#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q s SER 2 N 0.00 -0.07 0.52 1.61 0.15 -1.26 -4.89 113.70 109.76 1b8q s SER 2 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1b8q s SER 2 Cb 0.00 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1b8q s SER 2 CO 0.00 -0.24 0.03 1.41 1.20 0.00 0.00 173.24 175.64 1b8q n HIS 3 N 5.38 1.09 -3.01 3.44 -0.00 -1.26 -5.06 115.22 115.80 1b8q n HIS 3 Ca -0.08 -2.55 0.00 0.00 -0.00 0.00 0.00 57.72 55.10 1b8q n HIS 3 Cb 0.50 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1b8q n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1b8q n MET 4 N -1.33 3.56 -2.05 -0.41 0.00 -1.26 -4.68 117.12 110.95 1b8q n MET 4 Ca -0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.20 1b8q n MET 4 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.89 1b8q n MET 4 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1b8q s ILE 5 N 0.86 4.43 0.03 1.12 -0.00 -1.26 -4.36 121.20 122.02 1b8q s ILE 5 Ca 0.00 0.61 0.07 0.00 -0.00 0.00 0.00 60.65 61.33 1b8q s ILE 5 Cb 0.00 -3.76 -0.03 0.00 -0.00 0.00 0.00 42.46 38.67 1b8q s ILE 5 CO 0.00 -0.94 -0.18 -1.83 -0.00 0.00 0.00 174.94 171.99 1b8q s GLU 6 N -5.12 2.13 0.22 0.37 -1.05 -1.26 -5.10 118.70 108.89 1b8q s GLU 6 Ca 0.54 -0.94 -0.32 0.00 -0.15 0.00 0.00 54.97 54.11 1b8q s GLU 6 Cb -0.11 -2.21 -0.14 0.00 -0.44 0.00 0.00 34.13 31.22 1b8q s GLU 6 CO 0.51 0.55 1.26 -0.35 0.95 0.00 0.00 175.26 178.18 1b8q n PRO 7 N 1.66 1.58 -3.42 -4.83 -0.04 -1.26 -4.98 135.00 123.70 1b8q n PRO 7 Ca -0.16 0.56 -0.27 0.00 -0.04 0.00 0.00 63.50 63.59 1b8q n PRO 7 Cb 0.52 -2.12 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 1b8q n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1b8q s ASN 8 N 0.07 2.23 -1.06 3.54 0.01 0.16 -4.37 114.94 115.52 1b8q s ASN 8 Ca 0.69 -2.44 -0.20 0.00 -0.71 0.00 0.00 52.86 50.21 1b8q s ASN 8 Cb -0.74 -0.31 0.10 0.00 0.41 0.00 0.00 41.25 40.71 1b8q s ASN 8 CO 0.52 -0.25 1.39 0.54 -1.51 0.00 0.00 177.10 177.78 1b8q s VAL 9 N 0.75 4.36 0.00 1.60 0.11 -1.15 -2.32 120.40 123.75 1b8q s VAL 9 Ca 0.23 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1b8q s VAL 9 Cb -0.13 -4.97 0.00 0.00 -1.53 0.00 0.00 36.38 29.75 1b8q s VAL 9 CO -0.06 -1.77 0.00 0.00 -3.33 0.00 0.00 175.10 169.93 1b8q n ILE 10 N 6.07 0.00 -3.26 7.04 0.13 0.20 -4.49 119.36 125.05 1b8q n ILE 10 Ca 0.33 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.78 1b8q n ILE 10 Cb 0.49 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.30 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1b8q s SER 11 N -0.40 5.21 0.33 9.51 0.01 -1.26 0.43 113.70 127.53 1b8q s SER 11 Ca 0.00 -0.73 -0.18 0.00 1.31 0.00 0.00 55.95 56.35 1b8q s SER 11 Cb 0.00 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.07 1b8q s SER 11 CO 0.00 -0.96 0.80 0.68 0.41 0.00 0.00 173.24 174.17 1b8q s VAL 12 N -2.53 0.00 -0.13 3.43 -7.23 0.38 -4.73 120.40 109.59 1b8q s VAL 12 Ca 0.53 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.61 1b8q s VAL 12 Cb -0.06 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.32 1b8q s VAL 12 CO 0.32 0.00 0.37 -0.60 -0.31 0.00 0.00 175.10 174.88 1b8q s ARG 13 N -2.80 0.46 -0.01 4.82 3.52 -1.26 0.33 118.95 124.01 1b8q s ARG 13 Ca 0.14 0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1b8q s ARG 13 Cb -0.05 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1b8q s ARG 13 CO 0.09 -0.07 0.04 -0.51 -0.81 0.00 0.00 175.30 174.05 1b8q s LEU 14 N 0.06 1.85 0.12 -0.88 1.02 0.84 -4.93 118.68 116.76 1b8q s LEU 14 Ca -0.01 0.04 -0.16 0.00 0.02 0.00 0.00 54.13 54.03 1b8q s LEU 14 Cb -0.03 0.17 -0.07 0.00 0.02 0.00 0.00 46.19 46.28 1b8q s LEU 14 CO 0.01 -0.04 0.55 0.12 0.02 0.00 0.00 176.35 177.01 1b8q s PHE 15 N -0.11 3.67 -0.10 0.29 2.19 -1.26 0.13 117.98 122.78 1b8q s PHE 15 Ca -0.01 1.12 0.00 0.00 0.33 0.00 0.00 56.93 58.37 1b8q s PHE 15 Cb -0.01 -2.41 0.11 0.00 -1.31 0.00 0.00 43.02 39.40 1b8q s PHE 15 CO 0.00 0.48 1.47 1.63 1.83 0.00 0.00 175.22 180.63 1b8q n LYS 16 N 1.09 1.25 -3.13 10.12 4.01 -1.06 -3.77 118.16 126.66 1b8q n LYS 16 Ca -0.07 -0.56 -0.16 0.00 -0.51 0.00 0.00 58.31 57.01 1b8q n LYS 16 Cb 0.52 -1.22 -0.03 0.00 -0.51 0.00 0.00 35.03 33.79 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1b8q n ARG 17 N 0.51 -2.03 -1.84 1.97 5.12 -1.25 0.12 116.66 119.26 1b8q n ARG 17 Ca 0.11 0.05 -0.04 0.00 -1.93 0.00 0.00 57.85 56.04 1b8q n ARG 17 Cb 0.65 -4.27 -0.01 0.00 -1.16 0.00 0.00 32.46 27.67 1b8q n ARG 17 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1b8q n LYS 18 N -2.91 -1.95 -1.18 5.56 0.00 -1.26 -4.48 118.16 111.94 1b8q n LYS 18 Ca 0.04 0.24 -0.05 0.00 -0.00 0.00 0.00 58.31 58.55 1b8q n LYS 18 Cb 0.45 -4.56 -0.03 0.00 -0.00 0.00 0.00 35.03 30.89 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 -2.10 0.00 -3.66 0.58 0.24 0.97 -4.33 118.33 110.03 1b8q n VAL 19 Ca -0.05 -0.15 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 1b8q n VAL 19 Cb 0.35 0.49 0.04 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.23 -0.64 2.19 7.63 0.00 0.32 -4.95 105.19 109.51 1b8q n GLY 20 Ca -0.20 0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.61 3.16 0.34 -0.02 0.00 -0.55 -4.95 105.19 101.56 1b8q n GLY 21 Ca -0.20 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1b8q n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b8q h LEU 22 N 3.61 0.00 0.00 0.99 4.07 -1.79 -3.34 115.31 118.86 1b8q h LEU 22 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1b8q h LEU 22 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1b8q h LEU 22 CO 0.48 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 1b8q n GLY 23 N -1.30 1.02 3.62 0.83 0.00 -1.26 -0.57 105.19 107.53 1b8q n GLY 23 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 0.90 1.61 -0.71 -1.26 -0.94 117.98 114.81 1b8q s PHE 24 Ca 0.00 1.87 -0.14 0.00 -1.04 0.00 0.00 56.93 57.62 1b8q s PHE 24 Cb 0.00 0.27 0.15 0.00 -1.21 0.00 0.00 43.02 42.23 1b8q s PHE 24 CO 0.00 -0.39 1.23 -0.51 -1.34 0.00 0.00 175.22 174.22 1b8q s LEU 25 N 0.30 2.44 0.12 -1.99 1.43 0.30 -4.80 118.68 116.48 1b8q s LEU 25 Ca -0.01 0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 53.51 1b8q s LEU 25 Cb -0.05 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.38 1b8q s LEU 25 CO 0.01 -2.44 0.41 0.68 0.23 0.00 0.00 176.35 175.24 1b8q s VAL 26 N -3.65 0.07 -0.35 -1.59 -7.23 -1.26 -2.24 120.40 104.15 1b8q s VAL 26 Ca 0.68 -0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1b8q s VAL 26 Cb -0.08 -1.14 0.12 0.00 0.56 0.00 0.00 36.38 35.83 1b8q s VAL 26 CO 0.52 -0.30 0.16 -0.54 -0.31 0.00 0.00 175.10 174.63 1b8q s LYS 27 N -3.66 0.74 0.41 4.82 1.02 0.34 -4.75 119.74 118.66 1b8q s LYS 27 Ca 0.02 -1.27 -0.19 0.00 0.02 0.00 0.00 55.97 54.54 1b8q s LYS 27 Cb 0.02 -1.80 -0.10 0.00 -0.52 0.00 0.00 37.83 35.42 1b8q s LYS 27 CO -0.11 -1.08 0.90 -2.00 -0.92 0.00 0.00 175.35 172.14 1b8q s GLU 28 N 1.27 4.17 0.03 1.68 -6.30 -1.26 -2.04 118.70 116.24 1b8q s GLU 28 Ca 0.13 1.01 -0.30 0.00 -2.50 0.00 0.00 54.97 53.31 1b8q s GLU 28 Cb -0.20 -2.23 -0.04 0.00 0.00 0.00 0.00 34.13 31.66 1b8q s GLU 28 CO -0.15 0.00 1.01 -0.98 0.02 0.00 0.00 175.26 175.16 1b8q s ARG 29 N -3.18 4.56 0.42 4.30 1.04 -1.26 -4.82 118.95 120.02 1b8q s ARG 29 Ca 0.60 1.48 0.17 0.00 -1.04 0.00 0.00 55.73 56.94 1b8q s ARG 29 Cb -0.09 -3.43 1.07 0.00 -2.04 0.00 0.00 34.95 30.46 1b8q s ARG 29 CO 0.15 -0.04 1.88 -0.24 -0.04 0.00 0.00 175.30 177.01 1b8q h VAL 30 N 4.62 0.73 0.00 4.99 3.04 -1.90 -3.30 116.25 124.43 1b8q h VAL 30 Ca -0.41 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1b8q h VAL 30 Cb 1.22 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1b8q h VAL 30 CO 0.75 0.07 0.00 -1.20 -1.01 0.00 0.00 177.57 176.19 1b8q n SER 31 N -4.49 0.00 0.06 3.17 7.64 -1.26 -4.43 113.62 114.31 1b8q n SER 31 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1b8q n SER 31 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1b8q n SER 31 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b8q n LYS 32 N 0.00 0.00 -0.32 1.43 4.76 -1.26 -5.11 118.16 117.65 1b8q n LYS 32 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1b8q n LYS 32 Cb 0.00 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.32 1b8q n LYS 32 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1b8q n PRO 33 N -2.76 -2.71 -3.92 1.97 -0.04 -1.26 -5.04 135.00 121.24 1b8q n PRO 33 Ca 0.00 -0.79 -0.26 0.00 -0.04 0.00 0.00 63.50 62.41 1b8q n PRO 33 Cb 0.00 -0.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1b8q n PRO 33 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1b8q s PRO 34 N -4.12 3.45 0.25 0.54 0.04 -1.26 -4.47 135.00 129.42 1b8q s PRO 34 Ca 0.34 -0.57 -0.30 0.00 0.04 0.00 0.00 61.00 60.52 1b8q s PRO 34 Cb -0.05 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1b8q s PRO 34 CO 0.27 0.51 0.95 0.08 0.04 0.00 0.00 177.00 178.85 1b8q s VAL 35 N -1.75 4.04 0.34 -0.36 1.01 -1.25 -4.41 120.40 118.02 1b8q s VAL 35 Ca 0.35 2.02 -0.14 0.00 0.00 0.00 0.00 61.98 64.21 1b8q s VAL 35 Cb -0.11 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.03 1b8q s VAL 35 CO 0.29 0.46 0.68 -0.51 0.00 0.00 0.00 175.10 176.01 1b8q s ILE 36 N -1.22 0.00 0.28 2.22 1.10 -0.87 -4.60 121.20 118.12 1b8q s ILE 36 Ca 0.42 -1.17 -0.10 0.00 -0.51 0.00 0.00 60.65 59.29 1b8q s ILE 36 Cb -0.26 -2.57 -0.07 0.00 0.15 0.00 0.00 42.46 39.71 1b8q s ILE 36 CO 0.32 0.00 0.62 -0.63 -2.11 0.00 0.00 174.94 173.14 1b8q s ILE 37 N -2.99 4.86 -0.04 2.00 1.01 -1.26 0.13 121.20 124.91 1b8q s ILE 37 Ca 0.18 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1b8q s ILE 37 Cb -0.04 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1b8q s ILE 37 CO 0.12 -0.19 -0.02 -0.24 0.00 0.00 0.00 174.94 174.61 1b8q n SER 38 N -0.44 3.84 -3.64 3.58 2.88 -0.95 -2.65 113.62 116.24 1b8q n SER 38 Ca 0.01 -0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1b8q n SER 38 Cb 0.53 0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 64.08 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 -4.07 -0.07 -1.11 -3.46 2.15 -1.26 -4.66 116.67 104.18 1b8q s ASP 39 Ca -0.04 0.12 -0.22 0.00 0.43 0.00 0.00 52.55 52.84 1b8q s ASP 39 Cb 0.01 0.12 0.01 0.00 -0.30 0.00 0.00 42.92 42.77 1b8q s ASP 39 CO 0.11 -0.04 1.72 -0.76 -0.17 0.00 0.00 175.17 176.03 1b8q s LEU 40 N -0.28 3.46 0.16 -1.34 1.43 -1.26 0.11 118.68 120.97 1b8q s LEU 40 Ca 0.07 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.23 1b8q s LEU 40 Cb -0.04 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1b8q s LEU 40 CO -0.13 -1.92 1.54 -0.29 0.23 0.00 0.00 176.35 175.79 1b8q h ILE 41 N 6.40 0.00 0.00 -0.59 6.09 -1.35 -3.36 117.51 124.71 1b8q h ILE 41 Ca 0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1b8q h ILE 41 Cb 0.95 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1b8q h ILE 41 CO 1.36 0.00 -0.21 0.54 -3.07 0.00 0.00 178.15 176.77 1b8q n ARG 42 N -5.28 0.14 0.00 2.19 5.12 -1.21 -4.99 116.66 112.63 1b8q n ARG 42 Ca 0.02 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1b8q n ARG 42 Cb 0.28 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 1b8q n ARG 42 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b8q n GLY 43 N 1.61 1.59 0.00 -0.13 0.00 -1.26 -5.01 105.19 101.99 1b8q n GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.94 0.00 0.00 -0.02 0.00 -1.26 -4.09 105.19 98.87 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 -1.72 0.00 0.46 4.61 0.00 -1.26 -4.10 120.51 118.50 1b8q n ALA 45 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1b8q n ALA 45 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.16 -0.77 0.00 0.00 -1.12 -2.21 119.26 112.00 1b8q h ALA 46 Ca 0.00 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1b8q h ALA 46 Cb 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1b8q h ALA 46 CO 0.00 -1.13 0.06 1.49 0.00 0.00 0.00 179.25 179.67 1b8q h GLU 47 N -1.21 0.13 -0.87 0.00 4.81 -1.81 0.88 114.58 116.51 1b8q h GLU 47 Ca -0.12 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1b8q h GLU 47 Cb 0.89 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 1b8q h GLU 47 CO 0.19 0.09 0.56 0.37 -0.73 0.00 0.00 179.01 179.49 1b8q h GLN 48 N 0.13 0.73 -0.52 1.92 5.75 -1.67 0.41 115.11 121.86 1b8q h GLN 48 Ca 0.44 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.97 1b8q h GLN 48 Cb 0.79 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 1b8q h GLN 48 CO -0.65 0.48 0.16 1.03 -2.65 0.00 0.00 178.83 177.20 1b8q h SER 49 N 0.75 0.12 0.00 -0.69 0.87 0.14 -3.47 113.55 111.28 1b8q h SER 49 Ca 0.42 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1b8q h SER 49 Cb 0.57 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1b8q h SER 49 CO -0.18 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.82 1b8q n GLY 50 N -1.28 2.61 0.79 5.77 0.00 0.13 -4.89 105.19 108.33 1b8q n GLY 50 Ca 0.06 0.00 0.10 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 2.68 -4.28 0.99 -0.00 -1.26 -2.73 117.00 112.39 1b8q n LEU 51 Ca 0.00 -1.10 -0.45 0.00 -0.00 0.00 0.00 56.01 54.47 1b8q n LEU 51 Cb 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.33 1b8q n LEU 51 CO 0.00 0.49 0.19 -0.63 -0.00 0.00 0.00 177.39 177.44 1b8q s ILE 52 N -1.53 5.04 0.09 1.47 1.09 -1.26 -4.81 121.20 121.29 1b8q s ILE 52 Ca 0.24 -1.95 0.09 0.00 -1.10 0.00 0.00 60.65 57.93 1b8q s ILE 52 Cb 0.16 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 1b8q s ILE 52 CO 0.24 -0.90 -0.23 -1.10 -0.10 0.00 0.00 174.94 172.85 1b8q s GLN 53 N 1.00 1.73 0.32 2.79 1.11 -1.26 -4.09 119.66 121.25 1b8q s GLN 53 Ca 0.09 -1.17 -0.29 0.00 0.01 0.00 0.00 55.36 54.00 1b8q s GLN 53 Cb -0.23 -2.03 -0.10 0.00 -1.01 0.00 0.00 33.01 29.64 1b8q s GLN 53 CO -0.02 0.49 1.20 0.00 0.01 0.00 0.00 175.29 176.98 1b8q s ALA 54 N -0.99 3.43 0.00 6.09 0.00 -1.26 -2.47 121.76 126.55 1b8q s ALA 54 Ca 0.15 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1b8q s ALA 54 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1b8q s ALA 54 CO 0.06 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1b8q n GLY 55 N 0.95 0.69 0.00 0.00 0.00 -1.08 -4.94 105.19 100.80 1b8q n GLY 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.04 0.00 -3.55 1.61 9.92 -1.03 -4.96 116.55 118.50 1b8q n ASP 56 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1b8q n ASP 56 Cb 0.02 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.45 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 0.03 -0.61 -0.45 0.53 -1.16 -1.26 -4.90 121.20 113.38 1b8q s ILE 57 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 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 0.34 -0.51 -2.81 0.00 0.00 174.94 171.96 1b8q s ILE 58 N 2.45 0.77 -0.02 2.00 1.10 -1.26 -4.90 121.20 121.34 1b8q s ILE 58 Ca -0.05 -2.78 -0.01 0.00 -0.51 0.00 0.00 60.65 57.30 1b8q s ILE 58 Cb -0.08 -1.54 -0.00 0.00 0.15 0.00 0.00 42.46 40.99 1b8q s ILE 58 CO -0.18 -1.15 0.11 0.25 -2.11 0.00 0.00 174.94 171.86 1b8q h LEU 59 N 5.84 -0.03 -9.09 8.50 5.85 -1.84 -3.38 115.31 121.17 1b8q h LEU 59 Ca 0.21 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.25 1b8q h LEU 59 Cb 0.89 0.01 -0.19 0.00 0.37 0.00 0.00 40.66 41.74 1b8q h LEU 59 CO 0.42 0.08 -0.78 0.00 -0.34 0.00 0.00 178.44 177.82 1b8q s ALA 60 N -2.98 2.75 -0.01 1.25 0.00 -1.03 -3.40 121.76 118.34 1b8q s ALA 60 Ca -0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1b8q s ALA 60 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1b8q s ALA 60 CO 0.01 0.60 0.05 0.08 0.00 0.00 0.00 175.76 176.50 1b8q s VAL 61 N -1.06 0.04 -1.73 0.00 1.01 -1.24 -1.89 120.40 115.53 1b8q s VAL 61 Ca 0.17 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1b8q s VAL 61 Cb -0.11 -0.19 0.17 0.00 0.00 0.00 0.00 36.38 36.25 1b8q s VAL 61 CO 0.09 -0.20 0.70 -0.46 0.00 0.00 0.00 175.10 175.23 1b8q n ASN 62 N 2.41 -2.68 -2.18 3.32 0.23 0.30 0.11 115.26 116.77 1b8q n ASN 62 Ca -0.17 -1.08 -0.14 0.00 -0.53 0.00 0.00 54.58 52.66 1b8q n ASN 62 Cb 0.58 -2.44 -0.02 0.00 -2.08 0.00 0.00 39.78 35.81 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 -2.63 -4.17 -4.06 0.53 2.03 -1.25 -4.91 116.55 102.09 1b8q n ASP 63 Ca 0.06 0.20 -0.34 0.00 0.52 0.00 0.00 54.79 55.22 1b8q n ASP 63 Cb 0.50 -3.60 -0.11 0.00 -0.72 0.00 0.00 41.12 37.19 1b8q n ASP 63 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1b8q s ARG 64 N -4.58 2.22 -0.81 -0.67 6.06 0.30 -5.03 118.95 116.43 1b8q s ARG 64 Ca 0.00 -2.35 -0.10 0.00 -2.50 0.00 0.00 55.73 50.78 1b8q s ARG 64 Cb 0.00 -3.56 -0.25 0.00 0.06 0.00 0.00 34.95 31.20 1b8q s ARG 64 CO 0.00 -1.12 1.99 -2.30 -2.50 0.00 0.00 175.30 171.37 1b8q n PRO 65 N 3.70 0.07 -2.55 5.12 -0.02 -1.26 -3.59 135.00 136.46 1b8q n PRO 65 Ca 0.05 -0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 1b8q n PRO 65 Cb 0.38 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 1b8q n PRO 65 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1b8q n LEU 66 N 7.44 6.49 0.06 2.45 7.94 -1.22 -4.57 117.00 135.58 1b8q n LEU 66 Ca 0.53 -4.77 0.00 0.00 -1.11 0.00 0.00 56.01 50.66 1b8q n LEU 66 Cb 0.25 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1b8q n LEU 66 CO 0.91 1.41 -0.04 1.33 -1.11 0.00 0.00 177.39 179.90 1b8q n VAL 67 N 2.93 0.96 -2.08 1.96 0.24 -1.26 -4.54 118.33 116.54 1b8q n VAL 67 Ca 0.36 0.32 0.03 0.00 -2.04 0.00 0.00 64.34 63.01 1b8q n VAL 67 Cb 0.36 -1.42 0.04 0.00 -1.47 0.00 0.00 33.84 31.35 1b8q n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1b8q n ASP 68 N -3.45 0.74 -2.88 -1.34 8.00 -1.26 -3.80 116.55 112.57 1b8q n ASP 68 Ca 0.00 -2.25 -0.08 0.00 0.71 0.00 0.00 54.79 53.17 1b8q n ASP 68 Cb 0.04 -0.29 0.04 0.00 -0.02 0.00 0.00 41.12 40.89 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8q n LEU 69 N -0.03 0.00 -4.67 0.64 -0.00 -1.26 -4.88 117.00 106.80 1b8q n LEU 69 Ca 0.05 -0.73 -0.42 0.00 -0.00 0.00 0.00 56.01 54.91 1b8q n LEU 69 Cb 0.87 -0.21 -0.03 0.00 -0.00 0.00 0.00 43.42 44.06 1b8q n LEU 69 CO -0.02 -0.65 1.21 -0.44 -0.00 0.00 0.00 177.39 177.49 1b8q s SER 70 N -2.35 6.79 0.01 1.45 0.01 -1.26 -4.62 113.70 113.72 1b8q s SER 70 Ca 0.22 2.12 -0.03 0.00 1.31 0.00 0.00 55.95 59.57 1b8q s SER 70 Cb -0.01 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1b8q s SER 70 CO 0.15 -0.81 1.04 0.22 0.41 0.00 0.00 173.24 174.25 1b8q h TYR 71 N 8.48 -0.11 -0.60 2.43 5.03 -1.77 0.81 116.97 131.24 1b8q h TYR 71 Ca -0.37 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.12 1b8q h TYR 71 Cb 1.17 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.47 1b8q h TYR 71 CO 0.81 -0.04 0.56 0.22 -1.32 0.00 0.00 178.16 178.38 1b8q h ASP 72 N -0.05 0.00 0.03 -2.11 3.58 -1.93 0.19 116.42 116.14 1b8q h ASP 72 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1b8q h ASP 72 Cb 0.05 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.12 1b8q h ASP 72 CO -0.02 0.00 -0.66 -1.28 -2.88 0.00 0.00 179.24 174.39 1b8q h SER 73 N 0.00 0.53 -0.96 2.28 0.87 -1.63 -1.64 113.55 113.01 1b8q h SER 73 Ca 0.28 -0.80 0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1b8q h SER 73 Cb 1.40 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.14 1b8q h SER 73 CO -0.00 1.27 0.63 0.00 -0.53 0.00 0.00 176.83 178.20 1b8q h ALA 74 N 0.27 1.36 -0.08 6.23 0.00 0.36 0.00 119.26 127.40 1b8q h ALA 74 Ca -0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1b8q h ALA 74 Cb 1.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1b8q h ALA 74 CO 0.13 0.56 -0.68 -0.07 0.00 0.00 0.00 179.25 179.19 1b8q h LEU 75 N 1.23 0.38 -0.39 0.00 3.38 -1.13 -2.68 115.31 116.10 1b8q h LEU 75 Ca 0.37 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1b8q h LEU 75 Cb -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1b8q h LEU 75 CO -0.10 0.95 -0.57 1.05 0.09 0.00 0.00 178.44 179.86 1b8q h GLU 76 N 0.23 0.72 -0.31 1.13 4.11 -0.51 0.48 114.58 120.44 1b8q h GLU 76 Ca -0.02 -0.47 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1b8q h GLU 76 Cb 1.22 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1b8q h GLU 76 CO 0.11 1.09 0.17 0.28 0.07 0.00 0.00 179.01 180.73 1b8q h VAL 77 N 0.55 1.13 0.00 -1.06 2.07 -1.01 -2.05 116.25 115.88 1b8q h VAL 77 Ca 0.01 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1b8q h VAL 77 Cb 1.15 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1b8q h VAL 77 CO 0.12 0.13 -0.32 0.17 0.02 0.00 0.00 177.57 177.69 1b8q h LEU 78 N 0.38 0.00 -1.01 2.57 8.10 -1.40 -3.12 115.31 120.83 1b8q h LEU 78 Ca 0.11 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.06 1b8q h LEU 78 Cb 0.07 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.26 1b8q h LEU 78 CO -0.02 0.32 0.21 0.03 -4.11 0.00 0.00 178.44 174.88 1b8q h ARG 79 N 0.00 0.92 -0.26 0.17 -0.00 0.65 -2.02 114.38 113.84 1b8q h ARG 79 Ca -0.00 -0.17 0.08 0.00 -0.50 0.00 0.00 59.98 59.39 1b8q h ARG 79 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.79 1b8q h ARG 79 CO 0.04 0.78 0.41 0.78 0.00 0.00 0.00 179.97 181.98 1b8q h GLY 80 N 1.01 0.00 -7.20 0.04 0.00 -1.35 -3.40 103.07 92.17 1b8q h GLY 80 Ca 0.21 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.98 1b8q h GLY 80 CO -0.01 0.00 1.55 1.39 0.00 0.00 0.00 176.54 179.46 1b8q n ILE 81 N -3.42 0.16 0.00 2.60 5.41 -0.76 -4.94 119.36 118.41 1b8q n ILE 81 Ca 0.04 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1b8q n ILE 81 Cb 0.54 -2.48 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 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 12.96 0.00 -2.55 -1.39 0.00 -1.26 -4.83 120.51 123.44 1b8q n ALA 82 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 1b8q n ALA 82 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.08 0.02 -2.83 0.00 3.41 -1.26 -4.50 113.62 106.38 1b8q n SER 83 Ca 0.00 -1.01 -0.10 0.00 -0.26 0.00 0.00 58.87 57.50 1b8q n SER 83 Cb 0.00 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.02 -2.63 -4.27 4.33 -0.58 -1.26 -4.88 120.64 110.33 1b8q n GLU 84 Ca 0.00 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 1b8q n GLU 84 Cb 0.01 -4.72 -0.10 0.00 -0.57 0.00 0.00 31.44 26.06 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 -2.35 1.36 0.53 2.62 -1.32 -1.26 -5.03 115.64 110.19 1b8q s THR 85 Ca 0.14 -2.04 0.09 0.00 -1.21 0.00 0.00 61.69 58.67 1b8q s THR 85 Cb -0.08 -1.84 0.06 0.00 -1.51 0.00 0.00 72.50 69.13 1b8q s THR 85 CO 0.17 -0.64 0.69 -1.00 -2.21 0.00 0.00 174.62 171.63 1b8q s HIS 86 N -3.00 1.79 0.08 9.09 3.76 -1.26 -2.57 115.29 123.18 1b8q s HIS 86 Ca 0.17 -0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 54.35 1b8q s HIS 86 Cb 0.00 -2.22 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 1b8q s HIS 86 CO 0.03 -0.89 0.17 0.54 -0.85 0.00 0.00 174.74 173.73 1b8q s VAL 87 N -2.60 0.15 0.26 -0.90 0.11 0.34 -4.78 120.40 112.98 1b8q s VAL 87 Ca 0.57 -1.22 0.12 0.00 -2.93 0.00 0.00 61.98 58.52 1b8q s VAL 87 Cb -0.06 -1.33 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1b8q s VAL 87 CO 0.36 -0.68 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.55 1b8q s VAL 88 N -3.78 2.42 0.18 2.04 1.01 -1.26 -0.11 120.40 120.89 1b8q s VAL 88 Ca 0.04 -2.31 -0.19 0.00 0.00 0.00 0.00 61.98 59.52 1b8q s VAL 88 Cb 0.05 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1b8q s VAL 88 CO -0.10 -0.34 0.53 -1.48 0.00 0.00 0.00 175.10 173.71 1b8q s LEU 89 N -3.31 -0.07 -0.10 3.92 2.34 0.15 0.11 118.68 121.72 1b8q s LEU 89 Ca 0.28 -0.32 0.01 0.00 0.06 0.00 0.00 54.13 54.15 1b8q s LEU 89 Cb -0.06 2.25 0.02 0.00 -0.56 0.00 0.00 46.19 47.85 1b8q s LEU 89 CO 0.13 -1.01 -0.10 -0.63 -1.06 0.00 0.00 176.35 173.68 1b8q s ILE 90 N -3.83 1.16 0.14 1.48 -1.09 -0.79 0.14 121.20 118.41 1b8q s ILE 90 Ca 0.06 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1b8q s ILE 90 Cb -0.01 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1b8q s ILE 90 CO -0.07 0.38 0.28 -0.76 -1.23 0.00 0.00 174.94 173.54 1b8q s LEU 91 N 1.36 4.33 0.28 2.97 1.43 0.17 -2.45 118.68 126.76 1b8q s LEU 91 Ca -0.01 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1b8q s LEU 91 Cb -0.14 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1b8q s LEU 91 CO -0.05 0.06 0.32 0.00 0.23 0.00 0.00 176.35 176.92 1b8q s ARG 92 N -3.11 3.09 0.00 1.70 1.04 -0.98 -0.62 118.95 120.07 1b8q s ARG 92 Ca 0.35 -1.00 0.00 0.00 -1.04 0.00 0.00 55.73 54.05 1b8q s ARG 92 Cb -0.11 -2.71 0.00 0.00 -2.04 0.00 0.00 34.95 30.09 1b8q s ARG 92 CO 0.28 0.28 0.00 0.41 -0.04 0.00 0.00 175.30 176.24 1b8q n GLY 93 N -1.38 2.45 0.00 3.88 0.00 -1.22 0.35 105.19 109.27 1b8q n GLY 93 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8q n PRO 94 N 0.00 1.38 -3.76 1.61 -0.04 -1.26 -4.66 135.00 128.26 1b8q n PRO 94 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1b8q n PRO 94 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1b8q s GLU 95 N -0.31 0.80 0.00 0.54 -1.05 -1.26 -4.71 118.70 112.71 1b8q s GLU 95 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1b8q s GLU 95 Cb 0.00 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1b8q s GLU 95 CO 0.00 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 175.85 1b8q n GLY 96 N 4.93 1.39 2.87 -3.83 0.00 -1.26 -4.93 105.19 104.35 1b8q n GLY 96 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.04 -0.28 1.61 0.40 -1.26 0.50 117.98 116.91 1b8q s PHE 97 Ca 0.00 0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.30 1b8q s PHE 97 Cb 0.00 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 1b8q s PHE 97 CO 0.00 -0.07 0.69 0.95 0.70 0.00 0.00 175.22 177.49 1b8q s THR 98 N 0.55 4.91 -0.71 0.64 -4.23 0.11 -4.69 115.64 112.21 1b8q s THR 98 Ca -0.04 1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 61.46 1b8q s THR 98 Cb -0.06 -4.03 0.19 0.00 1.34 0.00 0.00 72.50 69.94 1b8q s THR 98 CO -0.02 -0.10 0.62 0.28 -0.54 0.00 0.00 174.62 174.86 1b8q s THR 99 N 2.68 5.03 0.00 3.99 -1.32 -1.24 -0.24 115.64 124.54 1b8q s THR 99 Ca 0.28 -2.39 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 1b8q s THR 99 Cb -0.15 -4.16 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 1b8q s THR 99 CO 0.10 -0.95 0.00 1.57 -2.21 0.00 0.00 174.62 173.13 1b8q n HIS 100 N 4.12 -1.12 -4.77 9.09 -0.00 -0.28 -4.67 115.22 117.59 1b8q n HIS 100 Ca 0.07 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.92 1b8q n HIS 100 Cb 0.44 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.23 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 2.19 0.09 0.27 -0.00 -1.26 -3.54 118.68 116.43 1b8q s LEU 101 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 54.13 52.43 1b8q s LEU 101 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 46.19 45.53 1b8q s LEU 101 CO 0.00 -0.92 0.00 1.21 -0.00 0.00 0.00 176.35 176.64 1b8q n GLU 102 N -1.28 -4.83 -3.94 1.48 4.07 0.17 -4.64 120.64 111.68 1b8q n GLU 102 Ca -0.20 3.52 -0.12 0.00 -0.06 0.00 0.00 57.16 60.29 1b8q n GLU 102 Cb 0.67 -4.10 -0.00 0.00 -0.06 0.00 0.00 31.44 27.94 1b8q n GLU 102 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1b8q s THR 103 N -0.51 0.00 -0.21 6.31 -1.32 -0.41 -4.54 115.64 114.96 1b8q s THR 103 Ca 0.00 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1b8q s THR 103 Cb 0.00 -2.84 0.04 0.00 -1.51 0.00 0.00 72.50 68.19 1b8q s THR 103 CO 0.00 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 172.69 1b8q s THR 104 N -2.50 1.96 0.26 5.08 -4.23 -1.26 -4.87 115.64 110.08 1b8q s THR 104 Ca 0.23 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1b8q s THR 104 Cb -0.03 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1b8q s THR 104 CO 0.16 0.23 0.44 0.72 -0.54 0.00 0.00 174.62 175.64 1b8q s PHE 105 N 1.26 3.48 0.00 3.99 -0.12 -1.26 -5.05 117.98 120.28 1b8q s PHE 105 Ca -0.02 0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 1b8q s PHE 105 Cb -0.16 -1.80 0.00 0.00 -0.63 0.00 0.00 43.02 40.43 1b8q s PHE 105 CO -0.09 0.30 0.36 0.25 -0.05 0.00 0.00 175.22 175.99 1b8q n THR 106 N -1.25 0.00 0.00 -4.49 -2.24 -1.26 -5.01 114.28 100.03 1b8q n THR 106 Ca -0.06 0.71 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 1b8q n THR 106 Cb 0.55 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1b8q n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8q n GLY 107 N 0.75 0.41 2.62 3.38 0.00 -1.26 -4.99 105.19 106.10 1b8q n GLY 107 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.05 0.00 1.61 8.00 -1.26 -4.88 116.55 122.08 1b8q n ASP 108 Ca 0.00 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1b8q n ASP 108 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.56 0.05 2.78 0.44 0.00 -1.26 -3.98 105.19 102.65 1b8q n GLY 109 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 3.78 -2.23 2.61 -1.04 -1.26 -4.09 114.28 111.32 1b8q n THR 110 Ca 0.00 -5.63 -0.33 0.00 -2.04 0.00 0.00 64.05 56.05 1b8q n THR 110 Cb 0.00 -1.63 -0.04 0.00 -1.82 0.00 0.00 70.33 66.84 1b8q n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1b8q s PRO 111 N -3.40 2.91 0.35 -2.82 0.04 -1.26 -4.62 135.00 126.19 1b8q s PRO 111 Ca 0.44 -0.47 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 1b8q s PRO 111 Cb 0.22 -5.06 0.01 0.00 0.04 0.00 0.00 34.50 29.70 1b8q s PRO 111 CO -0.09 -2.92 0.53 -1.59 0.04 0.00 0.00 177.00 172.97 1b8q s LYS 112 N 6.33 1.96 -0.14 4.56 0.00 -1.26 -5.07 119.74 126.12 1b8q s LYS 112 Ca 0.61 -1.70 0.11 0.00 0.00 0.00 0.00 55.97 54.99 1b8q s LYS 112 Cb -0.05 0.47 -0.16 0.00 0.00 0.00 0.00 37.83 38.09 1b8q s LYS 112 CO -0.01 -0.83 0.02 2.41 0.00 0.00 0.00 175.35 176.94 1b8q n THR 113 N -0.56 0.95 -3.06 3.79 -1.04 -1.11 -4.55 114.28 108.70 1b8q n THR 113 Ca -0.01 -0.56 -0.44 0.00 -2.04 0.00 0.00 64.05 61.01 1b8q n THR 113 Cb 0.61 -0.69 -0.05 0.00 -1.82 0.00 0.00 70.33 68.38 1b8q n THR 113 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1b8q s ILE 114 N -2.33 4.71 -0.36 12.58 -1.16 -1.26 0.43 121.20 133.81 1b8q s ILE 114 Ca -0.09 -0.75 0.06 0.00 -0.51 0.00 0.00 60.65 59.36 1b8q s ILE 114 Cb 0.04 -4.50 0.19 0.00 0.61 0.00 0.00 42.46 38.80 1b8q s ILE 114 CO 0.54 -1.15 0.64 -0.60 -2.81 0.00 0.00 174.94 171.56 1b8q s ARG 115 N 2.99 0.69 -0.46 3.50 3.00 -1.23 -4.93 118.95 122.51 1b8q s ARG 115 Ca 0.15 0.04 0.07 0.00 -1.00 0.00 0.00 55.73 54.99 1b8q s ARG 115 Cb -0.22 0.15 0.30 0.00 0.00 0.00 0.00 34.95 35.19 1b8q s ARG 115 CO 0.08 -1.09 1.02 0.28 0.00 0.00 0.00 175.30 175.59 1b8q n VAL 116 N 4.77 -0.04 -2.55 7.11 0.31 -1.24 -4.55 118.33 122.14 1b8q n VAL 116 Ca 0.09 -1.84 -0.42 0.00 -0.01 0.00 0.00 64.34 62.15 1b8q n VAL 116 Cb 0.56 1.25 -0.03 0.00 -0.91 0.00 0.00 33.84 34.71 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 0.09 4.46 -0.00 2.52 2.01 -1.23 -1.12 115.64 122.36 1b8q s THR 117 Ca 0.26 1.77 0.02 0.00 0.31 0.00 0.00 61.69 64.05 1b8q s THR 117 Cb 0.28 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1b8q s THR 117 CO -0.10 0.04 -0.07 0.00 -0.69 0.00 0.00 174.62 173.80 1b8q s GLN 118 N 1.84 0.54 -0.21 4.92 -2.07 0.66 -4.88 119.66 120.47 1b8q s GLN 118 Ca 0.53 -0.24 -0.36 0.00 -1.82 0.00 0.00 55.36 53.47 1b8q s GLN 118 Cb -0.23 -0.52 -0.13 0.00 -1.09 0.00 0.00 33.01 31.04 1b8q s GLN 118 CO 0.22 0.14 1.90 -2.30 -1.32 0.00 0.00 175.29 173.94 1b8q n PRO 119 N 2.90 1.62 -0.00 9.60 -0.02 -1.26 0.06 135.00 147.90 1b8q n PRO 119 Ca -0.13 0.57 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1b8q n PRO 119 Cb 0.58 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1b8q n PRO 119 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1b8q n LEU 120 N 6.94 2.41 -3.78 2.45 -0.00 0.18 -4.81 117.00 120.40 1b8q n LEU 120 Ca 0.28 -0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.99 1b8q n LEU 120 Cb 0.23 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.55 1b8q n LEU 120 CO 0.76 0.40 0.11 0.61 -0.00 0.00 0.00 177.39 179.28 1b8q n GLY 121 N 3.40 4.36 3.66 1.47 0.00 -0.30 -4.97 105.19 112.81 1b8q n GLY 121 Ca -0.00 -2.66 -0.43 0.00 0.00 0.00 0.00 46.02 42.93 1b8q n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 122 N 1.61 1.82 -1.00 1.61 -0.02 -1.26 -4.70 135.00 133.06 1b8q n PRO 122 Ca 0.24 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 62.15 1b8q n PRO 122 Cb 0.37 -2.16 0.16 0.00 -0.02 0.00 0.00 33.50 31.85 1b8q n PRO 122 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1b8q n PRO 123 N 0.54 -1.74 -3.80 0.52 -0.04 -1.26 -5.11 135.00 124.11 1b8q n PRO 123 Ca 0.07 -1.31 -0.11 0.00 -0.04 0.00 0.00 63.50 62.10 1b8q n PRO 123 Cb 0.35 -1.05 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1b8q n PRO 123 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b8q s THR 124 N -2.68 0.09 -0.71 0.52 -1.32 -1.26 -5.06 115.64 105.22 1b8q s THR 124 Ca 0.51 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1b8q s THR 124 Cb -0.03 -0.85 0.22 0.00 -1.51 0.00 0.00 72.50 70.33 1b8q s THR 124 CO 0.37 -0.41 2.34 0.29 -2.21 0.00 0.00 174.62 175.00 1b8q n LYS 125 N 0.76 2.80 0.07 7.08 5.02 -1.26 -4.60 118.16 128.03 1b8q n LYS 125 Ca -0.19 -3.09 0.10 0.00 -2.02 0.00 0.00 58.31 53.11 1b8q n LYS 125 Cb 0.58 -2.24 0.42 0.00 -0.02 0.00 0.00 35.03 33.78 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8q n ALA 126 N 0.14 1.76 -1.31 7.82 0.00 -1.26 -5.40 120.51 122.25 1b8q n ALA 126 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1b8q n ALA 126 Cb 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83