#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q n SER 2 N 0.00 0.00 -3.80 1.61 2.88 -1.26 -5.15 113.62 107.90 1b8q n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1b8q n SER 2 Cb 0.00 0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 1b8q n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1b8q s HIS 3 N -1.85 -0.13 0.00 0.66 0.09 -1.26 -5.11 115.29 107.70 1b8q s HIS 3 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 55.06 55.30 1b8q s HIS 3 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 32.58 32.63 1b8q s HIS 3 CO 0.00 -0.29 0.00 -1.33 -0.00 0.00 0.00 174.74 173.12 1b8q n MET 4 N 1.74 0.00 0.00 1.40 2.00 -1.26 -5.04 117.12 115.96 1b8q n MET 4 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1b8q n MET 4 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.51 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 -1.67 0.00 -3.52 2.02 0.13 -1.26 -4.82 119.36 110.24 1b8q n ILE 5 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.56 1b8q n ILE 5 Cb 0.00 -1.59 -0.03 0.00 -0.84 0.00 0.00 39.64 37.18 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1b8q s GLU 6 N 0.16 0.77 0.00 9.51 2.02 -1.26 -5.02 118.70 124.89 1b8q s GLU 6 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1b8q s GLU 6 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1b8q s GLU 6 CO 0.00 -0.32 0.00 -2.30 0.02 0.00 0.00 175.26 172.66 1b8q n PRO 7 N -0.02 0.36 -2.58 0.39 -0.02 -1.26 -4.37 135.00 127.50 1b8q n PRO 7 Ca -0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.36 1b8q n PRO 7 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1b8q n PRO 7 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1b8q n ASN 8 N -0.65 -7.10 -4.68 2.55 4.13 -1.26 -3.93 115.26 104.33 1b8q n ASN 8 Ca 0.00 0.92 -0.42 0.00 1.68 0.00 0.00 54.58 56.75 1b8q n ASN 8 Cb 0.00 -4.71 -0.03 0.00 -1.54 0.00 0.00 39.78 33.50 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 -1.78 4.78 0.47 2.41 0.11 -1.26 -4.03 120.40 121.10 1b8q s VAL 9 Ca 0.09 1.95 -0.05 0.00 -2.93 0.00 0.00 61.98 61.04 1b8q s VAL 9 Cb -0.02 -4.27 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 1b8q s VAL 9 CO 0.66 -0.04 0.76 -0.51 -3.33 0.00 0.00 175.10 172.64 1b8q s ILE 10 N 2.38 4.86 0.25 7.04 1.10 -0.17 -4.89 121.20 131.77 1b8q s ILE 10 Ca 0.45 0.11 0.07 0.00 -0.51 0.00 0.00 60.65 60.77 1b8q s ILE 10 Cb -0.17 -3.84 -0.04 0.00 0.15 0.00 0.00 42.46 38.56 1b8q s ILE 10 CO 0.13 -0.80 0.21 -0.94 -2.11 0.00 0.00 174.94 171.44 1b8q s SER 11 N -4.11 5.61 -0.27 4.50 1.04 -1.26 0.21 113.70 119.41 1b8q s SER 11 Ca 0.47 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.66 1b8q s SER 11 Cb -0.10 -1.45 0.09 0.00 0.10 0.00 0.00 66.02 64.65 1b8q s SER 11 CO 0.44 -0.04 0.08 -0.69 0.98 0.00 0.00 173.24 174.01 1b8q s VAL 12 N -2.11 0.60 -0.57 5.02 1.01 0.21 -4.81 120.40 119.74 1b8q s VAL 12 Ca 0.33 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1b8q s VAL 12 Cb -0.08 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1b8q s VAL 12 CO 0.25 -0.55 1.22 -0.60 0.00 0.00 0.00 175.10 175.43 1b8q s ARG 13 N 1.77 3.50 0.51 2.72 3.52 -1.26 0.79 118.95 130.50 1b8q s ARG 13 Ca 0.06 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 1b8q s ARG 13 Cb -0.17 -4.03 -0.01 0.00 -1.56 0.00 0.00 34.95 29.19 1b8q s ARG 13 CO -0.22 -1.70 0.13 -0.51 -0.81 0.00 0.00 175.30 172.18 1b8q s LEU 14 N 5.09 2.51 0.14 -0.88 1.02 -0.13 -4.92 118.68 121.51 1b8q s LEU 14 Ca 0.45 -1.47 0.10 0.00 0.02 0.00 0.00 54.13 53.22 1b8q s LEU 14 Cb -0.08 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1b8q s LEU 14 CO 0.26 -0.87 -0.19 0.12 0.02 0.00 0.00 176.35 175.68 1b8q s PHE 15 N -2.81 2.49 -0.31 0.29 2.19 -1.26 0.15 117.98 118.71 1b8q s PHE 15 Ca 0.18 -0.29 0.02 0.00 0.33 0.00 0.00 56.93 57.18 1b8q s PHE 15 Cb 0.01 -1.29 0.20 0.00 -1.31 0.00 0.00 43.02 40.63 1b8q s PHE 15 CO 0.11 0.41 1.15 1.63 1.83 0.00 0.00 175.22 180.35 1b8q n LYS 16 N 0.62 1.56 -2.44 10.12 4.76 -1.08 -3.71 118.16 127.99 1b8q n LYS 16 Ca -0.15 -0.87 -0.06 0.00 -2.87 0.00 0.00 58.31 54.37 1b8q n LYS 16 Cb 0.54 -1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1b8q n LYS 16 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1b8q n ARG 17 N 0.07 -2.60 -1.78 1.97 0.00 -1.26 0.15 116.66 113.22 1b8q n ARG 17 Ca 0.15 0.28 -0.03 0.00 -0.00 0.00 0.00 57.85 58.24 1b8q n ARG 17 Cb 0.75 -4.82 -0.01 0.00 0.00 0.00 0.00 32.46 28.39 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 -2.61 -1.92 -1.13 -0.14 0.00 -1.26 -4.41 118.16 106.69 1b8q n LYS 18 Ca -0.07 0.18 -0.04 0.00 -0.00 0.00 0.00 58.31 58.38 1b8q n LYS 18 Cb 0.54 -4.47 -0.02 0.00 -0.00 0.00 0.00 35.03 31.09 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 -1.97 0.00 -3.70 0.58 0.24 -0.06 -4.43 118.33 108.99 1b8q n VAL 19 Ca -0.04 -0.14 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1b8q n VAL 19 Cb 0.32 0.44 0.03 0.00 -1.47 0.00 0.00 33.84 33.15 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 -0.21 -1.05 2.40 7.63 0.00 0.41 -4.95 105.19 109.41 1b8q n GLY 20 Ca -0.17 0.46 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.75 2.41 0.57 -0.02 0.00 -0.57 -4.95 105.19 100.89 1b8q n GLY 21 Ca -0.12 -1.01 0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 3.02 0.00 0.00 0.99 4.07 -1.78 -3.38 115.31 118.23 1b8q h LEU 22 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1b8q h LEU 22 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1b8q h LEU 22 CO 0.35 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.32 1b8q n GLY 23 N -1.76 1.04 3.51 0.83 0.00 -1.26 -0.72 105.19 106.83 1b8q n GLY 23 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 -0.67 0.85 1.61 -0.71 -1.26 0.90 117.98 116.74 1b8q s PHE 24 Ca 0.00 1.62 -0.13 0.00 -1.04 0.00 0.00 56.93 57.38 1b8q s PHE 24 Cb 0.00 0.23 0.11 0.00 -1.21 0.00 0.00 43.02 42.15 1b8q s PHE 24 CO 0.00 -0.33 1.19 -0.51 -1.34 0.00 0.00 175.22 174.23 1b8q s LEU 25 N 0.29 2.44 0.03 -1.99 1.43 0.71 -4.81 118.68 116.79 1b8q s LEU 25 Ca -0.00 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 1b8q s LEU 25 Cb -0.04 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 43.06 1b8q s LEU 25 CO 0.01 -2.13 0.34 0.68 0.23 0.00 0.00 176.35 175.48 1b8q s VAL 26 N -3.57 0.07 -0.21 -1.59 -7.23 -1.26 -2.21 120.40 104.40 1b8q s VAL 26 Ca 0.64 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.19 1b8q s VAL 26 Cb -0.11 -0.90 0.07 0.00 0.56 0.00 0.00 36.38 36.00 1b8q s VAL 26 CO 0.50 -0.32 0.06 -1.59 -0.31 0.00 0.00 175.10 173.44 1b8q s LYS 27 N -2.35 0.51 -0.44 4.82 -2.85 0.23 -4.84 119.74 114.82 1b8q s LYS 27 Ca -0.06 -0.45 -0.17 0.00 -1.00 0.00 0.00 55.97 54.29 1b8q s LYS 27 Cb -0.01 -1.95 0.04 0.00 -2.06 0.00 0.00 37.83 33.84 1b8q s LYS 27 CO -0.02 -0.73 0.44 -2.00 0.10 0.00 0.00 175.35 173.14 1b8q s GLU 28 N 1.90 3.06 -0.18 1.78 -6.30 -1.26 -2.02 118.70 115.68 1b8q s GLU 28 Ca 0.02 -0.92 -0.28 0.00 -2.50 0.00 0.00 54.97 51.29 1b8q s GLU 28 Cb -0.17 -4.02 -0.06 0.00 0.00 0.00 0.00 34.13 29.89 1b8q s GLU 28 CO -0.13 -0.92 2.19 0.54 0.02 0.00 0.00 175.26 176.96 1b8q n ARG 29 N 5.55 2.11 0.21 4.30 1.74 -1.26 -4.80 116.66 124.51 1b8q n ARG 29 Ca -0.09 0.61 0.16 0.00 -0.77 0.00 0.00 57.85 57.77 1b8q n ARG 29 Cb 0.46 -3.21 0.63 0.00 -1.02 0.00 0.00 32.46 29.33 1b8q n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1b8q h VAL 30 N 6.92 0.11 -1.00 1.55 2.07 -1.93 -2.97 116.25 121.00 1b8q h VAL 30 Ca -0.42 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 66.71 1b8q h VAL 30 Cb 1.24 0.49 -0.27 0.00 -1.52 0.00 0.00 31.29 31.24 1b8q h VAL 30 CO 0.96 0.00 -0.80 -0.24 0.02 0.00 0.00 177.57 177.51 1b8q n SER 31 N -3.10 -1.34 -3.62 0.57 2.88 -1.26 -5.00 113.62 102.75 1b8q n SER 31 Ca 0.03 -3.02 0.03 0.00 -1.33 0.00 0.00 58.87 54.58 1b8q n SER 31 Cb 0.66 0.61 0.01 0.00 -0.75 0.00 0.00 64.21 64.74 1b8q n SER 31 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1b8q n LYS 32 N 1.46 0.15 -0.70 -1.46 4.76 -1.13 -5.18 118.16 116.07 1b8q n LYS 32 Ca 0.15 -0.68 -0.21 0.00 -2.87 0.00 0.00 58.31 54.71 1b8q n LYS 32 Cb 0.59 1.14 0.09 0.00 -1.84 0.00 0.00 35.03 35.01 1b8q n LYS 32 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1b8q n PRO 33 N -0.85 -1.20 -0.76 1.97 -0.02 -1.26 -4.76 135.00 128.12 1b8q n PRO 33 Ca 0.04 -0.35 -0.20 0.00 -2.02 0.00 0.00 63.50 60.97 1b8q n PRO 33 Cb 0.53 -1.30 0.07 0.00 -0.02 0.00 0.00 33.50 32.78 1b8q n PRO 33 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1b8q n PRO 34 N -0.10 -0.80 -1.79 0.52 -0.02 -1.26 -4.43 135.00 127.13 1b8q n PRO 34 Ca 0.02 -0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 60.96 1b8q n PRO 34 Cb 0.40 -1.21 0.02 0.00 -0.02 0.00 0.00 33.50 32.69 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 -2.05 4.50 0.14 -1.45 0.11 -0.56 -4.51 120.40 116.59 1b8q s VAL 35 Ca 0.27 0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 60.08 1b8q s VAL 35 Cb 0.00 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1b8q s VAL 35 CO 0.37 -1.06 0.17 -0.51 -3.33 0.00 0.00 175.10 170.74 1b8q s ILE 36 N -3.13 0.09 0.32 7.04 1.10 -0.86 -4.38 121.20 121.39 1b8q s ILE 36 Ca 0.56 -1.59 -0.17 0.00 -0.51 0.00 0.00 60.65 58.94 1b8q s ILE 36 Cb -0.12 -1.86 -0.09 0.00 0.15 0.00 0.00 42.46 40.54 1b8q s ILE 36 CO 0.54 -0.43 0.77 -0.63 -2.11 0.00 0.00 174.94 173.08 1b8q s ILE 37 N -3.99 4.61 -0.04 2.00 1.01 -1.26 0.74 121.20 124.28 1b8q s ILE 37 Ca 0.18 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.93 1b8q s ILE 37 Cb 0.05 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1b8q s ILE 37 CO -0.01 -0.13 -0.03 -1.20 0.00 0.00 0.00 174.94 173.57 1b8q n SER 38 N -0.21 3.79 -3.64 3.58 7.64 -0.94 -2.13 113.62 121.71 1b8q n SER 38 Ca 0.03 -0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.85 1b8q n SER 38 Cb 0.53 0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 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 -4.22 -0.31 -0.22 6.43 -1.08 -1.26 -4.63 116.67 111.39 1b8q s ASP 39 Ca -0.05 0.54 -0.29 0.00 -0.52 0.00 0.00 52.55 52.24 1b8q s ASP 39 Cb 0.01 0.79 -0.03 0.00 -1.46 0.00 0.00 42.92 42.23 1b8q s ASP 39 CO 0.09 -0.09 1.77 -0.76 0.52 0.00 0.00 175.17 176.70 1b8q s LEU 40 N 0.60 3.80 -0.06 -1.34 1.43 -1.26 -0.21 118.68 121.64 1b8q s LEU 40 Ca -0.01 1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.59 1b8q s LEU 40 Cb -0.04 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1b8q s LEU 40 CO -0.12 -1.44 0.75 -0.29 0.23 0.00 0.00 176.35 175.49 1b8q h ILE 41 N 6.38 0.64 0.00 -0.59 6.09 0.20 -3.43 117.51 126.79 1b8q h ILE 41 Ca -0.36 -1.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.08 1b8q h ILE 41 Cb 1.18 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.55 1b8q h ILE 41 CO 1.00 0.17 -0.35 -1.14 -3.07 0.00 0.00 178.15 174.76 1b8q n ARG 42 N -4.95 0.25 0.00 2.19 0.63 -1.22 -4.98 116.66 108.58 1b8q n ARG 42 Ca -0.07 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1b8q n ARG 42 Cb 0.24 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 32.00 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 1.61 1.35 0.00 5.14 0.00 -1.26 -4.99 105.19 107.04 1b8q n GLY 43 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.38 0.00 0.00 -0.02 0.00 -1.26 -4.28 105.19 98.25 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 -1.62 0.00 0.38 4.61 0.00 -1.26 -4.09 120.51 118.53 1b8q n ALA 45 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1b8q n ALA 45 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.98 -0.71 0.00 0.00 -1.22 -2.11 119.26 112.24 1b8q h ALA 46 Ca 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1b8q h ALA 46 Cb 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1b8q h ALA 46 CO 0.00 -1.06 0.17 1.49 0.00 0.00 0.00 179.25 179.86 1b8q h GLU 47 N -0.97 0.27 -0.73 0.00 4.81 -1.81 0.47 114.58 116.62 1b8q h GLU 47 Ca -0.09 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1b8q h GLU 47 Cb 0.76 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1b8q h GLU 47 CO 0.13 0.18 0.48 0.37 -0.73 0.00 0.00 179.01 179.44 1b8q h GLN 48 N 0.28 0.56 -0.14 1.92 4.15 -1.66 -0.70 115.11 119.52 1b8q h GLN 48 Ca 0.40 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.80 1b8q h GLN 48 Cb 0.66 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1b8q h GLN 48 CO -0.48 0.37 0.03 1.03 -1.93 0.00 0.00 178.83 177.84 1b8q h SER 49 N 0.57 0.01 0.00 -0.69 0.87 0.63 -3.47 113.55 111.47 1b8q h SER 49 Ca 0.34 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1b8q h SER 49 Cb 0.56 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1b8q h SER 49 CO -0.12 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.82 1b8q n GLY 50 N -1.15 2.85 0.08 5.77 0.00 -0.27 -4.89 105.19 107.57 1b8q n GLY 50 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.31 -4.54 0.99 -0.00 -1.26 -4.78 117.00 107.71 1b8q n LEU 51 Ca 0.00 0.14 -0.41 0.00 -0.00 0.00 0.00 56.01 55.73 1b8q n LEU 51 Cb 0.00 0.25 -0.03 0.00 -0.00 0.00 0.00 43.42 43.64 1b8q n LEU 51 CO 0.00 0.28 1.17 -0.63 -0.00 0.00 0.00 177.39 178.21 1b8q s ILE 52 N -2.84 3.81 0.10 1.47 1.09 -1.26 -4.76 121.20 118.80 1b8q s ILE 52 Ca -0.07 0.17 0.08 0.00 -1.10 0.00 0.00 60.65 59.74 1b8q s ILE 52 Cb 0.09 -4.92 -0.03 0.00 -1.06 0.00 0.00 42.46 36.54 1b8q s ILE 52 CO 0.84 -1.83 -0.21 -1.10 -0.10 0.00 0.00 174.94 172.54 1b8q s GLN 53 N 5.47 1.19 0.10 2.79 1.11 -1.26 -4.14 119.66 124.92 1b8q s GLN 53 Ca 0.35 -1.15 -0.31 0.00 0.01 0.00 0.00 55.36 54.26 1b8q s GLN 53 Cb -0.08 -1.45 -0.08 0.00 -1.01 0.00 0.00 33.01 30.39 1b8q s GLN 53 CO 0.11 0.34 1.47 0.00 0.01 0.00 0.00 175.29 177.22 1b8q s ALA 54 N -1.10 3.65 0.00 6.09 0.00 -1.26 -1.82 121.76 127.31 1b8q s ALA 54 Ca 0.07 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1b8q s ALA 54 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1b8q s ALA 54 CO 0.04 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1b8q n GLY 55 N 3.64 0.85 0.00 0.00 0.00 -0.90 -4.94 105.19 103.85 1b8q n GLY 55 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.62 1.61 9.92 -0.76 -4.93 116.55 118.77 1b8q n ASP 56 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1b8q n ASP 56 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.31 -0.37 0.53 1.10 -1.26 -4.91 121.20 115.98 1b8q s ILE 57 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 1b8q s ILE 57 Cb 0.00 -1.00 0.15 0.00 0.15 0.00 0.00 42.46 41.76 1b8q s ILE 57 CO 0.00 0.00 0.35 -0.51 -2.11 0.00 0.00 174.94 172.67 1b8q s ILE 58 N 1.99 -0.24 -0.03 2.00 1.10 -1.26 -4.87 121.20 119.88 1b8q s ILE 58 Ca -0.08 -1.14 -0.01 0.00 -0.51 0.00 0.00 60.65 58.91 1b8q s ILE 58 Cb -0.07 -0.74 -0.00 0.00 0.15 0.00 0.00 42.46 41.79 1b8q s ILE 58 CO -0.18 -0.66 0.09 0.25 -2.11 0.00 0.00 174.94 172.32 1b8q h LEU 59 N 7.02 -0.03 -8.51 8.50 5.85 -1.77 -3.34 115.31 123.03 1b8q h LEU 59 Ca 0.06 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.30 1b8q h LEU 59 Cb 1.04 0.01 -0.22 0.00 0.37 0.00 0.00 40.66 41.86 1b8q h LEU 59 CO 0.21 0.12 -0.80 0.00 -0.34 0.00 0.00 178.44 177.62 1b8q s ALA 60 N -2.94 1.43 0.04 1.25 0.00 -1.02 -3.68 121.76 116.83 1b8q s ALA 60 Ca -0.00 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1b8q s ALA 60 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1b8q s ALA 60 CO 0.01 0.25 -0.19 0.08 0.00 0.00 0.00 175.76 175.91 1b8q s VAL 61 N -1.21 1.52 -0.38 0.00 1.01 -1.19 -0.04 120.40 120.11 1b8q s VAL 61 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1b8q s VAL 61 Cb -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1b8q s VAL 61 CO 0.03 0.17 0.00 -0.46 0.00 0.00 0.00 175.10 174.84 1b8q n ASN 62 N 1.91 -1.97 -0.64 3.32 6.94 -0.79 0.18 115.26 124.19 1b8q n ASN 62 Ca -0.17 0.37 -0.06 0.00 -0.02 0.00 0.00 54.58 54.69 1b8q n ASN 62 Cb 0.54 -1.80 -0.01 0.00 -2.36 0.00 0.00 39.78 36.15 1b8q n ASN 62 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1b8q n ASP 63 N -1.45 -2.88 -4.35 0.53 2.03 -0.88 -4.83 116.55 104.72 1b8q n ASP 63 Ca -0.05 0.04 -0.45 0.00 0.52 0.00 0.00 54.79 54.85 1b8q n ASP 63 Cb 0.51 -1.83 -0.06 0.00 -0.72 0.00 0.00 41.12 39.02 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 -3.76 2.98 -1.04 -0.67 3.00 0.47 -5.00 118.95 114.93 1b8q s ARG 64 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 55.73 53.94 1b8q s ARG 64 Cb 0.00 -4.21 -0.20 0.00 0.00 0.00 0.00 34.95 30.53 1b8q s ARG 64 CO 0.00 -1.17 2.16 -1.25 0.00 0.00 0.00 175.30 175.03 1b8q s PRO 65 N 1.62 1.32 -1.38 3.54 0.04 -1.26 -3.20 135.00 135.68 1b8q s PRO 65 Ca 0.04 -0.31 -0.09 0.00 0.04 0.00 0.00 61.00 60.68 1b8q s PRO 65 Cb -0.27 -4.96 0.09 0.00 0.04 0.00 0.00 34.50 29.40 1b8q s PRO 65 CO 0.05 -5.25 2.30 1.28 0.04 0.00 0.00 177.00 175.42 1b8q n LEU 66 N 19.24 7.57 0.02 -3.56 4.77 -1.24 -4.20 117.00 139.60 1b8q n LEU 66 Ca 0.42 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 1b8q n LEU 66 Cb 0.46 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1b8q n LEU 66 CO 0.59 1.72 -0.26 1.33 -1.33 0.00 0.00 177.39 179.44 1b8q n VAL 67 N 3.02 0.23 -1.92 4.08 0.24 -1.26 -1.50 118.33 121.23 1b8q n VAL 67 Ca 0.56 0.08 0.04 0.00 -2.04 0.00 0.00 64.34 62.98 1b8q n VAL 67 Cb 0.30 -1.22 0.06 0.00 -1.47 0.00 0.00 33.84 31.52 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 -3.02 0.99 -4.94 -1.34 8.00 -1.26 -4.18 116.55 110.80 1b8q n ASP 68 Ca 0.00 -2.49 -0.22 0.00 0.71 0.00 0.00 54.79 52.79 1b8q n ASP 68 Cb 0.26 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1b8q s LEU 69 N -1.01 3.09 -0.51 0.64 0.05 -1.26 -5.02 118.68 114.66 1b8q s LEU 69 Ca 0.22 -0.93 -0.27 0.00 0.05 0.00 0.00 54.13 53.20 1b8q s LEU 69 Cb 0.22 -1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 42.64 1b8q s LEU 69 CO -0.06 -1.00 2.04 -0.94 -0.55 0.00 0.00 176.35 175.84 1b8q s SER 70 N -4.34 5.13 0.19 1.48 1.04 -1.26 -4.85 113.70 111.09 1b8q s SER 70 Ca 0.47 0.81 -0.21 0.00 0.48 0.00 0.00 55.95 57.50 1b8q s SER 70 Cb -0.04 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.69 1b8q s SER 70 CO 0.29 -2.40 1.57 0.22 0.98 0.00 0.00 173.24 173.90 1b8q h TYR 71 N 16.03 -1.07 -0.36 5.02 3.20 -1.94 1.05 116.97 138.90 1b8q h TYR 71 Ca -0.27 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 1b8q h TYR 71 Cb 1.20 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 40.02 1b8q h TYR 71 CO 1.00 -0.40 0.19 0.22 -1.64 0.00 0.00 178.16 177.53 1b8q h ASP 72 N -0.13 0.43 -0.13 -2.11 3.58 -1.94 0.92 116.42 117.05 1b8q h ASP 72 Ca 0.25 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.55 1b8q h ASP 72 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1b8q h ASP 72 CO -0.78 0.35 -0.43 -1.28 -2.88 0.00 0.00 179.24 174.23 1b8q h SER 73 N 0.49 0.59 -0.46 2.28 0.87 -0.59 -1.34 113.55 115.40 1b8q h SER 73 Ca 0.13 -0.61 0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1b8q h SER 73 Cb 0.03 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1b8q h SER 73 CO -0.02 1.10 0.29 0.00 -0.53 0.00 0.00 176.83 177.67 1b8q h ALA 74 N 0.51 0.58 -0.01 6.23 0.00 0.15 0.43 119.26 127.16 1b8q h ALA 74 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1b8q h ALA 74 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b8q h ALA 74 CO 0.09 -0.01 -0.28 -0.07 0.00 0.00 0.00 179.25 178.98 1b8q h LEU 75 N 0.58 0.02 -0.09 0.00 3.38 -0.84 -1.87 115.31 116.50 1b8q h LEU 75 Ca 0.18 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1b8q h LEU 75 Cb -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1b8q h LEU 75 CO -0.06 0.31 -0.62 -0.08 0.09 0.00 0.00 178.44 178.08 1b8q h GLU 76 N 0.02 0.57 -0.49 1.13 4.57 -0.09 0.47 114.58 120.77 1b8q h GLU 76 Ca 0.00 -0.50 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1b8q h GLU 76 Cb 0.51 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1b8q h GLU 76 CO 0.04 1.12 0.30 0.28 -1.18 0.00 0.00 179.01 179.57 1b8q h VAL 77 N 0.19 1.14 0.00 0.32 2.07 0.16 -1.59 116.25 118.54 1b8q h VAL 77 Ca -0.05 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1b8q h VAL 77 Cb 1.27 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1b8q h VAL 77 CO 0.13 0.14 -1.03 0.17 0.02 0.00 0.00 177.57 177.00 1b8q h LEU 78 N 0.67 0.00 -0.85 2.57 8.10 -1.29 -3.33 115.31 121.17 1b8q h LEU 78 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.12 1b8q h LEU 78 Cb -0.03 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.15 1b8q h LEU 78 CO -0.03 0.25 0.32 -0.09 -4.11 0.00 0.00 178.44 174.77 1b8q h ARG 79 N 0.00 1.16 -0.06 0.17 9.65 0.92 -1.79 114.38 124.42 1b8q h ARG 79 Ca -0.06 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1b8q h ARG 79 Cb 1.24 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1b8q h ARG 79 CO 0.02 0.93 0.25 0.78 2.80 0.00 0.00 179.97 184.75 1b8q h GLY 80 N 1.15 0.00 -7.06 2.80 0.00 -1.54 -3.41 103.07 95.01 1b8q h GLY 80 Ca 0.26 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.98 1b8q h GLY 80 CO -0.02 0.00 1.49 1.39 0.00 0.00 0.00 176.54 179.39 1b8q n ILE 81 N -3.15 0.20 0.00 2.60 5.41 -0.67 -4.93 119.36 118.82 1b8q n ILE 81 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1b8q n ILE 81 Cb 0.32 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1b8q n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b8q n ALA 82 N 11.24 0.00 -2.69 -1.39 0.00 -1.26 -4.80 120.51 121.61 1b8q n ALA 82 Ca 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.76 1b8q n ALA 82 Cb 0.33 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.98 0.40 -2.72 0.00 7.64 -1.26 -4.49 113.62 111.22 1b8q n SER 83 Ca 0.00 -1.31 -0.09 0.00 1.01 0.00 0.00 58.87 58.48 1b8q n SER 83 Cb 0.00 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1b8q n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b8q n GLU 84 N -1.35 -2.66 -4.40 1.43 -0.58 -1.26 -4.89 120.64 106.92 1b8q n GLU 84 Ca 0.04 0.21 -0.21 0.00 -0.42 0.00 0.00 57.16 56.78 1b8q n GLU 84 Cb 0.14 -4.77 -0.10 0.00 -0.57 0.00 0.00 31.44 26.14 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 -2.34 1.95 0.57 2.62 -1.32 -1.26 -5.04 115.64 110.81 1b8q s THR 85 Ca 0.10 -2.25 0.08 0.00 -1.21 0.00 0.00 61.69 58.40 1b8q s THR 85 Cb -0.06 -2.20 0.08 0.00 -1.51 0.00 0.00 72.50 68.81 1b8q s THR 85 CO 0.12 -0.48 0.78 -1.00 -2.21 0.00 0.00 174.62 171.83 1b8q s HIS 86 N -2.84 1.72 0.06 9.09 3.76 -1.26 -2.65 115.29 123.17 1b8q s HIS 86 Ca 0.26 -0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 54.51 1b8q s HIS 86 Cb -0.01 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 1b8q s HIS 86 CO 0.10 -1.09 0.15 0.54 -0.85 0.00 0.00 174.74 173.58 1b8q s VAL 87 N -2.68 0.14 -0.31 -0.90 0.11 0.40 -4.70 120.40 112.46 1b8q s VAL 87 Ca 0.61 -1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1b8q s VAL 87 Cb -0.07 -1.14 0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1b8q s VAL 87 CO 0.39 -0.63 0.11 -0.69 -3.33 0.00 0.00 175.10 170.95 1b8q s VAL 88 N -3.22 0.74 0.91 2.04 1.01 -1.26 -0.95 120.40 119.66 1b8q s VAL 88 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1b8q s VAL 88 Cb 0.02 -1.56 0.16 0.00 0.00 0.00 0.00 36.38 35.00 1b8q s VAL 88 CO -0.07 -0.70 1.27 -0.76 0.00 0.00 0.00 175.10 174.83 1b8q s LEU 89 N 1.62 2.68 -0.03 3.92 1.02 0.24 -1.89 118.68 126.23 1b8q s LEU 89 Ca 0.10 0.37 -0.01 0.00 0.02 0.00 0.00 54.13 54.61 1b8q s LEU 89 Cb -0.18 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.52 1b8q s LEU 89 CO -0.25 -2.46 0.05 -0.63 0.02 0.00 0.00 176.35 173.08 1b8q s ILE 90 N -3.76 -0.09 0.39 -0.59 -1.09 0.95 0.64 121.20 117.64 1b8q s ILE 90 Ca 0.70 0.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1b8q s ILE 90 Cb -0.06 -0.13 -0.03 0.00 -1.58 0.00 0.00 42.46 40.66 1b8q s ILE 90 CO 0.51 0.13 0.12 -0.76 -1.23 0.00 0.00 174.94 173.72 1b8q s LEU 91 N 1.63 1.99 1.00 2.97 1.43 0.13 -2.43 118.68 125.39 1b8q s LEU 91 Ca -0.02 -1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 51.29 1b8q s LEU 91 Cb -0.12 -0.11 0.20 0.00 0.03 0.00 0.00 46.19 46.18 1b8q s LEU 91 CO -0.03 -0.89 1.21 -0.13 0.23 0.00 0.00 176.35 176.73 1b8q s ARG 92 N -3.74 0.40 0.00 1.70 3.00 -1.26 -1.00 118.95 118.05 1b8q s ARG 92 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 55.73 55.91 1b8q s ARG 92 Cb 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 34.95 33.20 1b8q s ARG 92 CO 0.15 -2.63 0.00 0.41 0.00 0.00 0.00 175.30 173.23 1b8q n GLY 93 N -2.57 3.04 0.00 -3.53 0.00 -1.26 -4.34 105.19 96.54 1b8q n GLY 93 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.86 -0.97 -4.24 1.61 -0.02 -1.26 -4.32 135.00 124.93 1b8q n PRO 94 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1b8q n PRO 94 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1b8q s GLU 95 N -2.14 1.02 -0.46 -0.52 -1.05 -1.25 -4.27 118.70 110.03 1b8q s GLU 95 Ca 0.00 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 1b8q s GLU 95 Cb 0.00 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.66 1b8q s GLU 95 CO 0.00 0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.84 1b8q n GLY 96 N 0.80 0.70 3.50 -3.83 0.00 -1.26 -4.99 105.19 100.11 1b8q n GLY 96 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.05 -0.64 -0.42 1.61 0.40 -1.26 -3.24 117.98 112.38 1b8q s PHE 97 Ca 0.00 1.48 -0.25 0.00 -0.60 0.00 0.00 56.93 57.56 1b8q s PHE 97 Cb 0.00 0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.80 1b8q s PHE 97 CO 0.00 -0.37 0.88 0.95 0.70 0.00 0.00 175.22 177.38 1b8q s THR 98 N -0.01 4.57 -0.82 0.64 -4.23 0.23 -4.55 115.64 111.47 1b8q s THR 98 Ca -0.02 0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 61.13 1b8q s THR 98 Cb -0.04 -4.36 0.12 0.00 1.34 0.00 0.00 72.50 69.56 1b8q s THR 98 CO 0.02 -0.68 1.02 0.28 -0.54 0.00 0.00 174.62 174.72 1b8q s THR 99 N 3.52 4.69 0.00 3.99 -1.32 -1.24 -0.89 115.64 124.39 1b8q s THR 99 Ca 0.35 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1b8q s THR 99 Cb -0.11 -4.71 0.00 0.00 -1.51 0.00 0.00 72.50 66.17 1b8q s THR 99 CO 0.22 -1.43 0.00 1.41 -2.21 0.00 0.00 174.62 172.62 1b8q n HIS 100 N 6.65 0.00 -3.31 9.09 8.25 -0.31 -4.64 115.22 130.94 1b8q n HIS 100 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.61 1b8q n HIS 100 Cb 0.47 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 1b8q n HIS 100 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1b8q s LEU 101 N 0.00 -0.35 0.00 2.41 2.34 -1.26 -4.70 118.68 117.12 1b8q s LEU 101 Ca 0.00 0.48 0.00 0.00 0.06 0.00 0.00 54.13 54.67 1b8q s LEU 101 Cb 0.00 1.40 0.00 0.00 -0.56 0.00 0.00 46.19 47.03 1b8q s LEU 101 CO 0.00 -0.07 0.00 1.21 -1.06 0.00 0.00 176.35 176.43 1b8q n GLU 102 N 4.75 -0.34 -0.76 1.48 4.07 -1.18 -4.81 120.64 123.85 1b8q n GLU 102 Ca -0.08 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.12 1b8q n GLU 102 Cb 0.54 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.89 1b8q n GLU 102 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1b8q n THR 103 N -0.52 0.00 -2.95 6.31 -1.04 -1.24 -0.68 114.28 114.17 1b8q n THR 103 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1b8q n THR 103 Cb 0.00 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1b8q n THR 103 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1b8q n THR 104 N -3.09 0.00 -4.21 12.58 -2.24 -1.26 -4.18 114.28 111.87 1b8q n THR 104 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1b8q n THR 104 Cb 0.35 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 1b8q n THR 104 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1b8q s PHE 105 N 1.03 1.10 -0.20 4.78 -0.12 -1.26 -3.30 117.98 120.01 1b8q s PHE 105 Ca 0.00 -1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 55.53 1b8q s PHE 105 Cb 0.00 -0.63 0.15 0.00 -0.63 0.00 0.00 43.02 41.91 1b8q s PHE 105 CO 0.00 -0.27 1.11 0.95 -0.05 0.00 0.00 175.22 176.96 1b8q s THR 106 N -3.73 0.00 -0.15 -4.49 -4.23 -1.26 -4.91 115.64 96.87 1b8q s THR 106 Ca 0.22 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1b8q s THR 106 Cb 0.06 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.90 1b8q s THR 106 CO 0.02 0.00 0.13 0.61 -0.54 0.00 0.00 174.62 174.84 1b8q n GLY 107 N 0.64 0.47 2.14 3.99 0.00 -1.26 -3.42 105.19 107.75 1b8q n GLY 107 Ca -0.07 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.47 -2.79 -2.98 1.61 2.03 -1.26 -3.96 116.55 107.73 1b8q n ASP 108 Ca -0.03 0.03 -0.12 0.00 0.52 0.00 0.00 54.79 55.20 1b8q n ASP 108 Cb 0.52 -1.87 0.06 0.00 -0.72 0.00 0.00 41.12 39.11 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 -1.26 -0.87 0.13 0.27 0.00 -1.26 -4.97 105.19 97.23 1b8q n GLY 109 Ca -0.07 0.45 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 1b8q n GLY 109 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b8q n THR 110 N -2.88 1.69 -0.02 2.61 5.66 -1.22 -4.52 114.28 115.60 1b8q n THR 110 Ca -0.06 -0.54 -0.16 0.00 -3.05 0.00 0.00 64.05 60.25 1b8q n THR 110 Cb 0.60 -1.73 -0.11 0.00 -1.55 0.00 0.00 70.33 67.53 1b8q n THR 110 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1b8q h PRO 111 N -0.15 0.25 0.00 1.09 0.11 -1.81 -3.44 132.00 128.05 1b8q h PRO 111 Ca -0.45 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.39 1b8q h PRO 111 Cb 1.89 0.08 0.00 0.00 0.11 0.00 0.00 31.00 33.07 1b8q h PRO 111 CO -0.01 0.98 0.00 1.17 -0.21 0.00 0.00 178.00 179.93 1b8q n LYS 112 N -4.41 0.00 -0.35 1.05 3.00 -1.21 -4.38 118.16 111.87 1b8q n LYS 112 Ca -0.10 0.00 0.27 0.00 -0.00 0.00 0.00 58.31 58.49 1b8q n LYS 112 Cb 0.56 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.17 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 0.00 0.43 -3.35 3.15 2.02 -1.73 -3.04 112.91 110.39 1b8q h THR 113 Ca 0.00 -0.09 -0.76 0.00 0.77 0.00 0.00 66.41 66.33 1b8q h THR 113 Cb 0.00 0.13 -0.23 0.00 -1.74 0.00 0.00 68.15 66.31 1b8q h THR 113 CO 0.00 0.05 0.17 -0.51 0.37 0.00 0.00 175.52 175.60 1b8q s ILE 114 N -5.37 5.30 -0.28 3.11 -1.16 -1.25 -3.07 121.20 118.47 1b8q s ILE 114 Ca -0.08 -1.97 -0.02 0.00 -0.51 0.00 0.00 60.65 58.07 1b8q s ILE 114 Cb 0.26 -4.50 0.12 0.00 0.61 0.00 0.00 42.46 38.95 1b8q s ILE 114 CO 0.80 -1.10 0.24 -0.60 -2.81 0.00 0.00 174.94 171.48 1b8q s ARG 115 N 1.14 0.27 -0.45 3.50 3.52 0.15 -4.79 118.95 122.30 1b8q s ARG 115 Ca 0.17 -0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.60 1b8q s ARG 115 Cb -0.14 -0.86 0.27 0.00 -1.56 0.00 0.00 34.95 32.67 1b8q s ARG 115 CO -0.05 -1.00 0.87 0.28 -0.81 0.00 0.00 175.30 174.59 1b8q n VAL 116 N 5.29 -0.14 -2.50 7.11 0.31 -1.26 -4.11 118.33 123.03 1b8q n VAL 116 Ca -0.04 -2.24 -0.43 0.00 -0.01 0.00 0.00 64.34 61.63 1b8q n VAL 116 Cb 0.45 0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 34.08 1b8q n VAL 116 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1b8q s THR 117 N -0.04 4.40 -0.08 2.52 -4.23 -1.23 -1.17 115.64 115.81 1b8q s THR 117 Ca 0.31 1.70 0.04 0.00 -1.18 0.00 0.00 61.69 62.55 1b8q s THR 117 Cb 0.25 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1b8q s THR 117 CO -0.16 -0.09 -0.20 0.00 -0.54 0.00 0.00 174.62 173.63 1b8q s GLN 118 N 2.88 2.50 0.07 3.99 -2.07 -0.07 -4.77 119.66 122.20 1b8q s GLN 118 Ca 0.52 -0.73 -0.37 0.00 -1.82 0.00 0.00 55.36 52.97 1b8q s GLN 118 Cb -0.21 -1.97 -0.18 0.00 -1.09 0.00 0.00 33.01 29.56 1b8q s GLN 118 CO 0.16 0.17 1.16 -2.30 -1.32 0.00 0.00 175.29 173.16 1b8q n PRO 119 N 3.49 0.65 -0.03 9.60 -0.02 -1.26 0.78 135.00 148.21 1b8q n PRO 119 Ca -0.20 0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.50 1b8q n PRO 119 Cb 0.53 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1b8q n PRO 119 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1b8q h LEU 120 N 3.57 0.00 0.00 2.45 3.38 -1.90 -3.44 115.31 119.36 1b8q h LEU 120 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1b8q h LEU 120 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1b8q h LEU 120 CO 0.70 0.29 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1b8q n GLY 121 N 1.72 2.46 3.79 0.83 0.00 -1.26 -5.11 105.19 107.62 1b8q n GLY 121 Ca -0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1b8q n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8q s PRO 122 N 3.43 4.34 -1.16 1.61 0.05 -1.26 -4.98 135.00 137.04 1b8q s PRO 122 Ca 0.00 0.89 -0.09 0.00 0.05 0.00 0.00 61.00 61.85 1b8q s PRO 122 Cb 0.00 -3.26 -0.13 0.00 0.05 0.00 0.00 34.50 31.16 1b8q s PRO 122 CO 0.00 0.57 3.12 -0.35 0.05 0.00 0.00 177.00 180.39 1b8q n PRO 123 N 1.86 3.26 -3.32 0.56 -0.04 -1.26 -4.64 135.00 131.42 1b8q n PRO 123 Ca -0.08 -1.93 -0.16 0.00 -0.04 0.00 0.00 63.50 61.30 1b8q n PRO 123 Cb 0.50 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1b8q n PRO 123 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b8q s THR 124 N 1.67 -0.37 0.14 0.52 2.01 -1.26 -5.13 115.64 113.21 1b8q s THR 124 Ca 0.68 -1.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1b8q s THR 124 Cb 0.22 -0.61 0.08 0.00 0.01 0.00 0.00 72.50 72.20 1b8q s THR 124 CO -0.05 -0.55 1.09 -1.59 -0.69 0.00 0.00 174.62 172.83 1b8q s LYS 125 N 1.32 1.09 -1.66 4.92 0.00 -1.26 -4.95 119.74 119.19 1b8q s LYS 125 Ca 0.19 -0.69 0.00 0.00 0.00 0.00 0.00 55.97 55.47 1b8q s LYS 125 Cb -0.13 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.02 1b8q s LYS 125 CO -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 175.35 174.80 1b8q n ALA 126 N -0.70 -0.24 1.13 0.59 0.00 -1.26 -5.15 120.51 114.88 1b8q n ALA 126 Ca -0.02 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.80 1b8q n ALA 126 Cb 0.60 -1.86 0.21 0.00 0.00 0.00 0.00 19.45 18.40 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83