pbq s GLU 31 Cb -0.38 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 1pbq s GLU 31 CO 0.35 -0.13 -0.15 -0.06 0.02 0.00 0.00 175.26 175.29 1pbq s PHE 32 N -1.30 1.71 0.78 1.61 0.40 -1.26 -0.52 117.98 119.40 1pbq s PHE 32 Ca -0.14 -0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1pbq s PHE 32 Cb -0.07 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.72 1pbq s PHE 32 CO 0.02 0.35 1.15 0.95 0.70 0.00 0.00 175.22 178.39 1pbq s THR 33 N -2.86 2.55 0.58 0.64 -4.23 0.51 -4.87 115.64 107.96 1pbq s THR 33 Ca 0.21 0.18 0.27 0.00 -1.18 0.00 0.00 61.69 61.17 1pbq s THR 33 Cb -0.01 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1pbq s THR 33 CO 0.07 -0.23 2.23 1.62 -0.54 0.00 0.00 174.62 177.76 1pbq h VAL 34 N -0.96 0.61 -0.00 2.29 3.04 -1.99 0.19 116.25 119.43 1pbq h VAL 34 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1pbq h VAL 34 Cb 1.30 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1pbq h VAL 34 CO 0.65 0.00 -0.04 -0.46 -1.01 0.00 0.00 177.57 176.70 1pbq n ASN 35 N -3.97 0.44 0.00 3.17 2.04 -1.26 -4.89 115.26 110.79 1pbq n ASN 35 Ca -0.03 -0.84 0.00 0.00 -0.44 0.00 0.00 54.58 53.27 1pbq n ASN 35 Cb 0.10 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.29 1pbq n ASN 35 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pbq n GLY 36 N 1.17 0.70 3.71 4.83 0.00 0.68 -5.05 105.19 111.23 1pbq n GLY 36 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1pbq n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pbq s ASP 37 N -2.78 7.35 0.58 1.61 3.84 -1.25 -4.67 116.67 121.35 1pbq s ASP 37 Ca 0.00 1.63 -0.20 0.00 -0.00 0.00 0.00 52.55 53.98 1pbq s ASP 37 Cb 0.00 -2.56 -0.04 0.00 -1.38 0.00 0.00 42.92 38.95 1pbq s ASP 37 CO 0.00 -0.22 1.26 -2.16 -0.00 0.00 0.00 175.17 174.04 1pbq s PRO 38 N 0.87 3.01 -0.45 2.11 0.04 -1.26 0.19 135.00 139.51 1pbq s PRO 38 Ca 0.50 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 1pbq s PRO 38 Cb -0.21 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.36 1pbq s PRO 38 CO 0.27 -1.21 0.34 0.08 0.04 0.00 0.00 177.00 176.52 1pbq s VAL 39 N -1.48 4.86 -0.04 -0.36 1.01 0.32 -4.74 120.40 119.97 1pbq s VAL 39 Ca 0.76 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1pbq s VAL 39 Cb -0.34 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1pbq s VAL 39 CO 0.38 -0.54 1.37 -0.54 0.00 0.00 0.00 175.10 175.77 1pbq s LYS 40 N 1.56 4.27 0.08 2.72 1.02 -1.26 -4.64 119.74 123.49 1pbq s LYS 40 Ca 0.04 1.89 0.10 0.00 0.02 0.00 0.00 55.97 58.01 1pbq s LYS 40 Cb -0.24 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1pbq s LYS 40 CO 0.05 -0.61 -0.26 0.15 -0.92 0.00 0.00 175.35 173.77 1pbq s LYS 41 N 2.74 1.61 0.09 1.68 1.02 -1.26 -4.60 119.74 121.01 1pbq s LYS 41 Ca 0.62 -1.18 0.07 0.00 0.02 0.00 0.00 55.97 55.50 1pbq s LYS 41 Cb -0.29 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1pbq s LYS 41 CO 0.24 0.47 -0.18 0.14 -0.92 0.00 0.00 175.35 175.11 1pbq s VAL 42 N -0.90 1.44 0.05 3.17 -7.23 -0.37 -4.95 120.40 111.60 1pbq s VAL 42 Ca 0.12 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1pbq s VAL 42 Cb -0.10 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1pbq s VAL 42 CO 0.03 -0.16 1.07 -0.63 -0.31 0.00 0.00 175.10 175.11 1pbq s ILE 43 N -1.29 4.45 -0.04 -0.62 -1.09 -1.26 -0.89 121.20 120.46 1pbq s ILE 43 Ca 0.03 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 1pbq s ILE 43 Cb -0.10 -4.16 0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1pbq s ILE 43 CO 0.03 0.17 -0.02 0.00 -1.23 0.00 0.00 174.94 173.89 1pbq s THR 45 N 1.18 4.98 -0.22 0.00 -4.23 -0.99 -1.16 115.64 115.21 1pbq s THR 45 Ca -0.07 0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 61.25 1pbq s THR 45 Cb -0.14 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1pbq s THR 45 CO -0.02 0.56 0.13 -2.84 -0.54 0.00 0.00 174.62 171.92 1pbq s PRO 60 N -1.01 4.09 0.37 3.99 0.02 -1.26 -0.06 135.00 141.14 1pbq s PRO 60 Ca 0.25 -0.27 0.03 0.00 0.02 0.00 0.00 61.00 61.03 1pbq s PRO 60 Cb -0.17 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 1pbq s PRO 60 CO 0.14 0.18 0.09 -0.65 -0.33 0.00 0.00 177.00 176.43 1pbq s GLN 61 N 0.70 1.80 -0.19 5.54 -0.21 -0.31 -4.42 119.66 122.57 1pbq s GLN 61 Ca 0.07 -2.06 -0.07 0.00 0.02 0.00 0.00 55.36 53.32 1pbq s GLN 61 Cb -0.12 -0.75 -0.04 0.00 1.00 0.00 0.00 33.01 33.10 1pbq s GLN 61 CO 0.01 -0.34 0.06 0.00 -2.12 0.00 0.00 175.29 172.90 1pbq s TYR 64 N -0.54 -0.34 -4.10 0.00 -0.85 -0.94 -1.24 117.35 109.34 1pbq s TYR 64 Ca 0.07 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1pbq s TYR 64 Cb -0.11 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.86 1pbq s TYR 64 CO 0.00 -0.99 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 1pbq n GLY 65 N -0.41 0.91 0.22 5.49 0.00 -1.26 0.73 105.19 110.87 1pbq n GLY 65 Ca -0.10 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 1pbq n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pbq h PHE 66 N 0.00 -0.36 0.00 1.61 3.04 -0.96 -1.45 116.94 118.82 1pbq h PHE 66 Ca 0.00 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1pbq h PHE 66 Cb 0.00 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1pbq h PHE 66 CO 0.00 -0.24 -0.44 0.00 -2.02 0.00 0.00 178.31 175.61 1pbq h ILE 68 N 0.00 1.31 -0.56 0.00 1.08 -1.54 -0.73 117.51 117.07 1pbq h ILE 68 Ca -0.00 -1.98 -0.06 0.00 -0.39 0.00 0.00 64.86 62.42 1pbq h ILE 68 Cb 0.91 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.61 1pbq h ILE 68 CO 0.06 0.62 0.10 0.44 -0.69 0.00 0.00 178.15 178.68 1pbq h ASP 69 N 0.46 0.83 -0.29 1.72 3.32 -1.17 -1.18 116.42 120.12 1pbq h ASP 69 Ca -0.03 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 1pbq h ASP 69 Cb 1.32 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1pbq h ASP 69 CO 0.14 0.84 0.01 0.25 -1.72 0.00 0.00 179.24 178.76 1pbq h LEU 70 N 0.84 0.49 -0.42 1.55 5.85 -1.26 -1.89 115.31 120.48 1pbq h LEU 70 Ca 0.18 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1pbq h LEU 70 Cb 0.35 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1pbq h LEU 70 CO 0.00 0.67 0.10 0.25 -0.34 0.00 0.00 178.44 179.12 1pbq h LEU 71 N 0.31 0.04 -0.77 2.25 5.85 -0.77 0.49 115.31 122.71 1pbq h LEU 71 Ca 0.08 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pbq h LEU 71 Cb 0.41 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1pbq h LEU 71 CO 0.01 0.06 0.50 0.40 -0.34 0.00 0.00 178.44 179.07 1pbq h ILE 72 N 0.24 1.15 -0.49 4.05 2.04 -1.03 -0.39 117.51 123.07 1pbq h ILE 72 Ca 0.21 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1pbq h ILE 72 Cb 0.24 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1pbq h ILE 72 CO -0.25 0.18 -0.07 0.11 0.00 0.00 0.00 178.15 178.11 1pbq h LYS 73 N 0.99 0.92 -0.64 2.37 1.57 -0.63 -2.56 116.57 118.59 1pbq h LYS 73 Ca 0.30 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1pbq h LYS 73 Cb -0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1pbq h LYS 73 CO -0.09 0.98 0.10 -0.07 -0.57 0.00 0.00 179.45 179.80 1pbq h LEU 74 N 0.77 1.02 -0.92 2.94 3.38 -0.47 -0.87 115.31 121.17 1pbq h LEU 74 Ca 0.13 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1pbq h LEU 74 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1pbq h LEU 74 CO 0.04 1.03 -0.02 0.00 0.09 0.00 0.00 178.44 179.58 1pbq h ALA 75 N 1.03 1.10 -0.01 1.53 0.00 -1.02 -0.50 119.26 121.40 1pbq h ALA 75 Ca 0.19 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 1pbq h ALA 75 Cb 0.44 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1pbq h ALA 75 CO 0.01 0.57 -0.98 0.07 0.00 0.00 0.00 179.25 178.93 1pbq h ARG 76 N 0.72 0.68 -0.01 0.00 -0.00 -1.27 0.23 114.38 114.74 1pbq h ARG 76 Ca 0.14 -0.72 -0.17 0.00 -0.00 0.00 0.00 59.98 59.23 1pbq h ARG 76 Cb 0.47 0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.62 1pbq h ARG 76 CO 0.02 1.30 -0.77 1.79 -0.00 0.00 0.00 179.97 182.31 1pbq h THR 77 N 0.35 1.49 -0.31 0.08 1.35 -1.10 -3.18 112.91 111.59 1pbq h THR 77 Ca -0.12 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 1pbq h THR 77 Cb 1.64 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1pbq h THR 77 CO 0.19 0.72 0.00 0.23 -0.25 0.00 0.00 175.52 176.41 1pbq n MET 78 N -3.69 2.28 -3.58 4.72 2.00 -0.20 -5.02 117.12 113.62 1pbq n MET 78 Ca -0.02 -2.09 -0.24 0.00 0.00 0.00 0.00 57.70 55.34 1pbq n MET 78 Cb 0.74 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.52 1pbq n MET 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1pbq n ASN 79 N 1.26 -5.54 -4.04 7.83 2.85 -0.06 -5.00 115.26 112.56 1pbq n ASN 79 Ca 0.16 -0.59 -0.08 0.00 -0.11 0.00 0.00 54.58 53.97 1pbq n ASN 79 Cb 0.54 -2.32 -0.10 0.00 1.24 0.00 0.00 39.78 39.15 1pbq n ASN 79 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1pbq s PHE 80 N -2.61 0.44 0.28 1.20 -0.12 -0.44 -5.03 117.98 111.70 1pbq s PHE 80 Ca 0.10 -0.93 0.07 0.00 -0.05 0.00 0.00 56.93 56.12 1pbq s PHE 80 Cb -0.01 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 1pbq s PHE 80 CO 0.87 -0.38 0.25 0.95 -0.05 0.00 0.00 175.22 176.86 1pbq s THR 81 N -3.62 4.18 0.26 -4.49 -4.23 -1.26 -4.69 115.64 101.78 1pbq s THR 81 Ca 0.04 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.04 1pbq s THR 81 Cb 0.06 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1pbq s THR 81 CO -0.09 -0.28 0.56 -0.72 -0.54 0.00 0.00 174.62 173.55 1pbq s TYR 82 N -2.18 0.16 -0.04 3.99 1.13 -1.26 -1.44 117.35 117.71 1pbq s TYR 82 Ca 0.36 -0.56 -0.01 0.00 -1.41 0.00 0.00 57.07 55.45 1pbq s TYR 82 Cb -0.07 0.37 0.03 0.00 -1.10 0.00 0.00 41.96 41.19 1pbq s TYR 82 CO 0.26 -1.08 0.08 -1.83 -2.51 0.00 0.00 175.55 170.48 1pbq s GLU 83 N -3.98 0.01 -0.09 -3.49 -1.05 -0.71 -4.90 118.70 104.49 1pbq s GLU 83 Ca 0.18 0.30 -0.03 0.00 -0.15 0.00 0.00 54.97 55.27 1pbq s GLU 83 Cb -0.02 -0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 1pbq s GLU 83 CO 0.08 -0.19 0.05 0.08 0.95 0.00 0.00 175.26 176.23 1pbq s VAL 84 N 1.28 4.68 -0.00 1.83 1.01 -1.26 -0.92 120.40 127.02 1pbq s VAL 84 Ca -0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1pbq s VAL 84 Cb -0.12 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1pbq s VAL 84 CO -0.04 0.59 0.11 -1.38 0.00 0.00 0.00 175.10 174.37 1pbq s HIS 85 N -0.95 0.06 0.13 5.22 -3.43 -0.74 -2.36 115.29 113.22 1pbq s HIS 85 Ca 0.15 -0.14 -0.28 0.00 -0.80 0.00 0.00 55.06 53.99 1pbq s HIS 85 Cb -0.12 -0.06 -0.07 0.00 -1.43 0.00 0.00 32.58 30.91 1pbq s HIS 85 CO 0.04 -0.24 0.87 -0.51 -2.00 0.00 0.00 174.74 172.90 1pbq s LEU 86 N -1.21 4.54 0.04 5.38 1.43 0.91 -2.00 118.68 127.77 1pbq s LEU 86 Ca -0.13 1.71 -0.37 0.00 -1.03 0.00 0.00 54.13 54.32 1pbq s LEU 86 Cb -0.07 -3.45 -0.16 0.00 0.03 0.00 0.00 46.19 42.54 1pbq s LEU 86 CO 0.01 0.06 1.43 0.55 0.23 0.00 0.00 176.35 178.62 1pbq n VAL 87 N 2.28 0.06 -0.18 -1.59 3.14 -0.34 -4.87 118.33 116.82 1pbq n VAL 87 Ca -0.01 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1pbq n VAL 87 Cb 0.49 -0.96 0.08 0.00 -1.06 0.00 0.00 33.84 32.39 1pbq n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pbq h ALA 88 N 5.15 0.69 -0.17 1.55 0.00 -1.92 -2.27 119.26 122.28 1pbq h ALA 88 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1pbq h ALA 88 Cb 1.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1pbq h ALA 88 CO 0.82 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1pbq n ASP 89 N -5.00 1.79 -1.42 0.00 5.68 -1.26 -4.95 116.55 111.39 1pbq n ASP 89 Ca 0.07 -1.72 -0.16 0.00 -0.50 0.00 0.00 54.79 52.47 1pbq n ASP 89 Cb 0.24 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 1pbq n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pbq n GLY 90 N 1.16 1.12 3.54 6.12 0.00 -0.86 -4.96 105.19 111.31 1pbq n GLY 90 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1pbq n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbq s LYS 91 N -3.77 1.94 0.06 1.61 0.00 -1.26 -5.01 119.74 113.30 1pbq s LYS 91 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 55.97 54.34 1pbq s LYS 91 Cb 0.00 -2.01 -0.25 0.00 0.00 0.00 0.00 37.83 35.57 1pbq s LYS 91 CO 0.00 0.38 1.15 0.74 0.00 0.00 0.00 175.35 177.62 1pbq h PHE 92 N 2.53 0.96 0.00 1.78 -1.00 -1.93 -1.82 116.94 117.46 1pbq h PHE 92 Ca -0.44 -0.54 0.00 0.00 2.81 0.00 0.00 57.97 59.79 1pbq h PHE 92 Cb 1.23 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.69 1pbq h PHE 92 CO 0.71 1.38 0.00 0.41 -1.61 0.00 0.00 178.31 179.20 1pbq n GLY 93 N 1.16 3.30 3.14 -1.45 0.00 -1.26 -2.38 105.19 107.69 1pbq n GLY 93 Ca -0.12 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1pbq n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbq s THR 94 N 0.00 0.17 -0.12 2.61 -4.23 -1.26 -4.89 115.64 107.92 1pbq s THR 94 Ca 0.00 -1.72 -0.19 0.00 -1.18 0.00 0.00 61.69 58.60 1pbq s THR 94 Cb 0.00 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1pbq s THR 94 CO 0.00 -0.77 0.50 -1.10 -0.54 0.00 0.00 174.62 172.71 1pbq s GLN 95 N -3.95 4.35 -0.39 3.99 -0.21 -1.26 -1.82 119.66 120.36 1pbq s GLN 95 Ca 0.12 0.49 0.11 0.00 0.02 0.00 0.00 55.36 56.10 1pbq s GLN 95 Cb 0.07 -3.44 0.39 0.00 1.00 0.00 0.00 33.01 31.02 1pbq s GLN 95 CO -0.06 0.13 1.12 0.39 -2.12 0.00 0.00 175.29 174.75 1pbq n GLU 96 N 3.73 1.12 -3.73 2.91 1.02 -1.26 -4.90 120.64 119.52 1pbq n GLU 96 Ca -0.06 -2.40 -0.12 0.00 -0.02 0.00 0.00 57.16 54.56 1pbq n GLU 96 Cb 0.52 -0.77 -0.13 0.00 -0.02 0.00 0.00 31.44 31.03 1pbq n GLU 96 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pbq s LYS 104 N -0.94 0.22 0.05 3.49 2.47 -1.26 -4.86 119.74 118.91 1pbq s LYS 104 Ca 0.26 0.51 0.01 0.00 -1.56 0.00 0.00 55.97 55.18 1pbq s LYS 104 Cb 0.38 -0.09 -0.03 0.00 -1.46 0.00 0.00 37.83 36.63 1pbq s LYS 104 CO -0.05 -0.15 -0.05 -1.83 0.16 0.00 0.00 175.35 173.43 1pbq s GLU 105 N 1.13 0.56 0.29 4.03 -1.05 -1.26 -5.14 118.70 117.26 1pbq s GLU 105 Ca -0.08 -0.97 -0.29 0.00 -0.15 0.00 0.00 54.97 53.48 1pbq s GLU 105 Cb -0.09 -0.04 -0.10 0.00 -0.44 0.00 0.00 34.13 33.46 1pbq s GLU 105 CO -0.08 -0.03 1.32 -1.58 0.95 0.00 0.00 175.26 175.84 1pbq s TRP 106 N -2.56 3.12 0.00 4.83 0.52 -1.26 -4.51 118.94 119.08 1pbq s TRP 106 Ca -0.02 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.42 1pbq s TRP 106 Cb -0.02 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.64 1pbq s TRP 106 CO -0.04 -1.92 0.00 0.27 0.02 0.00 0.00 176.95 175.29 1pbq n ASN 107 N 1.49 0.95 0.00 2.95 0.23 -0.76 -4.03 115.26 116.09 1pbq n ASN 107 Ca 0.02 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 1pbq n ASN 107 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1pbq n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pbq n GLY 108 N 5.00 1.00 0.23 4.83 0.00 -1.26 -1.15 105.19 113.83 1pbq n GLY 108 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1pbq n GLY 108 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1pbq h MET 109 N 0.00 0.42 -0.46 1.61 2.86 -0.95 -2.25 114.93 116.16 1pbq h MET 109 Ca 0.00 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1pbq h MET 109 Cb 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1pbq h MET 109 CO 0.00 0.67 0.21 0.52 1.06 0.00 0.00 176.91 179.37 1pbq h MET 110 N 0.37 0.41 -0.74 1.72 2.07 -1.49 -1.20 114.93 116.07 1pbq h MET 110 Ca 0.05 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1pbq h MET 110 Cb 0.69 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.29 1pbq h MET 110 CO 0.05 0.27 0.23 0.78 1.07 0.00 0.00 176.91 179.32 1pbq h GLY 111 N 0.42 1.24 2.00 8.32 0.00 -0.74 -2.48 103.07 111.83 1pbq h GLY 111 Ca 0.20 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1pbq h GLY 111 CO -0.16 0.69 -0.47 0.83 0.00 0.00 0.00 176.54 177.43 1pbq h GLU 112 N 1.11 0.00 -0.08 4.80 5.08 -1.01 -0.93 114.58 123.55 1pbq h GLU 112 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 1pbq h GLU 112 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pbq h GLU 112 CO -0.01 0.47 -0.78 1.25 -1.00 0.00 0.00 179.01 178.94 1pbq h LEU 113 N 0.00 0.59 -0.20 1.33 5.85 -1.06 0.10 115.31 121.92 1pbq h LEU 113 Ca -0.00 -0.40 -0.20 0.00 0.84 0.00 0.00 57.88 58.11 1pbq h LEU 113 Cb 0.90 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1pbq h LEU 113 CO 0.06 1.17 -0.92 -0.07 -0.34 0.00 0.00 178.44 178.34 1pbq h LEU 114 N 0.33 0.10 0.00 2.25 3.38 -1.28 -3.18 115.31 116.91 1pbq h LEU 114 Ca -0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pbq h LEU 114 Cb 1.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1pbq h LEU 114 CO 0.14 0.97 -0.14 -1.54 0.09 0.00 0.00 178.44 177.96 1pbq n SER 115 N -3.53 0.39 0.00 -0.43 3.41 -0.37 -4.91 113.62 108.18 1pbq n SER 115 Ca -0.02 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1pbq n SER 115 Cb 0.85 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1pbq n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pbq n GLY 116 N 1.42 0.80 0.09 5.00 0.00 -0.93 -4.89 105.19 106.69 1pbq n GLY 116 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1pbq n GLY 116 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pbq n GLN 117 N -2.00 0.09 -3.84 1.61 6.02 0.23 -4.58 117.38 114.90 1pbq n GLN 117 Ca 0.00 0.53 -0.11 0.00 -0.01 0.00 0.00 57.00 57.41 1pbq n GLN 117 Cb 0.00 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 29.42 1pbq n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pbq s ALA 118 N -3.28 -0.41 -0.06 -1.58 0.00 -0.46 -4.91 121.76 111.05 1pbq s ALA 118 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 51.96 51.96 1pbq s ALA 118 Cb 0.05 0.19 -0.21 0.00 0.00 0.00 0.00 23.12 23.14 1pbq s ALA 118 CO 0.16 -0.29 0.32 -0.25 0.00 0.00 0.00 175.76 175.70 1pbq n ASP 119 N 1.05 1.72 -3.69 0.00 10.43 0.13 -4.43 116.55 121.76 1pbq n ASP 119 Ca -0.21 -0.05 -0.14 0.00 2.57 0.00 0.00 54.79 56.96 1pbq n ASP 119 Cb 0.57 1.60 -0.09 0.00 1.84 0.00 0.00 41.12 45.04 1pbq n ASP 119 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1pbq s MET 120 N -2.93 0.63 -0.26 -1.24 0.00 -1.11 -4.51 119.30 109.88 1pbq s MET 120 Ca -0.04 0.62 -0.08 0.00 0.00 0.00 0.00 55.69 56.18 1pbq s MET 120 Cb 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 1pbq s MET 120 CO 0.58 -0.10 0.11 0.42 0.00 0.00 0.00 175.02 176.03 1pbq s ILE 121 N 0.06 4.64 -0.45 10.11 1.01 0.06 -1.52 121.20 135.11 1pbq s ILE 121 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1pbq s ILE 121 Cb -0.03 -3.18 0.12 0.00 0.01 0.00 0.00 42.46 39.38 1pbq s ILE 121 CO 0.02 0.31 0.20 -0.69 0.00 0.00 0.00 174.94 174.78 1pbq s VAL 122 N 1.62 2.13 0.21 2.92 1.01 -0.98 -1.64 120.40 125.67 1pbq s VAL 122 Ca 0.06 -2.83 -0.23 0.00 0.00 0.00 0.00 61.98 58.99 1pbq s VAL 122 Cb -0.15 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.78 1pbq s VAL 122 CO 0.06 -0.78 0.90 0.00 0.00 0.00 0.00 175.10 175.28 1pbq s ALA 123 N 0.21 -1.45 -1.32 5.51 0.00 -1.26 -4.53 121.76 118.92 1pbq s ALA 123 Ca 0.16 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1pbq s ALA 123 Cb -0.24 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1pbq s ALA 123 CO -0.03 -1.04 2.15 -0.35 0.00 0.00 0.00 175.76 176.48 1pbq n PRO 124 N -0.51 2.60 -3.02 0.00 -0.04 -1.26 -4.64 135.00 128.12 1pbq n PRO 124 Ca -0.05 -2.49 -0.42 0.00 -0.04 0.00 0.00 63.50 60.50 1pbq n PRO 124 Cb 0.60 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.77 1pbq n PRO 124 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pbq s LEU 125 N 2.19 4.14 0.14 1.53 2.96 -1.26 -4.98 118.68 123.40 1pbq s LEU 125 Ca 0.50 0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 54.54 1pbq s LEU 125 Cb 0.13 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.80 1pbq s LEU 125 CO -0.04 -0.60 1.33 -0.89 -1.32 0.00 0.00 176.35 174.83 1pbq s THR 126 N 2.85 3.38 0.02 3.68 2.01 -1.26 -2.16 115.64 124.15 1pbq s THR 126 Ca 0.29 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 63.06 1pbq s THR 126 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1pbq s THR 126 CO 0.14 0.11 0.88 -0.63 -0.69 0.00 0.00 174.62 174.43 1pbq s ILE 127 N 0.70 4.81 0.14 1.82 1.01 -0.23 -4.93 121.20 124.52 1pbq s ILE 127 Ca 0.60 1.85 -0.18 0.00 0.00 0.00 0.00 60.65 62.92 1pbq s ILE 127 Cb -0.35 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 37.94 1pbq s ILE 127 CO 0.33 0.25 0.47 0.54 0.00 0.00 0.00 174.94 176.53 1pbq s ASN 128 N 0.58 -0.33 0.19 3.58 6.03 -1.26 -4.60 114.94 119.12 1pbq s ASN 128 Ca 0.45 -0.24 -0.11 0.00 -1.03 0.00 0.00 52.86 51.93 1pbq s ASN 128 Cb -0.21 0.52 0.18 0.00 -3.03 0.00 0.00 41.25 38.71 1pbq s ASN 128 CO 0.25 -0.90 1.79 0.78 -2.03 0.00 0.00 177.10 176.99 1pbq h ASN 129 N 2.24 0.42 -0.45 3.54 2.35 -1.98 -1.78 115.58 119.94 1pbq h ASN 129 Ca -0.34 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.49 1pbq h ASN 129 Cb 1.27 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1pbq h ASN 129 CO 0.43 0.28 0.20 -0.08 -1.65 0.00 0.00 177.43 176.62 1pbq h GLU 130 N 0.56 0.39 -0.39 0.81 4.81 -2.01 -2.76 114.58 115.99 1pbq h GLU 130 Ca 0.25 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1pbq h GLU 130 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1pbq h GLU 130 CO -0.18 0.26 -0.04 0.00 -0.73 0.00 0.00 179.01 178.32 1pbq h ARG 131 N 0.41 0.72 0.00 1.92 3.08 -1.91 -2.86 114.38 115.74 1pbq h ARG 131 Ca 0.20 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pbq h ARG 131 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1pbq h ARG 131 CO -0.16 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 1pbq n ALA 132 N -2.42 1.42 0.39 0.04 0.00 -0.69 -1.01 120.51 118.24 1pbq n ALA 132 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1pbq n ALA 132 Cb 0.32 -1.09 0.18 0.00 0.00 0.00 0.00 19.45 18.85 1pbq n ALA 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1pbq h GLN 133 N 0.00 0.00 0.00 0.00 -0.00 -1.25 -3.37 115.11 110.49 1pbq h GLN 133 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 1pbq h GLN 133 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 1pbq h GLN 133 CO 0.00 0.00 -1.35 0.66 -0.00 0.00 0.00 178.83 178.14 1pbq n TYR 134 N -2.50 0.00 -4.36 0.06 4.02 -0.18 -5.08 117.16 109.12 1pbq n TYR 134 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.72 1pbq n TYR 134 Cb 0.48 -0.22 -0.09 0.00 -0.02 0.00 0.00 39.34 39.50 1pbq n TYR 134 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1pbq s ILE 135 N -2.27 0.32 -0.13 -0.72 -4.36 -0.72 -4.52 121.20 108.80 1pbq s ILE 135 Ca -0.03 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 1pbq s ILE 135 Cb 0.03 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 1pbq s ILE 135 CO 0.25 0.00 -0.12 -1.83 0.24 0.00 0.00 174.94 173.48 1pbq s GLU 136 N -3.72 3.43 0.03 0.37 4.04 0.42 -4.37 118.70 118.90 1pbq s GLU 136 Ca 0.34 -0.66 -0.01 0.00 0.04 0.00 0.00 54.97 54.68 1pbq s GLU 136 Cb 0.04 -2.68 -0.04 0.00 0.02 0.00 0.00 34.13 31.47 1pbq s GLU 136 CO 0.19 0.22 0.19 -0.06 -1.84 0.00 0.00 175.26 173.96 1pbq s PHE 137 N 0.34 3.50 0.97 4.83 0.40 -1.26 -1.42 117.98 125.34 1pbq s PHE 137 Ca -0.10 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.36 1pbq s PHE 137 Cb -0.16 -1.78 0.22 0.00 0.51 0.00 0.00 43.02 41.81 1pbq s PHE 137 CO 0.05 0.60 1.32 -1.54 0.70 0.00 0.00 175.22 176.36 1pbq s SER 138 N -2.26 2.99 0.50 1.36 1.04 -0.72 -4.96 113.70 111.65 1pbq s SER 138 Ca 0.31 0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.62 1pbq s SER 138 Cb -0.13 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.84 1pbq s SER 138 CO 0.24 -2.80 1.24 -1.59 0.98 0.00 0.00 173.24 171.31 1pbq s LYS 139 N -5.87 3.49 0.29 4.02 0.00 -1.26 -4.65 119.74 115.76 1pbq s LYS 139 Ca 0.75 1.96 -0.30 0.00 0.00 0.00 0.00 55.97 58.39 1pbq s LYS 139 Cb -0.03 -2.34 -0.12 0.00 0.00 0.00 0.00 37.83 35.35 1pbq s LYS 139 CO 0.53 -0.82 1.53 -0.35 0.00 0.00 0.00 175.35 176.24 1pbq n PRO 140 N -0.73 2.53 0.00 1.78 -0.04 -1.26 -4.66 135.00 132.62 1pbq n PRO 140 Ca 0.09 0.90 0.12 0.00 -0.04 0.00 0.00 63.50 64.56 1pbq n PRO 140 Cb 0.47 -2.64 0.21 0.00 -0.04 0.00 0.00 33.50 31.50 1pbq n PRO 140 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1pbq n PHE 141 N 1.86 0.00 -3.64 0.54 1.16 -0.14 -4.89 117.46 112.36 1pbq n PHE 141 Ca 0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.58 1pbq n PHE 141 Cb 0.36 -0.18 -0.07 0.00 -1.61 0.00 0.00 39.48 37.98 1pbq n PHE 141 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1pbq s LYS 142 N -2.87 0.50 0.53 3.97 2.20 -1.25 -5.03 119.74 117.80 1pbq s LYS 142 Ca 0.14 0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 56.20 1pbq s LYS 142 Cb 0.18 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.66 1pbq s LYS 142 CO 0.68 -0.07 1.04 0.71 -0.36 0.00 0.00 175.35 177.35 1pbq s TYR 143 N 0.41 3.04 0.28 4.03 2.02 -1.26 -0.69 117.35 125.18 1pbq s TYR 143 Ca 0.01 1.54 0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1pbq s TYR 143 Cb -0.05 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1pbq s TYR 143 CO -0.07 -0.89 -0.16 -1.14 -1.57 0.00 0.00 175.55 171.72 1pbq s GLN 144 N -3.63 1.81 0.00 -0.62 -0.44 -0.20 -4.75 119.66 111.83 1pbq s GLN 144 Ca 0.65 -1.69 0.00 0.00 -2.50 0.00 0.00 55.36 51.82 1pbq s GLN 144 Cb -0.15 -1.85 0.00 0.00 -1.64 0.00 0.00 33.01 29.36 1pbq s GLN 144 CO 0.27 0.34 0.00 0.41 0.50 0.00 0.00 175.29 176.81 1pbq n GLY 145 N -0.68 0.02 3.67 2.59 0.00 -1.26 -1.56 105.19 107.97 1pbq n GLY 145 Ca -0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1pbq n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pbq s LEU 146 N 0.00 3.34 0.00 0.99 1.43 -0.15 -0.79 118.68 123.50 1pbq s LEU 146 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1pbq s LEU 146 Cb 0.00 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1pbq s LEU 146 CO 0.00 0.11 0.02 1.07 0.23 0.00 0.00 176.35 177.78 1pbq n THR 147 N 0.02 0.00 -4.32 5.49 5.66 -0.63 -1.78 114.28 118.72 1pbq n THR 147 Ca -0.10 -0.16 -0.25 0.00 -3.05 0.00 0.00 64.05 60.49 1pbq n THR 147 Cb 0.54 0.08 -0.17 0.00 -1.55 0.00 0.00 70.33 69.24 1pbq n THR 147 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pbq s ILE 148 N -2.18 1.04 -0.21 1.09 1.01 -1.24 -2.64 121.20 118.07 1pbq s ILE 148 Ca 0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1pbq s ILE 148 Cb 0.00 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1pbq s ILE 148 CO 0.02 0.35 0.15 -0.22 0.00 0.00 0.00 174.94 175.23 1pbq s LEU 149 N 1.03 4.17 0.24 2.97 2.96 -0.26 -0.71 118.68 129.08 1pbq s LEU 149 Ca -0.08 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1pbq s LEU 149 Cb -0.15 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1pbq s LEU 149 CO -0.01 0.13 0.26 0.68 -1.32 0.00 0.00 176.35 176.09 1pbq s VAL 150 N 0.64 0.00 0.36 1.68 -7.23 -0.57 -1.57 120.40 113.71 1pbq s VAL 150 Ca 0.08 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 1pbq s VAL 150 Cb -0.12 -2.45 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 1pbq s VAL 150 CO 0.01 0.00 1.16 -0.54 -0.31 0.00 0.00 175.10 175.41 1pbq s LYS 151 N -3.94 4.24 0.26 4.82 -0.14 -1.26 -1.84 119.74 121.88 1pbq s LYS 151 Ca 0.35 1.84 -0.29 0.00 -1.36 0.00 0.00 55.97 56.51 1pbq s LYS 151 Cb 0.04 -2.83 -0.15 0.00 -1.68 0.00 0.00 37.83 33.22 1pbq s LYS 151 CO 0.14 -0.16 0.99 1.17 -0.76 0.00 0.00 175.35 176.73 1pbq n LYS 152 N 0.40 1.18 0.00 1.68 4.81 -0.03 -1.52 118.16 124.69 1pbq n LYS 152 Ca 0.03 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1pbq n LYS 152 Cb 0.46 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1pbq n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pbq n GLY 153 N 1.45 3.37 3.78 3.14 0.00 -1.26 -5.01 105.19 110.67 1pbq n GLY 153 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1pbq n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbq s THR 154 N -2.64 4.36 -0.11 2.61 2.01 -0.57 -5.06 115.64 116.24 1pbq s THR 154 Ca 0.00 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1pbq s THR 154 Cb 0.00 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1pbq s THR 154 CO 0.00 0.37 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.05 1pbq s ARG 155 N -1.53 1.91 -0.06 4.92 0.52 -1.26 -4.92 118.95 118.53 1pbq s ARG 155 Ca 0.41 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1pbq s ARG 155 Cb -0.21 -1.73 0.02 0.00 0.52 0.00 0.00 34.95 33.55 1pbq s ARG 155 CO 0.25 -0.14 -0.05 0.42 0.02 0.00 0.00 175.30 175.80 1pbq s ILE 156 N 1.23 0.65 0.04 1.52 -1.09 -1.26 -5.05 121.20 117.25 1pbq s ILE 156 Ca -0.03 -0.15 0.30 0.00 -2.23 0.00 0.00 60.65 58.54 1pbq s ILE 156 Cb -0.14 -0.68 0.35 0.00 -1.58 0.00 0.00 42.46 40.41 1pbq s ILE 156 CO -0.04 0.27 1.90 0.71 -1.23 0.00 0.00 174.94 176.54 1pbq h THR 157 N 6.15 0.14 0.00 2.92 1.35 -1.97 -2.16 112.91 119.35 1pbq h THR 157 Ca -0.33 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1pbq h THR 157 Cb 1.15 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1pbq h THR 157 CO 0.43 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1pbq n GLY 158 N 0.20 0.72 0.17 5.82 0.00 -1.26 -1.74 105.19 109.09 1pbq n GLY 158 Ca 0.01 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1pbq n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pbq h ILE 159 N 0.00 0.00 -0.66 -0.61 6.09 -1.95 -2.16 117.51 118.22 1pbq h ILE 159 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1pbq h ILE 159 Cb 0.00 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.09 1pbq h ILE 159 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1pbq n ASN 160 N -2.38 3.63 -4.74 2.19 3.02 -1.26 -4.65 115.26 111.07 1pbq n ASN 160 Ca 0.00 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.14 1pbq n ASN 160 Cb 0.14 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1pbq n ASN 160 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pbq s ASP 161 N -1.05 6.56 0.54 6.41 2.15 -0.82 -4.79 116.67 125.68 1pbq s ASP 161 Ca 0.45 2.74 0.26 0.00 0.43 0.00 0.00 52.55 56.43 1pbq s ASP 161 Cb 0.24 -2.62 1.42 0.00 -0.30 0.00 0.00 42.92 41.66 1pbq s ASP 161 CO 0.31 -0.78 1.99 -0.65 -0.17 0.00 0.00 175.17 175.88 1pbq h PRO 162 N 5.24 0.00 0.00 4.34 0.11 -1.93 0.14 132.00 139.90 1pbq h PRO 162 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1pbq h PRO 162 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pbq h PRO 162 CO 0.80 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.51 1pbq h ARG 163 N 0.00 0.00 0.07 1.05 3.08 -1.90 -0.69 114.38 115.99 1pbq h ARG 163 Ca 0.24 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.94 1pbq h ARG 163 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1pbq h ARG 163 CO -0.00 0.09 -1.96 1.28 -1.07 0.00 0.00 179.97 178.30 1pbq n LEU 164 N -3.17 2.49 0.07 3.04 4.32 0.12 -4.04 117.00 119.83 1pbq n LEU 164 Ca 0.01 0.21 0.02 0.00 -0.02 0.00 0.00 56.01 56.23 1pbq n LEU 164 Cb 0.42 -1.04 0.37 0.00 -1.62 0.00 0.00 43.42 41.55 1pbq n LEU 164 CO 0.31 0.73 0.94 0.03 -1.22 0.00 0.00 177.39 178.19 1pbq h ARG 165 N -0.23 0.37 -3.01 3.23 -0.00 -0.82 -3.32 114.38 110.60 1pbq h ARG 165 Ca -0.45 -0.07 -0.62 0.00 -0.50 0.00 0.00 59.98 58.34 1pbq h ARG 165 Cb 1.84 -0.06 -0.41 0.00 0.00 0.00 0.00 29.97 31.34 1pbq h ARG 165 CO -0.03 0.42 -0.67 -0.80 0.00 0.00 0.00 179.97 178.89 1pbq s ASN 166 N -6.81 4.01 0.51 7.04 -0.87 -0.27 -4.78 114.94 113.76 1pbq s ASN 166 Ca -0.06 -3.36 -0.21 0.00 -1.57 0.00 0.00 52.86 47.66 1pbq s ASN 166 Cb 0.16 -1.35 -0.06 0.00 -0.02 0.00 0.00 41.25 39.98 1pbq s ASN 166 CO 0.74 -0.16 1.14 -2.16 -2.57 0.00 0.00 177.10 174.10 1pbq s PRO 167 N -0.69 3.51 0.21 -0.60 0.04 -1.25 -4.66 135.00 131.55 1pbq s PRO 167 Ca 0.23 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 1pbq s PRO 167 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1pbq s PRO 167 CO -0.11 -0.74 0.58 -1.54 0.04 0.00 0.00 177.00 175.23 1pbq s SER 168 N -1.61 -0.31 0.11 6.66 1.04 -1.26 -5.03 113.70 113.29 1pbq s SER 168 Ca 0.69 -0.43 0.12 0.00 0.48 0.00 0.00 55.95 56.81 1pbq s SER 168 Cb -0.26 0.61 0.56 0.00 0.10 0.00 0.00 66.02 67.04 1pbq s SER 168 CO 0.30 -1.10 1.37 -0.90 0.98 0.00 0.00 173.24 173.89 1pbq n ASP 169 N -0.37 0.22 0.24 7.02 5.75 -1.26 -2.43 116.55 125.72 1pbq n ASP 169 Ca -0.10 0.58 0.15 0.00 -0.01 0.00 0.00 54.79 55.42 1pbq n ASP 169 Cb 0.62 -0.62 0.54 0.00 -1.03 0.00 0.00 41.12 40.63 1pbq n ASP 169 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1pbq h LYS 170 N 0.00 0.00 -1.94 0.11 1.57 -2.00 -3.38 116.57 110.93 1pbq h LYS 170 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1pbq h LYS 170 Cb 0.12 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.12 1pbq h LYS 170 CO 0.00 0.00 -0.64 0.12 -0.57 0.00 0.00 179.45 178.36 1pbq s PHE 171 N -3.50 -0.50 -0.08 -1.35 2.19 -1.02 -5.06 117.98 108.66 1pbq s PHE 171 Ca 0.03 -0.44 -0.23 0.00 0.33 0.00 0.00 56.93 56.62 1pbq s PHE 171 Cb 0.08 -0.36 -0.03 0.00 -1.31 0.00 0.00 43.02 41.39 1pbq s PHE 171 CO 0.56 -0.97 0.71 0.42 1.83 0.00 0.00 175.22 177.77 1pbq s ILE 172 N 1.87 5.03 0.10 3.12 1.01 -1.26 -4.51 121.20 126.56 1pbq s ILE 172 Ca 0.14 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.29 1pbq s ILE 172 Cb -0.14 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1pbq s ILE 172 CO -0.16 0.22 -0.14 -0.72 0.00 0.00 0.00 174.94 174.15 1pbq s TYR 173 N 0.97 1.29 0.13 3.97 -0.85 -1.26 -1.56 117.35 120.04 1pbq s TYR 173 Ca 0.37 -0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 56.22 1pbq s TYR 173 Cb -0.18 -0.69 0.06 0.00 0.38 0.00 0.00 41.96 41.53 1pbq s TYR 173 CO 0.17 0.09 0.78 0.00 -1.52 0.00 0.00 175.55 175.08 1pbq n ALA 174 N 0.79 -2.05 -3.00 9.51 0.00 -0.68 -4.32 120.51 120.76 1pbq n ALA 174 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1pbq n ALA 174 Cb 0.56 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1pbq n ALA 174 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pbq n THR 175 N -0.55 0.00 -3.39 0.00 5.66 -1.26 -1.12 114.28 113.61 1pbq n THR 175 Ca -0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.61 1pbq n THR 175 Cb 0.44 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 1pbq n THR 175 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1pbq s VAL 176 N -1.55 5.21 0.26 1.08 1.01 -1.26 -1.44 120.40 123.71 1pbq s VAL 176 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1pbq s VAL 176 Cb 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 1pbq s VAL 176 CO 0.00 0.37 1.20 0.29 0.00 0.00 0.00 175.10 176.96 1pbq n LYS 177 N 3.49 1.64 -0.83 2.72 5.02 0.19 -2.01 118.16 128.37 1pbq n LYS 177 Ca -0.09 0.58 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 1pbq n LYS 177 Cb 0.52 -2.09 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1pbq n LYS 177 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pbq n GLN 178 N 1.26 -1.91 -1.55 1.97 1.13 -1.26 -4.95 117.38 112.07 1pbq n GLN 178 Ca 0.10 0.44 -0.30 0.00 -1.94 0.00 0.00 57.00 55.31 1pbq n GLN 178 Cb 0.31 -4.45 0.20 0.00 0.11 0.00 0.00 30.24 26.40 1pbq n GLN 178 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pbq s SER 179 N -1.58 2.40 0.33 1.08 1.04 -0.85 -4.82 113.70 111.29 1pbq s SER 179 Ca 0.00 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.97 1pbq s SER 179 Cb 0.00 -0.74 0.56 0.00 0.10 0.00 0.00 66.02 65.95 1pbq s SER 179 CO 0.00 -3.20 1.91 -1.28 0.98 0.00 0.00 173.24 171.65 1pbq h SER 180 N -1.95 0.65 -0.26 7.02 0.87 -1.92 -1.81 113.55 116.14 1pbq h SER 180 Ca -0.46 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 59.96 1pbq h SER 180 Cb 1.27 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1pbq h SER 180 CO 0.41 0.60 -0.08 0.58 -0.53 0.00 0.00 176.83 177.82 1pbq h VAL 181 N 0.71 1.29 -1.00 2.23 2.07 -1.92 -2.00 116.25 117.63 1pbq h VAL 181 Ca 0.17 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1pbq h VAL 181 Cb 0.17 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1pbq h VAL 181 CO -0.01 0.35 0.66 -0.78 0.02 0.00 0.00 177.57 177.80 1pbq h ASP 182 N 0.26 1.12 -0.46 0.57 3.58 -1.67 -2.19 116.42 117.63 1pbq h ASP 182 Ca 0.06 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 1pbq h ASP 182 Cb 0.55 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1pbq h ASP 182 CO 0.03 0.80 -0.06 0.40 -2.88 0.00 0.00 179.24 177.52 1pbq h ILE 183 N 1.32 1.27 -0.03 2.25 2.04 -1.20 -1.75 117.51 121.41 1pbq h ILE 183 Ca 0.38 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1pbq h ILE 183 Cb -0.10 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1pbq h ILE 183 CO -0.09 0.40 0.01 0.22 0.00 0.00 0.00 178.15 178.68 1pbq h TYR 184 N 0.69 0.02 -0.45 1.37 3.20 -0.95 -1.71 116.97 119.14 1pbq h TYR 184 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1pbq h TYR 184 Cb 0.59 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1pbq h TYR 184 CO 0.04 0.01 0.11 0.74 -1.64 0.00 0.00 178.16 177.43 1pbq h PHE 185 N 0.03 0.69 0.00 -3.82 0.04 -1.38 -2.18 116.94 110.31 1pbq h PHE 185 Ca 0.01 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1pbq h PHE 185 Cb 0.00 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1pbq h PHE 185 CO -0.08 0.59 -0.33 -0.09 -0.60 0.00 0.00 178.31 177.79 1pbq h ARG 186 N 0.66 0.00 -0.01 1.51 2.43 -0.96 -3.05 114.38 114.96 1pbq h ARG 186 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1pbq h ARG 186 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1pbq h ARG 186 CO -0.00 0.33 -0.41 0.54 -1.51 0.00 0.00 179.97 178.92 1pbq n ARG 187 N -3.90 0.75 -3.32 0.20 1.74 -0.67 -4.71 116.66 106.75 1pbq n ARG 187 Ca -0.02 -0.52 -0.47 0.00 -0.77 0.00 0.00 57.85 56.08 1pbq n ARG 187 Cb 0.40 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 1pbq n ARG 187 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pbq s GLN 188 N -2.60 3.46 0.33 5.56 -1.52 -0.92 -4.93 119.66 119.03 1pbq s GLN 188 Ca 0.20 -2.28 0.12 0.00 -1.95 0.00 0.00 55.36 51.44 1pbq s GLN 188 Cb 0.18 -4.40 0.99 0.00 -0.22 0.00 0.00 33.01 29.57 1pbq s GLN 188 CO 0.59 -1.30 1.67 -0.39 -0.25 0.00 0.00 175.29 175.61 1pbq h VAL 189 N 5.05 0.34 0.00 1.09 -1.51 -1.84 0.40 116.25 119.78 1pbq h VAL 189 Ca 0.01 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1pbq h VAL 189 Cb 1.05 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1pbq h VAL 189 CO 0.82 0.06 0.00 -0.62 -1.23 0.00 0.00 177.57 176.61 1pbq n GLU 190 N -5.05 0.05 -0.24 5.19 4.71 -1.26 -1.39 120.64 122.65 1pbq n GLU 190 Ca 0.29 0.29 0.06 0.00 -0.01 0.00 0.00 57.16 57.80 1pbq n GLU 190 Cb 0.89 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 30.00 1pbq n GLU 190 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1pbq n LEU 191 N -1.39 3.12 -0.25 -4.62 4.77 0.14 -4.76 117.00 114.01 1pbq n LEU 191 Ca 0.03 -2.35 0.06 0.00 -0.03 0.00 0.00 56.01 53.72 1pbq n LEU 191 Cb 0.07 -0.31 0.18 0.00 -2.33 0.00 0.00 43.42 41.03 1pbq n LEU 191 CO 0.06 0.69 0.88 0.77 -1.33 0.00 0.00 177.39 178.47 1pbq h SER 192 N 1.72 -0.16 -0.58 -1.43 4.64 -1.26 0.23 113.55 116.72 1pbq h SER 192 Ca 0.00 0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1pbq h SER 192 Cb 0.94 0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1pbq h SER 192 CO 0.07 -0.12 0.17 0.71 -0.87 0.00 0.00 176.83 176.79 1pbq h THR 193 N 0.18 1.24 -0.29 2.95 1.35 -1.86 0.11 112.91 116.59 1pbq h THR 193 Ca 0.42 -0.84 -0.03 0.00 -0.55 0.00 0.00 66.41 65.42 1pbq h THR 193 Cb 0.75 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1pbq h THR 193 CO -0.59 0.31 0.08 0.24 -0.25 0.00 0.00 175.52 175.31 1pbq h MET 194 N 0.82 0.47 -0.89 4.72 2.07 -1.52 -2.83 114.93 117.76 1pbq h MET 194 Ca 0.18 -0.11 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1pbq h MET 194 Cb 0.31 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.93 1pbq h MET 194 CO -0.00 0.54 0.55 -0.92 1.07 0.00 0.00 176.91 178.15 1pbq h TYR 195 N 0.31 1.15 -0.34 -0.22 3.20 -0.34 -1.18 116.97 119.54 1pbq h TYR 195 Ca 0.09 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1pbq h TYR 195 Cb 0.28 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1pbq h TYR 195 CO 0.01 0.76 0.23 0.00 -1.64 0.00 0.00 178.16 177.52 1pbq h ARG 196 N 1.22 0.32 0.03 1.82 -0.00 -0.63 0.14 114.38 117.27 1pbq h ARG 196 Ca 0.32 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.78 1pbq h ARG 196 Cb -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 29.82 1pbq h ARG 196 CO -0.06 0.21 -0.01 1.25 0.00 0.00 0.00 179.97 181.35 1pbq h HIS 197 N 0.33 -0.04 -0.54 3.04 -0.00 -1.10 -3.33 115.15 113.51 1pbq h HIS 197 Ca 0.14 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 1pbq h HIS 197 Cb 0.16 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.53 1pbq h HIS 197 CO -0.00 0.66 0.22 0.52 -0.00 0.00 0.00 177.93 179.34 1pbq h MET 198 N -0.84 0.41 -0.97 5.26 2.07 -0.89 -1.65 114.93 118.33 1pbq h MET 198 Ca -0.00 -0.02 0.28 0.00 -2.07 0.00 0.00 59.70 57.88 1pbq h MET 198 Cb 0.72 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.32 1pbq h MET 198 CO 0.01 0.27 0.74 0.93 1.07 0.00 0.00 176.91 179.93 1pbq h GLU 199 N 0.42 0.00 0.00 1.72 5.08 -0.84 0.44 114.58 121.40 1pbq h GLU 199 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1pbq h GLU 199 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pbq h GLU 199 CO -0.24 0.00 -0.41 0.36 -1.00 0.00 0.00 179.01 177.72 1pbq n LYS 200 N -4.10 0.01 0.00 2.33 0.00 -0.62 -4.29 118.16 111.48 1pbq n LYS 200 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1pbq n LYS 200 Cb 1.07 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.59 1pbq n LYS 200 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1pbq n HIS 201 N -1.51 0.00 -1.63 5.58 8.25 0.13 -5.08 115.22 120.96 1pbq n HIS 201 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1pbq n HIS 201 Cb 0.34 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 1pbq n HIS 201 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pbq n ASN 202 N -0.26 1.69 -4.99 0.41 5.03 0.02 -4.80 115.26 112.36 1pbq n ASN 202 Ca 0.00 1.13 -0.19 0.00 0.87 0.00 0.00 54.58 56.39 1pbq n ASN 202 Cb 0.05 -1.37 0.00 0.00 -1.02 0.00 0.00 39.78 37.44 1pbq n ASN 202 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1pbq s TYR 203 N -1.15 3.08 0.22 3.10 1.51 -0.52 -4.76 117.35 118.83 1pbq s TYR 203 Ca 0.59 -0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.54 1pbq s TYR 203 Cb -0.61 -2.13 0.17 0.00 -0.11 0.00 0.00 41.96 39.28 1pbq s TYR 203 CO 0.59 -0.16 1.50 0.93 -1.11 0.00 0.00 175.55 177.30 1pbq h GLU 204 N 0.75 0.15 -3.68 -0.62 4.39 -1.94 0.56 114.58 114.18 1pbq h GLU 204 Ca -0.45 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.05 1pbq h GLU 204 Cb 1.26 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1pbq h GLU 204 CO 0.52 0.80 -0.29 -1.54 -1.16 0.00 0.00 179.01 177.34 1pbq s SER 205 N -6.88 0.02 0.25 1.42 1.04 -1.26 -4.70 113.70 103.59 1pbq s SER 205 Ca -0.03 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 1pbq s SER 205 Cb 0.11 0.37 0.29 0.00 0.10 0.00 0.00 66.02 66.90 1pbq s SER 205 CO 0.80 -0.75 1.88 0.00 0.98 0.00 0.00 173.24 176.15 1pbq h ALA 206 N 2.67 1.23 -0.80 5.32 0.00 -1.96 -2.44 119.26 123.28 1pbq h ALA 206 Ca -0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1pbq h ALA 206 Cb 1.21 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1pbq h ALA 206 CO 0.53 0.63 0.51 0.00 0.00 0.00 0.00 179.25 180.93 1pbq h ALA 207 N 1.34 1.05 -0.30 0.00 0.00 -1.99 -0.96 119.26 118.39 1pbq h ALA 207 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1pbq h ALA 207 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pbq h ALA 207 CO -0.05 0.34 -0.42 0.93 0.00 0.00 0.00 179.25 180.05 1pbq h GLU 208 N 1.01 0.74 -0.44 0.00 5.08 -1.90 -2.43 114.58 116.65 1pbq h GLU 208 Ca 0.32 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1pbq h GLU 208 Cb -0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1pbq h GLU 208 CO -0.11 1.02 0.04 0.00 -1.00 0.00 0.00 179.01 178.96 1pbq h ALA 209 N 0.92 0.59 -0.81 3.43 0.00 -1.07 -0.93 119.26 121.39 1pbq h ALA 209 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1pbq h ALA 209 Cb 0.97 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1pbq h ALA 209 CO 0.09 0.34 0.35 0.82 0.00 0.00 0.00 179.25 180.85 1pbq h ILE 210 N 0.60 1.26 -0.42 0.00 2.04 -1.16 -2.00 117.51 117.84 1pbq h ILE 210 Ca 0.13 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1pbq h ILE 210 Cb 0.44 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1pbq h ILE 210 CO 0.02 0.32 -0.09 -0.61 0.00 0.00 0.00 178.15 177.79 1pbq h GLN 211 N 1.17 0.73 -0.35 2.37 5.75 -1.17 -2.57 115.11 121.02 1pbq h GLN 211 Ca 0.27 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1pbq h GLN 211 Cb 0.17 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1pbq h GLN 211 CO -0.03 0.80 0.00 0.00 -2.65 0.00 0.00 178.83 176.96 1pbq h ALA 212 N 1.23 1.35 -0.56 3.38 0.00 -0.55 -0.63 119.26 123.49 1pbq h ALA 212 Ca 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1pbq h ALA 212 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1pbq h ALA 212 CO 0.03 0.45 -0.03 0.28 0.00 0.00 0.00 179.25 179.98 1pbq h VAL 213 N 0.53 1.27 -0.18 0.00 2.07 -1.00 0.21 116.25 119.15 1pbq h VAL 213 Ca 0.11 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1pbq h VAL 213 Cb 0.33 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1pbq h VAL 213 CO 0.01 0.42 -0.37 0.03 0.02 0.00 0.00 177.57 177.67 1pbq h ARG 214 N 0.89 0.39 -0.24 1.57 3.08 -1.07 -2.65 114.38 116.35 1pbq h ARG 214 Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pbq h ARG 214 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1pbq h ARG 214 CO 0.03 0.71 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 1pbq n ASP 215 N -4.05 1.42 -2.36 7.04 8.00 -0.30 -4.91 116.55 121.40 1pbq n ASP 215 Ca -0.01 -1.92 -0.21 0.00 0.71 0.00 0.00 54.79 53.36 1pbq n ASP 215 Cb 0.47 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1pbq n ASP 215 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pbq n ASN 216 N 0.25 -5.90 0.01 -2.24 4.13 -0.82 -4.86 115.26 105.83 1pbq n ASN 216 Ca 0.11 -0.01 0.11 0.00 1.68 0.00 0.00 54.58 56.46 1pbq n ASN 216 Cb 0.24 -4.91 -0.14 0.00 -1.54 0.00 0.00 39.78 33.43 1pbq n ASN 216 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pbq n LYS 217 N -2.99 0.60 -4.05 3.52 5.02 0.69 -4.84 118.16 116.11 1pbq n LYS 217 Ca -0.25 -0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 55.68 1pbq n LYS 217 Cb 0.69 -1.56 -0.17 0.00 -0.02 0.00 0.00 35.03 33.97 1pbq n LYS 217 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pbq s LEU 218 N -4.51 1.12 0.09 -0.35 2.96 -0.84 -4.96 118.68 112.19 1pbq s LEU 218 Ca -0.06 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 1pbq s LEU 218 Cb 0.14 -0.55 -0.22 0.00 0.50 0.00 0.00 46.19 46.06 1pbq s LEU 218 CO 0.89 -0.10 1.15 0.45 -1.32 0.00 0.00 176.35 177.43 1pbq h HIS 219 N 7.65 0.05 -3.06 5.38 3.86 -1.61 -3.31 115.15 124.11 1pbq h HIS 219 Ca -0.31 -0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 58.69 1pbq h HIS 219 Cb 1.14 -0.00 -0.28 0.00 1.06 0.00 0.00 27.41 29.33 1pbq h HIS 219 CO 0.49 1.03 -0.45 0.00 0.86 0.00 0.00 177.93 179.86 1pbq s ALA 220 N -2.68 -0.60 -0.19 2.45 0.00 -0.79 -4.40 121.76 115.55 1pbq s ALA 220 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1pbq s ALA 220 Cb 0.09 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1pbq s ALA 220 CO 0.83 -0.16 -0.17 0.12 0.00 0.00 0.00 175.76 176.37 1pbq s PHE 221 N 0.77 2.82 -0.23 0.00 5.36 -0.61 -1.69 117.98 124.40 1pbq s PHE 221 Ca -0.05 -1.51 -0.17 0.00 -0.96 0.00 0.00 56.93 54.24 1pbq s PHE 221 Cb -0.06 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 1pbq s PHE 221 CO -0.05 -0.76 0.44 0.42 -1.46 0.00 0.00 175.22 173.81 1pbq s ILE 222 N 1.33 5.15 0.32 3.12 1.01 -0.28 -1.10 121.20 130.74 1pbq s ILE 222 Ca 0.05 0.75 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 1pbq s ILE 222 Cb -0.13 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1pbq s ILE 222 CO -0.11 0.17 0.69 1.87 0.00 0.00 0.00 174.94 177.56 1pbq n TRP 223 N 5.01 -2.10 -1.68 3.97 -0.00 -1.08 -4.54 117.44 117.02 1pbq n TRP 223 Ca -0.07 -1.54 -0.43 0.00 -0.00 0.00 0.00 57.50 55.46 1pbq n TRP 223 Cb 0.51 0.77 -0.01 0.00 -0.00 0.00 0.00 31.31 32.57 1pbq n TRP 223 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1pbq n ASP 224 N -1.43 2.63 -0.17 5.87 -0.08 -1.26 -1.61 116.55 120.49 1pbq n ASP 224 Ca -0.07 1.18 -0.07 0.00 -1.51 0.00 0.00 54.79 54.32 1pbq n ASP 224 Cb 0.50 -1.45 0.07 0.00 2.34 0.00 0.00 41.12 42.59 1pbq n ASP 224 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1pbq h SER 225 N 3.05 0.95 -0.18 1.67 4.64 -1.25 -1.84 113.55 120.59 1pbq h SER 225 Ca -0.45 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 60.57 1pbq h SER 225 Cb 1.29 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1pbq h SER 225 CO 0.67 1.01 -0.02 0.00 -0.87 0.00 0.00 176.83 177.62 1pbq h ALA 226 N 1.08 0.25 -0.39 5.18 0.00 -1.91 -0.94 119.26 122.53 1pbq h ALA 226 Ca 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pbq h ALA 226 Cb 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1pbq h ALA 226 CO 0.03 -0.01 0.23 0.28 0.00 0.00 0.00 179.25 179.77 1pbq h VAL 227 N 0.07 1.03 -0.50 0.00 2.07 -1.83 -1.12 116.25 115.98 1pbq h VAL 227 Ca 0.05 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1pbq h VAL 227 Cb 0.43 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1pbq h VAL 227 CO 0.01 0.08 -0.18 -0.07 0.02 0.00 0.00 177.57 177.43 1pbq h LEU 228 N 0.46 1.02 -1.26 2.57 3.38 -1.29 0.48 115.31 120.68 1pbq h LEU 228 Ca 0.16 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1pbq h LEU 228 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1pbq h LEU 228 CO -0.08 1.18 0.07 -0.33 0.09 0.00 0.00 178.44 179.37 1pbq h GLU 229 N 0.87 0.58 0.16 1.13 4.39 -1.00 0.99 114.58 121.69 1pbq h GLU 229 Ca 0.12 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1pbq h GLU 229 Cb 0.76 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1pbq h GLU 229 CO 0.06 0.55 -0.07 0.35 -1.16 0.00 0.00 179.01 178.74 1pbq h PHE 230 N 0.56 -0.19 -0.91 4.33 3.57 -0.87 -2.15 116.94 121.28 1pbq h PHE 230 Ca 0.13 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1pbq h PHE 230 Cb 0.25 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 1pbq h PHE 230 CO 0.01 0.16 0.59 0.93 -2.23 0.00 0.00 178.31 177.77 1pbq h GLU 231 N -0.57 1.01 -0.35 1.11 4.39 -0.56 -2.42 114.58 117.18 1pbq h GLU 231 Ca -0.02 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1pbq h GLU 231 Cb 0.44 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1pbq h GLU 231 CO 0.04 0.67 0.08 0.00 -1.16 0.00 0.00 179.01 178.64 1pbq h ALA 232 N 1.50 0.47 0.00 3.43 0.00 -0.76 -2.32 119.26 121.58 1pbq h ALA 232 Ca 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pbq h ALA 232 Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pbq h ALA 232 CO -0.14 0.14 -0.02 0.66 0.00 0.00 0.00 179.25 179.89 1pbq h SER 233 N 0.42 0.00 0.25 0.00 4.64 -0.90 -2.85 113.55 115.12 1pbq h SER 233 Ca 0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.09 1pbq h SER 233 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1pbq h SER 233 CO 0.00 0.02 -1.71 1.56 -0.87 0.00 0.00 176.83 175.83 1pbq h GLN 234 N 0.00 0.36 -5.11 4.77 4.20 -1.19 -3.20 115.11 114.94 1pbq h GLN 234 Ca -0.00 -0.62 -0.63 0.00 0.06 0.00 0.00 58.65 57.46 1pbq h GLN 234 Cb 0.07 0.23 -0.18 0.00 0.30 0.00 0.00 27.48 27.90 1pbq h GLN 234 CO 0.00 1.27 -0.57 0.15 -0.67 0.00 0.00 178.83 179.01 1pbq s LYS 235 N -2.59 3.87 0.48 1.46 1.02 -0.92 -0.66 119.74 122.40 1pbq s LYS 235 Ca -0.14 -0.38 0.17 0.00 0.02 0.00 0.00 55.97 55.63 1pbq s LYS 235 Cb 0.06 -3.33 1.14 0.00 -0.52 0.00 0.00 37.83 35.18 1pbq s LYS 235 CO 0.85 0.05 2.05 0.00 -0.92 0.00 0.00 175.35 177.38 1pbq n ASP 237 N -4.29 1.81 -4.33 0.00 5.75 -1.26 -4.85 116.55 109.38 1pbq n ASP 237 Ca -0.03 -1.83 -0.23 0.00 -0.01 0.00 0.00 54.79 52.70 1pbq n ASP 237 Cb 0.20 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 1pbq n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pbq s LEU 238 N -1.33 2.41 0.11 -2.12 1.43 -1.05 -0.85 118.68 117.29 1pbq s LEU 238 Ca 0.29 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1pbq s LEU 238 Cb 0.16 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.53 1pbq s LEU 238 CO 0.22 -0.00 0.35 0.68 0.23 0.00 0.00 176.35 177.83 1pbq s VAL 239 N -1.86 0.09 0.20 -1.59 -7.23 -0.77 -4.71 120.40 104.53 1pbq s VAL 239 Ca 0.15 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 1pbq s VAL 239 Cb -0.07 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1pbq s VAL 239 CO 0.07 -0.40 0.33 0.42 -0.31 0.00 0.00 175.10 175.21 1pbq s THR 240 N -3.77 5.28 0.03 5.32 -4.23 -1.26 -1.52 115.64 115.50 1pbq s THR 240 Ca 0.03 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.62 1pbq s THR 240 Cb 0.02 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1pbq s THR 240 CO -0.11 -0.23 0.19 0.28 -0.54 0.00 0.00 174.62 174.21 1pbq s THR 241 N -1.89 0.10 0.00 3.99 -1.32 0.11 -4.93 115.64 111.71 1pbq s THR 241 Ca 0.34 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1pbq s THR 241 Cb -0.10 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1pbq s THR 241 CO 0.29 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1pbq n GLY 242 N 0.81 -1.11 3.79 6.08 0.00 -0.81 -3.73 105.19 110.22 1pbq n GLY 242 Ca -0.19 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1pbq n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pbq s GLU 243 N -1.68 4.49 0.58 1.61 8.01 -0.71 -4.87 118.70 126.12 1pbq s GLU 243 Ca 0.00 1.25 -0.18 0.00 0.01 0.00 0.00 54.97 56.04 1pbq s GLU 243 Cb 0.00 -2.71 -0.04 0.00 -4.31 0.00 0.00 34.13 27.07 1pbq s GLU 243 CO 0.00 0.24 1.14 -0.51 0.01 0.00 0.00 175.26 176.14 1pbq s LEU 244 N -2.22 3.66 0.15 1.80 1.43 -1.26 -4.59 118.68 117.65 1pbq s LEU 244 Ca 0.51 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.78 1pbq s LEU 244 Cb -0.17 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 1pbq s LEU 244 CO 0.22 -1.37 0.07 0.72 0.23 0.00 0.00 176.35 176.21 1pbq s PHE 245 N -1.87 0.98 -1.03 0.29 -0.71 -0.73 -4.92 117.98 110.00 1pbq s PHE 245 Ca 0.72 -1.24 -0.11 0.00 -1.04 0.00 0.00 56.93 55.26 1pbq s PHE 245 Cb -0.24 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.01 1pbq s PHE 245 CO 0.31 -0.51 0.82 1.97 -1.34 0.00 0.00 175.22 176.47 1pbq n PHE 246 N -0.16 -2.30 -2.37 3.49 1.16 -1.26 -0.97 117.46 115.06 1pbq n PHE 246 Ca -0.04 0.73 -0.31 0.00 -1.87 0.00 0.00 57.45 55.96 1pbq n PHE 246 Cb 0.64 -3.77 -0.02 0.00 -1.61 0.00 0.00 39.48 34.72 1pbq n PHE 246 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1pbq s ARG 247 N -4.85 3.81 0.00 3.97 1.81 -1.26 -4.25 118.95 118.17 1pbq s ARG 247 Ca 0.37 0.77 0.00 0.00 -1.72 0.00 0.00 55.73 55.15 1pbq s ARG 247 Cb -0.09 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 1pbq s ARG 247 CO 0.80 -0.30 0.00 0.45 -0.68 0.00 0.00 175.30 175.57 1pbq n SER 248 N -1.86 1.10 -3.81 0.23 2.88 -0.60 -4.96 113.62 106.60 1pbq n SER 248 Ca 0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1pbq n SER 248 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1pbq n SER 248 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1pbq s GLY 249 N 0.00 0.08 -0.11 0.46 0.00 -1.26 -1.03 107.32 105.46 1pbq s GLY 249 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1pbq s GLY 249 CO 0.00 -0.41 -0.03 -1.36 0.00 0.00 0.00 173.10 171.30 1pbq s PHE 250 N -3.91 3.06 0.06 1.90 0.08 0.14 -1.07 117.98 118.23 1pbq s PHE 250 Ca 0.12 -0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 1pbq s PHE 250 Cb -0.00 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1pbq s PHE 250 CO -0.01 0.26 0.03 0.20 -0.10 0.00 0.00 175.22 175.60 1pbq s GLY 251 N -0.42 0.34 0.19 4.36 0.00 -0.92 -0.96 107.32 109.91 1pbq s GLY 251 Ca 0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 1pbq s GLY 251 CO 0.02 -1.10 1.21 -0.42 0.00 0.00 0.00 173.10 172.82 1pbq s ILE 252 N -3.64 3.51 -0.14 0.90 -1.09 -1.26 -4.42 121.20 115.06 1pbq s ILE 252 Ca 0.04 1.27 -0.08 0.00 -2.23 0.00 0.00 60.65 59.66 1pbq s ILE 252 Cb 0.05 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1pbq s ILE 252 CO -0.09 0.20 0.13 -0.83 -1.23 0.00 0.00 174.94 173.13 1pbq s GLY 253 N 0.14 2.13 0.04 6.18 0.00 -0.65 -1.75 107.32 113.40 1pbq s GLY 253 Ca 0.53 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 1pbq s GLY 253 CO 0.37 -0.27 0.15 1.06 0.00 0.00 0.00 173.10 174.41 1pbq s MET 254 N -0.73 0.65 0.71 2.90 -1.94 -0.50 -0.76 119.30 119.63 1pbq s MET 254 Ca 0.13 -0.68 -0.14 0.00 -1.71 0.00 0.00 55.69 53.29 1pbq s MET 254 Cb -0.12 0.26 0.03 0.00 2.01 0.00 0.00 34.83 37.02 1pbq s MET 254 CO 0.03 -0.18 1.13 1.03 -0.01 0.00 0.00 175.02 177.02 1pbq s ARG 255 N -2.59 2.41 0.27 2.03 0.52 -1.26 -0.43 118.95 119.89 1pbq s ARG 255 Ca -0.05 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 1pbq s ARG 255 Cb -0.01 -1.90 0.56 0.00 0.52 0.00 0.00 34.95 34.12 1pbq s ARG 255 CO -0.04 -1.57 1.79 0.87 0.02 0.00 0.00 175.30 176.37 1pbq h LYS 256 N -0.38 0.73 -0.84 3.54 1.79 -1.89 -2.23 116.57 117.29 1pbq h LYS 256 Ca -0.46 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 57.88 1pbq h LYS 256 Cb 1.26 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 1pbq h LYS 256 CO 0.52 0.49 0.10 -0.25 -1.08 0.00 0.00 179.45 179.23 1pbq n ASP 257 N -4.78 3.51 -4.74 0.86 10.43 -1.26 -4.95 116.55 115.62 1pbq n ASP 257 Ca 0.18 -2.61 -0.41 0.00 2.57 0.00 0.00 54.79 54.52 1pbq n ASP 257 Cb 0.42 -0.62 -0.04 0.00 1.84 0.00 0.00 41.12 42.72 1pbq n ASP 257 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1pbq s SER 258 N -0.36 7.13 0.00 -2.24 0.15 -0.84 -4.93 113.70 112.61 1pbq s SER 258 Ca 0.30 2.19 0.31 0.00 0.70 0.00 0.00 55.95 59.44 1pbq s SER 258 Cb 0.23 -2.60 1.65 0.00 -1.71 0.00 0.00 66.02 63.58 1pbq s SER 258 CO 0.08 -0.34 2.09 -2.65 1.20 0.00 0.00 173.24 173.61 1pbq n PRO 259 N 2.56 1.02 0.00 5.44 -0.02 -1.26 -3.65 135.00 139.09 1pbq n PRO 259 Ca 0.04 -0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1pbq n PRO 259 Cb 0.45 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 1pbq n PRO 259 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1pbq n TRP 260 N -0.82 0.05 -0.03 6.00 7.02 -1.26 -4.66 117.44 123.73 1pbq n TRP 260 Ca 0.21 0.01 -0.02 0.00 -1.02 0.00 0.00 57.50 56.69 1pbq n TRP 260 Cb 0.18 -0.19 -0.01 0.00 -2.42 0.00 0.00 31.31 28.87 1pbq n TRP 260 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1pbq h LYS 261 N 0.00 -0.04 -0.62 -0.99 1.57 -1.95 0.70 116.57 115.24 1pbq h LYS 261 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1pbq h LYS 261 Cb 0.63 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.85 1pbq h LYS 261 CO 0.00 -0.03 -0.00 -0.56 -0.57 0.00 0.00 179.45 178.29 1pbq h GLN 262 N -0.04 0.11 -0.25 3.15 -0.00 -1.87 -1.75 115.11 114.45 1pbq h GLN 262 Ca 0.01 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1pbq h GLN 262 Cb 0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 1pbq h GLN 262 CO -0.10 0.07 -0.25 -2.95 -0.00 0.00 0.00 178.83 175.61 1pbq h ASN 263 N 0.11 0.49 0.08 0.06 -1.07 -1.77 -1.47 115.58 112.01 1pbq h ASN 263 Ca 0.33 -0.16 -0.00 0.00 0.07 0.00 0.00 56.30 56.53 1pbq h ASN 263 Cb 0.53 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1pbq h ASN 263 CO -0.54 0.73 -0.04 0.58 0.07 0.00 0.00 177.43 178.23 1pbq h VAL 264 N 0.43 1.06 -0.70 6.14 2.07 -0.01 -1.49 116.25 123.74 1pbq h VAL 264 Ca 0.06 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1pbq h VAL 264 Cb 0.66 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1pbq h VAL 264 CO 0.05 0.12 0.34 0.28 0.02 0.00 0.00 177.57 178.38 1pbq h SER 265 N -0.33 0.90 -0.37 0.57 0.02 -1.34 -1.53 113.55 111.46 1pbq h SER 265 Ca -0.01 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1pbq h SER 265 Cb 0.28 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1pbq h SER 265 CO 0.02 0.76 0.22 -0.07 -1.14 0.00 0.00 176.83 176.61 1pbq h LEU 266 N 0.99 0.45 -0.38 5.07 3.38 -1.12 -0.20 115.31 123.49 1pbq h LEU 266 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1pbq h LEU 266 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1pbq h LEU 266 CO -0.03 0.38 0.18 -1.28 0.09 0.00 0.00 178.44 177.78 1pbq h SER 267 N 0.48 0.49 -0.36 -0.43 0.87 -0.90 -1.23 113.55 112.46 1pbq h SER 267 Ca 0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1pbq h SER 267 Cb 0.02 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1pbq h SER 267 CO -0.02 0.48 0.23 0.40 -0.53 0.00 0.00 176.83 177.38 1pbq h ILE 268 N 0.47 1.10 -0.83 2.23 2.04 -1.04 0.13 117.51 121.62 1pbq h ILE 268 Ca 0.13 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1pbq h ILE 268 Cb 0.11 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1pbq h ILE 268 CO -0.02 0.10 0.53 -0.07 0.00 0.00 0.00 178.15 178.69 1pbq h LEU 269 N 0.48 0.89 -0.56 1.44 3.38 -0.86 -1.06 115.31 119.02 1pbq h LEU 269 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1pbq h LEU 269 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1pbq h LEU 269 CO -0.03 0.62 0.12 0.07 0.09 0.00 0.00 178.44 179.31 1pbq h LYS 270 N 1.04 0.91 -0.01 1.13 -0.00 -0.57 -2.58 116.57 116.48 1pbq h LYS 270 Ca 0.33 -0.23 -0.04 0.00 -0.00 0.00 0.00 60.65 60.71 1pbq h LYS 270 Cb -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.10 1pbq h LYS 270 CO -0.11 0.86 -0.18 0.77 -0.00 0.00 0.00 179.45 180.79 1pbq h SER 271 N 0.81 0.02 0.66 7.07 0.02 -0.09 -1.03 113.55 121.02 1pbq h SER 271 Ca 0.17 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1pbq h SER 271 Cb 0.37 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1pbq h SER 271 CO 0.01 0.21 -0.49 0.45 -1.14 0.00 0.00 176.83 175.87 1pbq h HIS 272 N 0.02 0.00 0.00 3.45 3.86 -0.84 -1.87 115.15 119.77 1pbq h HIS 272 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1pbq h HIS 272 Cb 0.34 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1pbq h HIS 272 CO 0.00 0.49 -1.57 0.39 0.86 0.00 0.00 177.93 178.10 1pbq n GLU 273 N -3.74 0.63 -0.17 2.45 1.02 -0.67 -4.15 120.64 116.00 1pbq n GLU 273 Ca -0.01 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1pbq n GLU 273 Cb 0.54 -1.78 0.27 0.00 -0.02 0.00 0.00 31.44 30.45 1pbq n GLU 273 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pbq n ASN 274 N -2.91 2.68 0.00 1.62 2.04 -0.48 -4.93 115.26 113.27 1pbq n ASN 274 Ca -0.13 -1.90 0.00 0.00 -0.44 0.00 0.00 54.58 52.11 1pbq n ASN 274 Cb 0.92 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 1pbq n ASN 274 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pbq n GLY 275 N 1.33 0.81 0.17 4.83 0.00 -1.19 -4.95 105.19 106.20 1pbq n GLY 275 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1pbq n GLY 275 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pbq h PHE 276 N 0.00 0.52 -0.48 1.61 3.57 -1.68 -1.83 116.94 118.65 1pbq h PHE 276 Ca 0.00 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1pbq h PHE 276 Cb 0.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1pbq h PHE 276 CO 0.00 0.47 -0.11 0.52 -2.23 0.00 0.00 178.31 176.96 1pbq h MET 277 N 0.43 0.88 -0.58 1.11 2.86 -1.78 -2.35 114.93 115.49 1pbq h MET 277 Ca 0.12 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1pbq h MET 277 Cb 0.15 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1pbq h MET 277 CO -0.01 0.95 0.23 0.93 1.06 0.00 0.00 176.91 180.06 1pbq h GLU 278 N 0.79 0.85 -0.19 1.72 5.08 -1.78 -0.98 114.58 120.06 1pbq h GLU 278 Ca 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1pbq h GLU 278 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1pbq h GLU 278 CO 0.04 0.70 0.02 -0.44 -1.00 0.00 0.00 179.01 178.34 1pbq h ASP 279 N 0.83 0.31 -1.00 1.42 3.32 -1.03 0.26 116.42 120.54 1pbq h ASP 279 Ca 0.20 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 57.07 1pbq h ASP 279 Cb 0.17 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 1pbq h ASP 279 CO -0.02 0.51 0.63 -0.07 -1.72 0.00 0.00 179.24 178.57 1pbq h LEU 280 N 0.11 0.97 -0.34 1.55 3.38 -1.05 0.79 115.31 120.73 1pbq h LEU 280 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1pbq h LEU 280 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1pbq h LEU 280 CO 0.01 0.57 0.16 -0.78 0.09 0.00 0.00 178.44 178.49 1pbq h ASP 281 N 1.08 0.44 -0.42 -0.43 1.82 -0.81 0.19 116.42 118.29 1pbq h ASP 281 Ca 0.46 -0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.91 1pbq h ASP 281 Cb 0.32 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1pbq h ASP 281 CO -0.22 0.45 0.04 0.11 -1.61 0.00 0.00 179.24 178.01 1pbq h LYS 282 N 0.41 0.80 -0.08 0.28 1.79 0.12 -1.56 116.57 118.32 1pbq h LYS 282 Ca 0.12 -0.20 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 1pbq h LYS 282 Cb 0.12 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1pbq h LYS 282 CO -0.01 0.78 -0.69 1.15 -1.08 0.00 0.00 179.45 179.59 1pbq h THR 283 N 0.75 1.34 0.00 -0.16 2.02 0.87 -3.42 112.91 114.31 1pbq h THR 283 Ca 0.15 -1.99 -0.26 0.00 0.77 0.00 0.00 66.41 65.08 1pbq h THR 283 Cb 0.40 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1pbq h THR 283 CO 0.01 0.61 -1.99 0.79 0.37 0.00 0.00 175.52 175.31 1pbq n TRP 284 N -4.08 0.00 0.03 3.16 7.02 0.02 -4.77 117.44 118.81 1pbq n TRP 284 Ca -0.09 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.28 1pbq n TRP 284 Cb 0.70 -0.71 -0.05 0.00 -2.42 0.00 0.00 31.31 28.83 1pbq n TRP 284 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1pbq h VAL 285 N 0.00 0.83 -4.03 -0.99 2.07 -1.44 -3.44 116.25 109.24 1pbq h VAL 285 Ca -0.39 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 66.63 1pbq h VAL 285 Cb 1.88 0.83 -0.30 0.00 -1.52 0.00 0.00 31.29 32.18 1pbq h VAL 285 CO 0.02 0.00 -0.82 -0.13 0.02 0.00 0.00 177.57 176.67 1pbq s ARG 286 N -6.18 1.30 -0.80 1.57 3.00 -1.26 -3.83 118.95 112.75 1pbq s ARG 286 Ca -0.14 -0.50 -0.20 0.00 0.00 0.00 0.00 55.73 54.90 1pbq s ARG 286 Cb 0.08 -1.20 0.11 0.00 0.00 0.00 0.00 34.95 33.93 1pbq s ARG 286 CO 0.67 0.25 1.03 0.71 0.00 0.00 0.00 175.30 177.95 1pbq s TYR 287 N -0.10 2.94 0.00 -0.53 2.02 -1.26 -4.94 117.35 115.47 1pbq s TYR 287 Ca 0.01 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.67 1pbq s TYR 287 Cb -0.08 -4.26 0.00 0.00 -0.40 0.00 0.00 41.96 37.22 1pbq s TYR 287 CO 0.00 -1.53 0.00 1.04 -1.57 0.00 0.00 175.55 173.49 1pbq n GLN 288 N 6.97 0.00 -4.39 -0.62 6.02 -1.26 -4.26 117.38 119.84 1pbq n GLN 288 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.86 1pbq n GLN 288 Cb 0.47 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.62 1pbq n GLN 288 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pbq s GLU 289 N 0.00 1.44 0.77 -1.09 2.02 -1.26 -5.09 118.70 115.48 1pbq s GLU 289 Ca 0.00 -1.55 -0.12 0.00 0.02 0.00 0.00 54.97 53.33 1pbq s GLU 289 Cb 0.00 -1.53 0.06 0.00 0.10 0.00 0.00 34.13 32.75 1pbq s GLU 289 CO 0.00 0.30 1.12 0.00 0.02 0.00 0.00 175.26 176.71