#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 -0.84 -0.18 1.61 1.04 -1.26 -5.16 113.70 108.91 1b8q s SER 2 Ca 0.00 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1b8q s SER 2 Cb 0.00 1.17 0.10 0.00 0.10 0.00 0.00 66.02 67.40 1b8q s SER 2 CO 0.00 -0.11 0.89 -1.00 0.98 0.00 0.00 173.24 174.00 1b8q s HIS 3 N 2.14 -0.53 -0.15 5.02 0.09 -1.26 -5.16 115.29 115.45 1b8q s HIS 3 Ca 0.16 1.07 0.00 0.00 -0.00 0.00 0.00 55.06 56.30 1b8q s HIS 3 Cb -0.01 0.39 0.02 0.00 -0.00 0.00 0.00 32.58 32.98 1b8q s HIS 3 CO -0.14 -0.38 -0.14 1.41 -0.00 0.00 0.00 174.74 175.48 1b8q s MET 4 N -0.58 2.25 0.61 1.40 -2.45 -1.26 -4.93 119.30 114.34 1b8q s MET 4 Ca -0.03 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 1b8q s MET 4 Cb -0.02 -2.08 0.00 0.00 1.25 0.00 0.00 34.83 33.98 1b8q s MET 4 CO 0.02 -0.24 0.00 1.51 1.05 0.00 0.00 175.02 177.36 1b8q n ILE 5 N 4.78 0.00 -4.13 10.11 0.13 -1.26 -4.94 119.36 124.05 1b8q n ILE 5 Ca -0.17 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.39 1b8q n ILE 5 Cb 0.50 -0.01 -0.10 0.00 -0.84 0.00 0.00 39.64 39.19 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 -0.10 0.80 0.03 9.51 0.41 -1.26 -4.92 118.70 123.17 1b8q s GLU 6 Ca 0.00 -1.34 -0.30 0.00 -0.41 0.00 0.00 54.97 52.91 1b8q s GLU 6 Cb 0.00 0.14 -0.07 0.00 -1.78 0.00 0.00 34.13 32.42 1b8q s GLU 6 CO 0.00 -0.16 1.55 -2.14 -0.49 0.00 0.00 175.26 174.02 1b8q s PRO 7 N -3.96 4.23 -0.43 0.39 0.02 -1.26 -4.95 135.00 129.04 1b8q s PRO 7 Ca 0.16 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.37 1b8q s PRO 7 Cb 0.07 -3.60 0.14 0.00 0.02 0.00 0.00 34.50 31.13 1b8q s PRO 7 CO -0.04 -0.67 0.25 -0.80 -0.33 0.00 0.00 177.00 175.41 1b8q s ASN 8 N 2.22 3.30 -0.71 2.53 -0.87 0.18 -4.20 114.94 117.39 1b8q s ASN 8 Ca 0.70 -2.62 -0.20 0.00 -1.57 0.00 0.00 52.86 49.17 1b8q s ASN 8 Cb -0.36 -0.84 0.10 0.00 -0.02 0.00 0.00 41.25 40.14 1b8q s ASN 8 CO 0.30 -0.26 0.91 0.54 -2.57 0.00 0.00 177.10 176.01 1b8q s VAL 9 N 0.42 4.66 0.00 1.60 0.11 -1.17 -1.93 120.40 124.09 1b8q s VAL 9 Ca 0.20 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1b8q s VAL 9 Cb -0.20 -4.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.02 1b8q s VAL 9 CO -0.03 -1.34 0.00 0.00 -3.33 0.00 0.00 175.10 170.41 1b8q n ILE 10 N 5.59 0.00 -3.21 7.04 0.13 -0.75 -4.25 119.36 123.91 1b8q n ILE 10 Ca 0.02 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.49 1b8q n ILE 10 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.26 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 -0.09 5.71 0.19 9.51 0.01 -1.26 -1.10 113.70 126.67 1b8q s SER 11 Ca 0.00 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.71 1b8q s SER 11 Cb 0.00 -0.84 0.03 0.00 0.21 0.00 0.00 66.02 65.43 1b8q s SER 11 CO 0.00 -0.64 0.54 -0.69 0.41 0.00 0.00 173.24 172.85 1b8q s VAL 12 N -2.30 0.02 -0.15 3.43 1.01 0.43 -4.78 120.40 118.06 1b8q s VAL 12 Ca 0.51 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1b8q s VAL 12 Cb -0.09 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.81 1b8q s VAL 12 CO 0.32 -0.11 0.35 -0.60 0.00 0.00 0.00 175.10 175.06 1b8q s ARG 13 N -3.86 0.31 0.43 2.72 6.06 -1.26 0.25 118.95 123.59 1b8q s ARG 13 Ca 0.08 0.75 0.03 0.00 -2.50 0.00 0.00 55.73 54.10 1b8q s ARG 13 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 34.95 34.97 1b8q s ARG 13 CO -0.04 -0.18 0.11 -0.51 -2.50 0.00 0.00 175.30 172.18 1b8q s LEU 14 N 1.63 2.04 0.14 -0.88 1.02 0.17 -4.96 118.68 117.84 1b8q s LEU 14 Ca -0.07 -1.68 0.10 0.00 0.02 0.00 0.00 54.13 52.50 1b8q s LEU 14 Cb -0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 46.19 45.87 1b8q s LEU 14 CO -0.11 -0.93 -0.24 0.12 0.02 0.00 0.00 176.35 175.21 1b8q s PHE 15 N -3.15 2.10 -0.08 0.29 2.19 -1.26 0.17 117.98 118.24 1b8q s PHE 15 Ca 0.21 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.08 1b8q s PHE 15 Cb 0.02 -1.12 0.11 0.00 -1.31 0.00 0.00 43.02 40.73 1b8q s PHE 15 CO 0.13 0.33 1.24 1.63 1.83 0.00 0.00 175.22 180.37 1b8q n LYS 16 N 0.79 1.22 -2.74 10.12 4.76 -1.08 -3.63 118.16 127.60 1b8q n LYS 16 Ca -0.17 -0.51 -0.06 0.00 -2.87 0.00 0.00 58.31 54.70 1b8q n LYS 16 Cb 0.54 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.52 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1b8q n ARG 17 N 0.30 -2.71 -1.72 1.97 5.12 -1.26 0.15 116.66 118.52 1b8q n ARG 17 Ca 0.10 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 56.04 1b8q n ARG 17 Cb 0.68 -4.58 -0.01 0.00 -1.16 0.00 0.00 32.46 27.39 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 -2.71 -1.81 -1.22 5.56 0.00 -1.26 -4.44 118.16 112.27 1b8q n LYS 18 Ca 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 58.31 58.51 1b8q n LYS 18 Cb 0.50 -4.52 -0.01 0.00 -0.00 0.00 0.00 35.03 31.00 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 -1.95 0.00 -3.46 0.58 0.24 0.63 -4.48 118.33 109.89 1b8q n VAL 19 Ca -0.05 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 1b8q n VAL 19 Cb 0.32 0.48 0.01 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 -0.28 -1.23 2.61 7.63 0.00 0.40 -4.98 105.19 109.34 1b8q n GLY 20 Ca -0.18 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 1b8q n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 21 N -1.70 0.75 0.36 -0.02 0.00 -0.78 -4.94 105.19 98.86 1b8q n GLY 21 Ca -0.15 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 3.95 0.00 0.00 0.99 4.07 -1.81 -3.35 115.31 119.16 1b8q h LEU 22 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1b8q h LEU 22 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 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 -1.36 0.95 3.54 0.83 0.00 -1.26 -0.71 105.19 107.18 1b8q n GLY 23 Ca 0.02 0.00 -0.13 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 -0.74 0.74 1.61 -0.71 -1.26 -0.68 117.98 114.94 1b8q s PHE 24 Ca 0.00 1.73 -0.12 0.00 -1.04 0.00 0.00 56.93 57.51 1b8q s PHE 24 Cb 0.00 0.29 0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1b8q s PHE 24 CO 0.00 -0.36 1.11 -0.51 -1.34 0.00 0.00 175.22 174.12 1b8q s LEU 25 N 0.57 2.76 0.04 -1.99 1.43 0.22 -4.81 118.68 116.90 1b8q s LEU 25 Ca -0.02 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1b8q s LEU 25 Cb -0.05 -3.84 0.01 0.00 0.03 0.00 0.00 46.19 42.34 1b8q s LEU 25 CO -0.03 -1.58 0.23 0.68 0.23 0.00 0.00 176.35 175.88 1b8q s VAL 26 N -3.33 0.10 -0.05 -1.59 -7.23 -1.26 -2.15 120.40 104.88 1b8q s VAL 26 Ca 0.59 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1b8q s VAL 26 Cb -0.12 -0.88 0.03 0.00 0.56 0.00 0.00 36.38 35.97 1b8q s VAL 26 CO 0.52 -0.44 0.03 -0.75 -0.31 0.00 0.00 175.10 174.15 1b8q s LYS 27 N -2.43 0.28 -0.49 4.82 2.20 0.28 -4.83 119.74 119.57 1b8q s LYS 27 Ca -0.06 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1b8q s LYS 27 Cb -0.02 -0.71 0.13 0.00 -1.51 0.00 0.00 37.83 35.72 1b8q s LYS 27 CO -0.03 -0.29 0.27 -2.00 -0.36 0.00 0.00 175.35 172.94 1b8q s GLU 28 N 1.93 2.11 -0.07 4.03 2.12 -1.26 0.06 118.70 127.62 1b8q s GLU 28 Ca 0.03 -2.20 -0.29 0.00 0.36 0.00 0.00 54.97 52.87 1b8q s GLU 28 Cb -0.12 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 1b8q s GLU 28 CO -0.04 -1.09 1.95 1.03 -0.54 0.00 0.00 175.26 176.57 1b8q s ARG 29 N 0.47 3.84 0.66 4.30 0.52 -1.26 -4.71 118.95 122.77 1b8q s ARG 29 Ca 0.13 2.30 0.20 0.00 -0.52 0.00 0.00 55.73 57.84 1b8q s ARG 29 Cb -0.22 -4.18 1.07 0.00 0.52 0.00 0.00 34.95 32.14 1b8q s ARG 29 CO -0.04 -1.28 1.60 0.28 0.02 0.00 0.00 175.30 175.88 1b8q h VAL 30 N 6.08 0.03 -1.79 3.52 2.07 -1.94 -2.76 116.25 121.45 1b8q h VAL 30 Ca -0.44 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 66.58 1b8q h VAL 30 Cb 1.22 0.42 -0.37 0.00 -1.52 0.00 0.00 31.29 31.05 1b8q h VAL 30 CO 0.96 0.00 -1.07 -1.20 0.02 0.00 0.00 177.57 176.27 1b8q n SER 31 N -2.84 0.10 -3.61 0.57 7.64 -1.26 -5.01 113.62 109.22 1b8q n SER 31 Ca 0.00 -2.89 -0.00 0.00 1.01 0.00 0.00 58.87 57.00 1b8q n SER 31 Cb 0.64 -0.37 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.44 0.79 0.79 1.43 1.02 -1.04 -5.18 119.74 116.10 1b8q s LYS 32 Ca 0.36 -0.49 -0.10 0.00 0.02 0.00 0.00 55.97 55.76 1b8q s LYS 32 Cb 0.24 0.23 0.15 0.00 -0.52 0.00 0.00 37.83 37.94 1b8q s LYS 32 CO -0.11 -0.37 0.34 -2.30 -0.92 0.00 0.00 175.35 172.00 1b8q n PRO 33 N -0.72 -1.16 -0.66 -1.68 -0.02 -1.26 -4.79 135.00 124.71 1b8q n PRO 33 Ca -0.02 -0.58 -0.19 0.00 -2.02 0.00 0.00 63.50 60.69 1b8q n PRO 33 Cb 0.60 -1.15 0.10 0.00 -0.02 0.00 0.00 33.50 33.03 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 -1.33 -1.41 -2.70 0.52 -0.02 -1.26 -4.56 135.00 124.23 1b8q n PRO 34 Ca 0.05 -0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 60.78 1b8q n PRO 34 Cb 0.24 -1.34 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.07 4.11 0.12 -1.45 0.11 -0.61 -4.65 120.40 115.96 1b8q s VAL 35 Ca 0.32 1.40 0.06 0.00 -2.93 0.00 0.00 61.98 60.83 1b8q s VAL 35 Cb -0.03 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1b8q s VAL 35 CO 0.36 -0.20 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.17 1b8q s ILE 36 N -1.99 1.28 0.29 7.04 1.09 0.11 -4.27 121.20 124.76 1b8q s ILE 36 Ca 0.62 -1.72 -0.28 0.00 -1.10 0.00 0.00 60.65 58.16 1b8q s ILE 36 Cb -0.14 -1.53 -0.09 0.00 -1.06 0.00 0.00 42.46 39.64 1b8q s ILE 36 CO 0.18 -0.45 0.96 -0.63 -0.10 0.00 0.00 174.94 174.91 1b8q s ILE 37 N -2.22 4.07 -0.18 2.92 1.01 -1.26 0.98 121.20 126.52 1b8q s ILE 37 Ca 0.09 1.86 0.01 0.00 0.00 0.00 0.00 60.65 62.61 1b8q s ILE 37 Cb -0.04 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 1b8q s ILE 37 CO 0.03 0.28 -0.16 -0.24 0.00 0.00 0.00 174.94 174.85 1b8q n SER 38 N 0.91 2.56 -3.63 3.58 2.88 -0.91 0.01 113.62 119.01 1b8q n SER 38 Ca 0.00 -0.08 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 1b8q n SER 38 Cb 0.48 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 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 -5.76 -0.32 -1.11 -3.46 -1.08 -1.26 -4.64 116.67 99.04 1b8q s ASP 39 Ca -0.24 0.57 -0.22 0.00 -0.52 0.00 0.00 52.55 52.14 1b8q s ASP 39 Cb 0.06 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 42.10 1b8q s ASP 39 CO 0.41 -0.14 1.72 -0.76 0.52 0.00 0.00 175.17 176.91 1b8q s LEU 40 N -0.10 3.46 0.17 -1.34 1.43 -1.26 0.71 118.68 121.75 1b8q s LEU 40 Ca 0.04 -1.64 -0.28 0.00 -1.03 0.00 0.00 54.13 51.22 1b8q s LEU 40 Cb -0.04 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 1b8q s LEU 40 CO -0.07 -1.93 1.55 -0.29 0.23 0.00 0.00 176.35 175.84 1b8q h ILE 41 N 6.41 0.02 0.00 -0.59 6.09 -1.22 -3.36 117.51 124.87 1b8q h ILE 41 Ca 0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1b8q h ILE 41 Cb 0.95 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1b8q h ILE 41 CO 1.36 0.00 -0.23 -1.14 -3.07 0.00 0.00 178.15 175.07 1b8q n ARG 42 N -5.34 0.18 0.00 2.19 3.00 -1.20 -4.98 116.66 110.50 1b8q n ARG 42 Ca 0.02 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1b8q n ARG 42 Cb 0.32 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.73 1b8q n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b8q n GLY 43 N 1.65 1.35 0.00 5.14 0.00 -1.26 -4.99 105.19 107.08 1b8q n GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1b8q n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 44 N -1.26 0.00 0.00 -0.02 0.00 -1.26 -4.26 105.19 98.39 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 -1.32 0.00 0.20 4.61 0.00 -1.26 -4.10 120.51 118.64 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 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.51 -0.90 0.00 0.00 -1.21 -2.04 119.26 112.60 1b8q h ALA 46 Ca 0.00 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.95 1b8q h ALA 46 Cb 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 1b8q h ALA 46 CO 0.00 -0.68 0.43 1.49 0.00 0.00 0.00 179.25 180.50 1b8q h GLU 47 N -0.72 0.47 -0.49 0.00 4.57 -1.80 0.84 114.58 117.46 1b8q h GLU 47 Ca -0.05 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1b8q h GLU 47 Cb 0.50 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1b8q h GLU 47 CO 0.08 0.31 0.21 0.37 -1.18 0.00 0.00 179.01 178.81 1b8q h GLN 48 N 0.49 0.69 -0.52 1.92 5.75 -1.67 -2.08 115.11 119.69 1b8q h GLN 48 Ca 0.55 -0.09 0.10 0.00 -0.15 0.00 0.00 58.65 59.05 1b8q h GLN 48 Cb 0.97 -0.13 -0.08 0.00 1.07 0.00 0.00 27.48 29.31 1b8q h GLN 48 CO -0.48 0.56 0.06 1.03 -2.65 0.00 0.00 178.83 177.36 1b8q h SER 49 N 0.69 -0.09 0.00 -0.69 0.87 0.15 -3.47 113.55 111.01 1b8q h SER 49 Ca 0.17 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1b8q h SER 49 Cb 0.11 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1b8q h SER 49 CO -0.02 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 1b8q n GLY 50 N -1.31 1.90 0.00 5.77 0.00 -0.78 -4.89 105.19 105.88 1b8q n GLY 50 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1b8q n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1b8q n LEU 51 N 0.00 0.74 -4.50 0.99 -0.00 -1.26 -3.65 117.00 109.32 1b8q n LEU 51 Ca 0.00 -0.42 -0.43 0.00 -0.00 0.00 0.00 56.01 55.16 1b8q n LEU 51 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1b8q n LEU 51 CO 0.00 0.19 0.69 -0.63 -0.00 0.00 0.00 177.39 177.64 1b8q s ILE 52 N -2.87 4.44 0.15 1.47 1.09 -1.26 -4.81 121.20 119.41 1b8q s ILE 52 Ca 0.05 0.03 0.07 0.00 -1.10 0.00 0.00 60.65 59.70 1b8q s ILE 52 Cb 0.14 -4.54 -0.04 0.00 -1.06 0.00 0.00 42.46 36.96 1b8q s ILE 52 CO 0.78 -1.15 -0.15 -1.58 -0.10 0.00 0.00 174.94 172.74 1b8q s GLN 53 N 3.80 1.15 0.16 2.79 2.00 -1.26 -4.12 119.66 124.17 1b8q s GLN 53 Ca 0.26 -1.38 -0.30 0.00 -2.00 0.00 0.00 55.36 51.95 1b8q s GLN 53 Cb -0.14 -1.01 -0.08 0.00 0.80 0.00 0.00 33.01 32.58 1b8q s GLN 53 CO 0.16 0.19 1.24 0.00 -0.50 0.00 0.00 175.29 176.38 1b8q s ALA 54 N -2.44 3.46 -0.59 1.58 0.00 -1.26 -2.46 121.76 120.07 1b8q s ALA 54 Ca 0.14 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1b8q s ALA 54 Cb -0.03 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1b8q s ALA 54 CO 0.04 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1b8q n GLY 55 N 2.57 0.70 0.00 0.00 0.00 0.10 -4.91 105.19 103.65 1b8q n GLY 55 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.36 0.00 -3.65 1.61 9.92 -1.03 -4.93 116.55 118.12 1b8q n ASP 56 Ca -0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.18 1b8q n ASP 56 Cb 0.35 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.78 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 -0.90 -0.41 0.53 1.09 -1.26 -4.96 121.20 115.29 1b8q s ILE 57 Ca 0.00 0.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.64 1b8q s ILE 57 Cb 0.00 -0.93 0.17 0.00 -1.06 0.00 0.00 42.46 40.64 1b8q s ILE 57 CO 0.00 0.01 0.51 -0.51 -0.10 0.00 0.00 174.94 174.86 1b8q s ILE 58 N 2.80 -0.58 -0.08 2.92 1.10 -1.26 -4.80 121.20 121.29 1b8q s ILE 58 Ca -0.05 -0.88 -0.01 0.00 -0.51 0.00 0.00 60.65 59.20 1b8q s ILE 58 Cb -0.12 -0.41 -0.00 0.00 0.15 0.00 0.00 42.46 42.08 1b8q s ILE 58 CO -0.18 -0.38 0.04 0.25 -2.11 0.00 0.00 174.94 172.56 1b8q h LEU 59 N 6.51 -0.02 -8.80 8.50 5.85 -1.71 -3.36 115.31 122.27 1b8q h LEU 59 Ca 0.08 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.37 1b8q h LEU 59 Cb 1.09 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.97 1b8q h LEU 59 CO 0.15 0.38 -0.74 0.00 -0.34 0.00 0.00 178.44 177.90 1b8q s ALA 60 N -2.70 1.83 -0.02 1.25 0.00 -0.78 -3.68 121.76 117.66 1b8q s ALA 60 Ca -0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1b8q s ALA 60 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1b8q s ALA 60 CO 0.01 0.05 0.35 0.08 0.00 0.00 0.00 175.76 176.25 1b8q s VAL 61 N -2.86 0.05 -1.15 0.00 1.01 -1.10 -2.10 120.40 114.25 1b8q s VAL 61 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1b8q s VAL 61 Cb -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.77 1b8q s VAL 61 CO 0.05 -0.23 0.34 -0.46 0.00 0.00 0.00 175.10 174.79 1b8q n ASN 62 N 1.23 -3.60 -1.54 3.32 0.23 0.28 0.10 115.26 115.29 1b8q n ASN 62 Ca -0.21 -0.19 -0.17 0.00 -0.53 0.00 0.00 54.58 53.48 1b8q n ASN 62 Cb 0.56 -3.01 -0.05 0.00 -2.08 0.00 0.00 39.78 35.20 1b8q n ASN 62 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1b8q n ASP 63 N -2.12 -5.02 -4.25 0.53 9.92 -1.23 -4.90 116.55 109.48 1b8q n ASP 63 Ca -0.05 0.25 -0.37 0.00 -0.53 0.00 0.00 54.79 54.10 1b8q n ASP 63 Cb 0.56 -4.05 -0.13 0.00 -0.64 0.00 0.00 41.12 36.85 1b8q n ASP 63 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1b8q s ARG 64 N -3.98 2.63 -1.09 -1.24 1.81 0.28 -5.02 118.95 112.33 1b8q s ARG 64 Ca 0.00 -1.15 -0.26 0.00 -1.72 0.00 0.00 55.73 52.60 1b8q s ARG 64 Cb 0.00 -3.33 -0.20 0.00 -0.45 0.00 0.00 34.95 30.98 1b8q s ARG 64 CO 0.00 -0.61 2.09 -1.25 -0.68 0.00 0.00 175.30 174.85 1b8q s PRO 65 N 1.36 1.45 -1.40 3.54 0.04 -1.26 -2.73 135.00 136.01 1b8q s PRO 65 Ca -0.02 -0.55 -0.13 0.00 0.04 0.00 0.00 61.00 60.34 1b8q s PRO 65 Cb -0.19 -5.03 -0.04 0.00 0.04 0.00 0.00 34.50 29.29 1b8q s PRO 65 CO 0.01 -5.17 2.45 1.28 0.04 0.00 0.00 177.00 175.61 1b8q n LEU 66 N 18.60 7.09 0.04 -3.56 4.77 -1.24 -4.15 117.00 138.54 1b8q n LEU 66 Ca 0.42 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 1b8q n LEU 66 Cb 0.47 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1b8q n LEU 66 CO 0.61 1.26 -0.17 1.33 -1.33 0.00 0.00 177.39 179.09 1b8q n VAL 67 N 4.56 0.65 -2.05 4.08 0.24 -1.26 -1.57 118.33 122.97 1b8q n VAL 67 Ca 0.61 0.21 0.02 0.00 -2.04 0.00 0.00 64.34 63.14 1b8q n VAL 67 Cb 0.31 -1.41 0.02 0.00 -1.47 0.00 0.00 33.84 31.28 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 -3.28 0.39 -3.63 -1.34 9.92 -1.26 -4.20 116.55 113.15 1b8q n ASP 68 Ca 0.00 -2.10 -0.12 0.00 -0.53 0.00 0.00 54.79 52.04 1b8q n ASP 68 Cb 0.17 -0.24 0.05 0.00 -0.64 0.00 0.00 41.12 40.46 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b8q n LEU 69 N 0.01 0.00 -4.55 0.64 -0.00 -1.26 -4.97 117.00 106.86 1b8q n LEU 69 Ca 0.03 -1.37 -0.34 0.00 -0.00 0.00 0.00 56.01 54.32 1b8q n LEU 69 Cb 0.80 -0.30 -0.04 0.00 -0.00 0.00 0.00 43.42 43.88 1b8q n LEU 69 CO -0.01 -0.69 1.54 -0.44 -0.00 0.00 0.00 177.39 177.79 1b8q s SER 70 N -3.22 5.13 0.19 1.45 0.01 -1.26 -4.84 113.70 111.16 1b8q s SER 70 Ca 0.37 0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.45 1b8q s SER 70 Cb -0.03 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.75 1b8q s SER 70 CO 0.24 -2.57 1.55 0.22 0.41 0.00 0.00 173.24 173.09 1b8q h TYR 71 N 14.09 -1.47 -0.07 2.43 3.20 -1.94 0.97 116.97 134.19 1b8q h TYR 71 Ca -0.14 0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1b8q h TYR 71 Cb 1.12 0.77 -0.00 0.00 1.54 0.00 0.00 36.73 40.15 1b8q h TYR 71 CO 1.09 -0.39 0.06 0.38 -1.64 0.00 0.00 178.16 177.66 1b8q h ASP 72 N -0.04 0.00 0.02 -2.11 2.03 -1.92 -0.08 116.42 114.33 1b8q h ASP 72 Ca 0.24 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.39 1b8q h ASP 72 Cb 0.51 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1b8q h ASP 72 CO -0.92 0.00 -0.59 -1.28 -1.03 0.00 0.00 179.24 175.41 1b8q h SER 73 N 0.00 0.48 -0.93 4.15 0.87 0.37 -2.00 113.55 116.49 1b8q h SER 73 Ca 0.03 -0.80 0.05 0.00 -1.23 0.00 0.00 61.79 59.85 1b8q h SER 73 Cb 0.14 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 1b8q h SER 73 CO -0.00 1.22 0.60 0.00 -0.53 0.00 0.00 176.83 178.12 1b8q h ALA 74 N 0.27 1.27 -0.40 6.23 0.00 0.53 0.29 119.26 127.45 1b8q h ALA 74 Ca -0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1b8q h ALA 74 Cb 1.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1b8q h ALA 74 CO 0.12 0.41 -0.10 -0.07 0.00 0.00 0.00 179.25 179.61 1b8q h LEU 75 N 1.12 0.68 -0.36 0.00 3.38 -1.06 -2.22 115.31 116.86 1b8q h LEU 75 Ca 0.39 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1b8q h LEU 75 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b8q h LEU 75 CO -0.15 0.82 -0.57 -0.33 0.09 0.00 0.00 178.44 178.30 1b8q h GLU 76 N 0.64 0.77 -0.70 1.13 5.08 -0.35 0.93 114.58 122.08 1b8q h GLU 76 Ca 0.11 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1b8q h GLU 76 Cb 0.54 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1b8q h GLU 76 CO 0.03 1.12 0.47 0.28 -1.00 0.00 0.00 179.01 179.91 1b8q h VAL 77 N 0.59 1.16 0.00 3.13 2.07 -0.21 -1.62 116.25 121.36 1b8q h VAL 77 Ca 0.01 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1b8q h VAL 77 Cb 1.16 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1b8q h VAL 77 CO 0.12 0.17 -1.48 0.00 0.02 0.00 0.00 177.57 176.39 1b8q n LEU 78 N -4.44 0.71 -0.12 2.57 -0.00 -0.86 -4.20 117.00 110.67 1b8q n LEU 78 Ca 0.08 0.30 -0.11 0.00 -0.00 0.00 0.00 56.01 56.28 1b8q n LEU 78 Cb 0.06 0.08 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 1b8q n LEU 78 CO 0.36 0.11 0.77 0.03 -0.00 0.00 0.00 177.39 178.66 1b8q h ARG 79 N 0.00 0.60 -0.16 1.47 -0.00 0.14 -2.51 114.38 113.91 1b8q h ARG 79 Ca -0.15 -0.19 0.05 0.00 -0.50 0.00 0.00 59.98 59.18 1b8q h ARG 79 Cb 1.49 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 31.40 1b8q h ARG 79 CO 0.03 0.72 0.39 0.78 0.00 0.00 0.00 179.97 181.90 1b8q h GLY 80 N 0.40 0.00 -6.24 0.04 0.00 -1.48 -3.42 103.07 92.37 1b8q h GLY 80 Ca 0.09 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.72 1b8q h GLY 80 CO 0.02 0.00 0.99 1.39 0.00 0.00 0.00 176.54 178.94 1b8q n ILE 81 N -3.21 0.37 -0.14 2.60 5.41 -0.95 -4.95 119.36 118.50 1b8q n ILE 81 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1b8q n ILE 81 Cb 0.49 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 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 5.99 0.00 -2.66 -1.39 0.00 -1.26 -4.74 120.51 116.45 1b8q n ALA 82 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 1b8q n ALA 82 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.60 0.20 -2.72 0.00 7.64 -1.26 -4.50 113.62 110.38 1b8q n SER 83 Ca 0.00 -1.16 -0.09 0.00 1.01 0.00 0.00 58.87 58.64 1b8q n SER 83 Cb 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.18 -2.66 -4.37 1.43 1.02 -1.26 -4.89 120.64 108.73 1b8q n GLU 84 Ca 0.02 0.22 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 1b8q n GLU 84 Cb 0.07 -4.77 -0.10 0.00 -0.02 0.00 0.00 31.44 26.61 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1b8q s THR 85 N -2.35 1.86 0.54 2.62 -1.32 -1.26 -5.05 115.64 110.67 1b8q s THR 85 Ca 0.10 -2.24 0.09 0.00 -1.21 0.00 0.00 61.69 58.43 1b8q s THR 85 Cb -0.06 -2.10 0.06 0.00 -1.51 0.00 0.00 72.50 68.89 1b8q s THR 85 CO 0.13 -0.55 0.71 -1.00 -2.21 0.00 0.00 174.62 171.69 1b8q s HIS 86 N -2.89 1.74 -0.02 9.09 3.76 -1.26 -2.63 115.29 123.08 1b8q s HIS 86 Ca 0.24 -0.66 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 1b8q s HIS 86 Cb -0.01 -2.22 0.03 0.00 1.11 0.00 0.00 32.58 31.49 1b8q s HIS 86 CO 0.08 -0.93 0.38 0.54 -0.85 0.00 0.00 174.74 173.97 1b8q s VAL 87 N -2.61 0.05 0.19 -0.90 0.11 0.45 -4.71 120.40 112.98 1b8q s VAL 87 Ca 0.58 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 1b8q s VAL 87 Cb -0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1b8q s VAL 87 CO 0.36 -0.21 0.03 -0.69 -3.33 0.00 0.00 175.10 171.26 1b8q s VAL 88 N -1.31 3.82 0.05 2.04 1.01 -1.26 0.42 120.40 125.18 1b8q s VAL 88 Ca -0.13 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.26 1b8q s VAL 88 Cb -0.04 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1b8q s VAL 88 CO 0.05 -0.17 0.29 -1.48 0.00 0.00 0.00 175.10 173.79 1b8q s LEU 89 N -3.15 0.94 -0.04 3.92 2.34 0.14 0.10 118.68 122.93 1b8q s LEU 89 Ca 0.29 -0.26 0.02 0.00 0.06 0.00 0.00 54.13 54.24 1b8q s LEU 89 Cb -0.09 1.32 0.01 0.00 -0.56 0.00 0.00 46.19 46.87 1b8q s LEU 89 CO 0.20 -0.64 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.11 1b8q s ILE 90 N -2.78 0.93 0.23 1.48 -1.09 -0.89 0.16 121.20 119.23 1b8q s ILE 90 Ca -0.03 -0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.05 1b8q s ILE 90 Cb -0.00 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 40.00 1b8q s ILE 90 CO -0.05 0.29 0.13 -0.76 -1.23 0.00 0.00 174.94 173.33 1b8q s LEU 91 N 0.40 3.66 0.19 2.97 1.43 -0.26 -1.86 118.68 125.21 1b8q s LEU 91 Ca -0.08 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1b8q s LEU 91 Cb -0.12 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1b8q s LEU 91 CO 0.02 0.01 0.20 0.00 0.23 0.00 0.00 176.35 176.80 1b8q s ARG 92 N -3.55 3.05 0.00 1.70 1.04 -0.81 -1.81 118.95 118.57 1b8q s ARG 92 Ca 0.32 -0.85 0.00 0.00 -1.04 0.00 0.00 55.73 54.15 1b8q s ARG 92 Cb -0.08 -2.71 0.00 0.00 -2.04 0.00 0.00 34.95 30.12 1b8q s ARG 92 CO 0.23 0.47 0.00 0.41 -0.04 0.00 0.00 175.30 176.37 1b8q n GLY 93 N -0.67 2.77 0.00 3.88 0.00 -1.21 0.47 105.19 110.43 1b8q n GLY 93 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8q n PRO 94 N 0.00 0.99 -3.84 1.61 -0.04 -1.26 -4.65 135.00 127.81 1b8q n PRO 94 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1b8q n PRO 94 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1b8q s GLU 95 N -1.19 1.10 0.00 0.54 -1.05 -1.26 -4.71 118.70 112.13 1b8q s GLU 95 Ca 0.00 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1b8q s GLU 95 Cb 0.00 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1b8q s GLU 95 CO 0.00 -0.78 0.00 0.41 0.95 0.00 0.00 175.26 175.84 1b8q n GLY 96 N 4.76 1.37 2.93 -3.83 0.00 -1.26 -4.95 105.19 104.21 1b8q n GLY 96 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1b8q n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8q s PHE 97 N -2.00 -0.05 -0.28 1.61 0.40 -1.26 0.11 117.98 116.52 1b8q s PHE 97 Ca 0.00 0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.32 1b8q s PHE 97 Cb 0.00 0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.50 1b8q s PHE 97 CO 0.00 -0.04 0.25 0.95 0.70 0.00 0.00 175.22 177.08 1b8q s THR 98 N -0.05 5.27 -0.73 0.64 -4.23 0.19 -4.76 115.64 111.97 1b8q s THR 98 Ca -0.01 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1b8q s THR 98 Cb -0.01 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.43 1b8q s THR 98 CO 0.00 0.21 0.65 0.28 -0.54 0.00 0.00 174.62 175.22 1b8q s THR 99 N 1.85 5.13 0.00 3.99 -1.32 -1.23 -0.18 115.64 123.88 1b8q s THR 99 Ca 0.09 -2.40 0.00 0.00 -1.21 0.00 0.00 61.69 58.17 1b8q s THR 99 Cb -0.16 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.61 1b8q s THR 99 CO 0.11 -0.97 0.00 1.57 -2.21 0.00 0.00 174.62 173.12 1b8q n HIS 100 N 4.09 -1.68 -4.15 9.09 -0.00 0.13 -4.59 115.22 118.12 1b8q n HIS 100 Ca 0.08 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.92 1b8q n HIS 100 Cb 0.44 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.20 1b8q n HIS 100 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1b8q s LEU 101 N 0.00 3.44 0.00 0.27 2.01 -1.26 -2.87 118.68 120.28 1b8q s LEU 101 Ca 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.05 1b8q s LEU 101 Cb 0.00 -1.86 0.00 0.00 0.01 0.00 0.00 46.19 44.34 1b8q s LEU 101 CO 0.00 0.13 0.00 1.21 1.01 0.00 0.00 176.35 178.70 1b8q n GLU 102 N 3.82 0.00 -1.62 1.70 4.07 -0.46 -4.80 120.64 123.34 1b8q n GLU 102 Ca -0.17 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.53 1b8q n GLU 102 Cb 0.52 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.87 1b8q n GLU 102 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1b8q s THR 103 N 0.00 3.04 -0.22 6.31 2.01 -0.88 -2.40 115.64 123.49 1b8q s THR 103 Ca 0.00 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1b8q s THR 103 Cb 0.00 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1b8q s THR 103 CO 0.00 -0.05 0.56 0.42 -0.69 0.00 0.00 174.62 174.85 1b8q s THR 104 N 9.78 -0.01 -0.10 -0.82 -4.23 -1.25 -5.02 115.64 113.99 1b8q s THR 104 Ca 0.98 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 61.21 1b8q s THR 104 Cb -0.26 -0.79 0.07 0.00 1.34 0.00 0.00 72.50 72.87 1b8q s THR 104 CO 0.31 0.01 0.70 0.72 -0.54 0.00 0.00 174.62 175.82 1b8q s PHE 105 N 0.76 -0.67 -0.38 3.99 -0.71 -1.26 -4.51 117.98 115.20 1b8q s PHE 105 Ca -0.04 1.27 -0.25 0.00 -1.04 0.00 0.00 56.93 56.87 1b8q s PHE 105 Cb -0.05 0.38 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1b8q s PHE 105 CO -0.06 -0.56 0.90 0.99 -1.34 0.00 0.00 175.22 175.16 1b8q s THR 106 N -0.88 4.60 0.00 -4.49 2.01 -1.26 -4.77 115.64 110.84 1b8q s THR 106 Ca -0.09 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1b8q s THR 106 Cb -0.01 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1b8q s THR 106 CO 0.08 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 174.07 1b8q n GLY 107 N 4.47 0.85 2.32 4.40 0.00 -1.26 -2.94 105.19 113.02 1b8q n GLY 107 Ca 0.06 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 1b8q n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8q n ASP 108 N 5.60 -1.04 -0.11 1.61 8.00 -1.26 -5.00 116.55 124.35 1b8q n ASP 108 Ca 0.00 -1.86 -0.19 0.00 0.71 0.00 0.00 54.79 53.45 1b8q n ASP 108 Cb 0.00 0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 41.50 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8q n GLY 109 N -1.10 -0.32 2.54 0.44 0.00 -1.15 -4.72 105.19 100.88 1b8q n GLY 109 Ca -0.13 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.52 2.52 -2.23 2.61 5.66 -1.26 -4.28 114.28 113.78 1b8q n THR 110 Ca -0.40 -4.96 -0.43 0.00 -3.05 0.00 0.00 64.05 55.21 1b8q n THR 110 Cb 0.85 -1.28 -0.02 0.00 -1.55 0.00 0.00 70.33 68.33 1b8q n THR 110 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1b8q s PRO 111 N -3.57 3.74 0.00 1.09 0.04 -1.26 -4.59 135.00 130.45 1b8q s PRO 111 Ca 0.48 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1b8q s PRO 111 Cb 0.39 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1b8q s PRO 111 CO -0.20 -1.35 0.00 0.36 0.04 0.00 0.00 177.00 175.85 1b8q n LYS 112 N 7.72 0.00 -0.10 4.56 0.00 -1.26 -5.08 118.16 124.00 1b8q n LYS 112 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.36 1b8q n LYS 112 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.39 1b8q n LYS 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b8q n THR 113 N 0.00 1.20 -3.08 0.58 -1.04 -1.24 -3.96 114.28 106.73 1b8q n THR 113 Ca 0.00 -0.53 -0.44 0.00 -2.04 0.00 0.00 64.05 61.05 1b8q n THR 113 Cb 0.00 -1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1b8q n THR 113 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1b8q s ILE 114 N -2.42 4.75 -0.35 12.58 -1.16 -1.26 -1.36 121.20 131.98 1b8q s ILE 114 Ca -0.23 -0.36 0.06 0.00 -0.51 0.00 0.00 60.65 59.61 1b8q s ILE 114 Cb 0.07 -4.37 0.19 0.00 0.61 0.00 0.00 42.46 38.95 1b8q s ILE 114 CO 0.54 -0.91 0.63 -0.60 -2.81 0.00 0.00 174.94 171.78 1b8q s ARG 115 N 2.95 0.68 -0.46 3.50 6.06 -1.01 -4.83 118.95 125.84 1b8q s ARG 115 Ca 0.18 0.12 0.06 0.00 -2.50 0.00 0.00 55.73 53.60 1b8q s ARG 115 Cb -0.18 0.17 0.29 0.00 0.06 0.00 0.00 34.95 35.29 1b8q s ARG 115 CO 0.13 -1.09 1.00 0.28 -2.50 0.00 0.00 175.30 173.12 1b8q n VAL 116 N 4.88 -0.03 -2.56 7.11 0.31 -1.17 -4.20 118.33 122.67 1b8q n VAL 116 Ca 0.08 -1.73 -0.42 0.00 -0.01 0.00 0.00 64.34 62.26 1b8q n VAL 116 Cb 0.56 1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 34.77 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 0.24 4.45 -0.00 2.52 2.01 -1.23 -0.69 115.64 122.94 1b8q s THR 117 Ca 0.27 1.76 0.01 0.00 0.31 0.00 0.00 61.69 64.03 1b8q s THR 117 Cb 0.27 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1b8q s THR 117 CO -0.12 0.07 -0.02 0.00 -0.69 0.00 0.00 174.62 173.86 1b8q s GLN 118 N 1.56 0.17 0.06 4.92 -2.07 0.74 -4.88 119.66 120.16 1b8q s GLN 118 Ca 0.54 -0.06 -0.32 0.00 -1.82 0.00 0.00 55.36 53.70 1b8q s GLN 118 Cb -0.24 -0.18 -0.11 0.00 -1.09 0.00 0.00 33.01 31.39 1b8q s GLN 118 CO 0.25 0.03 1.86 -0.35 -1.32 0.00 0.00 175.29 175.76 1b8q n PRO 119 N 3.09 2.61 -0.02 9.60 -0.04 -1.26 0.55 135.00 149.54 1b8q n PRO 119 Ca -0.13 0.95 -0.03 0.00 -0.04 0.00 0.00 63.50 64.26 1b8q n PRO 119 Cb 0.59 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 1b8q n PRO 119 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1b8q n LEU 120 N 6.10 1.21 -2.34 1.53 -0.00 0.31 -4.83 117.00 118.97 1b8q n LEU 120 Ca 0.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1b8q n LEU 120 Cb 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1b8q n LEU 120 CO 0.68 0.29 -0.49 0.61 -0.00 0.00 0.00 177.39 178.48 1b8q n GLY 121 N 2.97 -5.83 3.83 1.47 0.00 -0.80 -4.97 105.19 101.86 1b8q n GLY 121 Ca -0.07 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.65 4.05 1.10 1.61 0.04 -1.26 -5.03 135.00 134.86 1b8q s PRO 122 Ca -0.01 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 1b8q s PRO 122 Cb 0.00 -2.15 0.22 0.00 0.04 0.00 0.00 34.50 32.61 1b8q s PRO 122 CO 0.02 -0.19 0.46 -2.30 0.04 0.00 0.00 177.00 175.03 1b8q n PRO 123 N -1.11 -2.81 0.30 0.56 -0.02 -1.26 -4.90 135.00 125.76 1b8q n PRO 123 Ca 0.07 -0.83 -0.17 0.00 -2.02 0.00 0.00 63.50 60.55 1b8q n PRO 123 Cb 0.54 -1.57 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 1b8q n PRO 123 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1b8q h THR 124 N -2.89 0.36 -0.72 3.45 1.35 -2.03 -3.41 112.91 109.02 1b8q h THR 124 Ca -0.28 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.08 1b8q h THR 124 Cb 0.88 0.36 0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1b8q h THR 124 CO 0.17 0.00 -0.07 -0.54 -0.25 0.00 0.00 175.52 174.84 1b8q s LYS 125 N -6.05 2.21 -2.12 4.72 1.02 -1.26 -4.45 119.74 113.81 1b8q s LYS 125 Ca -0.17 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1b8q s LYS 125 Cb 0.04 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1b8q s LYS 125 CO 0.63 -0.97 0.00 0.00 -0.92 0.00 0.00 175.35 174.09 1b8q n ALA 126 N -2.32 -0.31 0.00 5.17 0.00 -1.26 -5.08 120.51 116.71 1b8q n ALA 126 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1b8q n ALA 126 Cb 0.62 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83