#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q n SER 2 N 0.00 -7.87 -1.68 1.61 2.88 -1.26 -4.30 113.62 103.00 1b8q n SER 2 Ca 0.00 1.55 -0.19 0.00 -1.33 0.00 0.00 58.87 58.90 1b8q n SER 2 Cb 0.00 -4.58 -0.07 0.00 -0.75 0.00 0.00 64.21 58.81 1b8q n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1b8q n HIS 3 N 1.54 -0.26 0.00 0.66 -0.00 -1.26 -4.30 115.22 111.60 1b8q n HIS 3 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1b8q n HIS 3 Cb 0.04 -3.30 0.00 0.00 -0.00 0.00 0.00 29.99 26.73 1b8q n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1b8q n MET 4 N -2.35 0.00 -1.29 -0.41 0.00 -1.26 -4.90 117.12 106.91 1b8q n MET 4 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.64 1b8q n MET 4 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.77 1b8q n MET 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1b8q n ILE 5 N 0.00 -1.09 -4.02 2.02 2.08 -1.26 -4.34 119.36 112.75 1b8q n ILE 5 Ca 0.00 0.91 -0.36 0.00 0.56 0.00 0.00 62.75 63.86 1b8q n ILE 5 Cb 0.00 -1.40 -0.07 0.00 -0.75 0.00 0.00 39.64 37.43 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1b8q s GLU 6 N -4.32 3.29 -0.17 0.38 0.41 -1.26 -4.98 118.70 112.06 1b8q s GLU 6 Ca 0.00 -0.25 -0.22 0.00 -0.41 0.00 0.00 54.97 54.09 1b8q s GLU 6 Cb 0.00 -3.05 -0.03 0.00 -1.78 0.00 0.00 34.13 29.27 1b8q s GLU 6 CO 0.00 0.74 0.66 -1.25 -0.49 0.00 0.00 175.26 174.91 1b8q s PRO 7 N -1.17 4.26 -0.37 0.39 0.04 -1.26 -4.92 135.00 131.97 1b8q s PRO 7 Ca 0.17 0.69 0.04 0.00 0.04 0.00 0.00 61.00 61.94 1b8q s PRO 7 Cb -0.12 -3.55 0.16 0.00 0.04 0.00 0.00 34.50 31.03 1b8q s PRO 7 CO 0.06 -0.18 0.41 -0.80 0.04 0.00 0.00 177.00 176.53 1b8q s ASN 8 N 1.10 0.83 -0.67 6.66 0.01 0.42 -4.25 114.94 119.04 1b8q s ASN 8 Ca 0.31 -1.44 -0.26 0.00 -0.71 0.00 0.00 52.86 50.76 1b8q s ASN 8 Cb -0.16 0.74 0.04 0.00 0.41 0.00 0.00 41.25 42.28 1b8q s ASN 8 CO 0.12 -0.25 1.14 0.54 -1.51 0.00 0.00 177.10 177.14 1b8q s VAL 9 N 1.53 4.01 0.00 1.60 0.11 -1.12 -3.04 120.40 123.49 1b8q s VAL 9 Ca 0.16 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1b8q s VAL 9 Cb -0.14 -4.78 0.00 0.00 -1.53 0.00 0.00 36.38 29.93 1b8q s VAL 9 CO -0.05 -1.58 0.00 0.00 -3.33 0.00 0.00 175.10 170.14 1b8q n ILE 10 N 6.29 0.00 -4.00 7.04 0.13 -0.93 -4.72 119.36 123.17 1b8q n ILE 10 Ca 0.02 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.44 1b8q n ILE 10 Cb 0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.25 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1b8q s SER 11 N 0.07 6.10 0.03 9.51 1.04 -1.26 -2.12 113.70 127.07 1b8q s SER 11 Ca 0.00 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 1b8q s SER 11 Cb 0.00 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 1b8q s SER 11 CO 0.00 -0.02 0.04 -0.69 0.98 0.00 0.00 173.24 173.54 1b8q s VAL 12 N -1.94 0.13 -0.05 5.02 1.01 0.38 -4.89 120.40 120.07 1b8q s VAL 12 Ca 0.34 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1b8q s VAL 12 Cb -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1b8q s VAL 12 CO 0.28 -0.61 -0.03 -0.60 0.00 0.00 0.00 175.10 174.14 1b8q s ARG 13 N -2.30 0.69 0.46 2.72 3.52 -1.26 0.13 118.95 122.91 1b8q s ARG 13 Ca -0.08 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 1b8q s ARG 13 Cb -0.03 -0.79 -0.02 0.00 -1.56 0.00 0.00 34.95 32.54 1b8q s ARG 13 CO -0.04 -0.13 0.06 -0.51 -0.81 0.00 0.00 175.30 173.88 1b8q s LEU 14 N 1.10 2.17 0.13 -0.88 1.02 0.80 -4.95 118.68 118.08 1b8q s LEU 14 Ca -0.08 -1.65 0.09 0.00 0.02 0.00 0.00 54.13 52.51 1b8q s LEU 14 Cb -0.14 -0.44 -0.04 0.00 0.02 0.00 0.00 46.19 45.60 1b8q s LEU 14 CO -0.01 -0.87 -0.23 0.12 0.02 0.00 0.00 176.35 175.38 1b8q s PHE 15 N -3.03 1.99 -0.35 0.29 2.19 -1.26 0.15 117.98 117.96 1b8q s PHE 15 Ca 0.15 -0.41 0.01 0.00 0.33 0.00 0.00 56.93 57.02 1b8q s PHE 15 Cb 0.02 -1.06 0.11 0.00 -1.31 0.00 0.00 43.02 40.79 1b8q s PHE 15 CO 0.09 0.29 0.99 1.63 1.83 0.00 0.00 175.22 180.05 1b8q n LYS 16 N 0.85 1.34 -2.47 10.12 4.01 -1.07 -3.56 118.16 127.38 1b8q n LYS 16 Ca -0.18 -0.48 -0.05 0.00 -0.51 0.00 0.00 58.31 57.09 1b8q n LYS 16 Cb 0.54 -1.34 -0.00 0.00 -0.51 0.00 0.00 35.03 33.72 1b8q n LYS 16 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1b8q n ARG 17 N 0.19 -2.67 -1.66 1.97 3.00 -1.26 0.16 116.66 116.39 1b8q n ARG 17 Ca 0.08 0.24 -0.05 0.00 -0.00 0.00 0.00 57.85 58.12 1b8q n ARG 17 Cb 0.59 -4.78 -0.01 0.00 0.00 0.00 0.00 32.46 28.25 1b8q n ARG 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b8q n LYS 18 N -2.62 -1.72 -1.44 -0.14 0.00 -1.26 -4.43 118.16 106.55 1b8q n LYS 18 Ca -0.06 0.27 -0.03 0.00 -0.00 0.00 0.00 58.31 58.50 1b8q n LYS 18 Cb 0.54 -4.54 0.01 0.00 -0.00 0.00 0.00 35.03 31.05 1b8q n LYS 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1b8q n VAL 19 N -1.92 0.00 -3.63 0.58 0.24 0.22 -4.48 118.33 109.35 1b8q n VAL 19 Ca -0.05 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.34 61.71 1b8q n VAL 19 Cb 0.31 0.52 0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1b8q n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b8q n GLY 20 N -0.42 -1.09 2.52 7.63 0.00 0.43 -4.95 105.19 109.30 1b8q n GLY 20 Ca -0.13 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 1b8q n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 21 N -1.71 2.10 0.61 -0.02 0.00 -0.48 -4.94 105.19 100.75 1b8q n GLY 21 Ca -0.12 -1.18 0.41 0.00 0.00 0.00 0.00 46.02 45.13 1b8q n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b8q n LEU 22 N 0.02 0.00 0.00 0.99 4.32 -1.23 -4.31 117.00 116.79 1b8q n LEU 22 Ca 0.13 0.86 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 1b8q n LEU 22 Cb 0.76 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1b8q n LEU 22 CO 0.19 -0.86 0.00 0.61 -1.22 0.00 0.00 177.39 176.11 1b8q n GLY 23 N -1.80 0.92 3.55 -0.72 0.00 -1.26 -1.43 105.19 104.44 1b8q n GLY 23 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 1b8q n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8q s PHE 24 N -2.00 -0.70 0.71 1.61 -0.71 -1.26 -0.36 117.98 115.27 1b8q s PHE 24 Ca 0.00 1.65 -0.03 0.00 -1.04 0.00 0.00 56.93 57.51 1b8q s PHE 24 Cb 0.00 0.26 0.10 0.00 -1.21 0.00 0.00 43.02 42.17 1b8q s PHE 24 CO 0.00 -0.37 0.99 -0.51 -1.34 0.00 0.00 175.22 173.98 1b8q s LEU 25 N 0.15 2.98 0.18 -1.99 1.43 0.59 -4.82 118.68 117.21 1b8q s LEU 25 Ca -0.01 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1b8q s LEU 25 Cb -0.04 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1b8q s LEU 25 CO 0.02 -1.75 0.40 0.68 0.23 0.00 0.00 176.35 175.93 1b8q s VAL 26 N -3.16 0.04 -0.29 -1.59 -7.23 -1.26 -2.11 120.40 104.80 1b8q s VAL 26 Ca 0.64 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.64 1b8q s VAL 26 Cb -0.07 -1.76 0.10 0.00 0.56 0.00 0.00 36.38 35.21 1b8q s VAL 26 CO 0.44 -0.20 0.15 -0.54 -0.31 0.00 0.00 175.10 174.64 1b8q s LYS 27 N -3.93 0.21 -0.38 4.82 1.02 0.36 -4.77 119.74 117.07 1b8q s LYS 27 Ca 0.14 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 1b8q s LYS 27 Cb 0.01 -1.10 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 1b8q s LYS 27 CO -0.00 -1.02 0.30 -2.00 -0.92 0.00 0.00 175.35 171.71 1b8q s GLU 28 N 2.12 3.20 -0.25 1.68 2.12 -1.26 -1.89 118.70 124.41 1b8q s GLU 28 Ca 0.09 -0.82 -0.39 0.00 0.36 0.00 0.00 54.97 54.22 1b8q s GLU 28 Cb -0.16 -3.91 -0.15 0.00 0.26 0.00 0.00 34.13 30.17 1b8q s GLU 28 CO -0.36 -0.65 1.79 0.54 -0.54 0.00 0.00 175.26 176.04 1b8q n ARG 29 N 5.22 1.32 0.17 4.30 3.00 -1.23 -4.78 116.66 124.65 1b8q n ARG 29 Ca -0.11 0.48 0.11 0.00 -0.01 0.00 0.00 57.85 58.32 1b8q n ARG 29 Cb 0.48 -2.20 0.57 0.00 0.00 0.00 0.00 32.46 31.31 1b8q n ARG 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1b8q n VAL 30 N 4.79 0.98 -2.41 1.55 0.31 -1.26 -2.32 118.33 119.96 1b8q n VAL 30 Ca 0.26 0.74 0.03 0.00 -0.01 0.00 0.00 64.34 65.37 1b8q n VAL 30 Cb 0.16 -1.74 0.01 0.00 -0.91 0.00 0.00 33.84 31.36 1b8q n VAL 30 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1b8q n SER 31 N -2.25 0.76 -3.56 4.52 2.88 -1.26 -4.91 113.62 109.80 1b8q n SER 31 Ca -0.01 -1.99 -0.15 0.00 -1.33 0.00 0.00 58.87 55.38 1b8q n SER 31 Cb 0.07 -0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b8q s LYS 32 N 0.00 0.90 0.12 -1.46 1.02 -0.98 -5.08 119.74 114.25 1b8q s LYS 32 Ca 0.28 0.41 -0.19 0.00 0.02 0.00 0.00 55.97 56.49 1b8q s LYS 32 Cb 0.32 0.43 -0.06 0.00 -0.52 0.00 0.00 37.83 38.00 1b8q s LYS 32 CO -0.14 -0.24 1.72 -1.35 -0.92 0.00 0.00 175.35 174.42 1b8q h PRO 33 N 3.42 0.33 -5.03 -1.68 0.11 -1.83 -3.28 132.00 124.03 1b8q h PRO 33 Ca -0.26 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.37 1b8q h PRO 33 Cb 1.15 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 1b8q h PRO 33 CO 0.29 0.29 1.81 -2.30 -0.21 0.00 0.00 178.00 177.87 1b8q n PRO 34 N -4.87 0.06 -4.46 1.05 -0.02 -1.26 -4.66 135.00 120.82 1b8q n PRO 34 Ca -0.03 -0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 1b8q n PRO 34 Cb 0.07 -1.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1b8q n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b8q s VAL 35 N 6.31 3.06 0.33 -1.45 0.11 -1.26 -3.54 120.40 123.95 1b8q s VAL 35 Ca 1.32 -1.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.98 1b8q s VAL 35 Cb -1.05 -2.35 0.05 0.00 -1.53 0.00 0.00 36.38 31.49 1b8q s VAL 35 CO 0.50 0.25 0.80 -0.51 -3.33 0.00 0.00 175.10 172.81 1b8q s ILE 36 N -1.04 0.00 0.45 7.04 1.10 -0.79 -4.57 121.20 123.38 1b8q s ILE 36 Ca 0.17 -0.95 -0.16 0.00 -0.51 0.00 0.00 60.65 59.21 1b8q s ILE 36 Cb -0.11 -2.58 -0.08 0.00 0.15 0.00 0.00 42.46 39.84 1b8q s ILE 36 CO 0.08 0.00 0.90 -0.63 -2.11 0.00 0.00 174.94 173.18 1b8q s ILE 37 N -2.82 4.59 -0.03 2.00 1.01 -1.26 0.14 121.20 124.82 1b8q s ILE 37 Ca 0.14 1.08 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1b8q s ILE 37 Cb -0.05 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1b8q s ILE 37 CO 0.09 -0.53 -0.02 -0.24 0.00 0.00 0.00 174.94 174.24 1b8q n SER 38 N -1.22 3.86 -3.64 3.58 2.88 -0.90 -2.71 113.62 115.47 1b8q n SER 38 Ca 0.05 -0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 1b8q n SER 38 Cb 0.54 0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 1b8q n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b8q s ASP 39 N -4.13 -0.26 -1.05 -3.46 2.15 -1.26 -4.68 116.67 103.98 1b8q s ASP 39 Ca -0.04 0.51 -0.23 0.00 0.43 0.00 0.00 52.55 53.22 1b8q s ASP 39 Cb 0.01 0.51 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 1b8q s ASP 39 CO 0.08 -0.09 1.67 -0.76 -0.17 0.00 0.00 175.17 175.90 1b8q s LEU 40 N 0.13 3.43 0.16 -1.34 1.43 -1.26 -0.30 118.68 120.93 1b8q s LEU 40 Ca 0.05 -1.42 -0.31 0.00 -1.03 0.00 0.00 54.13 51.42 1b8q s LEU 40 Cb -0.05 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1b8q s LEU 40 CO -0.11 -1.91 1.53 0.00 0.23 0.00 0.00 176.35 176.09 1b8q n ILE 41 N 7.15 -0.67 -0.08 -0.59 0.13 0.52 -3.85 119.36 121.96 1b8q n ILE 41 Ca 0.38 2.40 -0.08 0.00 -1.10 0.00 0.00 62.75 64.35 1b8q n ILE 41 Cb 0.49 -2.96 -0.03 0.00 -0.84 0.00 0.00 39.64 36.30 1b8q n ILE 41 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1b8q n ARG 42 N -5.23 0.49 -0.14 9.51 0.63 -1.22 -4.99 116.66 115.72 1b8q n ARG 42 Ca 0.02 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1b8q n ARG 42 Cb 0.26 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1b8q n ARG 42 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b8q n GLY 43 N 1.54 1.33 0.00 5.14 0.00 -1.25 -4.98 105.19 106.96 1b8q n GLY 43 Ca -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1b8q n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 44 N -1.63 0.00 0.00 -0.02 0.00 -1.26 -4.16 105.19 98.12 1b8q n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b8q n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8q n ALA 45 N -1.49 0.00 0.40 4.61 0.00 -1.26 -4.12 120.51 118.65 1b8q n ALA 45 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1b8q n ALA 45 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 1b8q n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8q h ALA 46 N -2.00 -1.00 -0.69 0.00 0.00 -1.55 -1.81 119.26 112.21 1b8q h ALA 46 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.83 1b8q h ALA 46 Cb 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 1b8q h ALA 46 CO 0.00 -1.02 -0.01 1.49 0.00 0.00 0.00 179.25 179.71 1b8q h GLU 47 N -1.08 0.10 -0.67 0.00 4.22 -1.82 0.78 114.58 116.11 1b8q h GLU 47 Ca -0.10 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.42 1b8q h GLU 47 Cb 0.78 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1b8q h GLU 47 CO 0.17 0.06 0.44 0.37 -2.18 0.00 0.00 179.01 177.88 1b8q h GLN 48 N 0.10 0.53 -0.56 1.92 5.75 -1.68 -0.05 115.11 121.12 1b8q h GLN 48 Ca 0.37 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.91 1b8q h GLN 48 Cb 0.62 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 1b8q h GLN 48 CO -0.61 0.35 0.23 1.03 -2.65 0.00 0.00 178.83 177.18 1b8q h SER 49 N 0.55 0.26 0.00 -0.69 0.87 0.15 -3.47 113.55 111.22 1b8q h SER 49 Ca 0.31 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1b8q h SER 49 Cb 0.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1b8q h SER 49 CO -0.10 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 1b8q n GLY 50 N -1.27 1.60 1.41 5.77 0.00 -0.03 -4.91 105.19 107.75 1b8q n GLY 50 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1b8q n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1b8q n LEU 51 N 0.00 4.80 -3.83 0.99 -0.00 -1.26 -4.21 117.00 113.50 1b8q n LEU 51 Ca 0.00 -2.89 -0.28 0.00 -0.00 0.00 0.00 56.01 52.84 1b8q n LEU 51 Cb 0.00 -0.60 -0.12 0.00 -0.00 0.00 0.00 43.42 42.70 1b8q n LEU 51 CO 0.00 0.67 -0.10 -0.63 -0.00 0.00 0.00 177.39 177.33 1b8q s ILE 52 N -2.65 2.44 -0.03 1.47 1.09 -1.26 -4.89 121.20 117.37 1b8q s ILE 52 Ca 0.48 -3.88 0.03 0.00 -1.10 0.00 0.00 60.65 56.19 1b8q s ILE 52 Cb 0.37 -2.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.12 1b8q s ILE 52 CO 0.14 -1.01 -0.12 -1.10 -0.10 0.00 0.00 174.94 172.75 1b8q s GLN 53 N -1.05 2.52 0.28 2.79 1.11 -1.26 -3.78 119.66 120.26 1b8q s GLN 53 Ca 0.25 -0.70 -0.30 0.00 0.01 0.00 0.00 55.36 54.61 1b8q s GLN 53 Cb -0.06 -2.43 -0.12 0.00 -1.01 0.00 0.00 33.01 29.39 1b8q s GLN 53 CO -0.15 0.62 1.57 0.00 0.01 0.00 0.00 175.29 177.35 1b8q n ALA 54 N 2.06 2.32 -0.72 6.09 0.00 -1.26 -1.16 120.51 127.84 1b8q n ALA 54 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1b8q n ALA 54 Cb 0.52 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1b8q n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8q n GLY 55 N 2.30 0.81 0.00 0.00 0.00 -1.10 -4.95 105.19 102.25 1b8q n GLY 55 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1b8q n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8q n ASP 56 N 0.00 0.00 -3.54 1.61 9.92 -0.31 -4.94 116.55 119.29 1b8q n ASP 56 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1b8q n ASP 56 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1b8q n ASP 56 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1b8q s ILE 57 N 0.11 -0.81 -0.44 0.53 -1.16 -1.26 -4.87 121.20 113.30 1b8q s ILE 57 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 1b8q s ILE 57 Cb 0.00 -1.00 0.16 0.00 0.61 0.00 0.00 42.46 42.23 1b8q s ILE 57 CO 0.00 0.00 0.33 -0.51 -2.81 0.00 0.00 174.94 171.95 1b8q s ILE 58 N 2.74 0.67 -0.09 2.00 1.10 -1.26 -4.86 121.20 121.50 1b8q s ILE 58 Ca -0.04 -2.69 -0.07 0.00 -0.51 0.00 0.00 60.65 57.34 1b8q s ILE 58 Cb -0.10 -1.47 -0.06 0.00 0.15 0.00 0.00 42.46 40.98 1b8q s ILE 58 CO -0.18 -1.15 0.26 0.25 -2.11 0.00 0.00 174.94 172.01 1b8q h LEU 59 N 5.90 -0.09 -8.88 8.50 5.85 -1.79 -3.38 115.31 121.41 1b8q h LEU 59 Ca 0.20 -0.14 -0.69 0.00 0.84 0.00 0.00 57.88 58.09 1b8q h LEU 59 Cb 0.90 0.02 -0.24 0.00 0.37 0.00 0.00 40.66 41.72 1b8q h LEU 59 CO 0.40 0.46 -0.84 0.00 -0.34 0.00 0.00 178.44 178.12 1b8q s ALA 60 N -2.83 2.45 -0.05 1.25 0.00 -1.03 -3.14 121.76 118.41 1b8q s ALA 60 Ca -0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 1b8q s ALA 60 Cb -0.00 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1b8q s ALA 60 CO 0.16 0.56 0.23 0.08 0.00 0.00 0.00 175.76 176.78 1b8q s VAL 61 N -0.90 0.04 -1.71 0.00 1.01 -1.20 -0.93 120.40 116.70 1b8q s VAL 61 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1b8q s VAL 61 Cb -0.10 -0.43 0.15 0.00 0.00 0.00 0.00 36.38 36.00 1b8q s VAL 61 CO 0.04 -0.17 0.64 -0.46 0.00 0.00 0.00 175.10 175.15 1b8q n ASN 62 N 2.12 -2.31 -2.09 3.32 0.23 0.18 0.88 115.26 117.58 1b8q n ASN 62 Ca -0.18 -1.09 -0.19 0.00 -0.53 0.00 0.00 54.58 52.59 1b8q n ASN 62 Cb 0.57 -2.39 -0.03 0.00 -2.08 0.00 0.00 39.78 35.84 1b8q n ASN 62 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1b8q n ASP 63 N -2.65 -5.19 -4.09 0.53 2.03 -1.26 -4.90 116.55 101.01 1b8q n ASP 63 Ca 0.02 0.19 -0.34 0.00 0.52 0.00 0.00 54.79 55.18 1b8q n ASP 63 Cb 0.51 -4.44 -0.13 0.00 -0.72 0.00 0.00 41.12 36.34 1b8q n ASP 63 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1b8q s ARG 64 N -4.50 1.90 -0.80 -0.67 1.81 0.25 -5.03 118.95 111.91 1b8q s ARG 64 Ca 0.00 -1.76 -0.19 0.00 -1.72 0.00 0.00 55.73 52.06 1b8q s ARG 64 Cb 0.00 -3.40 -0.18 0.00 -0.45 0.00 0.00 34.95 30.91 1b8q s ARG 64 CO 0.00 -0.97 2.06 -2.30 -0.68 0.00 0.00 175.30 173.42 1b8q n PRO 65 N 4.49 0.23 -1.31 3.54 -0.02 -1.26 -3.25 135.00 137.41 1b8q n PRO 65 Ca -0.02 -0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 60.24 1b8q n PRO 65 Cb 0.42 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 1b8q n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1b8q n LEU 66 N 14.74 7.84 0.03 2.45 4.77 -1.19 -4.21 117.00 141.43 1b8q n LEU 66 Ca 0.42 -4.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 1b8q n LEU 66 Cb 0.40 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1b8q n LEU 66 CO 0.65 1.65 0.00 1.33 -1.33 0.00 0.00 177.39 179.69 1b8q n VAL 67 N 4.01 0.40 -1.62 4.08 0.24 -1.26 -4.68 118.33 119.50 1b8q n VAL 67 Ca 0.69 0.13 0.06 0.00 -2.04 0.00 0.00 64.34 63.18 1b8q n VAL 67 Cb 0.25 -0.97 0.13 0.00 -1.47 0.00 0.00 33.84 31.78 1b8q n VAL 67 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1b8q n ASP 68 N -2.94 1.58 -4.97 -1.34 5.68 -1.26 -3.96 116.55 109.34 1b8q n ASP 68 Ca 0.00 -3.09 -0.20 0.00 -0.50 0.00 0.00 54.79 51.00 1b8q n ASP 68 Cb 0.00 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 39.63 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8q n LEU 69 N -0.83 0.00 -4.55 -2.12 -0.00 -1.26 -4.99 117.00 103.26 1b8q n LEU 69 Ca 0.14 -2.55 -0.34 0.00 -0.00 0.00 0.00 56.01 53.26 1b8q n LEU 69 Cb 0.75 -0.42 -0.04 0.00 -0.00 0.00 0.00 43.42 43.71 1b8q n LEU 69 CO -0.02 -0.71 1.55 -0.44 -0.00 0.00 0.00 177.39 177.77 1b8q s SER 70 N -4.63 5.09 0.19 1.45 0.01 -1.26 -4.84 113.70 109.72 1b8q s SER 70 Ca 0.60 0.09 -0.25 0.00 1.31 0.00 0.00 55.95 57.71 1b8q s SER 70 Cb -0.05 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.72 1b8q s SER 70 CO 0.38 -2.60 1.55 0.22 0.41 0.00 0.00 173.24 173.20 1b8q h TYR 71 N 14.21 -1.47 0.00 2.43 3.20 -1.89 1.12 116.97 134.58 1b8q h TYR 71 Ca -0.14 0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1b8q h TYR 71 Cb 1.12 0.77 -0.00 0.00 1.54 0.00 0.00 36.73 40.15 1b8q h TYR 71 CO 1.09 -0.40 -0.03 0.22 -1.64 0.00 0.00 178.16 177.41 1b8q h ASP 72 N -0.05 0.00 -0.07 -2.11 1.82 -1.92 -1.01 116.42 113.09 1b8q h ASP 72 Ca 0.24 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.72 1b8q h ASP 72 Cb 0.52 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.54 1b8q h ASP 72 CO -0.91 0.03 -0.55 -1.28 -1.61 0.00 0.00 179.24 174.91 1b8q h SER 73 N 0.00 0.60 -0.53 2.28 0.87 0.61 -1.88 113.55 115.51 1b8q h SER 73 Ca -0.00 -0.68 0.06 0.00 -1.23 0.00 0.00 61.79 59.94 1b8q h SER 73 Cb 0.06 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1b8q h SER 73 CO 0.00 1.19 0.35 0.00 -0.53 0.00 0.00 176.83 177.85 1b8q h ALA 74 N 0.42 1.88 -0.18 6.23 0.00 0.93 0.16 119.26 128.70 1b8q h ALA 74 Ca -0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1b8q h ALA 74 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1b8q h ALA 74 CO 0.11 0.03 -0.55 -0.07 0.00 0.00 0.00 179.25 178.77 1b8q h LEU 75 N 0.48 0.59 -0.26 0.00 -0.00 -1.06 -2.33 115.31 112.74 1b8q h LEU 75 Ca 0.23 -0.32 -0.21 0.00 -0.00 0.00 0.00 57.88 57.59 1b8q h LEU 75 Cb 0.30 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1b8q h LEU 75 CO -0.06 1.02 -0.85 1.05 -0.00 0.00 0.00 178.44 179.60 1b8q h GLU 76 N 0.41 0.42 -0.62 1.13 4.11 -0.25 0.10 114.58 119.88 1b8q h GLU 76 Ca 0.01 -0.40 -0.02 0.00 0.07 0.00 0.00 59.36 59.02 1b8q h GLU 76 Cb 1.08 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1b8q h GLU 76 CO 0.10 1.06 0.33 0.28 0.07 0.00 0.00 179.01 180.85 1b8q h VAL 77 N 0.26 1.21 0.00 -1.06 2.07 -0.70 -2.21 116.25 115.82 1b8q h VAL 77 Ca -0.06 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1b8q h VAL 77 Cb 1.46 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1b8q h VAL 77 CO 0.15 0.23 -0.45 0.17 0.02 0.00 0.00 177.57 177.69 1b8q h LEU 78 N 0.85 0.00 -0.87 2.57 8.10 -1.38 -3.25 115.31 121.32 1b8q h LEU 78 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.19 1b8q h LEU 78 Cb 0.07 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.24 1b8q h LEU 78 CO -0.03 0.45 0.48 -0.09 -4.11 0.00 0.00 178.44 175.13 1b8q h ARG 79 N 0.00 1.22 -0.01 0.17 9.65 -0.19 -1.46 114.38 123.76 1b8q h ARG 79 Ca -0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1b8q h ARG 79 Cb 1.30 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1b8q h ARG 79 CO 0.06 0.89 0.15 0.78 2.80 0.00 0.00 179.97 184.65 1b8q h GLY 80 N 1.22 0.00 -6.89 2.80 0.00 -1.49 -3.41 103.07 95.30 1b8q h GLY 80 Ca 0.31 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.03 1b8q h GLY 80 CO -0.05 0.00 1.46 1.39 0.00 0.00 0.00 176.54 179.34 1b8q n ILE 81 N -3.05 0.33 0.00 2.60 5.41 -0.55 -4.95 119.36 119.15 1b8q n ILE 81 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1b8q n ILE 81 Cb 0.21 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 36.81 1b8q n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b8q n ALA 82 N 11.04 0.00 -2.89 -1.39 0.00 -1.26 -4.82 120.51 121.19 1b8q n ALA 82 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 1b8q n ALA 82 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.85 1b8q n ALA 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b8q n SER 83 N -1.23 0.14 -2.72 0.00 3.41 -1.26 -4.53 113.62 107.44 1b8q n SER 83 Ca 0.00 -1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 57.40 1b8q n SER 83 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1b8q n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b8q n GLU 84 N -1.10 -2.65 -4.44 4.33 -0.58 -1.26 -4.89 120.64 110.04 1b8q n GLU 84 Ca 0.01 0.27 -0.22 0.00 -0.42 0.00 0.00 57.16 56.80 1b8q n GLU 84 Cb 0.04 -4.84 -0.10 0.00 -0.57 0.00 0.00 31.44 25.97 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1b8q s THR 85 N -2.41 1.96 0.53 2.62 -1.32 -1.26 -5.06 115.64 110.70 1b8q s THR 85 Ca 0.10 -2.22 0.08 0.00 -1.21 0.00 0.00 61.69 58.45 1b8q s THR 85 Cb -0.06 -2.37 0.05 0.00 -1.51 0.00 0.00 72.50 68.61 1b8q s THR 85 CO 0.13 -0.36 0.63 -1.00 -2.21 0.00 0.00 174.62 171.81 1b8q s HIS 86 N -2.82 1.82 0.06 9.09 3.76 -1.26 -2.61 115.29 123.33 1b8q s HIS 86 Ca 0.29 -0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 54.40 1b8q s HIS 86 Cb 0.01 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.54 1b8q s HIS 86 CO 0.12 -0.78 0.28 0.54 -0.85 0.00 0.00 174.74 174.05 1b8q s VAL 87 N -2.62 0.10 0.29 -0.90 0.11 0.41 -4.70 120.40 113.08 1b8q s VAL 87 Ca 0.53 -0.79 0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1b8q s VAL 87 Cb -0.05 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1b8q s VAL 87 CO 0.33 -0.44 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.97 1b8q s VAL 88 N -2.91 3.15 0.10 2.04 1.01 -1.26 -0.14 120.40 122.39 1b8q s VAL 88 Ca -0.02 -1.94 -0.18 0.00 0.00 0.00 0.00 61.98 59.83 1b8q s VAL 88 Cb 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.63 1b8q s VAL 88 CO -0.06 -0.32 0.44 -0.76 0.00 0.00 0.00 175.10 174.40 1b8q s LEU 89 N -3.69 0.22 -0.03 3.92 1.43 0.34 0.47 118.68 121.35 1b8q s LEU 89 Ca 0.33 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1b8q s LEU 89 Cb -0.05 1.95 0.01 0.00 0.03 0.00 0.00 46.19 48.13 1b8q s LEU 89 CO 0.20 -0.81 -0.07 -0.63 0.23 0.00 0.00 176.35 175.27 1b8q s ILE 90 N -3.37 0.61 0.37 -0.59 -1.09 -0.11 0.14 121.20 117.17 1b8q s ILE 90 Ca 0.00 -0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.26 1b8q s ILE 90 Cb 0.01 -0.56 -0.06 0.00 -1.58 0.00 0.00 42.46 40.26 1b8q s ILE 90 CO -0.09 0.21 0.03 -0.76 -1.23 0.00 0.00 174.94 173.10 1b8q s LEU 91 N 0.36 2.95 0.26 2.97 1.43 -0.90 -2.47 118.68 123.27 1b8q s LEU 91 Ca -0.05 -1.13 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 1b8q s LEU 91 Cb -0.09 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1b8q s LEU 91 CO 0.00 -0.35 0.23 -0.13 0.23 0.00 0.00 176.35 176.33 1b8q s ARG 92 N -3.74 2.99 0.00 1.70 1.81 -1.17 -2.19 118.95 118.35 1b8q s ARG 92 Ca 0.36 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.35 1b8q s ARG 92 Cb 0.04 -2.61 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 1b8q s ARG 92 CO 0.19 0.39 0.00 0.41 -0.68 0.00 0.00 175.30 175.61 1b8q n GLY 93 N -1.23 1.10 3.98 -3.53 0.00 -1.24 0.16 105.19 104.43 1b8q n GLY 93 Ca -0.08 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1b8q n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8q s PRO 94 N 2.72 2.81 0.15 1.61 0.04 -1.26 -4.43 135.00 136.64 1b8q s PRO 94 Ca 0.00 -0.83 0.05 0.00 0.04 0.00 0.00 61.00 60.25 1b8q s PRO 94 Cb 0.00 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1b8q s PRO 94 CO 0.00 -0.41 0.13 -1.21 0.04 0.00 0.00 177.00 175.56 1b8q s GLU 95 N -4.55 2.92 0.00 4.56 0.41 -1.26 -4.37 118.70 116.42 1b8q s GLU 95 Ca 0.53 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 54.25 1b8q s GLU 95 Cb -0.10 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1b8q s GLU 95 CO 0.36 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 176.04 1b8q n GLY 96 N -0.25 0.45 3.26 -1.39 0.00 -1.26 -5.04 105.19 100.96 1b8q n GLY 96 Ca -0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1b8q n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8q s PHE 97 N -2.00 -0.37 -0.10 1.61 0.40 -1.26 -1.76 117.98 114.50 1b8q s PHE 97 Ca 0.00 0.87 -0.19 0.00 -0.60 0.00 0.00 56.93 57.01 1b8q s PHE 97 Cb 0.00 0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.62 1b8q s PHE 97 CO 0.00 -0.23 0.50 0.95 0.70 0.00 0.00 175.22 177.14 1b8q s THR 98 N -0.08 5.15 -0.61 0.64 -4.23 0.22 -4.75 115.64 111.98 1b8q s THR 98 Ca -0.02 1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 1b8q s THR 98 Cb -0.03 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.13 1b8q s THR 98 CO 0.01 0.34 0.46 0.42 -0.54 0.00 0.00 174.62 175.31 1b8q s THR 99 N 0.50 4.10 0.00 3.99 -4.23 -1.24 -0.34 115.64 118.41 1b8q s THR 99 Ca 0.27 -2.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 1b8q s THR 99 Cb -0.16 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1b8q s THR 99 CO 0.12 -0.87 0.00 1.57 -0.54 0.00 0.00 174.62 174.90 1b8q n HIS 100 N 3.94 -3.06 -5.01 3.99 -0.00 -0.82 -4.76 115.22 109.51 1b8q n HIS 100 Ca 0.05 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.94 1b8q n HIS 100 Cb 0.40 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.11 1b8q n HIS 100 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1b8q s LEU 101 N 0.00 1.95 -0.21 0.27 0.05 -1.26 -3.32 118.68 116.16 1b8q s LEU 101 Ca 0.00 -0.46 -0.33 0.00 0.05 0.00 0.00 54.13 53.39 1b8q s LEU 101 Cb 0.00 -1.20 0.15 0.00 -2.05 0.00 0.00 46.19 43.09 1b8q s LEU 101 CO 0.00 0.13 1.22 -0.70 -0.55 0.00 0.00 176.35 176.45 1b8q s GLU 102 N 0.35 0.28 0.06 1.48 2.56 0.29 -4.89 118.70 118.83 1b8q s GLU 102 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.97 54.77 1b8q s GLU 102 Cb -0.16 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.10 1b8q s GLU 102 CO 0.06 -0.11 0.00 -2.37 -0.56 0.00 0.00 175.26 172.28 1b8q n THR 103 N 0.15 0.00 -3.74 -1.70 5.66 -1.25 -3.84 114.28 109.55 1b8q n THR 103 Ca -0.01 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 1b8q n THR 103 Cb 0.58 -0.08 -0.12 0.00 -1.55 0.00 0.00 70.33 69.16 1b8q n THR 103 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1b8q s THR 104 N -1.26 -0.02 1.09 1.09 -4.23 -1.26 -4.23 115.64 106.82 1b8q s THR 104 Ca 0.00 0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 1b8q s THR 104 Cb 0.00 -0.45 0.28 0.00 1.34 0.00 0.00 72.50 73.67 1b8q s THR 104 CO 0.00 0.03 0.66 2.22 -0.54 0.00 0.00 174.62 176.99 1b8q n PHE 105 N 3.73 -3.38 0.00 3.99 -1.74 -1.26 -4.71 117.46 114.09 1b8q n PHE 105 Ca -0.20 -0.62 0.00 0.00 -0.56 0.00 0.00 57.45 56.07 1b8q n PHE 105 Cb 0.55 -0.93 0.00 0.00 1.52 0.00 0.00 39.48 40.62 1b8q n PHE 105 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1b8q n THR 106 N -5.08 0.00 -2.65 1.97 5.66 -1.26 -4.92 114.28 108.00 1b8q n THR 106 Ca 0.10 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.67 1b8q n THR 106 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1b8q n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1b8q n GLY 107 N -1.10 4.35 3.49 1.09 0.00 -1.26 -4.54 105.19 107.22 1b8q n GLY 107 Ca 0.00 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.64 1b8q n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8q n ASP 108 N 4.07 -5.37 -2.82 1.61 8.00 -1.26 -3.45 116.55 117.33 1b8q n ASP 108 Ca 0.36 -0.54 -0.07 0.00 0.71 0.00 0.00 54.79 55.26 1b8q n ASP 108 Cb 0.38 -4.90 0.03 0.00 -0.02 0.00 0.00 41.12 36.61 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8q n GLY 109 N -1.79 -0.85 0.53 0.44 0.00 -1.26 -5.02 105.19 97.24 1b8q n GLY 109 Ca -0.05 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 1b8q n GLY 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b8q n THR 110 N -2.36 1.07 -0.15 2.61 -1.04 -1.22 -4.68 114.28 108.51 1b8q n THR 110 Ca -0.03 0.27 0.20 0.00 -2.04 0.00 0.00 64.05 62.44 1b8q n THR 110 Cb 0.56 -1.83 0.58 0.00 -1.82 0.00 0.00 70.33 67.82 1b8q n THR 110 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1b8q h PRO 111 N -0.41 0.24 -2.79 -2.82 0.11 -1.89 -3.39 132.00 121.05 1b8q h PRO 111 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1b8q h PRO 111 Cb 0.41 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1b8q h PRO 111 CO 0.00 0.16 -0.66 1.17 -0.21 0.00 0.00 178.00 178.46 1b8q n LYS 112 N -4.43 -3.54 0.03 1.05 3.00 -1.26 -4.66 118.16 108.36 1b8q n LYS 112 Ca 0.15 2.57 -0.00 0.00 -0.00 0.00 0.00 58.31 61.03 1b8q n LYS 112 Cb 0.66 -2.84 0.30 0.00 0.00 0.00 0.00 35.03 33.15 1b8q n LYS 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1b8q h THR 113 N 1.91 1.21 -3.50 3.15 2.02 -1.74 -3.35 112.91 112.61 1b8q h THR 113 Ca 0.00 -0.88 -0.76 0.00 0.77 0.00 0.00 66.41 65.54 1b8q h THR 113 Cb 0.00 1.08 -0.27 0.00 -1.74 0.00 0.00 68.15 67.22 1b8q h THR 113 CO 0.00 0.29 -0.14 -0.51 0.37 0.00 0.00 175.52 175.53 1b8q s ILE 114 N -4.82 4.98 -0.34 3.11 -1.16 -1.26 -0.54 121.20 121.16 1b8q s ILE 114 Ca -0.07 -2.17 0.04 0.00 -0.51 0.00 0.00 60.65 57.94 1b8q s ILE 114 Cb 0.15 -4.16 0.17 0.00 0.61 0.00 0.00 42.46 39.23 1b8q s ILE 114 CO 0.76 -0.92 0.47 -0.60 -2.81 0.00 0.00 174.94 171.84 1b8q s ARG 115 N 0.71 0.59 -0.45 3.50 3.00 -1.21 -4.89 118.95 120.20 1b8q s ARG 115 Ca 0.12 -0.22 0.07 0.00 -1.00 0.00 0.00 55.73 54.69 1b8q s ARG 115 Cb -0.20 -0.28 0.28 0.00 0.00 0.00 0.00 34.95 34.76 1b8q s ARG 115 CO -0.04 -1.12 0.91 0.28 0.00 0.00 0.00 175.30 175.33 1b8q n VAL 116 N 4.80 -0.10 -2.54 7.11 0.31 -1.22 -4.58 118.33 122.11 1b8q n VAL 116 Ca 0.07 -2.12 -0.42 0.00 -0.01 0.00 0.00 64.34 61.86 1b8q n VAL 116 Cb 0.50 0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 34.32 1b8q n VAL 116 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1b8q s THR 117 N -0.00 3.97 -0.10 2.52 2.01 -1.23 -1.94 115.64 120.87 1b8q s THR 117 Ca 0.30 0.86 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1b8q s THR 117 Cb 0.26 -4.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1b8q s THR 117 CO -0.14 -1.30 -0.14 0.00 -0.69 0.00 0.00 174.62 172.34 1b8q s GLN 118 N 5.06 3.08 0.34 4.92 -2.07 0.53 -4.85 119.66 126.67 1b8q s GLN 118 Ca 0.45 -0.70 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 1b8q s GLN 118 Cb -0.08 -2.53 -0.10 0.00 -1.09 0.00 0.00 33.01 29.20 1b8q s GLN 118 CO 0.25 0.35 1.33 -1.25 -1.32 0.00 0.00 175.29 174.66 1b8q s PRO 119 N -0.01 4.32 -0.02 9.60 0.04 -1.26 0.71 135.00 148.37 1b8q s PRO 119 Ca -0.04 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 1b8q s PRO 119 Cb -0.14 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 1b8q s PRO 119 CO 0.04 -0.24 -0.03 -0.07 0.04 0.00 0.00 177.00 176.74 1b8q h LEU 120 N 3.33 0.00 0.00 -3.56 3.38 -1.71 -3.46 115.31 113.29 1b8q h LEU 120 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1b8q h LEU 120 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1b8q h LEU 120 CO 0.65 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1b8q n GLY 121 N 1.73 2.05 3.50 0.83 0.00 -1.26 -5.04 105.19 107.00 1b8q n GLY 121 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1b8q n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1b8q s PRO 122 N 0.00 -1.15 0.00 1.61 0.02 -1.26 -5.05 135.00 129.16 1b8q s PRO 122 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 61.00 61.54 1b8q s PRO 122 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.97 1b8q s PRO 122 CO 0.00 -3.80 0.00 -0.35 -0.33 0.00 0.00 177.00 172.52 1b8q n PRO 123 N -4.92 0.27 -0.15 5.54 -0.04 -1.26 -4.95 135.00 129.49 1b8q n PRO 123 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1b8q n PRO 123 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 1b8q n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b8q h THR 124 N -0.71 0.74 -0.00 0.52 1.03 -2.05 -3.41 112.91 109.03 1b8q h THR 124 Ca 0.00 -0.08 -0.06 0.00 -0.01 0.00 0.00 66.41 66.26 1b8q h THR 124 Cb 0.00 0.48 -0.13 0.00 -1.07 0.00 0.00 68.15 67.43 1b8q h THR 124 CO 0.00 0.04 -0.02 0.29 -0.01 0.00 0.00 175.52 175.82 1b8q n LYS 125 N -5.10 0.08 0.17 0.00 5.02 -1.26 -5.00 118.16 112.08 1b8q n LYS 125 Ca 0.05 -0.64 0.13 0.00 -2.02 0.00 0.00 58.31 55.83 1b8q n LYS 125 Cb 0.23 -0.14 0.61 0.00 -0.02 0.00 0.00 35.03 35.71 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8q h ALA 126 N 3.15 1.00 0.00 7.82 0.00 -1.98 -3.56 119.26 125.70 1b8q h ALA 126 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1b8q h ALA 126 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1b8q h ALA 126 CO -0.22 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.36