#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 6.20 -0.31 1.61 0.15 -1.26 -5.02 113.70 115.08 1b8q s SER 2 Ca 0.00 -1.28 -0.20 0.00 0.70 0.00 0.00 55.95 55.17 1b8q s SER 2 Cb 0.00 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1b8q s SER 2 CO 0.00 -1.26 0.62 -1.00 1.20 0.00 0.00 173.24 172.80 1b8q s HIS 3 N 3.28 3.21 -0.41 3.44 4.02 -1.26 -4.96 115.29 122.61 1b8q s HIS 3 Ca 0.17 0.56 0.08 0.00 1.02 0.00 0.00 55.06 56.89 1b8q s HIS 3 Cb -0.20 -2.98 0.26 0.00 -1.02 0.00 0.00 32.58 28.64 1b8q s HIS 3 CO 0.07 -0.47 0.65 -0.12 1.02 0.00 0.00 174.74 175.88 1b8q n MET 4 N 5.86 0.77 -2.71 1.40 0.00 -1.26 -4.94 117.12 116.25 1b8q n MET 4 Ca -0.01 -2.89 -0.05 0.00 -0.00 0.00 0.00 57.70 54.75 1b8q n MET 4 Cb 0.49 -1.32 0.08 0.00 0.00 0.00 0.00 33.22 32.47 1b8q n MET 4 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1b8q n ILE 5 N 1.27 0.52 -3.53 1.12 3.06 -1.26 -4.64 119.36 115.89 1b8q n ILE 5 Ca 0.18 -2.12 -0.09 0.00 -2.50 0.00 0.00 62.75 58.23 1b8q n ILE 5 Cb 0.57 0.95 -0.03 0.00 0.54 0.00 0.00 39.64 41.68 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1b8q s GLU 6 N -1.51 0.74 0.63 9.51 -1.05 -1.26 -5.04 118.70 120.73 1b8q s GLU 6 Ca 0.22 -0.16 -0.10 0.00 -0.15 0.00 0.00 54.97 54.78 1b8q s GLU 6 Cb 0.41 0.34 0.14 0.00 -0.44 0.00 0.00 34.13 34.59 1b8q s GLU 6 CO -0.05 -0.30 0.86 -0.35 0.95 0.00 0.00 175.26 176.37 1b8q n PRO 7 N 0.06 -0.80 0.00 -4.83 -0.04 -1.26 -4.74 135.00 123.39 1b8q n PRO 7 Ca -0.09 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1b8q n PRO 7 Cb 0.60 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1b8q n PRO 7 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b8q n ASN 8 N -3.53 0.00 -3.15 3.54 4.13 -1.26 -4.98 115.26 110.01 1b8q n ASN 8 Ca 0.11 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.41 1b8q n ASN 8 Cb 0.38 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.61 1b8q n ASN 8 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1b8q s VAL 9 N 0.00 -0.79 0.00 2.41 0.11 -1.20 0.85 120.40 121.78 1b8q s VAL 9 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1b8q s VAL 9 Cb 0.00 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1b8q s VAL 9 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1b8q n ILE 10 N 5.41 0.00 -1.40 7.04 0.13 -0.35 -4.79 119.36 125.40 1b8q n ILE 10 Ca 0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.35 1b8q n ILE 10 Cb 0.53 0.00 0.11 0.00 -0.84 0.00 0.00 39.64 39.43 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1b8q s SER 11 N -0.29 4.16 0.16 9.51 0.15 -1.26 0.65 113.70 126.78 1b8q s SER 11 Ca 0.00 1.43 -0.21 0.00 0.70 0.00 0.00 55.95 57.87 1b8q s SER 11 Cb 0.00 -2.15 0.06 0.00 -1.71 0.00 0.00 66.02 62.22 1b8q s SER 11 CO 0.00 -2.20 0.55 -0.69 1.20 0.00 0.00 173.24 172.11 1b8q s VAL 12 N -3.05 0.02 -0.03 4.45 1.01 0.45 -4.52 120.40 118.73 1b8q s VAL 12 Ca 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1b8q s VAL 12 Cb -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1b8q s VAL 12 CO 0.55 -0.08 0.12 -0.60 0.00 0.00 0.00 175.10 175.09 1b8q s ARG 13 N -3.78 0.27 0.30 2.72 3.52 -1.26 0.79 118.95 121.51 1b8q s ARG 13 Ca 0.02 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 1b8q s ARG 13 Cb -0.01 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.48 1b8q s ARG 13 CO -0.11 -0.05 0.31 -0.51 -0.81 0.00 0.00 175.30 174.12 1b8q s LEU 14 N -0.49 1.37 0.05 -0.88 1.02 0.93 -4.93 118.68 115.75 1b8q s LEU 14 Ca -0.06 -1.57 0.04 0.00 0.02 0.00 0.00 54.13 52.56 1b8q s LEU 14 Cb -0.04 0.81 -0.02 0.00 0.02 0.00 0.00 46.19 46.96 1b8q s LEU 14 CO 0.01 -1.08 -0.12 0.12 0.02 0.00 0.00 176.35 175.29 1b8q s PHE 15 N -3.52 1.05 -0.07 0.29 2.19 -1.26 0.15 117.98 116.81 1b8q s PHE 15 Ca 0.37 -0.42 0.00 0.00 0.33 0.00 0.00 56.93 57.21 1b8q s PHE 15 Cb 0.02 -0.61 0.07 0.00 -1.31 0.00 0.00 43.02 41.20 1b8q s PHE 15 CO 0.22 0.01 1.49 1.63 1.83 0.00 0.00 175.22 180.40 1b8q n LYS 16 N 1.59 1.18 -2.89 10.12 5.02 -1.07 -3.62 118.16 128.50 1b8q n LYS 16 Ca -0.20 -0.40 -0.11 0.00 -2.02 0.00 0.00 58.31 55.57 1b8q n LYS 16 Cb 0.55 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.38 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1b8q n ARG 17 N 0.66 -2.22 -1.63 1.97 5.12 -1.25 0.14 116.66 119.45 1b8q n ARG 17 Ca 0.08 0.04 -0.05 0.00 -1.93 0.00 0.00 57.85 55.99 1b8q n ARG 17 Cb 0.60 -4.16 -0.01 0.00 -1.16 0.00 0.00 32.46 27.73 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 -2.70 -1.69 -1.10 5.56 0.00 -1.26 -4.45 118.16 112.52 1b8q n LYS 18 Ca 0.03 0.26 -0.05 0.00 -0.00 0.00 0.00 58.31 58.55 1b8q n LYS 18 Cb 0.44 -4.51 -0.03 0.00 -0.00 0.00 0.00 35.03 30.93 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 -1.87 0.00 -3.38 0.58 0.24 0.93 -4.40 118.33 110.42 1b8q n VAL 19 Ca -0.05 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1b8q n VAL 19 Cb 0.30 0.46 0.01 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.17 -1.21 2.57 7.63 0.00 0.36 -4.99 105.19 109.39 1b8q n GLY 20 Ca -0.21 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.68 0.94 0.37 -0.02 0.00 -0.81 -4.94 105.19 99.05 1b8q n GLY 21 Ca -0.11 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 3.94 0.00 0.00 0.99 4.07 -1.81 -3.33 115.31 119.17 1b8q h LEU 22 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1b8q h LEU 22 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1b8q h LEU 22 CO 0.36 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.33 1b8q n GLY 23 N -1.37 0.89 3.55 0.83 0.00 -1.26 -0.97 105.19 106.86 1b8q n GLY 23 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.83 1.61 -0.71 -1.26 -0.84 117.98 114.91 1b8q s PHE 24 Ca 0.00 1.71 -0.13 0.00 -1.04 0.00 0.00 56.93 57.47 1b8q s PHE 24 Cb 0.00 0.25 0.10 0.00 -1.21 0.00 0.00 43.02 42.16 1b8q s PHE 24 CO 0.00 -0.35 1.20 -0.51 -1.34 0.00 0.00 175.22 174.22 1b8q s LEU 25 N 0.29 2.55 0.03 -1.99 1.43 0.25 -4.80 118.68 116.44 1b8q s LEU 25 Ca -0.00 0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 1b8q s LEU 25 Cb -0.04 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.13 1b8q s LEU 25 CO 0.01 -2.05 0.44 0.68 0.23 0.00 0.00 176.35 175.66 1b8q s VAL 26 N -3.63 0.05 -0.20 -1.59 -7.23 -1.26 -2.22 120.40 104.32 1b8q s VAL 26 Ca 0.64 -0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 60.38 1b8q s VAL 26 Cb -0.10 -0.92 0.07 0.00 0.56 0.00 0.00 36.38 36.00 1b8q s VAL 26 CO 0.50 -0.21 0.11 -1.59 -0.31 0.00 0.00 175.10 173.60 1b8q s LYS 27 N -2.21 0.10 -0.17 4.82 -2.85 0.30 -4.80 119.74 114.93 1b8q s LYS 27 Ca -0.07 -0.14 -0.06 0.00 -1.00 0.00 0.00 55.97 54.70 1b8q s LYS 27 Cb -0.01 -1.65 -0.03 0.00 -2.06 0.00 0.00 37.83 34.07 1b8q s LYS 27 CO -0.00 -0.74 0.01 -2.00 0.10 0.00 0.00 175.35 172.73 1b8q s GLU 28 N 2.15 3.83 -0.21 1.78 -6.30 -1.26 -1.85 118.70 116.84 1b8q s GLU 28 Ca 0.04 -0.43 -0.26 0.00 -2.50 0.00 0.00 54.97 51.83 1b8q s GLU 28 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 34.13 30.89 1b8q s GLU 28 CO -0.15 0.26 0.87 1.03 0.02 0.00 0.00 175.26 177.29 1b8q s ARG 29 N 0.36 4.24 0.62 4.30 1.81 -1.26 -4.84 118.95 124.19 1b8q s ARG 29 Ca -0.00 1.04 0.27 0.00 -1.72 0.00 0.00 55.73 55.32 1b8q s ARG 29 Cb -0.13 -3.62 1.42 0.00 -0.45 0.00 0.00 34.95 32.18 1b8q s ARG 29 CO 0.01 -0.46 1.82 0.28 -0.68 0.00 0.00 175.30 176.28 1b8q h VAL 30 N 5.34 0.19 -1.01 3.52 2.07 -1.93 -3.03 116.25 121.39 1b8q h VAL 30 Ca -0.25 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 66.90 1b8q h VAL 30 Cb 1.10 0.57 -0.27 0.00 -1.52 0.00 0.00 31.29 31.17 1b8q h VAL 30 CO 0.88 0.00 -0.82 -0.24 0.02 0.00 0.00 177.57 177.41 1b8q n SER 31 N -3.30 -0.97 -3.66 0.57 2.88 -1.26 -4.93 113.62 102.95 1b8q n SER 31 Ca 0.05 -3.22 0.01 0.00 -1.33 0.00 0.00 58.87 54.37 1b8q n SER 31 Cb 0.62 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.71 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 -0.78 0.53 0.67 -1.46 1.02 -1.15 -5.17 119.74 113.41 1b8q s LYS 32 Ca 0.32 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1b8q s LYS 32 Cb 0.28 0.17 -0.10 0.00 -0.52 0.00 0.00 37.83 37.65 1b8q s LYS 32 CO -0.11 -0.25 -0.57 -2.30 -0.92 0.00 0.00 175.35 171.21 1b8q n PRO 33 N -0.60 0.00 -0.80 -1.68 -0.01 -1.26 -4.59 135.00 126.06 1b8q n PRO 33 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 63.50 63.27 1b8q n PRO 33 Cb 0.61 -0.67 0.04 0.00 -0.01 0.00 0.00 33.50 33.47 1b8q n PRO 33 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1b8q n PRO 34 N 1.68 -0.36 -1.75 0.52 -0.02 -1.24 -4.27 135.00 129.56 1b8q n PRO 34 Ca -0.01 -0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 61.05 1b8q n PRO 34 Cb 0.38 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 32.80 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 -2.02 4.36 0.07 -1.45 0.11 -0.48 -4.53 120.40 116.46 1b8q s VAL 35 Ca 0.19 0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 59.95 1b8q s VAL 35 Cb 0.03 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1b8q s VAL 35 CO 0.30 -0.98 0.17 -0.51 -3.33 0.00 0.00 175.10 170.75 1b8q s ILE 36 N -3.08 0.14 0.37 7.04 1.10 -0.77 -4.40 121.20 121.60 1b8q s ILE 36 Ca 0.57 -1.16 -0.24 0.00 -0.51 0.00 0.00 60.65 59.31 1b8q s ILE 36 Cb -0.12 -1.25 -0.10 0.00 0.15 0.00 0.00 42.46 41.14 1b8q s ILE 36 CO 0.53 -0.64 0.95 -0.63 -2.11 0.00 0.00 174.94 173.05 1b8q s ILE 37 N -3.55 4.26 -0.07 2.00 1.01 -1.26 0.11 121.20 123.70 1b8q s ILE 37 Ca 0.03 1.66 0.02 0.00 0.00 0.00 0.00 60.65 62.36 1b8q s ILE 37 Cb 0.04 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1b8q s ILE 37 CO -0.09 -0.05 -0.04 -0.24 0.00 0.00 0.00 174.94 174.52 1b8q n SER 38 N 0.04 3.43 -3.64 3.58 2.88 -0.94 -1.96 113.62 117.00 1b8q n SER 38 Ca 0.04 -0.03 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1b8q n SER 38 Cb 0.52 0.13 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 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 -4.42 -0.34 -1.15 -3.46 -1.08 -1.26 -4.67 116.67 100.29 1b8q s ASP 39 Ca -0.08 0.60 -0.21 0.00 -0.52 0.00 0.00 52.55 52.34 1b8q s ASP 39 Cb 0.02 0.84 -0.06 0.00 -1.46 0.00 0.00 42.92 42.27 1b8q s ASP 39 CO 0.20 -0.10 1.91 0.18 0.52 0.00 0.00 175.17 177.88 1b8q n LEU 40 N 2.66 3.91 -0.29 -1.34 4.77 -1.26 0.84 117.00 126.29 1b8q n LEU 40 Ca -0.14 -3.34 -0.07 0.00 -0.03 0.00 0.00 56.01 52.42 1b8q n LEU 40 Cb 0.57 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.97 1b8q n LEU 40 CO 0.02 -0.93 0.33 0.00 -1.33 0.00 0.00 177.39 175.48 1b8q n ILE 41 N 6.98 -0.46 -0.06 -0.08 0.13 -0.02 -3.72 119.36 122.13 1b8q n ILE 41 Ca 0.47 1.66 -0.05 0.00 -1.10 0.00 0.00 62.75 63.73 1b8q n ILE 41 Cb 0.45 -2.05 -0.02 0.00 -0.84 0.00 0.00 39.64 37.18 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 -4.83 0.38 -0.02 9.51 0.63 -1.19 -4.97 116.66 116.17 1b8q n ARG 42 Ca 0.01 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1b8q n ARG 42 Cb 0.18 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 1.56 1.83 0.00 5.14 0.00 -1.24 -5.00 105.19 107.48 1b8q n GLY 43 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.16 0.00 0.00 -0.02 0.00 -1.26 -4.33 105.19 98.41 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 -1.66 0.00 0.53 4.61 0.00 -1.26 -4.24 120.51 118.49 1b8q n ALA 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1b8q n ALA 45 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.34 -0.78 0.00 0.00 -1.35 -2.15 119.26 111.64 1b8q h ALA 46 Ca 0.00 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 54.79 1b8q h ALA 46 Cb 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 1b8q h ALA 46 CO 0.00 -1.24 -0.05 1.49 0.00 0.00 0.00 179.25 179.44 1b8q h GLU 47 N -1.35 0.06 -0.99 0.00 4.22 -1.81 0.73 114.58 115.43 1b8q h GLU 47 Ca -0.14 -0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.41 1b8q h GLU 47 Cb 1.02 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 1b8q h GLU 47 CO 0.22 0.04 0.63 1.96 -2.18 0.00 0.00 179.01 179.68 1b8q h GLN 48 N 0.06 0.96 -0.59 1.92 1.08 -1.71 -0.68 115.11 116.16 1b8q h GLN 48 Ca 0.42 -0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.66 1b8q h GLN 48 Cb 0.72 -0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 27.86 1b8q h GLN 48 CO -0.73 0.64 0.19 0.77 -0.95 0.00 0.00 178.83 178.75 1b8q h SER 49 N 0.99 0.14 0.00 1.46 0.02 0.12 -3.46 113.55 112.81 1b8q h SER 49 Ca 0.48 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1b8q h SER 49 Cb 0.46 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1b8q h SER 49 CO -0.25 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.14 1b8q n GLY 50 N -1.30 2.96 0.18 -3.77 0.00 -0.26 -4.86 105.19 98.14 1b8q n GLY 50 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 1.24 -4.55 0.99 -0.00 -1.26 -4.87 117.00 108.56 1b8q n LEU 51 Ca 0.00 -0.47 -0.36 0.00 -0.00 0.00 0.00 56.01 55.18 1b8q n LEU 51 Cb 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 43.42 43.25 1b8q n LEU 51 CO 0.00 0.26 -0.26 -0.63 -0.00 0.00 0.00 177.39 176.76 1b8q s ILE 52 N -2.78 4.58 0.06 1.47 1.09 -1.26 -4.87 121.20 119.50 1b8q s ILE 52 Ca 0.14 -0.09 -0.14 0.00 -1.10 0.00 0.00 60.65 59.45 1b8q s ILE 52 Cb 0.17 -3.10 0.02 0.00 -1.06 0.00 0.00 42.46 38.49 1b8q s ILE 52 CO 0.71 0.40 0.33 -1.58 -0.10 0.00 0.00 174.94 174.69 1b8q s GLN 53 N 0.99 0.88 0.04 2.79 2.00 -1.26 -4.01 119.66 121.08 1b8q s GLN 53 Ca 0.04 -0.56 -0.31 0.00 -2.00 0.00 0.00 55.36 52.53 1b8q s GLN 53 Cb -0.14 0.38 -0.06 0.00 0.80 0.00 0.00 33.01 33.99 1b8q s GLN 53 CO 0.03 -0.30 1.32 0.00 -0.50 0.00 0.00 175.29 175.84 1b8q s ALA 54 N -2.89 3.52 0.00 1.58 0.00 -1.26 -2.22 121.76 120.49 1b8q s ALA 54 Ca -0.03 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1b8q s ALA 54 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1b8q s ALA 54 CO -0.05 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1b8q n GLY 55 N 3.46 1.11 0.00 0.00 0.00 -0.83 -4.94 105.19 103.99 1b8q n GLY 55 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.51 1.61 9.92 -0.94 -4.93 116.55 118.70 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 0.00 -0.75 -0.41 0.53 1.10 -1.26 -4.91 121.20 115.50 1b8q s ILE 57 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 1b8q s ILE 57 Cb 0.00 -1.00 0.14 0.00 0.15 0.00 0.00 42.46 41.75 1b8q s ILE 57 CO 0.00 0.00 0.25 -0.51 -2.11 0.00 0.00 174.94 172.57 1b8q s ILE 58 N 2.69 0.75 -0.02 2.00 1.10 -1.26 -4.80 121.20 121.66 1b8q s ILE 58 Ca -0.03 -2.26 -0.00 0.00 -0.51 0.00 0.00 60.65 57.84 1b8q s ILE 58 Cb -0.09 -1.53 -0.00 0.00 0.15 0.00 0.00 42.46 40.99 1b8q s ILE 58 CO -0.18 -0.99 0.06 0.25 -2.11 0.00 0.00 174.94 171.97 1b8q h LEU 59 N 6.65 -0.01 -9.59 8.50 5.85 -1.76 -3.35 115.31 121.61 1b8q h LEU 59 Ca 0.07 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.23 1b8q h LEU 59 Cb 0.94 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 1b8q h LEU 59 CO 0.38 0.08 -0.63 0.00 -0.34 0.00 0.00 178.44 177.92 1b8q s ALA 60 N -2.95 3.23 -0.13 1.25 0.00 -1.03 -3.42 121.76 118.71 1b8q s ALA 60 Ca -0.00 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1b8q s ALA 60 Cb 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 23.12 22.30 1b8q s ALA 60 CO 0.01 0.32 0.79 0.54 0.00 0.00 0.00 175.76 177.42 1b8q s VAL 61 N -2.14 0.00 -1.68 0.00 0.11 -1.19 -2.05 120.40 113.45 1b8q s VAL 61 Ca 0.30 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 1b8q s VAL 61 Cb -0.07 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.91 1b8q s VAL 61 CO 0.20 0.00 0.60 -0.46 -3.33 0.00 0.00 175.10 172.11 1b8q n ASN 62 N 1.29 -2.05 -2.31 3.54 0.23 0.32 0.10 115.26 116.38 1b8q n ASN 62 Ca -0.16 -1.09 -0.18 0.00 -0.53 0.00 0.00 54.58 52.63 1b8q n ASN 62 Cb 0.57 -2.43 -0.02 0.00 -2.08 0.00 0.00 39.78 35.82 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 -2.69 -5.11 -4.01 0.53 2.03 -1.25 -4.88 116.55 101.16 1b8q n ASP 63 Ca -0.02 0.11 -0.32 0.00 0.52 0.00 0.00 54.79 55.08 1b8q n ASP 63 Cb 0.54 -4.31 -0.14 0.00 -0.72 0.00 0.00 41.12 36.49 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 -4.87 1.80 -0.89 -0.67 1.81 0.29 -5.04 118.95 111.39 1b8q s ARG 64 Ca 0.00 -2.18 -0.26 0.00 -1.72 0.00 0.00 55.73 51.56 1b8q s ARG 64 Cb 0.00 -3.34 -0.17 0.00 -0.45 0.00 0.00 34.95 30.99 1b8q s ARG 64 CO 0.00 -1.03 2.32 -0.35 -0.68 0.00 0.00 175.30 175.55 1b8q n PRO 65 N 3.84 0.40 -1.71 3.54 -0.04 -1.26 -3.20 135.00 136.57 1b8q n PRO 65 Ca 0.04 -1.14 -0.40 0.00 -0.04 0.00 0.00 63.50 61.96 1b8q n PRO 65 Cb 0.38 -3.78 -0.01 0.00 -0.04 0.00 0.00 33.50 30.05 1b8q n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b8q n LEU 66 N 19.18 7.91 -0.02 1.53 4.32 -1.22 -4.18 117.00 144.53 1b8q n LEU 66 Ca 0.45 -4.49 -0.04 0.00 -0.02 0.00 0.00 56.01 51.91 1b8q n LEU 66 Cb 0.44 -1.52 -0.01 0.00 -1.62 0.00 0.00 43.42 40.71 1b8q n LEU 66 CO 0.56 1.78 -0.59 1.33 -1.22 0.00 0.00 177.39 179.25 1b8q n VAL 67 N 3.40 0.31 -2.06 4.08 0.24 -1.26 -1.38 118.33 121.65 1b8q n VAL 67 Ca 0.64 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.94 1b8q n VAL 67 Cb 0.29 -1.57 0.02 0.00 -1.47 0.00 0.00 33.84 31.10 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 -3.22 0.38 -5.01 -1.34 9.92 -1.26 -3.67 116.55 112.35 1b8q n ASP 68 Ca -0.07 -2.09 -0.18 0.00 -0.53 0.00 0.00 54.79 51.92 1b8q n ASP 68 Cb 0.51 -0.24 0.02 0.00 -0.64 0.00 0.00 41.12 40.77 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1b8q s LEU 69 N -0.20 3.47 -0.40 0.64 0.05 -1.26 -5.01 118.68 115.97 1b8q s LEU 69 Ca 0.10 -0.57 -0.28 0.00 0.05 0.00 0.00 54.13 53.44 1b8q s LEU 69 Cb 0.11 -2.32 -0.03 0.00 -2.05 0.00 0.00 46.19 41.91 1b8q s LEU 69 CO -0.04 -0.93 1.93 -0.94 -0.55 0.00 0.00 176.35 175.83 1b8q s SER 70 N -4.43 5.52 0.12 1.48 1.04 -1.26 -4.87 113.70 111.30 1b8q s SER 70 Ca 0.56 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 1b8q s SER 70 Cb -0.08 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 1b8q s SER 70 CO 0.34 -2.04 1.50 0.22 0.98 0.00 0.00 173.24 174.25 1b8q h TYR 71 N 14.42 -1.59 -0.61 5.02 3.20 -1.90 0.77 116.97 136.28 1b8q h TYR 71 Ca -0.32 0.08 0.14 0.00 3.14 0.00 0.00 58.73 61.78 1b8q h TYR 71 Cb 1.19 0.75 -0.03 0.00 1.54 0.00 0.00 36.73 40.18 1b8q h TYR 71 CO 0.98 -0.44 0.42 0.22 -1.64 0.00 0.00 178.16 177.70 1b8q h ASP 72 N -0.32 0.18 -0.05 -2.11 1.82 -1.92 0.13 116.42 114.14 1b8q h ASP 72 Ca 0.08 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.58 1b8q h ASP 72 Cb 0.53 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.52 1b8q h ASP 72 CO -0.58 0.10 -0.53 -1.28 -1.61 0.00 0.00 179.24 175.33 1b8q h SER 73 N 0.20 0.56 -0.98 2.28 0.87 -0.99 -1.63 113.55 113.86 1b8q h SER 73 Ca 0.29 -0.70 0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1b8q h SER 73 Cb 0.88 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1b8q h SER 73 CO -0.05 1.17 0.65 0.00 -0.53 0.00 0.00 176.83 178.07 1b8q h ALA 74 N 0.40 1.25 -0.04 6.23 0.00 0.19 0.19 119.26 127.46 1b8q h ALA 74 Ca -0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1b8q h ALA 74 Cb 1.21 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1b8q h ALA 74 CO 0.11 0.62 -0.55 -0.07 0.00 0.00 0.00 179.25 179.36 1b8q h LEU 75 N 1.31 0.14 -0.04 0.00 3.38 -0.80 -2.51 115.31 116.78 1b8q h LEU 75 Ca 0.36 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 58.00 1b8q h LEU 75 Cb -0.13 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.59 1b8q h LEU 75 CO -0.08 0.66 -1.01 1.05 0.09 0.00 0.00 178.44 179.15 1b8q h GLU 76 N 0.10 0.66 -0.91 1.13 4.11 -0.55 0.12 114.58 119.23 1b8q h GLU 76 Ca -0.00 -0.70 -0.01 0.00 0.07 0.00 0.00 59.36 58.72 1b8q h GLU 76 Cb 1.00 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1b8q h GLU 76 CO 0.08 1.29 0.52 0.28 0.07 0.00 0.00 179.01 181.25 1b8q h VAL 77 N 0.38 1.26 0.00 -1.06 2.07 -0.93 -1.90 116.25 116.06 1b8q h VAL 77 Ca -0.12 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1b8q h VAL 77 Cb 1.66 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1b8q h VAL 77 CO 0.19 0.28 -0.59 0.17 0.02 0.00 0.00 177.57 177.65 1b8q h LEU 78 N 1.27 0.00 -1.06 2.57 8.10 -1.44 -3.26 115.31 121.50 1b8q h LEU 78 Ca 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.28 1b8q h LEU 78 Cb -0.01 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 1b8q h LEU 78 CO -0.06 0.54 0.26 0.03 -4.11 0.00 0.00 178.44 175.11 1b8q h ARG 79 N 0.00 0.93 0.00 0.17 -0.00 0.02 -1.76 114.38 113.74 1b8q h ARG 79 Ca -0.01 -0.15 0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1b8q h ARG 79 Cb 1.42 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 31.23 1b8q h ARG 79 CO 0.07 0.76 0.06 0.78 0.00 0.00 0.00 179.97 181.64 1b8q h GLY 80 N 1.01 0.00 -5.50 0.04 0.00 -1.48 -3.43 103.07 93.72 1b8q h GLY 80 Ca 0.22 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.96 1b8q h GLY 80 CO -0.02 0.00 1.07 1.39 0.00 0.00 0.00 176.54 178.98 1b8q n ILE 81 N -2.84 0.49 -0.19 2.60 5.41 -0.67 -4.98 119.36 119.18 1b8q n ILE 81 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1b8q n ILE 81 Cb 0.12 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 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 6.13 0.00 -2.51 -1.39 0.00 -1.26 -4.90 120.51 116.58 1b8q n ALA 82 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1b8q n ALA 82 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.01 0.00 -3.16 0.00 3.41 -1.26 -4.50 113.62 107.09 1b8q n SER 83 Ca 0.00 -0.97 -0.15 0.00 -0.26 0.00 0.00 58.87 57.50 1b8q n SER 83 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1b8q n SER 83 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1b8q n GLU 84 N -0.97 -2.31 -4.38 4.33 2.13 -1.26 -4.88 120.64 113.31 1b8q n GLU 84 Ca 0.00 0.09 -0.22 0.00 0.66 0.00 0.00 57.16 57.69 1b8q n GLU 84 Cb 0.00 -4.63 -0.11 0.00 0.27 0.00 0.00 31.44 26.98 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1b8q s THR 85 N -2.45 2.02 0.52 6.31 -1.32 -1.26 -5.04 115.64 114.41 1b8q s THR 85 Ca 0.28 -2.14 0.09 0.00 -1.21 0.00 0.00 61.69 58.71 1b8q s THR 85 Cb -0.16 -2.05 0.06 0.00 -1.51 0.00 0.00 72.50 68.84 1b8q s THR 85 CO 0.34 -0.40 0.71 -2.28 -2.21 0.00 0.00 174.62 170.78 1b8q s HIS 86 N -2.40 1.91 0.03 9.09 2.46 -1.26 -2.60 115.29 122.52 1b8q s HIS 86 Ca 0.22 -0.61 -0.15 0.00 0.47 0.00 0.00 55.06 54.98 1b8q s HIS 86 Cb -0.04 -2.27 0.03 0.00 -0.13 0.00 0.00 32.58 30.17 1b8q s HIS 86 CO 0.09 -0.89 0.34 0.54 -2.47 0.00 0.00 174.74 172.35 1b8q s VAL 87 N -2.56 0.07 0.24 0.89 0.11 0.40 -4.75 120.40 114.80 1b8q s VAL 87 Ca 0.59 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 1b8q s VAL 87 Cb -0.07 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1b8q s VAL 87 CO 0.37 -0.32 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.05 1b8q s VAL 88 N -2.30 3.15 0.25 2.04 1.01 -1.26 -0.05 120.40 123.25 1b8q s VAL 88 Ca -0.07 -1.95 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1b8q s VAL 88 Cb -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1b8q s VAL 88 CO -0.02 -0.30 0.54 -1.48 0.00 0.00 0.00 175.10 173.84 1b8q s LEU 89 N -3.39 0.17 -0.06 3.92 2.34 0.24 0.12 118.68 122.02 1b8q s LEU 89 Ca 0.29 -0.83 -0.01 0.00 0.06 0.00 0.00 54.13 53.64 1b8q s LEU 89 Cb -0.07 2.02 0.03 0.00 -0.56 0.00 0.00 46.19 47.61 1b8q s LEU 89 CO 0.17 -1.19 0.00 -0.63 -1.06 0.00 0.00 176.35 173.65 1b8q s ILE 90 N -3.99 0.31 0.31 1.48 -1.09 -0.87 0.17 121.20 117.52 1b8q s ILE 90 Ca 0.19 0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 58.50 1b8q s ILE 90 Cb -0.02 -0.45 -0.09 0.00 -1.58 0.00 0.00 42.46 40.32 1b8q s ILE 90 CO 0.08 0.23 0.86 -0.76 -1.23 0.00 0.00 174.94 174.11 1b8q s LEU 91 N 1.67 4.26 0.17 2.97 1.43 0.21 -2.46 118.68 126.93 1b8q s LEU 91 Ca -0.00 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.83 1b8q s LEU 91 Cb -0.13 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1b8q s LEU 91 CO -0.04 -0.09 -0.17 0.00 0.23 0.00 0.00 176.35 176.29 1b8q s ARG 92 N -2.28 1.79 0.00 1.70 1.04 -1.25 -1.21 118.95 118.74 1b8q s ARG 92 Ca 0.50 -1.35 0.00 0.00 -1.04 0.00 0.00 55.73 53.84 1b8q s ARG 92 Cb -0.16 -2.03 0.00 0.00 -2.04 0.00 0.00 34.95 30.73 1b8q s ARG 92 CO 0.21 0.43 0.00 0.41 -0.04 0.00 0.00 175.30 176.31 1b8q n GLY 93 N 0.27 0.10 3.80 3.88 0.00 0.25 -4.53 105.19 108.97 1b8q n GLY 93 Ca -0.12 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 4.32 0.00 1.61 0.04 -1.25 -3.22 135.00 136.49 1b8q s PRO 94 Ca 0.00 0.91 0.01 0.00 0.04 0.00 0.00 61.00 61.96 1b8q s PRO 94 Cb 0.00 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1b8q s PRO 94 CO 0.00 0.49 0.70 -0.85 0.04 0.00 0.00 177.00 177.38 1b8q n GLU 95 N 1.14 0.00 -1.54 4.56 0.28 -1.26 -5.02 120.64 118.81 1b8q n GLU 95 Ca -0.05 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1b8q n GLU 95 Cb 0.50 0.07 0.00 0.00 1.43 0.00 0.00 31.44 33.45 1b8q n GLU 95 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b8q n GLY 96 N 0.02 0.81 3.10 -1.84 0.00 -1.26 -4.49 105.19 101.52 1b8q n GLY 96 Ca -0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 -0.38 -0.36 1.61 0.40 -1.26 0.11 117.98 115.56 1b8q s PHE 97 Ca 0.00 0.89 -0.26 0.00 -0.60 0.00 0.00 56.93 56.95 1b8q s PHE 97 Cb 0.00 0.09 0.02 0.00 0.51 0.00 0.00 43.02 43.64 1b8q s PHE 97 CO 0.00 -0.26 0.96 0.95 0.70 0.00 0.00 175.22 177.57 1b8q s THR 98 N 1.30 4.56 -0.93 0.64 -4.23 0.30 -4.43 115.64 112.84 1b8q s THR 98 Ca -0.09 1.30 -0.24 0.00 -1.18 0.00 0.00 61.69 61.47 1b8q s THR 98 Cb -0.10 -4.35 0.04 0.00 1.34 0.00 0.00 72.50 69.43 1b8q s THR 98 CO -0.09 -0.54 1.40 0.42 -0.54 0.00 0.00 174.62 175.27 1b8q s THR 99 N 3.53 3.85 -0.19 3.99 -4.23 -1.25 0.30 115.64 121.64 1b8q s THR 99 Ca 0.40 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1b8q s THR 99 Cb -0.12 -5.01 -0.04 0.00 1.34 0.00 0.00 72.50 68.68 1b8q s THR 99 CO 0.18 -1.91 0.05 -1.38 -0.54 0.00 0.00 174.62 171.03 1b8q s HIS 100 N 5.26 3.20 0.22 3.99 -3.43 0.32 -4.53 115.29 120.32 1b8q s HIS 100 Ca 0.43 -0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 54.35 1b8q s HIS 100 Cb -0.03 -2.09 -0.08 0.00 -1.43 0.00 0.00 32.58 28.95 1b8q s HIS 100 CO -0.02 0.05 1.05 -1.17 -2.00 0.00 0.00 174.74 172.66 1b8q s LEU 101 N 0.57 4.55 -0.04 5.38 0.20 -1.26 -0.81 118.68 127.27 1b8q s LEU 101 Ca 0.03 2.09 0.01 0.00 0.69 0.00 0.00 54.13 56.95 1b8q s LEU 101 Cb -0.13 -3.61 0.05 0.00 -0.43 0.00 0.00 46.19 42.07 1b8q s LEU 101 CO 0.01 -0.10 0.55 1.21 -0.29 0.00 0.00 176.35 177.73 1b8q n GLU 102 N 1.83 0.16 -3.69 1.98 2.13 -1.26 -4.94 120.64 116.85 1b8q n GLU 102 Ca 0.00 -0.17 0.02 0.00 0.66 0.00 0.00 57.16 57.68 1b8q n GLU 102 Cb 0.46 0.15 0.00 0.00 0.27 0.00 0.00 31.44 32.33 1b8q n GLU 102 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1b8q s THR 103 N 0.01 0.00 -0.00 6.31 -1.32 -1.26 -5.06 115.64 114.32 1b8q s THR 103 Ca 0.01 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1b8q s THR 103 Cb 0.05 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1b8q s THR 103 CO -0.01 0.00 0.55 0.41 -2.21 0.00 0.00 174.62 173.35 1b8q n THR 104 N -0.59 0.03 -1.45 5.08 -1.04 -1.26 -4.69 114.28 110.37 1b8q n THR 104 Ca -0.06 -0.04 0.08 0.00 -2.04 0.00 0.00 64.05 61.99 1b8q n THR 104 Cb 0.62 0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 70.04 1b8q n THR 104 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1b8q n PHE 105 N -0.02 -3.66 0.06 -1.42 1.16 -1.26 -4.53 117.46 107.79 1b8q n PHE 105 Ca 0.00 2.00 0.00 0.00 -1.87 0.00 0.00 57.45 57.58 1b8q n PHE 105 Cb 0.51 -3.20 0.00 0.00 -1.61 0.00 0.00 39.48 35.18 1b8q n PHE 105 CO 0.00 0.00 0.00 -2.37 -1.87 0.00 0.00 176.76 172.52 1b8q n THR 106 N -3.43 0.00 0.00 1.97 5.66 -1.26 -4.96 114.28 112.27 1b8q n THR 106 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1b8q n THR 106 Cb 0.53 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 -0.02 -2.33 2.23 1.09 0.00 -1.26 -4.52 105.19 100.37 1b8q n GLY 107 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1b8q n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b8q n ASP 108 N 0.00 4.61 -2.70 1.61 2.03 -1.26 -4.90 116.55 115.94 1b8q n ASP 108 Ca 0.00 -3.61 -0.07 0.00 0.52 0.00 0.00 54.79 51.63 1b8q n ASP 108 Cb 0.00 -0.87 0.03 0.00 -0.72 0.00 0.00 41.12 39.57 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b8q n GLY 109 N -1.06 -0.72 0.08 0.27 0.00 -1.26 -5.02 105.19 97.49 1b8q n GLY 109 Ca 0.59 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.30 1.47 -0.02 2.61 -1.04 -1.26 -4.43 114.28 109.31 1b8q n THR 110 Ca -0.03 0.16 0.22 0.00 -2.04 0.00 0.00 64.05 62.35 1b8q n THR 110 Cb 0.55 -2.36 0.70 0.00 -1.82 0.00 0.00 70.33 67.41 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 -1.00 0.00 -2.77 -2.82 0.11 -1.95 -3.40 132.00 120.17 1b8q h PRO 111 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1b8q h PRO 111 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1b8q h PRO 111 CO -0.01 0.00 -0.66 1.17 -0.21 0.00 0.00 178.00 178.29 1b8q n LYS 112 N -4.30 -3.46 0.33 1.05 3.00 -1.26 -4.62 118.16 108.89 1b8q n LYS 112 Ca 0.11 2.54 0.21 0.00 -0.00 0.00 0.00 58.31 61.18 1b8q n LYS 112 Cb 0.66 -2.83 1.16 0.00 0.00 0.00 0.00 35.03 34.02 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 1.61 0.08 -3.94 3.15 2.02 -1.84 -3.41 112.91 110.58 1b8q h THR 113 Ca 0.00 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.74 1b8q h THR 113 Cb 0.00 0.98 0.17 0.00 -1.74 0.00 0.00 68.15 67.55 1b8q h THR 113 CO 0.00 0.00 0.35 0.27 0.37 0.00 0.00 175.52 176.51 1b8q s ILE 114 N -4.22 1.91 -0.01 3.11 -4.36 -1.26 -4.90 121.20 111.47 1b8q s ILE 114 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.04 1b8q s ILE 114 Cb 0.13 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 1b8q s ILE 114 CO 0.42 0.00 1.07 -0.13 0.24 0.00 0.00 174.94 176.54 1b8q s ARG 115 N -5.74 4.48 0.04 0.37 0.52 -1.26 -4.74 118.95 112.61 1b8q s ARG 115 Ca 0.72 1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 57.17 1b8q s ARG 115 Cb -0.06 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1b8q s ARG 115 CO 0.54 -0.20 1.03 0.08 0.02 0.00 0.00 175.30 176.77 1b8q s VAL 116 N 1.35 4.59 0.14 3.52 1.01 0.01 -4.28 120.40 126.73 1b8q s VAL 116 Ca 0.54 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 64.12 1b8q s VAL 116 Cb -0.23 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 1b8q s VAL 116 CO 0.26 0.18 1.00 0.28 0.00 0.00 0.00 175.10 176.82 1b8q s THR 117 N 0.83 4.29 -0.03 3.92 -1.32 -1.24 0.12 115.64 122.21 1b8q s THR 117 Ca 0.53 1.94 0.05 0.00 -1.21 0.00 0.00 61.69 63.00 1b8q s THR 117 Cb -0.24 -4.24 -0.01 0.00 -1.51 0.00 0.00 72.50 66.51 1b8q s THR 117 CO 0.29 0.31 -0.19 0.00 -2.21 0.00 0.00 174.62 172.82 1b8q s GLN 118 N -0.16 1.74 -0.56 7.08 -2.07 0.15 -4.75 119.66 121.09 1b8q s GLN 118 Ca 0.47 -0.68 -0.28 0.00 -1.82 0.00 0.00 55.36 53.06 1b8q s GLN 118 Cb -0.25 -1.58 -0.15 0.00 -1.09 0.00 0.00 33.01 29.93 1b8q s GLN 118 CO 0.31 0.34 1.80 -2.30 -1.32 0.00 0.00 175.29 174.12 1b8q n PRO 119 N 2.85 0.00 -0.02 9.60 -0.02 -1.26 0.11 135.00 146.26 1b8q n PRO 119 Ca -0.16 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 1b8q n PRO 119 Cb 0.53 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 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 6.69 0.00 -0.01 2.45 -0.00 0.31 -4.76 117.00 121.68 1b8q n LEU 120 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 1b8q n LEU 120 Cb -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1b8q n LEU 120 CO 0.67 0.08 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 1b8q n GLY 121 N 2.78 1.31 3.54 1.47 0.00 -0.39 -4.87 105.19 109.02 1b8q n GLY 121 Ca -0.05 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.31 1b8q n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8q n PRO 122 N 2.95 1.41 -1.59 1.61 -0.04 -1.26 -4.45 135.00 133.63 1b8q n PRO 122 Ca 0.00 0.33 -0.33 0.00 -0.04 0.00 0.00 63.50 63.46 1b8q n PRO 122 Cb 0.00 -2.96 -0.07 0.00 -0.04 0.00 0.00 33.50 30.43 1b8q n PRO 122 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1b8q n PRO 123 N 8.63 1.28 -3.46 0.54 -0.04 -1.26 -4.73 135.00 135.96 1b8q n PRO 123 Ca 0.37 -2.07 -0.27 0.00 -0.04 0.00 0.00 63.50 61.49 1b8q n PRO 123 Cb 0.38 -3.39 -0.09 0.00 -0.04 0.00 0.00 33.50 30.36 1b8q n PRO 123 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1b8q n THR 124 N 7.30 -0.04 -2.61 0.52 -1.04 -1.26 -4.86 114.28 112.29 1b8q n THR 124 Ca 0.46 -4.10 -0.02 0.00 -2.04 0.00 0.00 64.05 58.35 1b8q n THR 124 Cb 0.44 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 1b8q n THR 124 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1b8q n LYS 125 N 2.06 0.06 0.00 -2.82 2.85 -1.26 -4.99 118.16 114.06 1b8q n LYS 125 Ca 0.26 -0.40 0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1b8q n LYS 125 Cb 0.46 0.01 0.33 0.00 -0.65 0.00 0.00 35.03 35.17 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b8q n ALA 126 N -0.37 1.71 0.56 0.58 0.00 -1.26 -5.30 120.51 116.43 1b8q n ALA 126 Ca -0.21 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.24 1b8q n ALA 126 Cb 0.59 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.85 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83