#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqh s PRO 5 N 0.00 0.83 -0.25 0.00 0.04 -1.26 -4.53 135.00 129.82 1bqh s PRO 5 Ca 0.00 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 1bqh s PRO 5 Cb 0.00 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.88 1bqh s PRO 5 CO 0.00 -2.65 0.68 -1.21 0.04 0.00 0.00 177.00 173.86 1bqh s GLU 6 N -4.70 0.80 -0.35 4.56 2.02 0.28 -4.92 118.70 116.39 1bqh s GLU 6 Ca 0.66 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.58 1bqh s GLU 6 Cb -0.21 0.39 0.08 0.00 0.10 0.00 0.00 34.13 34.49 1bqh s GLU 6 CO 0.59 -0.10 0.08 -0.51 0.02 0.00 0.00 175.26 175.34 1bqh s LEU 7 N 0.34 4.56 0.37 1.80 1.43 -1.26 0.19 118.68 126.10 1bqh s LEU 7 Ca -0.00 -1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 51.20 1bqh s LEU 7 Cb -0.05 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1bqh s LEU 7 CO 0.01 -0.39 0.80 -0.13 0.23 0.00 0.00 176.35 176.87 1bqh s ARG 8 N 1.13 4.01 -0.03 1.70 0.52 -0.61 -4.10 118.95 121.57 1bqh s ARG 8 Ca 0.03 0.74 0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1bqh s ARG 8 Cb -0.21 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 32.92 1bqh s ARG 8 CO -0.04 0.07 -0.02 -1.50 0.02 0.00 0.00 175.30 173.83 1bqh s ILE 9 N -2.12 0.26 -0.01 1.52 2.07 -1.26 -1.07 121.20 120.59 1bqh s ILE 9 Ca 0.55 -0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.82 1bqh s ILE 9 Cb -0.10 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 1bqh s ILE 9 CO 0.19 0.14 -0.08 0.12 -1.91 0.00 0.00 174.94 173.41 1bqh s PHE 10 N 0.75 0.71 1.10 3.50 2.19 -0.36 -4.14 117.98 121.74 1bqh s PHE 10 Ca -0.08 -0.14 -0.18 0.00 0.33 0.00 0.00 56.93 56.86 1bqh s PHE 10 Cb -0.11 -0.46 0.25 0.00 -1.31 0.00 0.00 43.02 41.39 1bqh s PHE 10 CO -0.01 -0.01 1.22 -1.25 1.83 0.00 0.00 175.22 176.99 1bqh s PRO 11 N -0.18 -0.48 0.21 10.12 0.05 -1.26 0.65 135.00 144.11 1bqh s PRO 11 Ca 0.03 -0.28 0.08 0.00 0.05 0.00 0.00 61.00 60.88 1bqh s PRO 11 Cb -0.03 -1.70 0.12 0.00 0.05 0.00 0.00 34.50 32.94 1bqh s PRO 11 CO -0.00 -3.18 1.47 0.87 0.05 0.00 0.00 177.00 176.21 1bqh h LYS 12 N -2.20 0.03 -2.01 4.56 1.57 -1.99 -3.46 116.57 113.07 1bqh h LYS 12 Ca -0.44 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 1bqh h LYS 12 Cb 1.26 0.01 -0.19 0.00 0.08 0.00 0.00 32.23 33.39 1bqh h LYS 12 CO 0.34 0.79 0.40 -1.59 -0.57 0.00 0.00 179.45 178.81 1bqh s LYS 13 N -3.27 0.85 -0.23 3.15 -2.85 -1.26 -4.49 119.74 111.65 1bqh s LYS 13 Ca -0.01 0.01 -0.04 0.00 -1.00 0.00 0.00 55.97 54.93 1bqh s LYS 13 Cb 0.11 0.40 0.12 0.00 -2.06 0.00 0.00 37.83 36.40 1bqh s LYS 13 CO 0.79 -0.31 0.36 -1.64 0.10 0.00 0.00 175.35 174.65 1bqh s MET 14 N -1.89 0.31 -0.55 1.78 -1.94 -0.15 -4.98 119.30 111.88 1bqh s MET 14 Ca -0.03 0.58 -0.17 0.00 -1.71 0.00 0.00 55.69 54.36 1bqh s MET 14 Cb -0.01 -0.42 0.11 0.00 2.01 0.00 0.00 34.83 36.52 1bqh s MET 14 CO -0.00 -0.57 0.58 -0.51 -0.01 0.00 0.00 175.02 174.51 1bqh s ASP 15 N 2.52 6.19 0.12 3.03 1.11 -1.26 -2.17 116.67 126.22 1bqh s ASP 15 Ca 0.09 -1.57 0.02 0.00 0.18 0.00 0.00 52.55 51.28 1bqh s ASP 15 Cb -0.15 -2.25 0.02 0.00 1.07 0.00 0.00 42.92 41.61 1bqh s ASP 15 CO -0.15 -0.94 0.16 0.00 1.18 0.00 0.00 175.17 175.42 1bqh n ALA 16 N 5.71 0.26 -2.79 5.23 0.00 0.13 -4.50 120.51 124.55 1bqh n ALA 16 Ca -0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 1bqh n ALA 16 Cb 0.42 0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 1bqh n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bqh s GLU 17 N -2.56 0.31 0.04 0.00 2.56 -1.26 -0.51 118.70 117.28 1bqh s GLU 17 Ca 0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 54.97 54.69 1bqh s GLU 17 Cb -0.01 -0.30 -0.13 0.00 2.00 0.00 0.00 34.13 35.69 1bqh s GLU 17 CO 0.08 0.08 0.62 -0.11 -0.56 0.00 0.00 175.26 175.37 1bqh n LEU 18 N 2.95 -0.23 0.00 2.70 7.94 -1.24 -1.28 117.00 127.84 1bqh n LEU 18 Ca -0.13 0.78 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1bqh n LEU 18 Cb 0.59 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1bqh n LEU 18 CO 0.25 -1.48 0.00 0.61 -1.11 0.00 0.00 177.39 175.66 1bqh n GLY 19 N 1.10 2.89 3.81 -3.96 0.00 -1.17 -4.82 105.19 103.03 1bqh n GLY 19 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1bqh n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bqh s GLN 20 N -0.09 4.01 -0.28 1.61 -2.07 -0.40 -4.24 119.66 118.20 1bqh s GLN 20 Ca 0.00 1.27 -0.19 0.00 -1.82 0.00 0.00 55.36 54.61 1bqh s GLN 20 Cb 0.00 -2.16 -0.02 0.00 -1.09 0.00 0.00 33.01 29.74 1bqh s GLN 20 CO 0.00 -0.23 0.58 0.21 -1.32 0.00 0.00 175.29 174.52 1bqh s LYS 21 N -3.15 3.97 -0.15 9.60 2.20 -1.19 -1.28 119.74 129.74 1bqh s LYS 21 Ca 0.64 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 56.51 1bqh s LYS 21 Cb -0.14 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1bqh s LYS 21 CO 0.17 -0.47 0.03 0.08 -0.36 0.00 0.00 175.35 174.80 1bqh s VAL 22 N 2.46 4.48 -0.25 4.02 1.01 -0.67 -4.92 120.40 126.53 1bqh s VAL 22 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1bqh s VAL 22 Cb -0.15 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1bqh s VAL 22 CO 0.10 0.51 0.02 -1.81 0.00 0.00 0.00 175.10 173.92 1bqh s ASP 23 N 0.01 4.74 -0.27 3.32 1.11 -1.26 0.37 116.67 124.69 1bqh s ASP 23 Ca 0.04 -0.48 -0.04 0.00 0.18 0.00 0.00 52.55 52.24 1bqh s ASP 23 Cb -0.13 -1.82 0.02 0.00 1.07 0.00 0.00 42.92 42.07 1bqh s ASP 23 CO 0.02 -0.08 0.01 -0.76 1.18 0.00 0.00 175.17 175.53 1bqh s LEU 24 N 1.50 3.55 0.05 1.23 1.43 -0.17 -4.35 118.68 121.92 1bqh s LEU 24 Ca 0.04 -0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1bqh s LEU 24 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1bqh s LEU 24 CO -0.00 -0.17 0.19 -0.69 0.23 0.00 0.00 176.35 175.91 1bqh s VAL 25 N 1.40 5.29 -0.10 -1.59 1.01 0.21 0.16 120.40 126.78 1bqh s VAL 25 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1bqh s VAL 25 Cb -0.17 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1bqh s VAL 25 CO -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 175.10 175.22 1bqh s GLU 27 N 1.80 3.72 -0.44 0.00 2.12 -0.23 -0.92 118.70 124.75 1bqh s GLU 27 Ca 0.05 -0.45 -0.22 0.00 0.36 0.00 0.00 54.97 54.71 1bqh s GLU 27 Cb -0.12 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1bqh s GLU 27 CO -0.07 -0.18 0.72 0.08 -0.54 0.00 0.00 175.26 175.27 1bqh s VAL 28 N 1.61 4.73 0.04 3.70 1.01 -0.89 -1.57 120.40 129.03 1bqh s VAL 28 Ca 0.06 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1bqh s VAL 28 Cb -0.15 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1bqh s VAL 28 CO 0.05 -0.65 0.20 -0.76 0.00 0.00 0.00 175.10 173.94 1bqh s LEU 29 N 3.07 4.36 0.00 3.92 1.02 0.13 -4.85 118.68 126.34 1bqh s LEU 29 Ca 0.27 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1bqh s LEU 29 Cb -0.13 -2.84 0.00 0.00 0.02 0.00 0.00 46.19 43.24 1bqh s LEU 29 CO 0.21 0.20 0.00 0.61 0.02 0.00 0.00 176.35 177.39 1bqh n GLY 30 N 0.51 -2.42 3.67 -3.19 0.00 -1.26 -0.56 105.19 101.94 1bqh n GLY 30 Ca -0.07 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1bqh n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bqh s SER 31 N -2.82 6.83 -0.22 1.61 1.04 -1.26 -4.90 113.70 113.98 1bqh s SER 31 Ca 0.00 1.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 1bqh s SER 31 Cb 0.00 -2.40 0.09 0.00 0.10 0.00 0.00 66.02 63.82 1bqh s SER 31 CO 0.00 -0.29 0.18 -0.69 0.98 0.00 0.00 173.24 173.42 1bqh s VAL 32 N 1.82 -0.24 0.01 5.02 1.01 -1.26 -4.55 120.40 122.20 1bqh s VAL 32 Ca 0.33 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 1bqh s VAL 32 Cb -0.16 -0.74 -0.18 0.00 0.00 0.00 0.00 36.38 35.30 1bqh s VAL 32 CO 0.12 -0.34 1.24 -1.28 0.00 0.00 0.00 175.10 174.84 1bqh h SER 33 N 8.35 0.30 -2.51 3.32 0.87 -1.96 -3.45 113.55 118.47 1bqh h SER 33 Ca -0.16 -0.58 -0.26 0.00 -1.23 0.00 0.00 61.79 59.56 1bqh h SER 33 Cb 1.12 -0.09 0.14 0.00 -0.44 0.00 0.00 62.40 63.13 1bqh h SER 33 CO 0.32 0.82 -0.03 0.00 -0.53 0.00 0.00 176.83 177.41 1bqh n GLN 34 N -4.56 -3.27 -0.49 2.24 1.13 -1.26 -4.62 117.38 106.56 1bqh n GLN 34 Ca -0.08 -1.07 0.00 0.00 -1.94 0.00 0.00 57.00 53.91 1bqh n GLN 34 Cb 0.41 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1bqh n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqh n GLY 35 N -3.22 1.46 3.37 1.08 0.00 -1.26 -4.37 105.19 102.25 1bqh n GLY 35 Ca 0.10 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1bqh n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqh s SER 37 N 0.28 4.16 -0.21 0.00 0.01 -0.08 -0.26 113.70 117.61 1bqh s SER 37 Ca -0.10 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 1bqh s SER 37 Cb -0.16 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 1bqh s SER 37 CO 0.06 0.35 -0.02 0.26 0.41 0.00 0.00 173.24 174.30 1bqh s TRP 38 N -0.73 3.00 0.25 2.43 0.52 0.52 -0.23 118.94 124.70 1bqh s TRP 38 Ca 0.11 -0.63 0.03 0.00 0.02 0.00 0.00 56.10 55.63 1bqh s TRP 38 Cb -0.11 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 1bqh s TRP 38 CO 0.01 -0.35 0.04 -0.51 0.02 0.00 0.00 176.95 176.16 1bqh s LEU 39 N 1.17 1.98 -0.01 2.99 1.02 -0.47 -1.08 118.68 124.28 1bqh s LEU 39 Ca 0.03 -1.30 -0.28 0.00 0.02 0.00 0.00 54.13 52.59 1bqh s LEU 39 Cb -0.14 -0.16 0.09 0.00 0.02 0.00 0.00 46.19 45.99 1bqh s LEU 39 CO 0.00 -0.61 0.77 0.72 0.02 0.00 0.00 176.35 177.25 1bqh s PHE 40 N -3.55 -0.50 -0.14 0.29 -0.12 -0.72 -1.36 117.98 111.89 1bqh s PHE 40 Ca 0.33 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.82 1bqh s PHE 40 Cb 0.07 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1bqh s PHE 40 CO 0.11 -0.60 -0.11 1.14 -0.05 0.00 0.00 175.22 175.71 1bqh s GLN 41 N -2.29 1.95 0.58 1.99 -2.07 -0.70 -1.69 119.66 117.43 1bqh s GLN 41 Ca -0.02 -0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 53.00 1bqh s GLN 41 Cb -0.01 -1.96 0.03 0.00 -1.09 0.00 0.00 33.01 29.98 1bqh s GLN 41 CO -0.02 -0.28 0.86 0.54 -1.32 0.00 0.00 175.29 175.06 1bqh s ASN 42 N 1.56 5.34 0.57 12.60 4.22 -1.26 -0.39 114.94 137.59 1bqh s ASN 42 Ca 0.04 0.38 0.00 0.00 -2.14 0.00 0.00 52.86 51.14 1bqh s ASN 42 Cb -0.13 -1.29 0.00 0.00 1.28 0.00 0.00 41.25 41.10 1bqh s ASN 42 CO -0.09 -1.16 0.00 -1.20 -2.04 0.00 0.00 177.10 172.60 1bqh n SER 43 N -2.52 -0.45 0.00 3.54 7.64 -1.06 -3.75 113.62 117.01 1bqh n SER 43 Ca 0.06 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1bqh n SER 43 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1bqh n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bqh n SER 44 N -1.70 0.00 -4.08 6.43 7.64 -1.26 -4.94 113.62 115.70 1bqh n SER 44 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1bqh n SER 44 Cb 0.00 -0.27 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 1bqh n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bqh s SER 45 N -3.13 3.32 0.10 6.43 0.15 -1.25 -5.03 113.70 114.29 1bqh s SER 45 Ca 0.00 -0.78 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1bqh s SER 45 Cb 0.00 -1.42 -0.13 0.00 -1.71 0.00 0.00 66.02 62.77 1bqh s SER 45 CO 0.00 -0.06 1.63 0.11 1.20 0.00 0.00 173.24 176.12 1bqh h LYS 46 N 7.93 -0.61 -6.18 5.44 6.56 -1.92 -3.42 116.57 124.37 1bqh h LYS 46 Ca -0.38 0.04 -0.55 0.00 -1.06 0.00 0.00 60.65 58.70 1bqh h LYS 46 Cb 1.12 0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.87 1bqh h LYS 46 CO 0.57 -0.41 0.10 -0.51 -2.06 0.00 0.00 179.45 177.14 1bqh s LEU 47 N -10.20 4.41 -0.90 2.94 1.43 -1.26 -4.96 118.68 110.14 1bqh s LEU 47 Ca -0.16 1.31 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1bqh s LEU 47 Cb 0.06 -3.11 -0.19 0.00 0.03 0.00 0.00 46.19 42.97 1bqh s LEU 47 CO 0.64 0.02 2.10 -2.65 0.23 0.00 0.00 176.35 176.68 1bqh n PRO 48 N 2.97 0.21 -3.58 1.29 -0.02 -1.26 -4.89 135.00 129.72 1bqh n PRO 48 Ca -0.03 -1.23 -0.41 0.00 -2.02 0.00 0.00 63.50 59.80 1bqh n PRO 48 Cb 0.51 -3.48 -0.10 0.00 -0.02 0.00 0.00 33.50 30.40 1bqh n PRO 48 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1bqh s GLN 49 N 8.27 2.75 0.67 -0.52 2.00 -1.26 -5.09 119.66 126.49 1bqh s GLN 49 Ca 0.80 -1.24 -0.15 0.00 -2.00 0.00 0.00 55.36 52.77 1bqh s GLN 49 Cb -0.10 -3.78 0.01 0.00 0.80 0.00 0.00 33.01 29.93 1bqh s GLN 49 CO 0.16 -0.82 1.12 -1.25 -0.50 0.00 0.00 175.29 174.00 1bqh s PRO 50 N 1.51 2.72 -0.03 1.67 0.04 -1.26 -4.64 135.00 135.00 1bqh s PRO 50 Ca 0.02 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1bqh s PRO 50 Cb -0.21 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1bqh s PRO 50 CO 0.05 -1.32 -0.01 0.95 0.04 0.00 0.00 177.00 176.71 1bqh s THR 51 N -2.33 0.26 0.24 1.26 -4.23 -0.68 -4.98 115.64 105.19 1bqh s THR 51 Ca 0.67 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.91 1bqh s THR 51 Cb -0.21 -0.33 -0.09 0.00 1.34 0.00 0.00 72.50 73.21 1bqh s THR 51 CO 0.42 0.16 1.15 0.12 -0.54 0.00 0.00 174.62 175.93 1bqh s PHE 52 N 0.93 3.49 0.04 3.99 5.36 -1.26 -1.75 117.98 128.77 1bqh s PHE 52 Ca -0.10 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1bqh s PHE 52 Cb -0.13 -3.36 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 1bqh s PHE 52 CO -0.01 -0.87 0.00 0.28 -1.46 0.00 0.00 175.22 173.16 1bqh n VAL 53 N 1.68 0.36 -4.08 3.12 0.31 -0.24 -4.55 118.33 114.93 1bqh n VAL 53 Ca 0.01 0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.32 1bqh n VAL 53 Cb 0.45 -1.11 -0.12 0.00 -0.91 0.00 0.00 33.84 32.15 1bqh n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bqh s VAL 54 N -1.31 0.58 -0.08 2.52 1.01 -0.75 -1.85 120.40 120.52 1bqh s VAL 54 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1bqh s VAL 54 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1bqh s VAL 54 CO 0.00 -0.32 -0.02 -0.47 0.00 0.00 0.00 175.10 174.30 1bqh s TYR 55 N -1.24 0.86 -0.22 5.22 5.04 -0.52 0.19 117.35 126.68 1bqh s TYR 55 Ca -0.08 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.27 1bqh s TYR 55 Cb -0.09 -0.89 0.04 0.00 0.35 0.00 0.00 41.96 41.36 1bqh s TYR 55 CO 0.00 -0.36 -0.15 -1.64 -1.34 0.00 0.00 175.55 172.06 1bqh s MET 56 N 1.86 2.68 0.33 4.97 -1.94 0.65 -1.01 119.30 126.84 1bqh s MET 56 Ca 0.04 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 1bqh s MET 56 Cb -0.12 -2.74 -0.11 0.00 2.01 0.00 0.00 34.83 33.87 1bqh s MET 56 CO -0.06 -0.37 1.46 0.00 -0.01 0.00 0.00 175.02 176.04 1bqh s ALA 57 N 1.22 3.60 -0.13 3.03 0.00 -0.28 -1.40 121.76 127.79 1bqh s ALA 57 Ca -0.01 1.46 0.15 0.00 0.00 0.00 0.00 51.96 53.56 1bqh s ALA 57 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1bqh s ALA 57 CO -0.09 -0.89 1.34 0.66 0.00 0.00 0.00 175.76 176.78 1bqh h SER 58 N 3.77 0.00 0.00 0.00 4.64 -1.84 -3.41 113.55 116.71 1bqh h SER 58 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1bqh h SER 58 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1bqh h SER 58 CO 0.69 0.55 0.00 -1.54 -0.87 0.00 0.00 176.83 175.66 1bqh n SER 59 N -3.18 0.00 0.00 4.97 3.41 -1.26 -4.99 113.62 112.57 1bqh n SER 59 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1bqh n SER 59 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1bqh n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bqh n HIS 60 N -0.25 0.00 -3.59 7.33 -0.00 -1.26 -5.10 115.22 112.36 1bqh n HIS 60 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1bqh n HIS 60 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1bqh n HIS 60 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1bqh s ASN 61 N 0.83 5.67 -0.21 4.39 0.01 -1.26 -4.61 114.94 119.76 1bqh s ASN 61 Ca 0.00 -1.55 -0.07 0.00 -0.71 0.00 0.00 52.86 50.53 1bqh s ASN 61 Cb 0.00 -2.00 0.10 0.00 0.41 0.00 0.00 41.25 39.76 1bqh s ASN 61 CO 0.00 -0.56 0.44 -0.75 -1.51 0.00 0.00 177.10 174.72 1bqh s LYS 62 N 1.43 0.35 -0.26 -0.60 2.20 -1.26 -5.02 119.74 116.57 1bqh s LYS 62 Ca 0.03 1.06 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 1bqh s LYS 62 Cb -0.23 0.36 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1bqh s LYS 62 CO 0.02 -0.26 -0.10 0.96 -0.36 0.00 0.00 175.35 175.61 1bqh s ILE 63 N 2.64 2.34 -0.26 5.43 -4.36 -1.25 -1.12 121.20 124.62 1bqh s ILE 63 Ca -0.01 -1.49 -0.07 0.00 -0.26 0.00 0.00 60.65 58.81 1bqh s ILE 63 Cb -0.12 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1bqh s ILE 63 CO -0.13 0.02 0.08 -0.89 0.24 0.00 0.00 174.94 174.26 1bqh s THR 64 N 1.16 4.28 0.11 8.37 2.01 -0.18 -4.93 115.64 126.45 1bqh s THR 64 Ca -0.07 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 1bqh s THR 64 Cb -0.19 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1bqh s THR 64 CO -0.05 0.29 0.28 0.26 -0.69 0.00 0.00 174.62 174.70 1bqh s TRP 65 N 1.60 3.50 0.63 4.92 0.52 -1.26 -1.44 118.94 127.41 1bqh s TRP 65 Ca 0.06 0.31 -0.18 0.00 0.02 0.00 0.00 56.10 56.31 1bqh s TRP 65 Cb -0.15 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1bqh s TRP 65 CO 0.04 0.52 0.87 -3.47 0.02 0.00 0.00 176.95 174.93 1bqh n ASP 66 N 0.02 0.32 -0.21 2.95 -0.08 -0.77 -4.91 116.55 113.88 1bqh n ASP 66 Ca -0.05 0.75 0.01 0.00 -1.51 0.00 0.00 54.79 54.00 1bqh n ASP 66 Cb 0.52 -1.35 0.11 0.00 2.34 0.00 0.00 41.12 42.73 1bqh n ASP 66 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1bqh h GLU 67 N 0.23 0.14 -1.69 -0.67 4.57 -1.94 -2.54 114.58 112.68 1bqh h GLU 67 Ca -0.48 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.08 1bqh h GLU 67 Cb 1.36 -0.03 -0.23 0.00 -0.16 0.00 0.00 28.75 29.69 1bqh h GLU 67 CO 0.49 0.09 0.76 1.63 -1.18 0.00 0.00 179.01 180.80 1bqh n LYS 68 N -5.25 2.51 -0.14 1.92 4.01 -1.26 -3.88 118.16 116.06 1bqh n LYS 68 Ca 0.09 -2.88 0.00 0.00 -0.51 0.00 0.00 58.31 55.01 1bqh n LYS 68 Cb 0.36 -2.15 0.00 0.00 -0.51 0.00 0.00 35.03 32.73 1bqh n LYS 68 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1bqh n LEU 69 N -0.14 0.00 0.04 -0.35 7.99 -0.96 -4.84 117.00 118.74 1bqh n LEU 69 Ca 0.51 -0.29 -0.09 0.00 -0.01 0.00 0.00 56.01 56.14 1bqh n LEU 69 Cb 0.47 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.84 1bqh n LEU 69 CO 0.52 0.07 0.44 -0.55 -1.51 0.00 0.00 177.39 176.36 1bqh h ASN 70 N 0.00 0.50 -1.76 -1.43 7.08 -1.71 -3.46 115.58 114.80 1bqh h ASN 70 Ca 0.00 -0.29 -0.45 0.00 -3.08 0.00 0.00 56.30 52.48 1bqh h ASN 70 Cb 1.12 -0.15 -0.01 0.00 -2.08 0.00 0.00 38.32 37.20 1bqh h ASN 70 CO 0.00 1.00 -0.36 -0.94 -2.08 0.00 0.00 177.43 175.04 1bqh s SER 71 N -6.93 5.71 -0.50 6.14 1.04 -1.26 -4.78 113.70 113.13 1bqh s SER 71 Ca -0.06 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 1bqh s SER 71 Cb 0.11 -1.07 0.04 0.00 0.10 0.00 0.00 66.02 65.20 1bqh s SER 71 CO 0.83 -0.45 0.65 -0.24 0.98 0.00 0.00 173.24 175.01 1bqh n SER 72 N -1.59 -5.92 -4.58 7.02 2.88 -1.26 -4.80 113.62 105.37 1bqh n SER 72 Ca 0.00 -0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.01 1bqh n SER 72 Cb 0.59 -2.41 -0.03 0.00 -0.75 0.00 0.00 64.21 61.61 1bqh n SER 72 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1bqh s LYS 73 N -2.77 3.11 0.00 -1.46 0.00 -1.26 -4.78 119.74 112.57 1bqh s LYS 73 Ca 0.31 1.05 0.05 0.00 0.00 0.00 0.00 55.97 57.39 1bqh s LYS 73 Cb -0.04 -4.24 0.12 0.00 0.00 0.00 0.00 37.83 33.67 1bqh s LYS 73 CO 0.86 -2.14 1.00 1.47 0.00 0.00 0.00 175.35 176.53 1bqh n LEU 74 N 11.00 2.17 -4.22 2.77 -0.00 -1.26 -4.85 117.00 122.61 1bqh n LEU 74 Ca 0.21 -1.72 -0.16 0.00 -0.00 0.00 0.00 56.01 54.35 1bqh n LEU 74 Cb 0.49 -0.08 -0.11 0.00 -0.00 0.00 0.00 43.42 43.72 1bqh n LEU 74 CO 0.70 0.53 -0.43 -0.36 -0.00 0.00 0.00 177.39 177.83 1bqh s PHE 75 N -0.85 1.24 -0.17 1.47 0.40 -1.26 -2.03 117.98 116.78 1bqh s PHE 75 Ca 0.10 -0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 55.71 1bqh s PHE 75 Cb 0.06 -0.65 0.07 0.00 0.51 0.00 0.00 43.02 43.00 1bqh s PHE 75 CO 0.08 0.08 0.39 -1.12 0.70 0.00 0.00 175.22 175.34 1bqh s SER 76 N -2.65 -0.32 0.03 1.36 0.01 -0.35 -4.86 113.70 106.92 1bqh s SER 76 Ca 0.10 0.87 0.09 0.00 1.31 0.00 0.00 55.95 58.31 1bqh s SER 76 Cb -0.02 0.93 -0.03 0.00 0.21 0.00 0.00 66.02 67.11 1bqh s SER 76 CO 0.01 -0.21 -0.26 0.00 0.41 0.00 0.00 173.24 173.19 1bqh s ALA 77 N 1.91 2.20 -0.17 1.44 0.00 -1.26 0.11 121.76 125.99 1bqh s ALA 77 Ca -0.06 -1.22 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 1bqh s ALA 77 Cb -0.10 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.59 1bqh s ALA 77 CO -0.12 0.52 0.55 0.00 0.00 0.00 0.00 175.76 176.71 1bqh s MET 78 N -1.07 0.70 -0.46 0.00 0.23 -0.61 -5.03 119.30 113.07 1bqh s MET 78 Ca 0.11 0.62 -0.19 0.00 -1.03 0.00 0.00 55.69 55.20 1bqh s MET 78 Cb -0.10 0.34 0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1bqh s MET 78 CO 0.01 -0.12 0.55 0.50 -2.03 0.00 0.00 175.02 173.94 1bqh s ARG 79 N -0.05 3.14 1.13 3.16 3.52 -1.26 -1.11 118.95 127.49 1bqh s ARG 79 Ca -0.03 -0.75 -0.19 0.00 -0.13 0.00 0.00 55.73 54.64 1bqh s ARG 79 Cb -0.04 -4.02 0.27 0.00 -1.56 0.00 0.00 34.95 29.60 1bqh s ARG 79 CO 0.02 -1.04 1.20 0.34 -0.81 0.00 0.00 175.30 175.02 1bqh s ASP 80 N 2.22 1.59 0.32 -2.12 2.15 0.34 -4.97 116.67 116.21 1bqh s ASP 80 Ca 0.15 0.41 -0.29 0.00 0.43 0.00 0.00 52.55 53.25 1bqh s ASP 80 Cb -0.17 -0.51 -0.10 0.00 -0.30 0.00 0.00 42.92 41.83 1bqh s ASP 80 CO 0.14 -3.69 1.38 0.42 -0.17 0.00 0.00 175.17 173.25 1bqh s THR 81 N -3.38 2.55 0.01 1.71 -4.23 -1.26 -4.34 115.64 106.69 1bqh s THR 81 Ca 0.73 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1bqh s THR 81 Cb -0.06 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1bqh s THR 81 CO 0.55 0.12 0.00 0.59 -0.54 0.00 0.00 174.62 175.34 1bqh n ASN 82 N 1.13 -4.71 -3.69 3.99 4.13 -1.26 -4.30 115.26 110.55 1bqh n ASN 82 Ca 0.02 1.43 -0.07 0.00 1.68 0.00 0.00 54.58 57.64 1bqh n ASN 82 Cb 0.41 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.31 1bqh n ASN 82 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1bqh n ASN 83 N 1.94 -0.65 -3.60 6.41 6.94 -1.26 -4.91 115.26 120.13 1bqh n ASN 83 Ca -0.01 -0.20 -0.11 0.00 -0.02 0.00 0.00 54.58 54.24 1bqh n ASN 83 Cb 0.01 -0.25 -0.11 0.00 -2.36 0.00 0.00 39.78 37.07 1bqh n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1bqh s LYS 84 N -5.12 0.25 -0.18 -3.83 1.02 -1.26 -2.10 119.74 108.52 1bqh s LYS 84 Ca 0.07 0.79 -0.00 0.00 0.02 0.00 0.00 55.97 56.85 1bqh s LYS 84 Cb -0.04 -0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1bqh s LYS 84 CO 0.15 -0.35 -0.15 0.71 -0.92 0.00 0.00 175.35 174.79 1bqh s TYR 85 N 2.51 2.82 -0.07 3.18 1.51 -0.09 -0.50 117.35 126.70 1bqh s TYR 85 Ca 0.02 -1.28 0.00 0.00 -1.01 0.00 0.00 57.07 54.80 1bqh s TYR 85 Cb -0.13 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1bqh s TYR 85 CO -0.12 -0.64 -0.05 0.54 -1.11 0.00 0.00 175.55 174.17 1bqh s VAL 86 N 1.18 3.84 -0.26 0.71 0.11 -0.26 -0.61 120.40 125.11 1bqh s VAL 86 Ca 0.02 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1bqh s VAL 86 Cb -0.14 -2.58 0.05 0.00 -1.53 0.00 0.00 36.38 32.18 1bqh s VAL 86 CO -0.06 0.60 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.98 1bqh s LEU 87 N -0.79 3.39 -0.20 2.54 2.96 0.12 -1.57 118.68 125.14 1bqh s LEU 87 Ca 0.12 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 52.63 1bqh s LEU 87 Cb -0.11 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1bqh s LEU 87 CO 0.02 -0.18 0.12 0.42 -1.32 0.00 0.00 176.35 175.41 1bqh s THR 88 N 1.14 5.26 -0.51 3.68 -4.23 0.12 -1.00 115.64 120.10 1bqh s THR 88 Ca -0.07 0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 1bqh s THR 88 Cb -0.19 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.29 1bqh s THR 88 CO -0.05 0.43 0.76 -0.76 -0.54 0.00 0.00 174.62 174.45 1bqh s LEU 89 N 0.50 4.54 0.00 4.79 1.02 0.16 -1.21 118.68 128.48 1bqh s LEU 89 Ca 0.07 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.63 1bqh s LEU 89 Cb -0.12 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1bqh s LEU 89 CO -0.00 -1.01 0.73 0.59 0.02 0.00 0.00 176.35 176.68 1bqh n ASN 90 N 6.71 0.00 -4.41 2.29 3.02 -0.86 -1.67 115.26 120.33 1bqh n ASN 90 Ca -0.02 0.73 -0.36 0.00 -0.03 0.00 0.00 54.58 54.90 1bqh n ASN 90 Cb 0.47 -0.23 -0.13 0.00 -0.61 0.00 0.00 39.78 39.28 1bqh n ASN 90 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1bqh s LYS 91 N -1.92 3.58 -1.20 3.52 1.02 -1.26 -3.15 119.74 120.33 1bqh s LYS 91 Ca 0.00 -0.53 -0.21 0.00 0.02 0.00 0.00 55.97 55.25 1bqh s LYS 91 Cb 0.00 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1bqh s LYS 91 CO 0.00 -0.13 1.82 0.12 -0.92 0.00 0.00 175.35 176.23 1bqh s PHE 92 N 1.41 2.32 0.00 3.18 5.36 -0.41 -4.73 117.98 125.11 1bqh s PHE 92 Ca 0.05 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 1bqh s PHE 92 Cb -0.15 -4.36 0.00 0.00 -0.34 0.00 0.00 43.02 38.17 1bqh s PHE 92 CO 0.01 -1.54 0.00 0.45 -1.46 0.00 0.00 175.22 172.68 1bqh n SER 93 N 11.51 0.00 -0.09 6.13 2.88 -1.26 -3.04 113.62 129.76 1bqh n SER 93 Ca 0.45 -0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 57.24 1bqh n SER 93 Cb 0.47 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.78 1bqh n SER 93 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bqh n LYS 94 N -0.64 0.68 0.00 -1.46 2.85 -1.26 -4.18 118.16 114.15 1bqh n LYS 94 Ca 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1bqh n LYS 94 Cb 0.00 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 1bqh n LYS 94 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1bqh n GLU 95 N -2.90 0.08 -0.49 -1.58 0.28 -1.26 -0.32 120.64 114.45 1bqh n GLU 95 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.68 1bqh n GLU 95 Cb 1.11 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1bqh n GLU 95 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1bqh n ASN 96 N -0.00 0.00 -4.52 -1.84 6.94 -1.26 -5.06 115.26 109.52 1bqh n ASN 96 Ca 0.00 -1.39 -0.42 0.00 -0.02 0.00 0.00 54.58 52.76 1bqh n ASN 96 Cb 0.01 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1bqh n ASN 96 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1bqh s GLU 97 N 0.00 3.23 0.00 -3.83 2.12 0.56 -4.92 118.70 115.85 1bqh s GLU 97 Ca 0.00 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1bqh s GLU 97 Cb 0.00 -4.34 0.00 0.00 0.26 0.00 0.00 34.13 30.05 1bqh s GLU 97 CO 0.00 -2.06 0.00 0.41 -0.54 0.00 0.00 175.26 173.07 1bqh n GLY 98 N 5.53 2.10 3.49 -1.50 0.00 -1.16 -2.57 105.19 111.08 1bqh n GLY 98 Ca 0.05 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1bqh n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bqh s TYR 99 N -7.76 3.19 0.37 1.61 2.02 0.48 -1.58 117.35 115.69 1bqh s TYR 99 Ca 0.00 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.34 1bqh s TYR 99 Cb 0.00 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 1bqh s TYR 99 CO 0.00 -0.61 0.64 0.71 -1.57 0.00 0.00 175.55 174.72 1bqh s TYR 100 N 2.02 3.51 -0.28 2.71 1.51 -1.00 -1.71 117.35 124.10 1bqh s TYR 100 Ca 0.11 0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 56.52 1bqh s TYR 100 Cb -0.17 -2.13 0.19 0.00 -0.11 0.00 0.00 41.96 39.74 1bqh s TYR 100 CO 0.12 0.00 1.36 -0.59 -1.11 0.00 0.00 175.55 175.34 1bqh s PHE 101 N -2.37 -0.07 0.26 2.71 -0.71 -0.46 -1.38 117.98 115.96 1bqh s PHE 101 Ca 0.44 0.13 0.07 0.00 -1.04 0.00 0.00 56.93 56.53 1bqh s PHE 101 Cb -0.10 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1bqh s PHE 101 CO 0.36 -0.05 0.24 0.00 -1.34 0.00 0.00 175.22 174.43 1bqh s SER 103 N -3.89 0.10 -0.04 0.00 0.15 0.68 -2.54 113.70 108.15 1bqh s SER 103 Ca 0.34 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.56 1bqh s SER 103 Cb -0.08 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1bqh s SER 103 CO 0.26 -0.41 0.21 0.68 1.20 0.00 0.00 173.24 175.18 1bqh s VAL 104 N -1.81 0.04 -0.24 4.45 -7.23 -0.51 -0.90 120.40 114.19 1bqh s VAL 104 Ca -0.12 -0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.66 1bqh s VAL 104 Cb -0.06 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1bqh s VAL 104 CO -0.01 -0.17 0.13 -0.63 -0.31 0.00 0.00 175.10 174.12 1bqh s ILE 105 N -0.61 5.04 -0.20 -0.62 1.01 -1.26 -0.92 121.20 123.64 1bqh s ILE 105 Ca -0.07 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1bqh s ILE 105 Cb -0.04 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.12 1bqh s ILE 105 CO 0.01 0.34 -0.11 -0.55 0.00 0.00 0.00 174.94 174.64 1bqh s SER 106 N 1.24 3.35 -0.77 3.58 0.15 0.44 -4.24 113.70 117.44 1bqh s SER 106 Ca 0.06 -0.86 -0.04 0.00 0.70 0.00 0.00 55.95 55.81 1bqh s SER 106 Cb -0.14 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 1bqh s SER 106 CO 0.05 -0.14 0.63 0.59 1.20 0.00 0.00 173.24 175.57 1bqh n ASN 107 N 4.69 -5.63 -1.01 5.45 4.13 -1.26 -0.87 115.26 120.77 1bqh n ASN 107 Ca -0.15 -0.67 -0.09 0.00 1.68 0.00 0.00 54.58 55.36 1bqh n ASN 107 Cb 0.47 -2.56 -0.04 0.00 -1.54 0.00 0.00 39.78 36.11 1bqh n ASN 107 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bqh n SER 108 N -2.17 -3.04 -4.19 6.41 7.64 -1.26 -4.91 113.62 112.10 1bqh n SER 108 Ca -0.22 0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1bqh n SER 108 Cb 0.65 -2.68 -0.16 0.00 -1.01 0.00 0.00 64.21 61.01 1bqh n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bqh s VAL 109 N -1.61 2.29 0.12 0.44 1.01 -0.05 -5.10 120.40 117.51 1bqh s VAL 109 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1bqh s VAL 109 Cb 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 1bqh s VAL 109 CO 0.00 0.53 0.81 -0.04 0.00 0.00 0.00 175.10 176.40 1bqh s MET 110 N 0.98 4.58 0.01 2.72 -1.94 -1.26 -0.42 119.30 123.97 1bqh s MET 110 Ca -0.03 1.19 0.06 0.00 -1.71 0.00 0.00 55.69 55.20 1bqh s MET 110 Cb -0.15 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 1bqh s MET 110 CO -0.04 0.42 -0.18 0.71 -0.01 0.00 0.00 175.02 175.92 1bqh s TYR 111 N -0.62 1.57 0.11 -0.03 2.02 -0.10 -4.97 117.35 115.32 1bqh s TYR 111 Ca 0.38 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1bqh s TYR 111 Cb -0.22 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1bqh s TYR 111 CO 0.26 0.01 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.09 1bqh s PHE 112 N -0.56 1.12 0.00 2.71 0.40 -1.26 -1.43 117.98 118.96 1bqh s PHE 112 Ca 0.06 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1bqh s PHE 112 Cb -0.07 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.86 1bqh s PHE 112 CO 0.00 0.02 0.00 -1.13 0.70 0.00 0.00 175.22 174.81 1bqh n SER 113 N 0.31 0.00 -4.62 1.36 3.41 -1.05 -4.60 113.62 108.43 1bqh n SER 113 Ca -0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 1bqh n SER 113 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1bqh n SER 113 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bqh s SER 114 N -1.00 5.15 -0.07 4.04 0.01 -1.26 -4.98 113.70 115.58 1bqh s SER 114 Ca 0.00 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 1bqh s SER 114 Cb 0.00 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.55 1bqh s SER 114 CO 0.00 0.29 1.80 0.68 0.41 0.00 0.00 173.24 176.42 1bqh s VAL 115 N -0.36 3.37 -0.34 3.43 -7.23 -1.26 -4.83 120.40 113.19 1bqh s VAL 115 Ca 0.07 0.44 -0.14 0.00 -1.81 0.00 0.00 61.98 60.54 1bqh s VAL 115 Cb -0.12 -3.32 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 1bqh s VAL 115 CO 0.02 -0.08 0.27 0.68 -0.31 0.00 0.00 175.10 175.68 1bqh s VAL 116 N 4.84 5.25 0.26 1.32 -7.23 -0.48 -4.91 120.40 119.45 1bqh s VAL 116 Ca 0.80 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.52 1bqh s VAL 116 Cb -0.35 -3.75 -0.11 0.00 0.56 0.00 0.00 36.38 32.74 1bqh s VAL 116 CO 0.34 -0.04 1.56 -2.84 -0.31 0.00 0.00 175.10 173.80 1bqh s PRO 117 N 1.80 4.18 -0.54 4.82 0.02 -1.26 -2.38 135.00 141.64 1bqh s PRO 117 Ca 0.08 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.61 1bqh s PRO 117 Cb -0.17 -3.07 0.15 0.00 0.02 0.00 0.00 34.50 31.43 1bqh s PRO 117 CO 0.11 -0.58 0.33 0.08 -0.33 0.00 0.00 177.00 176.61 1bqh s VAL 118 N 0.22 2.14 0.46 3.83 1.01 -0.61 -0.98 120.40 126.47 1bqh s VAL 118 Ca 0.64 -3.31 0.05 0.00 0.00 0.00 0.00 61.98 59.35 1bqh s VAL 118 Cb -0.46 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1bqh s VAL 118 CO 0.43 -0.92 0.09 -0.76 0.00 0.00 0.00 175.10 173.94 1bqh s LEU 119 N -0.40 2.69 0.27 3.92 1.43 -0.92 -2.99 118.68 122.67 1bqh s LEU 119 Ca 0.21 -1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 51.77 1bqh s LEU 119 Cb -0.17 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.98 1bqh s LEU 119 CO -0.06 -0.70 0.66 0.00 0.23 0.00 0.00 176.35 176.48 1bqh s GLN 120 N -3.88 3.96 -1.04 1.70 -2.07 -1.26 0.19 119.66 117.26 1bqh s GLN 120 Ca 0.25 0.55 -0.23 0.00 -1.82 0.00 0.00 55.36 54.11 1bqh s GLN 120 Cb 0.04 -2.58 0.03 0.00 -1.09 0.00 0.00 33.01 29.41 1bqh s GLN 120 CO 0.14 0.26 1.57 0.21 -1.32 0.00 0.00 175.29 176.15 1bqh s LYS 121 N -2.75 3.44 -0.37 9.60 2.47 0.33 -4.70 119.74 127.76 1bqh s LYS 121 Ca 0.50 -1.09 -0.33 0.00 -1.56 0.00 0.00 55.97 53.49 1bqh s LYS 121 Cb -0.12 -5.33 0.05 0.00 -1.46 0.00 0.00 37.83 30.97 1bqh s LYS 121 CO 0.19 -2.45 0.55 1.33 0.16 0.00 0.00 175.35 175.13 1bqh n VAL 122 N 7.02 -3.19 -1.69 4.02 0.24 -1.26 -4.76 118.33 118.70 1bqh n VAL 122 Ca 0.36 0.07 -0.53 0.00 -2.04 0.00 0.00 64.34 62.20 1bqh n VAL 122 Cb 0.50 -2.94 -0.06 0.00 -1.47 0.00 0.00 33.84 29.87 1bqh n VAL 122 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1bqh n SER 123 N 0.04 2.80 -2.68 -1.34 3.41 -1.26 -2.97 113.62 111.61 1bqh n SER 123 Ca -0.07 1.04 -0.04 0.00 -0.26 0.00 0.00 58.87 59.53 1bqh n SER 123 Cb 0.58 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 1bqh n SER 123 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bqh n SER 124 N 5.69 -1.17 0.00 4.04 3.41 -1.26 -5.27 113.62 119.05 1bqh n SER 124 Ca 0.24 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1bqh n SER 124 Cb 0.20 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1bqh n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88