#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 -0.35 -0.92 1.61 1.04 -1.26 -5.03 113.70 108.80 1b8q s SER 2 Ca 0.00 0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1b8q s SER 2 Cb 0.00 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 1b8q s SER 2 CO 0.00 -0.38 0.83 1.41 0.98 0.00 0.00 173.24 176.07 1b8q n HIS 3 N 0.48 -2.58 -4.27 5.02 -0.00 -1.26 -5.04 115.22 107.58 1b8q n HIS 3 Ca -0.09 0.93 -0.15 0.00 -0.00 0.00 0.00 57.72 58.41 1b8q n HIS 3 Cb 0.59 -4.08 -0.10 0.00 -0.00 0.00 0.00 29.99 26.40 1b8q n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1b8q s MET 4 N -3.90 1.15 0.00 -0.41 1.00 -1.26 -5.17 119.30 110.71 1b8q s MET 4 Ca 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 55.69 54.45 1b8q s MET 4 Cb -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 34.83 34.33 1b8q s MET 4 CO 0.72 -0.06 0.00 1.51 0.00 0.00 0.00 175.02 177.20 1b8q n ILE 5 N -0.27 0.00 0.04 2.53 0.13 -1.26 -4.97 119.36 115.56 1b8q n ILE 5 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 1b8q n ILE 5 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.43 1b8q n ILE 5 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1b8q n GLU 6 N 0.00 0.00 -0.62 9.51 -0.58 -1.26 -4.92 120.64 122.77 1b8q n GLU 6 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1b8q n GLU 6 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 30.99 1b8q n GLU 6 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1b8q n PRO 7 N -2.71 -1.71 0.00 3.49 -0.04 -1.26 -4.87 135.00 127.90 1b8q n PRO 7 Ca 0.00 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1b8q n PRO 7 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.39 0.00 -3.30 3.54 4.13 -1.26 -4.91 115.26 113.07 1b8q n ASN 8 Ca 0.04 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.32 1b8q n ASN 8 Cb 0.39 0.15 -0.02 0.00 -1.54 0.00 0.00 39.78 38.75 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 -0.58 -0.91 0.00 2.41 0.11 -1.26 -0.09 120.40 120.08 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 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 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 -2.31 7.04 0.13 -0.67 -4.57 119.36 124.40 1b8q n ILE 10 Ca -0.05 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.33 1b8q n ILE 10 Cb 0.51 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 39.35 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 0.62 5.36 0.18 9.51 0.01 -1.26 0.02 113.70 128.14 1b8q s SER 11 Ca 0.00 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.74 1b8q s SER 11 Cb 0.00 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.72 1b8q s SER 11 CO 0.00 -1.23 0.52 -0.69 0.41 0.00 0.00 173.24 172.25 1b8q s VAL 12 N -3.09 0.03 -0.14 3.43 1.01 0.41 -4.61 120.40 117.44 1b8q s VAL 12 Ca 0.56 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1b8q s VAL 12 Cb -0.11 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1b8q s VAL 12 CO 0.45 -0.13 0.35 -0.60 0.00 0.00 0.00 175.10 175.17 1b8q s ARG 13 N -3.85 0.34 0.35 2.72 3.52 -1.26 0.21 118.95 120.97 1b8q s ARG 13 Ca 0.07 0.65 0.05 0.00 -0.13 0.00 0.00 55.73 56.37 1b8q s ARG 13 Cb -0.01 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.34 1b8q s ARG 13 CO -0.05 -0.14 0.19 -0.51 -0.81 0.00 0.00 175.30 173.98 1b8q s LEU 14 N 1.12 1.81 0.12 -0.88 1.02 0.15 -4.96 118.68 117.07 1b8q s LEU 14 Ca -0.08 -1.67 0.09 0.00 0.02 0.00 0.00 54.13 52.49 1b8q s LEU 14 Cb -0.08 0.21 -0.04 0.00 0.02 0.00 0.00 46.19 46.30 1b8q s LEU 14 CO -0.09 -0.97 -0.21 0.12 0.02 0.00 0.00 176.35 175.22 1b8q s PHE 15 N -3.41 1.90 -0.29 0.29 2.19 -1.26 0.16 117.98 117.56 1b8q s PHE 15 Ca 0.33 -0.42 0.01 0.00 0.33 0.00 0.00 56.93 57.17 1b8q s PHE 15 Cb 0.03 -1.01 0.06 0.00 -1.31 0.00 0.00 43.02 40.79 1b8q s PHE 15 CO 0.20 0.27 0.94 1.63 1.83 0.00 0.00 175.22 180.08 1b8q n LYS 16 N 0.84 1.16 -2.68 10.12 4.01 -1.07 -3.61 118.16 126.93 1b8q n LYS 16 Ca -0.18 -0.25 -0.07 0.00 -0.51 0.00 0.00 58.31 57.30 1b8q n LYS 16 Cb 0.54 -1.23 -0.01 0.00 -0.51 0.00 0.00 35.03 33.83 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 0.28 -2.69 -1.60 1.97 3.00 -1.26 0.17 116.66 116.52 1b8q n ARG 17 Ca 0.04 0.18 -0.05 0.00 -0.00 0.00 0.00 57.85 58.02 1b8q n ARG 17 Cb 0.52 -4.72 -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 -2.76 -1.66 -1.39 -0.14 0.00 -1.26 -4.41 118.16 106.54 1b8q n LYS 18 Ca -0.03 0.26 -0.03 0.00 -0.00 0.00 0.00 58.31 58.52 1b8q n LYS 18 Cb 0.52 -4.50 0.01 0.00 -0.00 0.00 0.00 35.03 31.06 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 -1.84 0.00 -3.57 0.58 0.24 0.31 -4.52 118.33 109.52 1b8q n VAL 19 Ca -0.05 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.34 61.79 1b8q n VAL 19 Cb 0.29 0.50 0.02 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.38 -1.16 2.54 7.63 0.00 0.44 -4.96 105.19 109.30 1b8q n GLY 20 Ca -0.13 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 1.91 0.55 -0.02 0.00 -0.69 -4.94 105.19 100.29 1b8q n GLY 21 Ca -0.14 -0.90 0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 0.01 0.00 0.00 0.99 4.32 -1.24 -4.33 117.00 116.76 1b8q n LEU 22 Ca 0.11 0.78 0.00 0.00 -0.02 0.00 0.00 56.01 56.88 1b8q n LEU 22 Cb 0.75 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1b8q n LEU 22 CO 0.13 -0.78 0.00 0.61 -1.22 0.00 0.00 177.39 176.13 1b8q n GLY 23 N -1.72 1.13 3.34 -0.72 0.00 -1.26 -1.81 105.19 104.15 1b8q n GLY 23 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.43 0.81 1.61 -0.12 -1.26 0.58 117.98 117.17 1b8q s PHE 24 Ca 0.00 0.92 -0.12 0.00 -0.05 0.00 0.00 56.93 57.68 1b8q s PHE 24 Cb 0.00 0.18 0.08 0.00 -0.63 0.00 0.00 43.02 42.66 1b8q s PHE 24 CO 0.00 -0.34 1.18 -0.51 -0.05 0.00 0.00 175.22 175.50 1b8q s LEU 25 N -0.45 2.52 0.07 -1.99 1.43 0.10 -4.80 118.68 115.56 1b8q s LEU 25 Ca -0.06 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1b8q s LEU 25 Cb -0.03 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1b8q s LEU 25 CO 0.03 -1.92 0.27 0.68 0.23 0.00 0.00 176.35 175.64 1b8q s VAL 26 N -3.58 0.10 -0.25 -1.59 -7.23 -1.26 -2.02 120.40 104.58 1b8q s VAL 26 Ca 0.62 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1b8q s VAL 26 Cb -0.11 -1.12 0.08 0.00 0.56 0.00 0.00 36.38 35.80 1b8q s VAL 26 CO 0.49 -0.47 0.08 -1.59 -0.31 0.00 0.00 175.10 173.30 1b8q s LYS 27 N -3.24 0.54 -0.29 4.82 -2.85 0.29 -4.82 119.74 114.19 1b8q s LYS 27 Ca -0.00 -0.62 -0.10 0.00 -1.00 0.00 0.00 55.97 54.24 1b8q s LYS 27 Cb 0.02 -1.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.89 1b8q s LYS 27 CO -0.08 -0.82 0.17 -2.00 0.10 0.00 0.00 175.35 172.72 1b8q s GLU 28 N 1.85 3.75 -0.14 1.78 2.12 -1.26 -1.96 118.70 124.84 1b8q s GLU 28 Ca 0.04 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1b8q s GLU 28 Cb -0.17 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 1b8q s GLU 28 CO -0.19 -0.25 1.93 1.03 -0.54 0.00 0.00 175.26 177.23 1b8q s ARG 29 N 1.71 3.67 0.59 4.30 1.81 -1.25 -4.82 118.95 124.97 1b8q s ARG 29 Ca 0.06 2.07 0.24 0.00 -1.72 0.00 0.00 55.73 56.38 1b8q s ARG 29 Cb -0.16 -4.19 1.31 0.00 -0.45 0.00 0.00 34.95 31.46 1b8q s ARG 29 CO 0.09 -1.47 1.71 0.28 -0.68 0.00 0.00 175.30 175.23 1b8q h VAL 30 N 6.34 0.00 -0.13 3.52 2.07 -1.93 -1.06 116.25 125.05 1b8q h VAL 30 Ca -0.41 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.93 1b8q h VAL 30 Cb 1.21 0.53 -0.30 0.00 -1.52 0.00 0.00 31.29 31.21 1b8q h VAL 30 CO 0.97 0.00 -0.91 -1.20 0.02 0.00 0.00 177.57 176.45 1b8q n SER 31 N -2.68 1.57 -3.63 0.57 7.64 -1.26 -4.95 113.62 110.87 1b8q n SER 31 Ca -0.02 -2.58 -0.11 0.00 1.01 0.00 0.00 58.87 57.17 1b8q n SER 31 Cb 0.42 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.16 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1b8q s LYS 32 N -1.68 0.64 0.14 1.43 1.02 -0.40 -5.07 119.74 115.81 1b8q s LYS 32 Ca 0.35 0.76 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 1b8q s LYS 32 Cb 0.37 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.98 1b8q s LYS 32 CO -0.11 -0.08 1.80 -1.35 -0.92 0.00 0.00 175.35 174.69 1b8q h PRO 33 N 4.53 0.41 -5.04 -1.68 0.11 -1.80 -3.30 132.00 125.22 1b8q h PRO 33 Ca -0.29 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.40 1b8q h PRO 33 Cb 1.17 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 1b8q h PRO 33 CO 0.08 0.27 1.80 -2.30 -0.21 0.00 0.00 178.00 177.65 1b8q n PRO 34 N -4.87 0.07 -4.06 1.05 -0.02 -1.26 -4.36 135.00 121.55 1b8q n PRO 34 Ca -0.01 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 1b8q n PRO 34 Cb 0.03 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 5.05 4.48 0.34 -1.45 0.11 -1.26 -3.94 120.40 123.73 1b8q s VAL 35 Ca 1.30 -0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 1b8q s VAL 35 Cb -0.95 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 30.75 1b8q s VAL 35 CO 0.50 0.08 0.69 -0.51 -3.33 0.00 0.00 175.10 172.53 1b8q s ILE 36 N -1.45 0.00 0.15 7.04 1.10 -0.83 -4.62 121.20 122.60 1b8q s ILE 36 Ca 0.29 -1.13 -0.09 0.00 -0.51 0.00 0.00 60.65 59.21 1b8q s ILE 36 Cb -0.12 -2.56 -0.06 0.00 0.15 0.00 0.00 42.46 39.87 1b8q s ILE 36 CO 0.22 0.00 0.47 -0.63 -2.11 0.00 0.00 174.94 172.89 1b8q s ILE 37 N -3.00 5.01 -0.07 2.00 1.01 -1.26 0.10 121.20 124.99 1b8q s ILE 37 Ca 0.17 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.29 1b8q s ILE 37 Cb -0.04 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 1b8q s ILE 37 CO 0.11 0.11 -0.03 -1.20 0.00 0.00 0.00 174.94 173.93 1b8q n SER 38 N 0.38 3.38 -3.64 3.58 7.64 -0.86 0.99 113.62 125.09 1b8q n SER 38 Ca -0.04 -0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.74 1b8q n SER 38 Cb 0.52 0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.87 1b8q n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b8q s ASP 39 N -4.36 -0.58 -1.21 6.43 2.15 -1.26 -4.59 116.67 113.26 1b8q s ASP 39 Ca -0.08 1.02 -0.21 0.00 0.43 0.00 0.00 52.55 53.71 1b8q s ASP 39 Cb 0.02 1.13 -0.04 0.00 -0.30 0.00 0.00 42.92 43.73 1b8q s ASP 39 CO 0.22 -0.17 1.88 0.18 -0.17 0.00 0.00 175.17 177.12 1b8q n LEU 40 N 3.01 3.74 -0.27 -1.34 4.77 -1.26 0.01 117.00 125.67 1b8q n LEU 40 Ca -0.16 -3.40 -0.07 0.00 -0.03 0.00 0.00 56.01 52.36 1b8q n LEU 40 Cb 0.57 -1.71 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1b8q n LEU 40 CO 0.02 -1.13 0.32 0.00 -1.33 0.00 0.00 177.39 175.26 1b8q n ILE 41 N 7.25 -0.43 -0.02 -0.08 0.13 0.20 -3.79 119.36 122.62 1b8q n ILE 41 Ca 0.46 1.56 -0.02 0.00 -1.10 0.00 0.00 62.75 63.66 1b8q n ILE 41 Cb 0.46 -1.93 -0.01 0.00 -0.84 0.00 0.00 39.64 37.32 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 -4.82 0.11 0.00 9.51 0.63 -1.14 -4.98 116.66 115.98 1b8q n ARG 42 Ca 0.02 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1b8q n ARG 42 Cb 0.18 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.26 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 1.59 1.77 0.00 5.14 0.00 -1.25 -5.01 105.19 107.44 1b8q n GLY 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.88 0.00 0.00 -0.02 0.00 -1.26 -4.19 105.19 98.84 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 -1.31 0.00 0.16 4.61 0.00 -1.26 -4.10 120.51 118.62 1b8q n ALA 45 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1b8q n ALA 45 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.39 -0.64 0.00 0.00 -1.68 -1.80 119.26 112.74 1b8q h ALA 46 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.88 1b8q h ALA 46 Cb 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 1b8q h ALA 46 CO 0.00 -0.59 0.07 1.49 0.00 0.00 0.00 179.25 180.22 1b8q h GLU 47 N -0.64 0.18 -0.38 0.00 4.81 -1.84 0.62 114.58 117.33 1b8q h GLU 47 Ca -0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1b8q h GLU 47 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1b8q h GLU 47 CO 0.07 0.12 0.25 0.37 -0.73 0.00 0.00 179.01 179.09 1b8q h GLN 48 N 0.18 0.41 -0.36 1.92 5.75 -1.69 -1.58 115.11 119.74 1b8q h GLN 48 Ca 0.34 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.88 1b8q h GLN 48 Cb 0.56 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.97 1b8q h GLN 48 CO -0.50 0.27 0.05 1.03 -2.65 0.00 0.00 178.83 177.03 1b8q h SER 49 N 0.42 -0.04 0.00 -0.69 0.87 0.12 -3.47 113.55 110.75 1b8q h SER 49 Ca 0.15 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1b8q h SER 49 Cb 0.09 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1b8q h SER 49 CO -0.04 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 1b8q n GLY 50 N -1.24 2.79 0.58 5.77 0.00 -0.60 -4.76 105.19 107.73 1b8q n GLY 50 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 2.20 -4.75 0.99 -0.00 -1.26 -4.04 117.00 110.14 1b8q n LEU 51 Ca 0.00 -0.80 -0.36 0.00 -0.00 0.00 0.00 56.01 54.85 1b8q n LEU 51 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1b8q n LEU 51 CO 0.00 0.40 -0.25 -0.63 -0.00 0.00 0.00 177.39 176.91 1b8q s ILE 52 N -2.38 4.82 0.11 1.47 1.09 -1.26 -4.82 121.20 120.23 1b8q s ILE 52 Ca 0.20 -0.05 -0.17 0.00 -1.10 0.00 0.00 60.65 59.53 1b8q s ILE 52 Cb 0.18 -3.07 0.04 0.00 -1.06 0.00 0.00 42.46 38.55 1b8q s ILE 52 CO 0.52 0.60 0.43 -1.10 -0.10 0.00 0.00 174.94 175.29 1b8q s GLN 53 N -0.80 1.07 -0.01 2.79 1.11 -1.26 -4.44 119.66 118.12 1b8q s GLN 53 Ca 0.13 -0.61 -0.30 0.00 0.01 0.00 0.00 55.36 54.59 1b8q s GLN 53 Cb -0.12 0.47 -0.05 0.00 -1.01 0.00 0.00 33.01 32.31 1b8q s GLN 53 CO 0.03 -0.42 1.37 0.00 0.01 0.00 0.00 175.29 176.28 1b8q s ALA 54 N -3.54 3.57 -0.48 6.09 0.00 -1.26 -2.19 121.76 123.94 1b8q s ALA 54 Ca 0.01 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1b8q s ALA 54 Cb 0.01 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1b8q s ALA 54 CO -0.10 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1b8q n GLY 55 N 3.60 0.67 0.00 0.00 0.00 0.28 -4.88 105.19 104.86 1b8q n GLY 55 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.03 0.00 -3.55 1.61 9.92 -0.93 -4.90 116.55 118.67 1b8q n ASP 56 Ca -0.05 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.09 1b8q n ASP 56 Cb 0.27 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.64 1b8q n ASP 56 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1b8q s ILE 57 N 0.00 -0.50 -0.30 0.53 -1.09 -1.26 -4.96 121.20 113.62 1b8q s ILE 57 Ca 0.00 0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.47 1b8q s ILE 57 Cb 0.00 -0.63 0.17 0.00 -1.58 0.00 0.00 42.46 40.42 1b8q s ILE 57 CO 0.00 -0.01 0.64 -0.51 -1.23 0.00 0.00 174.94 173.83 1b8q s ILE 58 N 2.48 -0.98 0.02 2.92 -1.16 -1.26 -4.78 121.20 118.44 1b8q s ILE 58 Ca 0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 1b8q s ILE 58 Cb -0.14 -1.00 -0.00 0.00 0.61 0.00 0.00 42.46 41.93 1b8q s ILE 58 CO -0.12 0.00 -0.02 -0.11 -2.81 0.00 0.00 174.94 171.88 1b8q n LEU 59 N 5.43 0.37 -4.85 8.50 7.94 -1.06 -3.84 117.00 129.49 1b8q n LEU 59 Ca -0.05 0.05 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1b8q n LEU 59 Cb 0.50 -0.18 -0.04 0.00 0.53 0.00 0.00 43.42 44.23 1b8q n LEU 59 CO 0.00 -0.55 -0.13 0.00 -1.11 0.00 0.00 177.39 175.60 1b8q s ALA 60 N -2.17 3.69 -0.20 1.96 0.00 -1.05 -3.46 121.76 120.53 1b8q s ALA 60 Ca -0.01 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.24 1b8q s ALA 60 Cb 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 23.12 21.89 1b8q s ALA 60 CO 0.02 0.21 0.96 0.54 0.00 0.00 0.00 175.76 177.49 1b8q s VAL 61 N -2.14 0.00 -1.76 0.00 0.11 -1.21 -2.15 120.40 113.26 1b8q s VAL 61 Ca 0.35 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.19 1b8q s VAL 61 Cb -0.08 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.96 1b8q s VAL 61 CO 0.26 0.00 0.74 -0.46 -3.33 0.00 0.00 175.10 172.31 1b8q n ASN 62 N 1.48 -2.94 -2.25 3.54 0.23 0.24 0.11 115.26 115.67 1b8q n ASN 62 Ca -0.12 -1.08 -0.20 0.00 -0.53 0.00 0.00 54.58 52.65 1b8q n ASN 62 Cb 0.57 -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 -2.60 -5.54 -4.03 0.53 2.03 -1.26 -4.93 116.55 100.75 1b8q n ASP 63 Ca 0.09 0.10 -0.32 0.00 0.52 0.00 0.00 54.79 55.18 1b8q n ASP 63 Cb 0.48 -4.68 -0.14 0.00 -0.72 0.00 0.00 41.12 36.06 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 -4.79 1.75 -0.87 -0.67 1.81 0.30 -5.04 118.95 111.45 1b8q s ARG 64 Ca 0.00 -2.05 -0.24 0.00 -1.72 0.00 0.00 55.73 51.72 1b8q s ARG 64 Cb 0.00 -3.34 -0.18 0.00 -0.45 0.00 0.00 34.95 30.98 1b8q s ARG 64 CO 0.00 -1.01 2.24 -2.30 -0.68 0.00 0.00 175.30 173.55 1b8q n PRO 65 N 4.06 0.34 -0.94 3.54 -0.02 -1.26 -3.30 135.00 137.42 1b8q n PRO 65 Ca 0.03 -1.05 -0.30 0.00 -2.02 0.00 0.00 63.50 60.17 1b8q n PRO 65 Cb 0.40 -3.50 -0.03 0.00 -0.02 0.00 0.00 33.50 30.36 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 17.76 5.24 0.10 2.45 4.77 -1.22 -4.01 117.00 142.08 1b8q n LEU 66 Ca 0.45 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1b8q n LEU 66 Cb 0.43 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1b8q n LEU 66 CO 0.59 0.57 0.00 1.33 -1.33 0.00 0.00 177.39 178.56 1b8q n VAL 67 N 4.60 0.01 -1.38 4.08 0.24 -1.26 -4.39 118.33 120.23 1b8q n VAL 67 Ca 0.49 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.77 1b8q n VAL 67 Cb 0.22 -0.34 0.21 0.00 -1.47 0.00 0.00 33.84 32.45 1b8q n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1b8q n ASP 68 N -3.14 2.67 -4.76 -1.34 -0.08 -1.26 -3.47 116.55 105.18 1b8q n ASP 68 Ca 0.00 -3.67 -0.31 0.00 -1.51 0.00 0.00 54.79 49.30 1b8q n ASP 68 Cb 0.00 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 42.76 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1b8q s LEU 69 N -3.19 2.49 -0.63 -2.67 2.34 -1.26 -5.04 118.68 110.72 1b8q s LEU 69 Ca 0.44 -1.52 -0.26 0.00 0.06 0.00 0.00 54.13 52.86 1b8q s LEU 69 Cb 0.40 -0.87 -0.03 0.00 -0.56 0.00 0.00 46.19 45.12 1b8q s LEU 69 CO 0.01 -0.81 1.97 -0.44 -1.06 0.00 0.00 176.35 176.02 1b8q s SER 70 N -3.92 5.09 0.21 1.48 0.01 -1.26 -4.84 113.70 110.47 1b8q s SER 70 Ca 0.16 0.34 -0.21 0.00 1.31 0.00 0.00 55.95 57.55 1b8q s SER 70 Cb 0.02 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.87 1b8q s SER 70 CO 0.09 -2.53 1.55 0.22 0.41 0.00 0.00 173.24 172.98 1b8q h TYR 71 N 15.26 -1.28 -0.26 2.43 3.20 -1.92 0.99 116.97 135.40 1b8q h TYR 71 Ca -0.21 0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.82 1b8q h TYR 71 Cb 1.16 0.69 -0.01 0.00 1.54 0.00 0.00 36.73 40.11 1b8q h TYR 71 CO 1.05 -0.40 0.18 0.38 -1.64 0.00 0.00 178.16 177.73 1b8q h ASP 72 N -0.03 0.10 -0.01 -2.11 3.04 -1.95 0.11 116.42 115.56 1b8q h ASP 72 Ca 0.28 -0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.91 1b8q h ASP 72 Cb 0.55 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 38.83 1b8q h ASP 72 CO -0.93 0.06 -0.64 -1.28 -2.04 0.00 0.00 179.24 174.41 1b8q h SER 73 N 0.11 0.59 -0.88 4.15 0.87 0.42 -1.39 113.55 117.42 1b8q h SER 73 Ca 0.12 -0.74 0.01 0.00 -1.23 0.00 0.00 61.79 59.94 1b8q h SER 73 Cb 0.33 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1b8q h SER 73 CO -0.01 1.25 0.57 0.00 -0.53 0.00 0.00 176.83 178.11 1b8q h ALA 74 N 0.35 1.34 -0.00 6.23 0.00 0.48 0.16 119.26 127.82 1b8q h ALA 74 Ca -0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1b8q h ALA 74 Cb 1.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1b8q h ALA 74 CO 0.13 0.60 -0.43 -0.07 0.00 0.00 0.00 179.25 179.48 1b8q h LEU 75 N 1.21 0.01 -0.16 0.00 3.38 -0.80 -2.33 115.31 116.62 1b8q h LEU 75 Ca 0.32 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.07 1b8q h LEU 75 Cb -0.12 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1b8q h LEU 75 CO -0.07 0.44 -0.77 -0.33 0.09 0.00 0.00 178.44 177.80 1b8q h GLU 76 N 0.01 0.81 -0.71 1.13 5.08 0.14 0.31 114.58 121.35 1b8q h GLU 76 Ca -0.00 -0.65 0.01 0.00 -1.00 0.00 0.00 59.36 57.71 1b8q h GLU 76 Cb 0.76 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1b8q h GLU 76 CO 0.06 1.26 0.47 0.28 -1.00 0.00 0.00 179.01 180.08 1b8q h VAL 77 N 0.56 1.18 0.00 3.13 2.07 -0.52 -0.50 116.25 122.16 1b8q h VAL 77 Ca -0.05 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1b8q h VAL 77 Cb 1.40 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1b8q h VAL 77 CO 0.16 0.17 -0.46 0.17 0.02 0.00 0.00 177.57 177.64 1b8q h LEU 78 N 0.96 0.00 -0.09 2.57 8.10 -1.38 -3.30 115.31 122.16 1b8q h LEU 78 Ca 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.23 1b8q h LEU 78 Cb -0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.12 1b8q h LEU 78 CO -0.06 0.46 -0.02 0.03 -4.11 0.00 0.00 178.44 174.74 1b8q h ARG 79 N 0.00 0.18 -0.20 0.17 -0.00 0.52 -2.79 114.38 112.26 1b8q h ARG 79 Ca -0.00 -0.07 0.06 0.00 -0.50 0.00 0.00 59.98 59.47 1b8q h ARG 79 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.27 1b8q h ARG 79 CO 0.06 0.49 0.39 0.78 0.00 0.00 0.00 179.97 181.70 1b8q h GLY 80 N -0.15 0.00 -6.50 0.04 0.00 -1.20 -3.42 103.07 91.85 1b8q h GLY 80 Ca 0.02 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.70 1b8q h GLY 80 CO 0.01 0.00 1.25 1.39 0.00 0.00 0.00 176.54 179.19 1b8q n ILE 81 N -3.30 0.35 -0.05 2.60 5.41 -1.05 -4.95 119.36 118.37 1b8q n ILE 81 Ca 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1b8q n ILE 81 Cb 0.50 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 8.37 0.00 -2.60 -1.39 0.00 -1.26 -4.71 120.51 118.92 1b8q n ALA 82 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1b8q n ALA 82 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.73 1b8q n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1b8q n SER 83 N -2.30 0.40 -2.53 0.00 7.64 -1.26 -4.48 113.62 111.09 1b8q n SER 83 Ca 0.00 -1.31 -0.07 0.00 1.01 0.00 0.00 58.87 58.50 1b8q n SER 83 Cb 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1b8q n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1b8q n GLU 84 N -1.39 -2.64 -4.39 1.43 4.07 -1.26 -4.90 120.64 111.56 1b8q n GLU 84 Ca 0.04 0.29 -0.21 0.00 -0.06 0.00 0.00 57.16 57.21 1b8q n GLU 84 Cb 0.14 -4.84 -0.10 0.00 -0.06 0.00 0.00 31.44 26.58 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1b8q s THR 85 N -2.32 2.05 0.53 6.31 -1.32 -1.26 -5.06 115.64 114.57 1b8q s THR 85 Ca 0.03 -2.24 0.09 0.00 -1.21 0.00 0.00 61.69 58.36 1b8q s THR 85 Cb -0.01 -2.12 0.07 0.00 -1.51 0.00 0.00 72.50 68.92 1b8q s THR 85 CO 0.03 -0.47 0.72 -1.00 -2.21 0.00 0.00 174.62 171.69 1b8q s HIS 86 N -2.63 1.76 -0.02 9.09 3.76 -1.26 -2.61 115.29 123.37 1b8q s HIS 86 Ca 0.24 -0.65 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 1b8q s HIS 86 Cb -0.03 -2.24 0.04 0.00 1.11 0.00 0.00 32.58 31.46 1b8q s HIS 86 CO 0.10 -0.94 0.43 0.54 -0.85 0.00 0.00 174.74 174.02 1b8q s VAL 87 N -2.59 0.04 0.21 -0.90 0.11 0.43 -4.71 120.40 112.98 1b8q s VAL 87 Ca 0.59 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1b8q s VAL 87 Cb -0.07 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1b8q s VAL 87 CO 0.37 -0.18 0.01 -0.69 -3.33 0.00 0.00 175.10 171.28 1b8q s VAL 88 N -1.30 3.66 0.24 2.04 1.01 -1.26 0.32 120.40 125.10 1b8q s VAL 88 Ca -0.13 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.11 1b8q s VAL 88 Cb -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1b8q s VAL 88 CO 0.06 -0.22 0.49 -1.48 0.00 0.00 0.00 175.10 173.95 1b8q s LEU 89 N -3.26 0.30 -0.04 3.92 2.34 0.13 0.83 118.68 122.90 1b8q s LEU 89 Ca 0.29 -0.84 0.00 0.00 0.06 0.00 0.00 54.13 53.64 1b8q s LEU 89 Cb -0.08 1.84 0.03 0.00 -0.56 0.00 0.00 46.19 47.41 1b8q s LEU 89 CO 0.19 -1.12 -0.01 -0.63 -1.06 0.00 0.00 176.35 173.72 1b8q s ILE 90 N -3.99 0.28 0.17 1.48 -1.09 -0.91 0.15 121.20 117.30 1b8q s ILE 90 Ca 0.19 0.04 -0.20 0.00 -2.23 0.00 0.00 60.65 58.45 1b8q s ILE 90 Cb -0.01 -0.37 -0.08 0.00 -1.58 0.00 0.00 42.46 40.42 1b8q s ILE 90 CO 0.06 0.18 0.69 -0.76 -1.23 0.00 0.00 174.94 173.88 1b8q s LEU 91 N 1.12 4.44 0.23 2.97 1.43 0.10 -2.51 118.68 126.45 1b8q s LEU 91 Ca -0.08 1.40 0.09 0.00 -1.03 0.00 0.00 54.13 54.51 1b8q s LEU 91 Cb -0.14 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1b8q s LEU 91 CO -0.02 0.13 -0.05 0.00 0.23 0.00 0.00 176.35 176.65 1b8q s ARG 92 N -1.61 2.19 0.00 1.70 1.04 -1.26 -1.67 118.95 119.34 1b8q s ARG 92 Ca 0.38 -1.35 0.00 0.00 -1.04 0.00 0.00 55.73 53.72 1b8q s ARG 92 Cb -0.18 -2.16 0.00 0.00 -2.04 0.00 0.00 34.95 30.57 1b8q s ARG 92 CO 0.22 0.40 0.00 0.41 -0.04 0.00 0.00 175.30 176.28 1b8q n GLY 93 N -0.47 -0.60 0.00 3.88 0.00 0.86 -4.56 105.19 104.31 1b8q n GLY 93 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 94 N 0.00 1.53 -2.67 1.61 -0.02 -1.25 -4.79 135.00 129.41 1b8q n PRO 94 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1b8q n PRO 94 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 1b8q n PRO 94 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1b8q n GLU 95 N 0.00 0.65 -1.10 -0.52 0.28 -1.26 -4.54 120.64 114.15 1b8q n GLU 95 Ca 0.00 -1.35 -0.03 0.00 -0.16 0.00 0.00 57.16 55.62 1b8q n GLU 95 Cb 0.00 1.64 -0.01 0.00 1.43 0.00 0.00 31.44 34.50 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 -0.32 0.64 3.36 -1.84 0.00 -1.26 -5.00 105.19 100.77 1b8q n GLY 96 Ca -0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.04 -0.48 -0.30 1.61 0.40 -1.26 -2.23 117.98 113.69 1b8q s PHE 97 Ca 0.00 1.10 -0.15 0.00 -0.60 0.00 0.00 56.93 57.28 1b8q s PHE 97 Cb 0.00 0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.68 1b8q s PHE 97 CO 0.00 -0.30 0.37 0.95 0.70 0.00 0.00 175.22 176.95 1b8q s THR 98 N -0.10 5.16 -0.60 0.64 -4.23 0.28 -4.75 115.64 112.04 1b8q s THR 98 Ca -0.03 0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1b8q s THR 98 Cb -0.03 -3.75 0.16 0.00 1.34 0.00 0.00 72.50 70.21 1b8q s THR 98 CO 0.02 0.05 0.42 0.28 -0.54 0.00 0.00 174.62 174.85 1b8q s THR 99 N 2.07 3.80 0.00 3.99 -1.32 -1.24 -0.24 115.64 122.70 1b8q s THR 99 Ca 0.14 -2.75 0.00 0.00 -1.21 0.00 0.00 61.69 57.86 1b8q s THR 99 Cb -0.16 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 1b8q s THR 99 CO 0.11 -0.86 0.00 1.57 -2.21 0.00 0.00 174.62 173.23 1b8q n HIS 100 N 3.73 -0.24 -5.11 9.09 -0.00 -0.84 -4.72 115.22 117.13 1b8q n HIS 100 Ca 0.06 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.93 1b8q n HIS 100 Cb 0.39 0.00 -0.15 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 2.27 0.00 0.27 -0.00 -1.26 -2.98 118.68 116.98 1b8q s LEU 101 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 54.13 53.72 1b8q s LEU 101 Cb 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 46.19 44.79 1b8q s LEU 101 CO 0.00 0.31 0.00 1.21 -0.00 0.00 0.00 176.35 177.87 1b8q n GLU 102 N 2.26 0.00 0.00 1.48 2.13 0.31 -4.78 120.64 122.03 1b8q n GLU 102 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1b8q n GLU 102 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1b8q n GLU 102 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1b8q n THR 103 N -0.09 0.00 -3.55 6.31 5.66 -1.26 -3.60 114.28 117.75 1b8q n THR 103 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1b8q n THR 103 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 0.00 0.00 1.27 1.09 -4.23 -1.24 -3.80 115.64 108.73 1b8q s THR 104 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1b8q s THR 104 Cb 0.00 -1.00 0.31 0.00 1.34 0.00 0.00 72.50 73.15 1b8q s THR 104 CO 0.00 0.00 1.00 0.72 -0.54 0.00 0.00 174.62 175.80 1b8q s PHE 105 N -0.80 0.47 0.00 3.99 -0.71 -1.26 -4.40 117.98 115.28 1b8q s PHE 105 Ca -0.07 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1b8q s PHE 105 Cb -0.01 -3.08 0.00 0.00 -1.21 0.00 0.00 43.02 38.72 1b8q s PHE 105 CO 0.07 -4.28 0.00 -2.37 -1.34 0.00 0.00 175.22 167.30 1b8q n THR 106 N -5.15 0.00 0.23 -4.49 5.66 -1.26 -4.83 114.28 104.44 1b8q n THR 106 Ca 0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 1b8q n THR 106 Cb 0.58 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.28 1b8q n THR 106 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1b8q h GLY 107 N 0.00 -0.64 -3.76 1.09 0.00 -2.02 -3.43 103.07 94.31 1b8q h GLY 107 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 1b8q h GLY 107 CO 0.00 -0.23 -0.24 2.09 0.00 0.00 0.00 176.54 178.16 1b8q n ASP 108 N -5.23 -1.13 -2.21 0.19 5.75 -1.26 -5.02 116.55 107.65 1b8q n ASP 108 Ca -0.10 -1.94 -0.07 0.00 -0.01 0.00 0.00 54.79 52.67 1b8q n ASP 108 Cb 0.30 0.48 0.03 0.00 -1.03 0.00 0.00 41.12 40.90 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b8q n GLY 109 N -0.89 0.02 0.64 6.12 0.00 -1.26 -5.03 105.19 104.79 1b8q n GLY 109 Ca -0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 0.54 -0.01 2.61 -1.04 -1.26 -4.85 114.28 107.97 1b8q n THR 110 Ca -0.06 0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1b8q n THR 110 Cb 0.56 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 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 -0.16 -0.31 -1.77 -2.82 0.11 -1.91 -3.37 132.00 121.77 1b8q h PRO 111 Ca 0.00 0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.31 1b8q h PRO 111 Cb 0.16 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 31.24 1b8q h PRO 111 CO 0.00 -0.21 -0.64 1.63 -0.21 0.00 0.00 178.00 178.57 1b8q n LYS 112 N -4.18 -1.69 0.08 1.05 5.02 -1.26 -4.20 118.16 112.98 1b8q n LYS 112 Ca -0.03 1.38 0.14 0.00 -2.02 0.00 0.00 58.31 57.78 1b8q n LYS 112 Cb 0.21 -1.97 0.64 0.00 -0.02 0.00 0.00 35.03 33.89 1b8q n LYS 112 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1b8q h THR 113 N -0.72 0.86 -3.02 -0.18 2.02 -1.70 -3.31 112.91 106.87 1b8q h THR 113 Ca -0.10 -0.02 -0.71 0.00 0.77 0.00 0.00 66.41 66.35 1b8q h THR 113 Cb 0.70 0.78 -0.20 0.00 -1.74 0.00 0.00 68.15 67.69 1b8q h THR 113 CO 0.04 0.01 0.02 -0.51 0.37 0.00 0.00 175.52 175.46 1b8q s ILE 114 N -5.10 4.91 -0.40 3.11 -1.16 -1.26 0.11 121.20 121.43 1b8q s ILE 114 Ca -0.05 -0.99 0.08 0.00 -0.51 0.00 0.00 60.65 59.17 1b8q s ILE 114 Cb 0.19 -4.41 0.18 0.00 0.61 0.00 0.00 42.46 39.03 1b8q s ILE 114 CO 0.71 -1.00 0.63 -0.60 -2.81 0.00 0.00 174.94 171.87 1b8q s ARG 115 N 2.45 0.79 -0.42 3.50 3.00 -1.16 -4.04 118.95 123.07 1b8q s ARG 115 Ca 0.10 -0.17 0.07 0.00 -1.00 0.00 0.00 55.73 54.72 1b8q s ARG 115 Cb -0.24 0.11 0.33 0.00 0.00 0.00 0.00 34.95 35.15 1b8q s ARG 115 CO 0.07 -1.17 1.23 0.28 0.00 0.00 0.00 175.30 175.71 1b8q n VAL 116 N 4.52 0.00 -2.59 7.11 0.31 -1.23 -4.22 118.33 122.23 1b8q n VAL 116 Ca 0.10 -1.37 -0.42 0.00 -0.01 0.00 0.00 64.34 62.64 1b8q n VAL 116 Cb 0.57 1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 34.68 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 0.21 4.54 -0.03 2.52 2.01 -1.23 -1.98 115.64 121.69 1b8q s THR 117 Ca 0.21 1.83 -0.01 0.00 0.31 0.00 0.00 61.69 64.02 1b8q s THR 117 Cb 0.32 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1b8q s THR 117 CO -0.08 0.11 0.06 0.00 -0.69 0.00 0.00 174.62 174.03 1b8q s GLN 118 N 1.26 0.03 0.31 4.92 1.03 0.67 -4.88 119.66 123.00 1b8q s GLN 118 Ca 0.54 0.18 -0.29 0.00 0.04 0.00 0.00 55.36 55.83 1b8q s GLN 118 Cb -0.24 -0.12 -0.10 0.00 0.03 0.00 0.00 33.01 32.58 1b8q s GLN 118 CO 0.27 -0.10 1.37 -1.25 -2.54 0.00 0.00 175.29 173.03 1b8q s PRO 119 N 0.67 4.30 0.00 9.60 0.04 -1.26 0.99 135.00 149.34 1b8q s PRO 119 Ca -0.05 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1b8q s PRO 119 Cb -0.08 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1b8q s PRO 119 CO -0.02 -0.30 0.00 1.28 0.04 0.00 0.00 177.00 178.00 1b8q n LEU 120 N 1.22 0.05 -2.41 -3.56 4.77 -0.95 -4.85 117.00 111.28 1b8q n LEU 120 Ca 0.02 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1b8q n LEU 120 Cb 0.41 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1b8q n LEU 120 CO 0.60 -0.49 0.09 0.61 -1.33 0.00 0.00 177.39 176.88 1b8q n GLY 121 N 1.83 -1.04 0.21 -0.72 0.00 -1.26 -4.95 105.19 99.27 1b8q n GLY 121 Ca 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 1b8q n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b8q h PRO 122 N 0.99 0.54 -5.29 1.61 0.11 -1.99 -3.41 132.00 124.56 1b8q h PRO 122 Ca 0.00 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.69 1b8q h PRO 122 Cb 0.75 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 1b8q h PRO 122 CO 0.15 0.35 1.48 -2.30 -0.21 0.00 0.00 178.00 177.48 1b8q n PRO 123 N -4.85 0.49 -2.67 1.05 -0.02 -1.26 -4.60 135.00 123.15 1b8q n PRO 123 Ca 0.05 -0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.36 1b8q n PRO 123 Cb 0.13 -2.54 0.11 0.00 -0.02 0.00 0.00 33.50 31.18 1b8q n PRO 123 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1b8q n THR 124 N 7.65 0.00 -4.25 3.45 5.66 -1.26 -5.17 114.28 120.36 1b8q n THR 124 Ca 0.52 -0.72 -0.18 0.00 -3.05 0.00 0.00 64.05 60.63 1b8q n THR 124 Cb 0.31 1.09 -0.08 0.00 -1.55 0.00 0.00 70.33 70.10 1b8q n THR 124 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1b8q s LYS 125 N 0.06 1.70 -1.78 1.09 -2.85 -1.26 -4.84 119.74 111.86 1b8q s LYS 125 Ca 0.20 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.24 1b8q s LYS 125 Cb 0.29 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 1b8q s LYS 125 CO -0.19 -0.64 0.00 0.00 0.10 0.00 0.00 175.35 174.63 1b8q n ALA 126 N -0.57 -0.26 1.77 0.59 0.00 -1.26 -5.30 120.51 115.49 1b8q n ALA 126 Ca 0.06 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1b8q n ALA 126 Cb 0.63 -1.89 0.75 0.00 0.00 0.00 0.00 19.45 18.94 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83