#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqh n PRO 2 N 0.00 0.13 -0.86 1.97 -0.04 -1.26 -5.05 135.00 129.90 1bqh n PRO 2 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1bqh n PRO 2 Cb 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.59 1bqh n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1bqh n GLN 3 N -0.67 -0.20 -3.33 0.54 1.13 -1.26 -5.06 117.38 108.53 1bqh n GLN 3 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.00 1bqh n GLN 3 Cb 0.00 -2.15 -0.07 0.00 0.11 0.00 0.00 30.24 28.13 1bqh n GLN 3 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bqh s ALA 4 N -2.38 -1.31 1.13 -1.58 0.00 -1.26 -5.07 121.76 111.30 1bqh s ALA 4 Ca 0.64 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 1bqh s ALA 4 Cb -0.25 -1.74 0.16 0.00 0.00 0.00 0.00 23.12 21.30 1bqh s ALA 4 CO 0.60 -1.24 0.38 -2.30 0.00 0.00 0.00 175.76 173.20 1bqh n PRO 5 N 5.38 -1.81 -3.73 0.00 -0.02 -1.26 -5.02 135.00 128.53 1bqh n PRO 5 Ca -0.03 -0.50 -0.26 0.00 -2.02 0.00 0.00 63.50 60.68 1bqh n PRO 5 Cb 0.50 -1.88 -0.17 0.00 -0.02 0.00 0.00 33.50 31.94 1bqh n PRO 5 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1bqh s GLU 6 N -3.79 0.59 -0.11 -0.52 2.12 -1.01 -4.96 118.70 111.02 1bqh s GLU 6 Ca 0.60 -0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.51 1bqh s GLU 6 Cb -0.17 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.34 1bqh s GLU 6 CO 0.66 -0.57 0.38 -0.51 -0.54 0.00 0.00 175.26 174.68 1bqh s LEU 7 N 1.91 4.30 -0.08 2.70 1.02 -1.26 -1.06 118.68 126.22 1bqh s LEU 7 Ca 0.01 0.70 0.01 0.00 0.02 0.00 0.00 54.13 54.87 1bqh s LEU 7 Cb -0.16 -2.52 0.02 0.00 0.02 0.00 0.00 46.19 43.55 1bqh s LEU 7 CO -0.07 0.11 -0.10 -0.13 0.02 0.00 0.00 176.35 176.18 1bqh s ARG 8 N 0.19 1.59 0.29 1.70 0.52 0.04 -4.79 118.95 118.48 1bqh s ARG 8 Ca 0.21 -0.34 0.09 0.00 -0.52 0.00 0.00 55.73 55.17 1bqh s ARG 8 Cb -0.14 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.85 1bqh s ARG 8 CO 0.08 -0.08 0.09 0.96 0.02 0.00 0.00 175.30 176.37 1bqh s ILE 9 N 1.03 3.49 -0.28 1.52 -5.25 -1.26 0.76 121.20 121.20 1bqh s ILE 9 Ca -0.08 -1.73 -0.16 0.00 -0.99 0.00 0.00 60.65 57.70 1bqh s ILE 9 Cb -0.15 -3.00 0.09 0.00 2.95 0.00 0.00 42.46 42.35 1bqh s ILE 9 CO -0.01 -0.30 0.70 0.12 -1.79 0.00 0.00 174.94 173.66 1bqh s PHE 10 N -2.32 -1.07 0.81 1.37 5.36 -0.88 -4.44 117.98 116.81 1bqh s PHE 10 Ca 0.34 2.12 -0.12 0.00 -0.96 0.00 0.00 56.93 58.31 1bqh s PHE 10 Cb -0.05 0.64 0.09 0.00 -0.34 0.00 0.00 43.02 43.35 1bqh s PHE 10 CO 0.22 -0.53 1.18 -1.25 -1.46 0.00 0.00 175.22 173.38 1bqh s PRO 11 N 1.71 1.89 0.36 10.12 0.05 -1.26 -2.30 135.00 145.57 1bqh s PRO 11 Ca -0.10 0.04 0.20 0.00 0.05 0.00 0.00 61.00 61.19 1bqh s PRO 11 Cb -0.05 -1.96 0.43 0.00 0.05 0.00 0.00 34.50 32.97 1bqh s PRO 11 CO -0.20 -1.63 1.61 0.87 0.05 0.00 0.00 177.00 177.71 1bqh h LYS 12 N -1.06 0.00 -3.78 4.56 6.56 -1.95 -3.46 116.57 117.44 1bqh h LYS 12 Ca -0.46 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.03 1bqh h LYS 12 Cb 1.32 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.83 1bqh h LYS 12 CO 0.64 0.33 -0.43 0.15 -2.06 0.00 0.00 179.45 178.07 1bqh s LYS 13 N -3.26 0.74 -0.18 3.15 1.02 -1.26 -3.79 119.74 116.15 1bqh s LYS 13 Ca 0.03 -0.86 -0.35 0.00 0.02 0.00 0.00 55.97 54.81 1bqh s LYS 13 Cb 0.08 0.30 0.14 0.00 -0.52 0.00 0.00 37.83 37.83 1bqh s LYS 13 CO 0.69 -0.21 1.25 1.41 -0.92 0.00 0.00 175.35 177.57 1bqh s MET 14 N -3.30 0.27 -0.20 1.68 1.75 -0.29 -4.95 119.30 114.26 1bqh s MET 14 Ca 0.01 -0.11 -0.29 0.00 -1.25 0.00 0.00 55.69 54.05 1bqh s MET 14 Cb 0.03 0.12 0.14 0.00 2.84 0.00 0.00 34.83 37.95 1bqh s MET 14 CO -0.08 -0.12 1.07 0.16 -0.65 0.00 0.00 175.02 175.40 1bqh s ASP 15 N -2.27 -0.33 0.38 1.11 1.47 -1.26 -3.36 116.67 112.41 1bqh s ASP 15 Ca 0.10 0.42 -0.12 0.00 1.18 0.00 0.00 52.55 54.13 1bqh s ASP 15 Cb -0.00 0.35 0.04 0.00 -0.34 0.00 0.00 42.92 42.98 1bqh s ASP 15 CO -0.04 -0.26 0.72 0.00 0.68 0.00 0.00 175.17 176.27 1bqh s ALA 16 N -0.82 -0.34 0.29 2.11 0.00 -1.16 -4.59 121.76 117.24 1bqh s ALA 16 Ca 0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1bqh s ALA 16 Cb -0.01 0.79 -0.11 0.00 0.00 0.00 0.00 23.12 23.79 1bqh s ALA 16 CO -0.02 -0.94 1.52 -1.21 0.00 0.00 0.00 175.76 175.12 1bqh s GLU 17 N -2.43 4.18 -0.44 0.00 8.01 -1.26 -2.92 118.70 123.84 1bqh s GLU 17 Ca 0.19 2.47 -0.30 0.00 0.01 0.00 0.00 54.97 57.34 1bqh s GLU 17 Cb -0.04 -3.05 -0.10 0.00 -4.31 0.00 0.00 34.13 26.63 1bqh s GLU 17 CO 0.14 -0.54 2.33 1.28 0.01 0.00 0.00 175.26 178.49 1bqh n LEU 18 N 2.04 2.20 0.00 1.80 4.77 -1.26 -2.71 117.00 123.84 1bqh n LEU 18 Ca 0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1bqh n LEU 18 Cb 0.39 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1bqh n LEU 18 CO 0.62 -0.99 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1bqh n GLY 19 N 6.22 1.77 3.70 -0.72 0.00 -0.10 -4.92 105.19 111.15 1bqh n GLY 19 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 1bqh n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bqh s GLN 20 N 0.00 2.54 -0.63 1.61 0.74 -1.10 -4.32 119.66 118.50 1bqh s GLN 20 Ca 0.00 -1.09 -0.28 0.00 0.05 0.00 0.00 55.36 54.04 1bqh s GLN 20 Cb 0.00 -2.41 0.03 0.00 1.10 0.00 0.00 33.01 31.73 1bqh s GLN 20 CO 0.00 0.45 1.22 0.21 -0.55 0.00 0.00 175.29 176.62 1bqh s LYS 21 N -3.13 3.41 -0.30 1.67 2.20 -1.26 -0.20 119.74 122.13 1bqh s LYS 21 Ca 0.29 0.11 -0.16 0.00 -0.36 0.00 0.00 55.97 55.85 1bqh s LYS 21 Cb -0.09 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1bqh s LYS 21 CO 0.20 -1.83 0.41 0.08 -0.36 0.00 0.00 175.35 173.85 1bqh s VAL 22 N 5.22 5.13 -0.15 4.02 1.01 -1.05 -4.87 120.40 129.71 1bqh s VAL 22 Ca 0.41 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1bqh s VAL 22 Cb -0.08 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1bqh s VAL 22 CO 0.22 0.03 -0.11 1.51 0.00 0.00 0.00 175.10 176.74 1bqh s ASP 23 N 1.67 4.03 -0.14 3.32 -4.77 -1.26 0.16 116.67 119.69 1bqh s ASP 23 Ca 0.16 -0.36 0.02 0.00 -3.30 0.00 0.00 52.55 49.07 1bqh s ASP 23 Cb -0.16 -1.63 0.01 0.00 -1.09 0.00 0.00 42.92 40.05 1bqh s ASP 23 CO 0.11 0.11 -0.22 -0.76 0.70 0.00 0.00 175.17 175.11 1bqh s LEU 24 N 0.66 2.12 -0.01 2.11 1.43 0.11 -4.71 118.68 120.38 1bqh s LEU 24 Ca -0.06 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1bqh s LEU 24 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1bqh s LEU 24 CO 0.02 0.08 0.04 0.68 0.23 0.00 0.00 176.35 177.40 1bqh s VAL 25 N 0.82 4.44 -0.15 -1.59 -7.23 -0.97 0.99 120.40 116.70 1bqh s VAL 25 Ca -0.07 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1bqh s VAL 25 Cb -0.15 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.81 1bqh s VAL 25 CO -0.02 0.38 -0.16 0.00 -0.31 0.00 0.00 175.10 174.99 1bqh s GLU 27 N 1.33 3.56 -0.23 0.00 2.12 0.23 -0.46 118.70 125.25 1bqh s GLU 27 Ca 0.03 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1bqh s GLU 27 Cb -0.13 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 1bqh s GLU 27 CO -0.09 -0.33 0.20 0.08 -0.54 0.00 0.00 175.26 174.57 1bqh s VAL 28 N 1.67 5.34 -0.18 3.70 1.01 -0.13 -0.78 120.40 131.02 1bqh s VAL 28 Ca 0.06 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1bqh s VAL 28 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1bqh s VAL 28 CO 0.08 0.34 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1bqh s LEU 29 N 1.05 3.61 0.00 3.92 1.43 -0.22 -4.61 118.68 123.86 1bqh s LEU 29 Ca 0.10 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1bqh s LEU 29 Cb -0.14 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1bqh s LEU 29 CO 0.05 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1bqh n GLY 30 N 3.61 3.31 1.34 -3.19 0.00 -1.26 -2.39 105.19 106.61 1bqh n GLY 30 Ca -0.17 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.23 1bqh n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bqh n SER 31 N 0.00 4.05 -1.58 1.61 3.41 -1.26 -4.47 113.62 115.38 1bqh n SER 31 Ca 0.00 -2.10 -0.08 0.00 -0.26 0.00 0.00 58.87 56.44 1bqh n SER 31 Cb 0.00 -0.49 0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1bqh n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1bqh n VAL 32 N 1.45 2.06 0.00 -3.33 0.24 -1.26 -4.82 118.33 112.67 1bqh n VAL 32 Ca 0.24 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1bqh n VAL 32 Cb 0.66 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1bqh n VAL 32 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1bqh n SER 33 N -0.17 0.00 -4.99 -1.34 3.41 -1.26 -4.26 113.62 105.00 1bqh n SER 33 Ca 0.28 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.71 1bqh n SER 33 Cb 1.06 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1bqh n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bqh s GLN 34 N 0.00 3.12 0.20 4.33 0.00 -1.26 -4.99 119.66 121.06 1bqh s GLN 34 Ca 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 55.36 54.35 1bqh s GLN 34 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 33.01 30.19 1bqh s GLN 34 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 175.29 175.76 1bqh n GLY 35 N -1.64 -1.70 3.59 2.60 0.00 -1.26 -4.75 105.19 102.03 1bqh n GLY 35 Ca -0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.62 2.77 -0.24 0.00 0.01 -0.18 -0.47 113.70 114.96 1bqh s SER 37 Ca -0.02 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 1bqh s SER 37 Cb -0.02 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 1bqh s SER 37 CO 0.01 0.25 0.08 0.26 0.41 0.00 0.00 173.24 174.25 1bqh s TRP 38 N -0.32 3.12 0.42 2.43 0.52 0.19 -0.23 118.94 125.07 1bqh s TRP 38 Ca 0.03 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 55.93 1bqh s TRP 38 Cb -0.11 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 1bqh s TRP 38 CO 0.01 -0.26 0.38 -0.51 0.02 0.00 0.00 176.95 176.59 1bqh s LEU 39 N 1.43 3.37 -0.16 2.99 1.43 0.61 -1.90 118.68 126.46 1bqh s LEU 39 Ca 0.06 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 1bqh s LEU 39 Cb -0.15 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.09 1bqh s LEU 39 CO 0.04 -0.68 0.41 0.12 0.23 0.00 0.00 176.35 176.47 1bqh s PHE 40 N -2.48 -0.50 -0.40 0.29 5.36 -0.35 -1.96 117.98 117.94 1bqh s PHE 40 Ca 0.48 1.16 0.01 0.00 -0.96 0.00 0.00 56.93 57.61 1bqh s PHE 40 Cb -0.03 0.19 0.11 0.00 -0.34 0.00 0.00 43.02 42.95 1bqh s PHE 40 CO 0.28 -0.26 0.15 -0.65 -1.46 0.00 0.00 175.22 173.28 1bqh s GLN 41 N 0.58 1.78 0.15 10.12 -1.52 0.19 0.15 119.66 131.12 1bqh s GLN 41 Ca -0.03 -1.95 -0.33 0.00 -1.95 0.00 0.00 55.36 51.11 1bqh s GLN 41 Cb -0.05 -3.40 -0.17 0.00 -0.22 0.00 0.00 33.01 29.18 1bqh s GLN 41 CO -0.04 -1.02 0.93 -1.71 -0.25 0.00 0.00 175.29 173.21 1bqh n ASN 42 N 4.26 0.21 -0.31 5.90 2.85 -1.26 -1.91 115.26 125.00 1bqh n ASN 42 Ca 0.02 1.15 -0.05 0.00 -0.11 0.00 0.00 54.58 55.59 1bqh n ASN 42 Cb 0.41 -1.07 0.09 0.00 1.24 0.00 0.00 39.78 40.45 1bqh n ASN 42 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1bqh h SER 43 N 2.44 1.10 -1.97 1.20 0.87 -1.81 -3.37 113.55 112.02 1bqh h SER 43 Ca -0.40 -0.13 -0.58 0.00 -1.23 0.00 0.00 61.79 59.44 1bqh h SER 43 Cb 1.39 -0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 62.97 1bqh h SER 43 CO 0.64 0.93 1.13 -0.94 -0.53 0.00 0.00 176.83 178.06 1bqh s SER 44 N -6.31 6.32 0.00 6.23 1.04 -1.26 -4.89 113.70 114.82 1bqh s SER 44 Ca -0.12 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1bqh s SER 44 Cb 0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1bqh s SER 44 CO 0.83 -1.62 0.00 -0.24 0.98 0.00 0.00 173.24 173.20 1bqh n SER 45 N 8.79 0.00 -0.08 7.02 2.88 -1.26 -5.05 113.62 125.91 1bqh n SER 45 Ca 0.14 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.48 1bqh n SER 45 Cb 0.49 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.83 1bqh n SER 45 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bqh n LYS 46 N -0.25 0.68 -3.37 -1.46 0.00 -1.26 -4.88 118.16 107.62 1bqh n LYS 46 Ca 0.00 0.22 -0.38 0.00 -0.00 0.00 0.00 58.31 58.15 1bqh n LYS 46 Cb 0.00 -1.59 -0.07 0.00 -0.00 0.00 0.00 35.03 33.37 1bqh n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bqh s LEU 47 N -6.85 4.23 -0.90 -5.58 1.43 -1.26 -4.98 118.68 104.76 1bqh s LEU 47 Ca -0.31 0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 1bqh s LEU 47 Cb 0.09 -2.59 -0.15 0.00 0.03 0.00 0.00 46.19 43.57 1bqh s LEU 47 CO 0.65 -0.02 2.26 -2.16 0.23 0.00 0.00 176.35 177.31 1bqh s PRO 48 N 0.85 1.60 -0.44 1.29 0.04 -1.26 -4.88 135.00 132.20 1bqh s PRO 48 Ca 0.22 0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.24 1bqh s PRO 48 Cb -0.15 -4.89 0.10 0.00 0.04 0.00 0.00 34.50 29.60 1bqh s PRO 48 CO 0.08 -4.65 0.29 -1.14 0.04 0.00 0.00 177.00 171.62 1bqh s GLN 49 N 8.49 2.54 0.59 4.56 2.00 -1.26 -5.07 119.66 131.51 1bqh s GLN 49 Ca 0.86 -1.59 -0.19 0.00 -2.00 0.00 0.00 55.36 52.44 1bqh s GLN 49 Cb -0.09 -3.84 -0.04 0.00 0.80 0.00 0.00 33.01 29.84 1bqh s GLN 49 CO 0.10 -1.05 1.21 -1.25 -0.50 0.00 0.00 175.29 173.80 1bqh s PRO 50 N 1.39 3.00 -0.11 1.67 0.04 -1.26 -4.37 135.00 135.37 1bqh s PRO 50 Ca 0.04 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.90 1bqh s PRO 50 Cb -0.24 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1bqh s PRO 50 CO 0.01 -1.18 -0.07 0.95 0.04 0.00 0.00 177.00 176.75 1bqh s THR 51 N -1.60 0.95 0.02 1.26 -4.23 0.40 -4.97 115.64 107.48 1bqh s THR 51 Ca 0.77 -0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 1bqh s THR 51 Cb -0.30 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.49 1bqh s THR 51 CO 0.33 0.35 1.67 0.12 -0.54 0.00 0.00 174.62 176.55 1bqh s PHE 52 N 1.68 2.18 0.00 3.99 5.36 -1.26 -1.21 117.98 128.71 1bqh s PHE 52 Ca 0.04 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 1bqh s PHE 52 Cb -0.13 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1bqh s PHE 52 CO -0.07 -3.93 0.00 0.28 -1.46 0.00 0.00 175.22 170.04 1bqh n VAL 53 N 5.08 0.00 -3.87 3.12 0.31 -0.80 -4.66 118.33 117.51 1bqh n VAL 53 Ca 0.17 0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1bqh n VAL 53 Cb 0.42 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 1bqh n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bqh s VAL 54 N -0.44 0.14 -0.03 2.52 0.11 -1.02 -2.77 120.40 118.90 1bqh s VAL 54 Ca 0.00 -1.13 0.06 0.00 -2.93 0.00 0.00 61.98 57.98 1bqh s VAL 54 Cb 0.00 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1bqh s VAL 54 CO 0.00 -0.62 -0.21 -0.47 -3.33 0.00 0.00 175.10 170.46 1bqh s TYR 55 N -3.43 1.99 -0.01 1.54 5.04 0.20 0.57 117.35 123.26 1bqh s TYR 55 Ca 0.02 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.19 1bqh s TYR 55 Cb 0.03 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 41.04 1bqh s TYR 55 CO -0.09 -0.11 -0.06 -1.64 -1.34 0.00 0.00 175.55 172.32 1bqh s MET 56 N -0.30 0.53 0.35 4.97 -1.94 0.38 -1.30 119.30 121.99 1bqh s MET 56 Ca 0.03 -0.19 -0.12 0.00 -1.71 0.00 0.00 55.69 53.69 1bqh s MET 56 Cb -0.10 -0.53 -0.08 0.00 2.01 0.00 0.00 34.83 36.14 1bqh s MET 56 CO 0.01 0.10 0.73 0.00 -0.01 0.00 0.00 175.02 175.85 1bqh s ALA 57 N 0.03 3.36 -1.51 3.03 0.00 -1.23 -0.62 121.76 124.82 1bqh s ALA 57 Ca 0.00 -0.11 0.28 0.00 0.00 0.00 0.00 51.96 52.13 1bqh s ALA 57 Cb -0.04 -2.70 1.08 0.00 0.00 0.00 0.00 23.12 21.46 1bqh s ALA 57 CO -0.00 0.19 1.77 -1.13 0.00 0.00 0.00 175.76 176.60 1bqh n SER 58 N -0.77 0.49 0.00 0.00 3.41 -1.26 -4.49 113.62 111.00 1bqh n SER 58 Ca 0.03 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1bqh n SER 58 Cb 0.53 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1bqh n SER 58 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bqh n SER 59 N -1.05 0.00 -4.80 4.04 3.41 -1.26 -4.94 113.62 109.02 1bqh n SER 59 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 1bqh n SER 59 Cb 0.30 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1bqh n SER 59 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1bqh s HIS 60 N -0.50 3.39 -1.89 7.33 0.00 -1.26 -4.91 115.29 117.44 1bqh s HIS 60 Ca 0.00 1.66 0.00 0.00 -3.00 0.00 0.00 55.06 53.72 1bqh s HIS 60 Cb 0.00 -2.94 0.00 0.00 -4.00 0.00 0.00 32.58 25.64 1bqh s HIS 60 CO 0.00 -0.17 0.75 0.09 -1.00 0.00 0.00 174.74 174.41 1bqh n ASN 61 N -0.22 0.09 -4.69 7.38 5.03 -1.26 -3.93 115.26 117.66 1bqh n ASN 61 Ca 0.05 -1.59 -0.41 0.00 0.87 0.00 0.00 54.58 53.50 1bqh n ASN 61 Cb 0.52 -0.05 -0.04 0.00 -1.02 0.00 0.00 39.78 39.20 1bqh n ASN 61 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bqh s LYS 62 N -1.89 4.41 -0.06 3.52 2.20 -1.26 -4.99 119.74 121.67 1bqh s LYS 62 Ca 0.00 1.15 0.04 0.00 -0.36 0.00 0.00 55.97 56.80 1bqh s LYS 62 Cb 0.00 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1bqh s LYS 62 CO 0.00 -0.18 -0.17 0.96 -0.36 0.00 0.00 175.35 175.60 1bqh s ILE 63 N 1.59 2.80 -0.25 5.43 -0.00 -1.26 -3.57 121.20 125.95 1bqh s ILE 63 Ca 0.43 -0.81 0.02 0.00 -0.00 0.00 0.00 60.65 60.29 1bqh s ILE 63 Cb -0.18 -2.08 0.05 0.00 -0.00 0.00 0.00 42.46 40.24 1bqh s ILE 63 CO 0.18 0.58 -0.11 -0.89 -0.00 0.00 0.00 174.94 174.70 1bqh s THR 64 N -0.52 2.32 0.20 8.37 2.01 -0.42 -5.00 115.64 122.59 1bqh s THR 64 Ca 0.07 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 60.70 1bqh s THR 64 Cb -0.12 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1bqh s THR 64 CO 0.01 0.10 0.27 0.79 -0.69 0.00 0.00 174.62 175.11 1bqh n TRP 65 N 4.52 -2.72 -3.98 4.92 7.02 -1.26 -0.62 117.44 125.30 1bqh n TRP 65 Ca -0.16 -0.73 -0.30 0.00 -1.02 0.00 0.00 57.50 55.29 1bqh n TRP 65 Cb 0.44 -0.19 -0.16 0.00 -2.42 0.00 0.00 31.31 28.99 1bqh n TRP 65 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1bqh s ASP 66 N -2.23 3.40 0.00 -0.99 2.15 -1.12 -4.94 116.67 112.94 1bqh s ASP 66 Ca 0.21 -0.90 0.00 0.00 0.43 0.00 0.00 52.55 52.29 1bqh s ASP 66 Cb -0.02 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 1bqh s ASP 66 CO 0.13 -0.16 0.04 -1.84 -0.17 0.00 0.00 175.17 173.17 1bqh n GLU 67 N 4.69 0.00 -2.85 4.34 0.00 -1.26 -4.71 120.64 120.86 1bqh n GLU 67 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.65 1bqh n GLU 67 Cb 0.46 -1.04 -0.06 0.00 0.00 0.00 0.00 31.44 30.80 1bqh n GLU 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1bqh s LYS 68 N -1.89 4.55 -0.48 3.44 2.20 -1.26 -3.76 119.74 122.53 1bqh s LYS 68 Ca 0.00 1.25 -0.03 0.00 -0.36 0.00 0.00 55.97 56.83 1bqh s LYS 68 Cb 0.00 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1bqh s LYS 68 CO 0.00 0.35 0.05 -0.11 -0.36 0.00 0.00 175.35 175.28 1bqh n LEU 69 N 0.77 -0.25 0.00 5.43 7.94 -1.26 -3.62 117.00 126.01 1bqh n LEU 69 Ca 0.00 -0.42 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 1bqh n LEU 69 Cb 0.50 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.93 1bqh n LEU 69 CO 0.45 0.18 0.00 -3.20 -1.11 0.00 0.00 177.39 173.71 1bqh n ASN 70 N -0.59 0.00 -1.05 1.96 2.85 -1.25 -4.77 115.26 112.42 1bqh n ASN 70 Ca -0.09 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.37 1bqh n ASN 70 Cb 0.22 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.45 1bqh n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1bqh n SER 71 N 0.00 2.68 -4.56 1.20 7.64 -1.24 -4.92 113.62 114.42 1bqh n SER 71 Ca 0.00 -3.62 -0.37 0.00 1.01 0.00 0.00 58.87 55.89 1bqh n SER 71 Cb 0.00 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1bqh n SER 71 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1bqh s SER 72 N -2.48 5.93 0.00 6.43 0.01 -1.26 -2.34 113.70 119.99 1bqh s SER 72 Ca 0.43 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1bqh s SER 72 Cb 0.39 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1bqh s SER 72 CO 0.01 -2.00 0.00 0.29 0.41 0.00 0.00 173.24 171.95 1bqh n LYS 73 N 9.01 0.00 -0.01 12.44 4.76 -1.26 -4.94 118.16 138.16 1bqh n LYS 73 Ca 0.27 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.80 1bqh n LYS 73 Cb 0.50 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.55 1bqh n LYS 73 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1bqh n LEU 74 N 0.00 0.18 -4.48 -0.35 -0.00 -0.99 -4.58 117.00 106.79 1bqh n LEU 74 Ca 0.00 -0.11 -0.33 0.00 -0.00 0.00 0.00 56.01 55.57 1bqh n LEU 74 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1bqh n LEU 74 CO 0.00 0.05 -0.40 -0.36 -0.00 0.00 0.00 177.39 176.68 1bqh s PHE 75 N -3.14 2.90 -0.20 1.47 0.08 -1.24 0.11 117.98 117.97 1bqh s PHE 75 Ca -0.04 -0.30 -0.15 0.00 0.12 0.00 0.00 56.93 56.56 1bqh s PHE 75 Cb 0.12 -1.82 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1bqh s PHE 75 CO 0.75 0.04 0.52 0.45 -0.10 0.00 0.00 175.22 176.88 1bqh s SER 76 N -0.08 -0.60 -0.08 1.36 0.15 -0.42 -4.90 113.70 109.13 1bqh s SER 76 Ca -0.00 1.08 -0.11 0.00 0.70 0.00 0.00 55.95 57.61 1bqh s SER 76 Cb -0.13 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.23 1bqh s SER 76 CO 0.03 -0.19 0.30 0.00 1.20 0.00 0.00 173.24 174.57 1bqh s ALA 77 N 0.83 -0.73 0.32 5.45 0.00 -1.26 0.10 121.76 126.47 1bqh s ALA 77 Ca -0.04 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1bqh s ALA 77 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1bqh s ALA 77 CO -0.07 -0.18 0.11 0.00 0.00 0.00 0.00 175.76 175.63 1bqh s MET 78 N -0.30 1.65 -0.13 0.00 0.23 -0.41 -4.99 119.30 115.35 1bqh s MET 78 Ca -0.04 -1.94 0.02 0.00 -1.03 0.00 0.00 55.69 52.70 1bqh s MET 78 Cb -0.03 -0.45 0.01 0.00 -1.53 0.00 0.00 34.83 32.83 1bqh s MET 78 CO 0.01 -0.36 -0.19 0.50 -2.03 0.00 0.00 175.02 172.96 1bqh s ARG 79 N -3.86 2.65 0.00 3.16 3.00 -1.26 -0.77 118.95 121.87 1bqh s ARG 79 Ca 0.34 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 54.35 1bqh s ARG 79 Cb 0.06 -2.20 0.00 0.00 0.00 0.00 0.00 34.95 32.81 1bqh s ARG 79 CO 0.15 -0.06 0.00 -0.25 0.00 0.00 0.00 175.30 175.15 1bqh n ASP 80 N 4.19 0.00 0.00 -2.12 9.92 0.25 -4.97 116.55 123.82 1bqh n ASP 80 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1bqh n ASP 80 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1bqh n ASP 80 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1bqh n THR 81 N 0.00 0.00 -1.55 -3.53 -1.04 -1.26 -4.43 114.28 102.47 1bqh n THR 81 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1bqh n THR 81 Cb 0.00 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.37 1bqh n THR 81 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1bqh n ASN 82 N 0.00 1.69 -4.09 8.00 4.13 -1.26 -3.39 115.26 120.34 1bqh n ASN 82 Ca 0.00 -0.85 -0.33 0.00 1.68 0.00 0.00 54.58 55.08 1bqh n ASN 82 Cb 0.00 -1.49 -0.08 0.00 -1.54 0.00 0.00 39.78 36.67 1bqh n ASN 82 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bqh n ASN 83 N 15.91 -0.64 -4.41 6.41 4.13 -1.26 -4.69 115.26 130.70 1bqh n ASN 83 Ca 0.45 -1.08 -0.41 0.00 1.68 0.00 0.00 54.58 55.23 1bqh n ASN 83 Cb 0.43 -1.37 -0.11 0.00 -1.54 0.00 0.00 39.78 37.20 1bqh n ASN 83 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bqh s LYS 84 N -6.50 2.99 -0.35 3.52 -0.14 -1.22 -0.96 119.74 117.08 1bqh s LYS 84 Ca 0.44 -0.97 -0.06 0.00 -1.36 0.00 0.00 55.97 54.02 1bqh s LYS 84 Cb -0.26 -3.76 0.05 0.00 -1.68 0.00 0.00 37.83 32.19 1bqh s LYS 84 CO 0.87 -0.64 0.13 0.71 -0.76 0.00 0.00 175.35 175.66 1bqh s TYR 85 N 1.60 3.29 -0.03 3.18 1.51 0.39 0.86 117.35 128.16 1bqh s TYR 85 Ca 0.03 -1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 54.38 1bqh s TYR 85 Cb -0.19 -2.44 -0.05 0.00 -0.11 0.00 0.00 41.96 39.17 1bqh s TYR 85 CO 0.07 -0.77 0.44 0.08 -1.11 0.00 0.00 175.55 174.26 1bqh s VAL 86 N 1.37 5.05 -0.26 0.71 1.01 0.05 0.41 120.40 128.74 1bqh s VAL 86 Ca -0.00 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1bqh s VAL 86 Cb -0.20 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1bqh s VAL 86 CO 0.02 0.50 0.05 -0.22 0.00 0.00 0.00 175.10 175.45 1bqh s LEU 87 N -0.54 2.04 -0.04 3.92 2.96 0.28 -1.28 118.68 126.02 1bqh s LEU 87 Ca 0.25 -1.32 -0.05 0.00 -0.22 0.00 0.00 54.13 52.79 1bqh s LEU 87 Cb -0.16 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1bqh s LEU 87 CO 0.13 -0.35 0.19 0.42 -1.32 0.00 0.00 176.35 175.42 1bqh s THR 88 N 1.63 5.43 -0.25 3.68 -4.23 0.29 0.09 115.64 122.28 1bqh s THR 88 Ca 0.04 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1bqh s THR 88 Cb -0.18 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1bqh s THR 88 CO -0.16 0.44 0.09 -0.76 -0.54 0.00 0.00 174.62 173.69 1bqh s LEU 89 N -1.58 3.58 -0.63 4.79 1.43 0.43 -1.30 118.68 125.41 1bqh s LEU 89 Ca 0.23 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1bqh s LEU 89 Cb -0.13 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1bqh s LEU 89 CO 0.13 -0.01 1.29 0.20 0.23 0.00 0.00 176.35 178.19 1bqh s ASN 90 N 1.49 6.25 -0.18 2.29 -0.87 0.30 -2.53 114.94 121.69 1bqh s ASN 90 Ca 0.06 -0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.29 1bqh s ASN 90 Cb -0.15 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.54 1bqh s ASN 90 CO 0.05 -1.67 0.09 1.17 -2.57 0.00 0.00 177.10 174.16 1bqh n LYS 91 N 8.81 -2.88 -1.55 -0.60 4.81 -1.23 -4.47 118.16 121.05 1bqh n LYS 91 Ca 0.08 2.37 -0.16 0.00 -0.87 0.00 0.00 58.31 59.73 1bqh n LYS 91 Cb 0.49 -4.02 -0.09 0.00 0.02 0.00 0.00 35.03 31.43 1bqh n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bqh n PHE 92 N 0.84 1.03 -2.60 5.64 -0.00 0.72 -4.60 117.46 118.48 1bqh n PHE 92 Ca -0.15 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.17 1bqh n PHE 92 Cb 0.23 -2.35 0.06 0.00 -0.00 0.00 0.00 39.48 37.41 1bqh n PHE 92 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1bqh n SER 93 N 16.84 0.90 0.16 -2.13 3.41 -1.26 -0.92 113.62 130.61 1bqh n SER 93 Ca 0.49 -1.72 0.01 0.00 -0.26 0.00 0.00 58.87 57.39 1bqh n SER 93 Cb 0.40 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.27 1bqh n SER 93 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bqh h LYS 94 N 0.00 0.01 0.00 4.33 3.64 -1.98 -2.62 116.57 119.95 1bqh h LYS 94 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1bqh h LYS 94 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1bqh h LYS 94 CO 0.21 0.49 0.00 0.39 -2.27 0.00 0.00 179.45 178.27 1bqh n GLU 95 N -3.96 0.06 -0.05 1.90 4.71 -1.26 -2.81 120.64 119.22 1bqh n GLU 95 Ca -0.02 0.19 -0.06 0.00 -0.01 0.00 0.00 57.16 57.26 1bqh n GLU 95 Cb 0.50 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.29 1bqh n GLU 95 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1bqh n ASN 96 N -1.45 0.36 -4.66 1.62 3.02 -0.99 -4.96 115.26 108.19 1bqh n ASN 96 Ca 0.05 0.16 -0.46 0.00 -0.03 0.00 0.00 54.58 54.31 1bqh n ASN 96 Cb 0.19 0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 40.03 1bqh n ASN 96 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1bqh n GLU 97 N -2.79 2.00 -2.02 3.52 2.13 -1.12 -4.80 120.64 117.55 1bqh n GLU 97 Ca -0.22 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1bqh n GLU 97 Cb 1.02 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1bqh n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bqh n GLY 98 N 2.78 -0.43 3.30 8.31 0.00 -0.86 -2.43 105.19 115.85 1bqh n GLY 98 Ca 0.15 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.47 2.75 0.17 1.61 1.51 -0.80 -0.87 117.35 118.25 1bqh s TYR 99 Ca 0.00 -0.87 0.09 0.00 -1.01 0.00 0.00 57.07 55.28 1bqh s TYR 99 Cb 0.00 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1bqh s TYR 99 CO 0.00 -0.35 -0.11 0.71 -1.11 0.00 0.00 175.55 174.69 1bqh s TYR 100 N 0.53 2.62 -0.28 2.71 1.51 -1.01 0.54 117.35 123.97 1bqh s TYR 100 Ca -0.10 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.48 1bqh s TYR 100 Cb -0.16 -1.29 0.15 0.00 -0.11 0.00 0.00 41.96 40.55 1bqh s TYR 100 CO 0.04 0.50 1.22 -0.59 -1.11 0.00 0.00 175.55 175.61 1bqh s PHE 101 N -1.64 -0.27 0.17 2.71 -0.71 -0.83 -0.81 117.98 116.60 1bqh s PHE 101 Ca 0.24 0.66 -0.05 0.00 -1.04 0.00 0.00 56.93 56.74 1bqh s PHE 101 Cb -0.09 0.42 -0.06 0.00 -1.21 0.00 0.00 43.02 42.09 1bqh s PHE 101 CO 0.15 -0.14 0.41 0.00 -1.34 0.00 0.00 175.22 174.30 1bqh s SER 103 N -2.56 1.82 0.07 0.00 0.15 0.68 -0.99 113.70 112.86 1bqh s SER 103 Ca 0.42 -0.84 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 1bqh s SER 103 Cb -0.12 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1bqh s SER 103 CO 0.25 -0.21 0.25 -0.69 1.20 0.00 0.00 173.24 174.04 1bqh s VAL 104 N -2.41 0.11 -0.16 4.45 1.01 -0.77 -1.01 120.40 121.62 1bqh s VAL 104 Ca 0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1bqh s VAL 104 Cb -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1bqh s VAL 104 CO 0.02 -0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 173.81 1bqh s ILE 105 N -3.20 1.84 -0.16 2.22 1.01 -1.26 -0.81 121.20 120.84 1bqh s ILE 105 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1bqh s ILE 105 Cb 0.02 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1bqh s ILE 105 CO -0.07 0.50 -0.16 -0.55 0.00 0.00 0.00 174.94 174.66 1bqh s SER 106 N 1.32 2.80 -1.25 3.58 0.15 -0.70 -4.57 113.70 115.03 1bqh s SER 106 Ca 0.04 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.00 1bqh s SER 106 Cb -0.13 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1bqh s SER 106 CO -0.11 -0.04 0.63 0.59 1.20 0.00 0.00 173.24 175.52 1bqh n ASN 107 N 4.70 -3.33 0.00 5.45 3.02 -1.26 -1.57 115.26 122.28 1bqh n ASN 107 Ca -0.18 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1bqh n ASN 107 Cb 0.50 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 1bqh n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bqh n SER 108 N -2.70 0.00 -4.72 6.41 7.64 -1.26 -4.98 113.62 114.00 1bqh n SER 108 Ca -0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.31 1bqh n SER 108 Cb 0.62 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 1bqh n SER 108 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1bqh s VAL 109 N -0.49 4.99 -0.10 0.44 -7.23 -0.61 -5.06 120.40 112.34 1bqh s VAL 109 Ca 0.00 1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 61.42 1bqh s VAL 109 Cb 0.00 -4.05 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1bqh s VAL 109 CO 0.00 0.28 0.64 -0.04 -0.31 0.00 0.00 175.10 175.66 1bqh s MET 110 N 0.60 4.37 -0.02 4.82 -1.94 -1.26 -1.72 119.30 124.15 1bqh s MET 110 Ca 0.37 0.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.12 1bqh s MET 110 Cb -0.18 -3.47 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1bqh s MET 110 CO 0.19 0.03 -0.10 0.71 -0.01 0.00 0.00 175.02 175.84 1bqh s TYR 111 N 0.97 2.82 -0.02 -0.03 2.02 0.01 -4.98 117.35 118.13 1bqh s TYR 111 Ca 0.33 -0.08 0.04 0.00 -0.37 0.00 0.00 57.07 57.00 1bqh s TYR 111 Cb -0.17 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1bqh s TYR 111 CO 0.15 0.30 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.22 1bqh s PHE 112 N -0.88 1.43 0.70 2.71 0.08 -1.26 -1.84 117.98 118.92 1bqh s PHE 112 Ca 0.14 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.76 1bqh s PHE 112 Cb -0.11 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1bqh s PHE 112 CO 0.04 -0.08 1.06 -1.54 -0.10 0.00 0.00 175.22 174.61 1bqh s SER 113 N -0.17 5.33 0.29 1.36 1.04 -0.17 -4.96 113.70 116.42 1bqh s SER 113 Ca 0.02 1.52 -0.29 0.00 0.48 0.00 0.00 55.95 57.68 1bqh s SER 113 Cb -0.08 -2.39 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 1bqh s SER 113 CO 0.00 -1.46 1.29 -0.94 0.98 0.00 0.00 173.24 173.11 1bqh s SER 114 N -3.88 6.86 0.75 7.02 1.04 -1.26 -4.77 113.70 119.46 1bqh s SER 114 Ca 0.58 2.56 -0.14 0.00 0.48 0.00 0.00 55.95 59.43 1bqh s SER 114 Cb -0.14 -2.64 0.05 0.00 0.10 0.00 0.00 66.02 63.40 1bqh s SER 114 CO 0.55 -0.49 1.19 0.54 0.98 0.00 0.00 173.24 176.01 1bqh s VAL 115 N -0.77 2.35 -0.17 5.02 0.11 -1.26 -4.83 120.40 120.85 1bqh s VAL 115 Ca 0.51 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 1bqh s VAL 115 Cb -0.38 -2.68 0.05 0.00 -1.53 0.00 0.00 36.38 31.84 1bqh s VAL 115 CO 0.47 -0.10 -0.01 0.68 -3.33 0.00 0.00 175.10 172.81 1bqh s VAL 116 N -2.09 0.82 0.20 2.04 -7.23 0.01 -4.90 120.40 109.25 1bqh s VAL 116 Ca 0.73 -0.53 -0.32 0.00 -1.81 0.00 0.00 61.98 60.05 1bqh s VAL 116 Cb -0.28 -1.12 -0.12 0.00 0.56 0.00 0.00 36.38 35.43 1bqh s VAL 116 CO 0.47 0.02 1.69 -2.84 -0.31 0.00 0.00 175.10 174.12 1bqh s PRO 117 N 1.75 4.14 -0.44 4.82 0.02 -1.25 -2.39 135.00 141.65 1bqh s PRO 117 Ca 0.00 2.56 0.09 0.00 0.02 0.00 0.00 61.00 63.67 1bqh s PRO 117 Cb -0.16 -3.09 0.29 0.00 0.02 0.00 0.00 34.50 31.57 1bqh s PRO 117 CO -0.07 -0.72 0.66 0.28 -0.33 0.00 0.00 177.00 176.82 1bqh n VAL 118 N 3.90 0.34 -3.21 3.83 0.31 -0.05 -1.13 118.33 122.33 1bqh n VAL 118 Ca 0.15 -4.54 -0.21 0.00 -0.01 0.00 0.00 64.34 59.73 1bqh n VAL 118 Cb 0.36 -1.41 0.05 0.00 -0.91 0.00 0.00 33.84 31.93 1bqh n VAL 118 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1bqh s LEU 119 N -2.01 2.95 0.16 7.52 1.43 -1.21 -2.03 118.68 125.48 1bqh s LEU 119 Ca 0.39 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 1bqh s LEU 119 Cb 0.23 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 1bqh s LEU 119 CO -0.09 -1.37 1.11 -1.58 0.23 0.00 0.00 176.35 174.65 1bqh s GLN 120 N -4.63 4.57 -0.66 1.70 2.00 -1.26 -2.99 119.66 118.39 1bqh s GLN 120 Ca 0.57 1.72 -0.26 0.00 -2.00 0.00 0.00 55.36 55.40 1bqh s GLN 120 Cb -0.05 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.36 1bqh s GLN 120 CO 0.36 0.02 2.42 0.36 -0.50 0.00 0.00 175.29 177.96 1bqh n LYS 121 N 2.61 0.75 -0.07 1.67 2.85 -1.15 -3.80 118.16 121.02 1bqh n LYS 121 Ca 0.04 -0.34 0.00 0.00 -1.05 0.00 0.00 58.31 56.96 1bqh n LYS 121 Cb 0.46 -3.33 0.00 0.00 -0.65 0.00 0.00 35.03 31.51 1bqh n LYS 121 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1bqh n VAL 122 N 8.18 0.00 -1.11 0.58 3.14 -1.26 -3.00 118.33 124.86 1bqh n VAL 122 Ca 0.44 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.74 1bqh n VAL 122 Cb 0.45 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.20 1bqh n VAL 122 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1bqh n SER 123 N 2.33 -3.55 -4.97 6.55 7.64 -1.25 -4.93 113.62 115.45 1bqh n SER 123 Ca 0.00 0.21 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 1bqh n SER 123 Cb 0.00 -2.92 0.01 0.00 -1.01 0.00 0.00 64.21 60.29 1bqh n SER 123 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bqh s SER 124 N -1.80 5.22 0.00 6.43 1.04 -1.16 -5.23 113.70 118.20 1bqh s SER 124 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1bqh s SER 124 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1bqh s SER 124 CO 0.00 -0.93 0.00 0.00 0.98 0.00 0.00 173.24 173.29