#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q h SER 2 N 0.00 0.28 -3.89 1.61 0.87 -2.04 -3.43 113.55 106.95 1b8q h SER 2 Ca 0.00 -0.03 -0.50 0.00 -1.23 0.00 0.00 61.79 60.02 1b8q h SER 2 Cb 0.00 -0.07 0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1b8q h SER 2 CO 0.00 0.33 0.49 -1.00 -0.53 0.00 0.00 176.83 176.12 1b8q s HIS 3 N -5.01 3.27 0.00 2.24 4.02 -1.26 -4.99 115.29 113.56 1b8q s HIS 3 Ca -0.06 1.60 -0.06 0.00 1.02 0.00 0.00 55.06 57.57 1b8q s HIS 3 Cb 0.16 -3.34 -0.03 0.00 -1.02 0.00 0.00 32.58 28.35 1b8q s HIS 3 CO 0.72 -1.00 0.75 0.52 1.02 0.00 0.00 174.74 176.76 1b8q h MET 4 N 3.09 -0.19 0.00 1.40 2.07 -1.90 -3.47 114.93 115.93 1b8q h MET 4 Ca -0.48 0.01 -0.08 0.00 -2.07 0.00 0.00 59.70 57.08 1b8q h MET 4 Cb 1.22 0.04 0.01 0.00 -1.87 0.00 0.00 31.60 31.00 1b8q h MET 4 CO 0.64 -0.13 -0.00 -0.89 1.07 0.00 0.00 176.91 177.60 1b8q n ILE 5 N -2.73 0.00 -4.10 -1.22 2.08 -1.26 -4.19 119.36 107.94 1b8q n ILE 5 Ca -0.02 -0.31 -0.09 0.00 0.56 0.00 0.00 62.75 62.89 1b8q n ILE 5 Cb 0.08 -1.02 -0.10 0.00 -0.75 0.00 0.00 39.64 37.85 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1b8q s GLU 6 N -2.54 0.64 0.12 0.38 0.41 -1.26 -5.07 118.70 111.37 1b8q s GLU 6 Ca 0.10 -1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 53.21 1b8q s GLU 6 Cb -0.01 0.01 -0.09 0.00 -1.78 0.00 0.00 34.13 32.26 1b8q s GLU 6 CO 0.07 -0.06 1.62 -2.14 -0.49 0.00 0.00 175.26 174.26 1b8q s PRO 7 N -3.39 4.20 -0.38 0.39 0.02 -1.26 -4.94 135.00 129.63 1b8q s PRO 7 Ca 0.04 2.36 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1b8q s PRO 7 Cb 0.03 -3.39 0.16 0.00 0.02 0.00 0.00 34.50 31.32 1b8q s PRO 7 CO -0.06 -0.68 0.33 -0.80 -0.33 0.00 0.00 177.00 175.46 1b8q s ASN 8 N 1.84 1.68 -0.74 2.53 -0.87 0.31 -4.27 114.94 115.41 1b8q s ASN 8 Ca 0.72 -2.13 -0.25 0.00 -1.57 0.00 0.00 52.86 49.63 1b8q s ASN 8 Cb -0.42 0.10 0.04 0.00 -0.02 0.00 0.00 41.25 40.95 1b8q s ASN 8 CO 0.32 -0.24 1.20 0.54 -2.57 0.00 0.00 177.10 176.34 1b8q s VAL 9 N 0.97 3.92 0.03 1.60 0.11 -1.12 -2.76 120.40 123.15 1b8q s VAL 9 Ca 0.22 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1b8q s VAL 9 Cb -0.13 -4.86 0.01 0.00 -1.53 0.00 0.00 36.38 29.87 1b8q s VAL 9 CO -0.05 -1.75 0.07 0.00 -3.33 0.00 0.00 175.10 170.04 1b8q n ILE 10 N 6.26 0.00 -3.44 7.04 0.13 -0.84 -4.39 119.36 124.12 1b8q n ILE 10 Ca 0.03 -0.07 -0.20 0.00 -1.10 0.00 0.00 62.75 61.41 1b8q n ILE 10 Cb 0.48 0.08 -0.00 0.00 -0.84 0.00 0.00 39.64 39.35 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1b8q s SER 11 N -1.17 6.01 0.20 9.51 0.15 -1.26 -1.77 113.70 125.36 1b8q s SER 11 Ca 0.01 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.48 1b8q s SER 11 Cb -0.00 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 1b8q s SER 11 CO 0.01 -0.43 0.49 -0.69 1.20 0.00 0.00 173.24 173.82 1b8q s VAL 12 N -2.23 0.03 -0.06 4.45 1.01 0.42 -4.87 120.40 119.15 1b8q s VAL 12 Ca 0.44 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1b8q s VAL 12 Cb -0.10 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1b8q s VAL 12 CO 0.32 -0.14 0.17 -0.60 0.00 0.00 0.00 175.10 174.86 1b8q s ARG 13 N -3.90 0.20 0.00 2.72 3.52 -1.26 0.11 118.95 120.34 1b8q s ARG 13 Ca 0.12 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 1b8q s ARG 13 Cb -0.00 0.10 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1b8q s ARG 13 CO -0.01 -0.02 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.93 1b8q s LEU 14 N 0.08 2.03 0.20 -0.88 1.02 -0.56 -4.91 118.68 115.66 1b8q s LEU 14 Ca -0.00 -0.07 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 1b8q s LEU 14 Cb -0.01 -0.05 -0.08 0.00 0.02 0.00 0.00 46.19 46.07 1b8q s LEU 14 CO 0.00 -0.01 0.65 0.12 0.02 0.00 0.00 176.35 177.13 1b8q s PHE 15 N -0.17 3.60 -0.08 0.29 2.19 -1.26 0.15 117.98 122.70 1b8q s PHE 15 Ca -0.01 1.23 0.00 0.00 0.33 0.00 0.00 56.93 58.49 1b8q s PHE 15 Cb -0.01 -2.51 0.07 0.00 -1.31 0.00 0.00 43.02 39.26 1b8q s PHE 15 CO -0.00 0.34 1.08 1.63 1.83 0.00 0.00 175.22 180.11 1b8q n LYS 16 N 0.61 1.15 -2.68 10.12 5.02 -1.06 -3.76 118.16 127.56 1b8q n LYS 16 Ca -0.03 -0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 55.87 1b8q n LYS 16 Cb 0.52 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 1b8q n LYS 16 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1b8q n ARG 17 N 0.31 -2.70 -1.61 1.97 0.00 -1.26 0.15 116.66 113.52 1b8q n ARG 17 Ca 0.06 0.16 -0.04 0.00 -0.00 0.00 0.00 57.85 58.03 1b8q n ARG 17 Cb 0.62 -4.70 -0.01 0.00 0.00 0.00 0.00 32.46 28.37 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 -2.74 -1.68 -1.19 -0.14 0.00 -1.26 -4.43 118.16 106.71 1b8q n LYS 18 Ca -0.02 0.24 -0.05 0.00 -0.00 0.00 0.00 58.31 58.48 1b8q n LYS 18 Cb 0.52 -4.48 -0.02 0.00 -0.00 0.00 0.00 35.03 31.05 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 -1.83 0.00 -3.70 0.58 0.24 0.29 -4.53 118.33 109.37 1b8q n VAL 19 Ca -0.05 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 61.81 1b8q n VAL 19 Cb 0.28 0.48 0.04 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 -0.24 -0.83 2.28 7.63 0.00 0.39 -4.95 105.19 109.48 1b8q n GLY 20 Ca -0.20 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.69 3.49 0.48 -0.02 0.00 -0.48 -4.94 105.19 102.03 1b8q n GLY 21 Ca -0.14 -1.71 0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 3.00 0.00 0.00 0.99 4.07 -1.78 -3.37 115.31 118.21 1b8q h LEU 22 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1b8q h LEU 22 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1b8q h LEU 22 CO 0.52 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.49 1b8q n GLY 23 N -1.63 1.02 3.58 0.83 0.00 -1.26 -0.43 105.19 107.30 1b8q n GLY 23 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.79 0.82 1.61 -0.71 -1.26 0.72 117.98 116.36 1b8q s PHE 24 Ca 0.00 1.85 -0.09 0.00 -1.04 0.00 0.00 56.93 57.65 1b8q s PHE 24 Cb 0.00 0.31 0.14 0.00 -1.21 0.00 0.00 43.02 42.26 1b8q s PHE 24 CO 0.00 -0.38 1.14 -0.51 -1.34 0.00 0.00 175.22 174.12 1b8q s LEU 25 N 0.59 2.81 0.10 -1.99 1.43 -0.08 -4.82 118.68 116.72 1b8q s LEU 25 Ca -0.02 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1b8q s LEU 25 Cb -0.05 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1b8q s LEU 25 CO -0.03 -2.14 0.19 0.68 0.23 0.00 0.00 176.35 175.29 1b8q s VAL 26 N -3.48 0.13 -0.17 -1.59 -7.23 -1.26 -2.22 120.40 104.58 1b8q s VAL 26 Ca 0.68 -1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 1b8q s VAL 26 Cb -0.06 -1.44 0.07 0.00 0.56 0.00 0.00 36.38 35.51 1b8q s VAL 26 CO 0.48 -0.60 0.14 -1.59 -0.31 0.00 0.00 175.10 173.21 1b8q s LYS 27 N -3.88 0.09 -0.33 4.82 -2.85 0.23 -4.74 119.74 113.08 1b8q s LYS 27 Ca 0.07 0.08 -0.09 0.00 -1.00 0.00 0.00 55.97 55.04 1b8q s LYS 27 Cb 0.05 -1.45 0.01 0.00 -2.06 0.00 0.00 37.83 34.38 1b8q s LYS 27 CO -0.09 -0.62 0.14 -2.00 0.10 0.00 0.00 175.35 172.88 1b8q s GLU 28 N 2.21 3.04 0.09 1.78 -6.30 -1.26 -2.23 118.70 116.03 1b8q s GLU 28 Ca 0.04 -0.91 -0.31 0.00 -2.50 0.00 0.00 54.97 51.29 1b8q s GLU 28 Cb -0.15 -3.54 -0.08 0.00 0.00 0.00 0.00 34.13 30.35 1b8q s GLU 28 CO -0.09 -0.53 1.57 1.03 0.02 0.00 0.00 175.26 177.26 1b8q s ARG 29 N 1.54 4.23 0.59 4.30 3.00 -1.26 -4.84 118.95 126.50 1b8q s ARG 29 Ca 0.03 2.26 0.30 0.00 0.00 0.00 0.00 55.73 58.32 1b8q s ARG 29 Cb -0.18 -3.46 1.29 0.00 0.00 0.00 0.00 34.95 32.60 1b8q s ARG 29 CO 0.05 -0.65 1.63 0.28 0.00 0.00 0.00 175.30 176.61 1b8q h VAL 30 N 4.58 0.20 -1.40 3.52 2.07 -1.97 -3.28 116.25 119.97 1b8q h VAL 30 Ca -0.42 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 1b8q h VAL 30 Cb 1.20 0.31 -0.24 0.00 -1.52 0.00 0.00 31.29 31.04 1b8q h VAL 30 CO 0.92 0.00 -0.56 -0.94 0.02 0.00 0.00 177.57 177.01 1b8q s SER 31 N -4.41 -0.41 0.00 0.57 1.04 -1.26 -5.01 113.70 104.22 1b8q s SER 31 Ca -0.04 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1b8q s SER 31 Cb 0.16 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.65 1b8q s SER 31 CO 0.57 -0.20 0.00 0.29 0.98 0.00 0.00 173.24 174.88 1b8q n LYS 32 N 4.24 -2.01 -0.66 4.02 4.76 -1.24 -5.17 118.16 122.10 1b8q n LYS 32 Ca 0.12 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.36 1b8q n LYS 32 Cb 0.52 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.82 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 -0.03 -1.41 -0.95 1.97 -0.02 -1.26 -4.87 135.00 128.43 1b8q n PRO 33 Ca 0.00 -0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 60.70 1b8q n PRO 33 Cb 0.00 -1.35 0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.48 0.00 -1.70 0.52 -0.02 -1.24 -4.74 135.00 127.35 1b8q n PRO 34 Ca 0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 1b8q n PRO 34 Cb 0.39 -0.95 0.09 0.00 -0.02 0.00 0.00 33.50 33.01 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 -1.89 2.80 0.26 -1.45 0.11 -1.18 -4.78 120.40 114.26 1b8q s VAL 35 Ca 0.35 0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1b8q s VAL 35 Cb 0.06 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.79 1b8q s VAL 35 CO 0.65 -0.34 0.37 -0.51 -3.33 0.00 0.00 175.10 171.94 1b8q s ILE 36 N -3.30 0.00 0.26 7.04 1.10 -0.95 -4.44 121.20 120.92 1b8q s ILE 36 Ca 0.61 -1.65 -0.12 0.00 -0.51 0.00 0.00 60.65 58.98 1b8q s ILE 36 Cb -0.13 -2.40 -0.08 0.00 0.15 0.00 0.00 42.46 40.00 1b8q s ILE 36 CO 0.53 0.00 0.62 -0.63 -2.11 0.00 0.00 174.94 173.35 1b8q s ILE 37 N -3.82 4.83 -0.11 2.00 1.01 -1.26 0.74 121.20 124.59 1b8q s ILE 37 Ca 0.30 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 1b8q s ILE 37 Cb 0.02 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1b8q s ILE 37 CO 0.13 -0.11 -0.11 -0.24 0.00 0.00 0.00 174.94 174.62 1b8q n SER 38 N -0.20 2.53 -3.65 3.58 2.88 -0.94 -2.80 113.62 115.02 1b8q n SER 38 Ca 0.02 -0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1b8q n SER 38 Cb 0.53 -0.21 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 -5.29 -0.17 -0.33 -3.46 2.15 -1.26 -4.66 116.67 103.66 1b8q s ASP 39 Ca -0.15 0.32 -0.28 0.00 0.43 0.00 0.00 52.55 52.87 1b8q s ASP 39 Cb 0.04 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 43.02 1b8q s ASP 39 CO 0.23 -0.05 1.74 -0.76 -0.17 0.00 0.00 175.17 176.16 1b8q s LEU 40 N 0.15 3.54 0.02 -1.34 1.43 -1.26 -0.90 118.68 120.31 1b8q s LEU 40 Ca 0.05 1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 54.16 1b8q s LEU 40 Cb -0.05 -3.53 -0.16 0.00 0.03 0.00 0.00 46.19 42.49 1b8q s LEU 40 CO -0.13 -1.64 1.18 -0.29 0.23 0.00 0.00 176.35 175.69 1b8q h ILE 41 N 6.73 0.19 0.00 -0.59 6.09 -0.03 -3.42 117.51 126.48 1b8q h ILE 41 Ca -0.33 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 62.80 1b8q h ILE 41 Cb 1.16 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 38.70 1b8q h ILE 41 CO 1.03 0.03 -0.72 -1.14 -3.07 0.00 0.00 178.15 174.28 1b8q n ARG 42 N -5.35 0.48 0.00 2.19 0.00 -1.23 -4.99 116.66 107.76 1b8q n ARG 42 Ca -0.12 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1b8q n ARG 42 Cb 0.35 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.20 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 1.56 1.33 0.00 5.14 0.00 -1.26 -4.99 105.19 106.97 1b8q n GLY 43 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.55 0.00 0.00 -0.02 0.00 -1.26 -4.22 105.19 98.14 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 -1.59 0.00 0.38 4.61 0.00 -1.26 -4.19 120.51 118.46 1b8q n ALA 45 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1b8q n ALA 45 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1b8q n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8q h ALA 46 N -2.00 -1.17 -0.93 0.00 0.00 -1.04 -2.15 119.26 111.96 1b8q h ALA 46 Ca 0.00 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.95 1b8q h ALA 46 Cb 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.03 1b8q h ALA 46 CO 0.00 -1.10 0.42 1.49 0.00 0.00 0.00 179.25 180.06 1b8q h GLU 47 N -1.04 0.33 -0.95 0.00 4.57 -1.81 0.93 114.58 116.61 1b8q h GLU 47 Ca -0.10 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1b8q h GLU 47 Cb 0.74 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 1b8q h GLU 47 CO 0.16 0.22 0.62 0.37 -1.18 0.00 0.00 179.01 179.20 1b8q h GLN 48 N 0.34 1.16 -0.71 1.92 5.75 -1.70 -1.03 115.11 120.85 1b8q h GLN 48 Ca 0.62 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 59.16 1b8q h GLN 48 Cb 1.27 -0.26 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 1b8q h GLN 48 CO -0.58 0.77 0.31 1.03 -2.65 0.00 0.00 178.83 177.70 1b8q h SER 49 N 1.20 0.34 0.00 -0.69 0.87 0.16 -3.47 113.55 111.96 1b8q h SER 49 Ca 0.38 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1b8q h SER 49 Cb 0.01 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1b8q h SER 49 CO -0.11 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.97 1b8q n GLY 50 N -1.31 2.30 1.48 5.77 0.00 -0.39 -4.90 105.19 108.13 1b8q n GLY 50 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 4.89 -3.59 0.99 -0.00 -1.26 -3.83 117.00 114.19 1b8q n LEU 51 Ca 0.00 -2.83 -0.27 0.00 -0.00 0.00 0.00 56.01 52.90 1b8q n LEU 51 Cb 0.00 -0.60 -0.09 0.00 -0.00 0.00 0.00 43.42 42.72 1b8q n LEU 51 CO 0.00 0.68 0.04 -0.38 -0.00 0.00 0.00 177.39 177.73 1b8q n ILE 52 N 0.36 2.09 -4.06 1.47 -0.00 -1.26 -4.90 119.36 113.06 1b8q n ILE 52 Ca 0.25 -5.09 -0.35 0.00 -0.00 0.00 0.00 62.75 57.55 1b8q n ILE 52 Cb 1.02 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.64 38.46 1b8q n ILE 52 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1b8q s GLN 53 N -2.11 3.25 0.45 0.38 2.00 -1.26 -4.06 119.66 118.31 1b8q s GLN 53 Ca 0.34 -0.28 -0.25 0.00 -2.00 0.00 0.00 55.36 53.18 1b8q s GLN 53 Cb 0.08 -3.02 -0.08 0.00 0.80 0.00 0.00 33.01 30.80 1b8q s GLN 53 CO -0.07 0.73 1.36 0.00 -0.50 0.00 0.00 175.29 176.81 1b8q s ALA 54 N -1.04 3.18 -0.01 1.58 0.00 -1.26 -2.22 121.76 121.99 1b8q s ALA 54 Ca 0.17 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1b8q s ALA 54 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1b8q s ALA 54 CO 0.06 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1b8q n GLY 55 N 0.62 0.47 0.00 0.00 0.00 -1.12 -4.95 105.19 100.20 1b8q n GLY 55 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.06 0.00 -3.57 1.61 9.92 -0.94 -4.98 116.55 118.65 1b8q n ASP 56 Ca -0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1b8q n ASP 56 Cb 0.04 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.47 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 -0.70 -0.43 0.53 -1.16 -1.26 -4.92 121.20 113.26 1b8q s ILE 57 Ca 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.19 1b8q s ILE 57 Cb 0.00 -1.00 0.19 0.00 0.61 0.00 0.00 42.46 42.26 1b8q s ILE 57 CO 0.00 0.00 0.41 0.00 -2.81 0.00 0.00 174.94 172.54 1b8q n ILE 58 N 5.10 -0.77 0.03 2.00 0.13 -1.26 -4.85 119.36 119.74 1b8q n ILE 58 Ca -0.12 -3.74 -0.02 0.00 -1.10 0.00 0.00 62.75 57.77 1b8q n ILE 58 Cb 0.51 -1.78 -0.01 0.00 -0.84 0.00 0.00 39.64 37.52 1b8q n ILE 58 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1b8q h LEU 59 N 5.13 -0.14 -9.08 9.51 5.85 -1.78 -3.38 115.31 121.43 1b8q h LEU 59 Ca 0.21 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.25 1b8q h LEU 59 Cb 0.88 0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.76 1b8q h LEU 59 CO 0.43 0.23 -0.80 0.00 -0.34 0.00 0.00 178.44 177.96 1b8q s ALA 60 N -3.05 2.66 -0.06 1.25 0.00 -1.10 -3.04 121.76 118.42 1b8q s ALA 60 Ca -0.02 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1b8q s ALA 60 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1b8q s ALA 60 CO 0.07 0.59 0.24 0.08 0.00 0.00 0.00 175.76 176.74 1b8q s VAL 61 N -1.12 0.03 0.00 0.00 1.01 -1.24 -1.68 120.40 117.40 1b8q s VAL 61 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1b8q s VAL 61 Cb -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1b8q s VAL 61 CO 0.09 -0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.66 1b8q n ASN 62 N 2.36 0.00 0.00 3.32 3.02 0.43 -2.22 115.26 122.17 1b8q n ASN 62 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1b8q n ASN 62 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1b8q n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1b8q n ASP 63 N 1.36 0.00 -4.08 6.41 -0.08 -1.26 -3.98 116.55 114.92 1b8q n ASP 63 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1b8q n ASP 63 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1b8q n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b8q s ARG 64 N 0.00 0.97 -1.19 -0.67 1.04 -0.94 -5.07 118.95 113.10 1b8q s ARG 64 Ca 0.00 -0.44 -0.21 0.00 -1.04 0.00 0.00 55.73 54.04 1b8q s ARG 64 Cb 0.00 -0.94 0.01 0.00 -2.04 0.00 0.00 34.95 31.98 1b8q s ARG 64 CO 0.00 0.26 1.76 -1.25 -0.04 0.00 0.00 175.30 176.03 1b8q s PRO 65 N -0.31 3.38 -1.31 3.89 0.04 -1.26 -3.60 135.00 135.84 1b8q s PRO 65 Ca 0.05 -1.48 -0.15 0.00 0.04 0.00 0.00 61.00 59.46 1b8q s PRO 65 Cb -0.05 -5.39 -0.02 0.00 0.04 0.00 0.00 34.50 29.09 1b8q s PRO 65 CO -0.00 -2.83 2.23 -0.11 0.04 0.00 0.00 177.00 176.33 1b8q n LEU 66 N 10.63 6.38 0.08 -3.56 0.00 -1.17 -4.24 117.00 125.12 1b8q n LEU 66 Ca 0.44 -3.85 0.00 0.00 0.00 0.00 0.00 56.01 52.61 1b8q n LEU 66 Cb 0.47 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.38 1b8q n LEU 66 CO 0.71 0.86 -0.02 1.33 0.00 0.00 0.00 177.39 180.28 1b8q n VAL 67 N 5.12 0.78 -2.16 1.96 0.24 -1.26 -3.11 118.33 119.90 1b8q n VAL 67 Ca 0.54 0.26 0.03 0.00 -2.04 0.00 0.00 64.34 63.13 1b8q n VAL 67 Cb 0.37 -1.22 0.04 0.00 -1.47 0.00 0.00 33.84 31.56 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 -3.46 0.88 -2.04 -1.34 2.03 -1.26 -3.59 116.55 107.77 1b8q n ASP 68 Ca 0.00 -2.29 -0.00 0.00 0.52 0.00 0.00 54.79 53.01 1b8q n ASP 68 Cb 0.02 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b8q n LEU 69 N 0.04 0.00 -4.59 -2.67 -0.00 -1.26 -5.00 117.00 103.52 1b8q n LEU 69 Ca 0.06 -0.03 -0.43 0.00 -0.00 0.00 0.00 56.01 55.62 1b8q n LEU 69 Cb 0.93 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 44.32 1b8q n LEU 69 CO -0.03 -0.51 1.31 -0.44 -0.00 0.00 0.00 177.39 177.73 1b8q s SER 70 N -1.06 6.17 0.19 1.45 0.01 -1.26 -4.90 113.70 114.30 1b8q s SER 70 Ca 0.01 0.79 -0.23 0.00 1.31 0.00 0.00 55.95 57.83 1b8q s SER 70 Cb -0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1b8q s SER 70 CO 0.01 -1.58 1.56 0.22 0.41 0.00 0.00 173.24 173.86 1b8q h TYR 71 N 11.37 -1.25 0.00 2.43 3.20 -1.94 0.70 116.97 131.48 1b8q h TYR 71 Ca -0.28 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 1b8q h TYR 71 Cb 1.12 0.66 -0.00 0.00 1.54 0.00 0.00 36.73 40.05 1b8q h TYR 71 CO 0.98 -0.40 -0.11 0.22 -1.64 0.00 0.00 178.16 177.20 1b8q h ASP 72 N -0.10 0.00 0.02 -2.11 1.82 -1.95 -1.14 116.42 112.95 1b8q h ASP 72 Ca 0.24 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.63 1b8q h ASP 72 Cb 0.55 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.58 1b8q h ASP 72 CO -0.83 0.11 -0.97 -1.28 -1.61 0.00 0.00 179.24 174.66 1b8q h SER 73 N 0.00 0.87 -0.04 2.28 0.87 -0.23 -1.28 113.55 116.02 1b8q h SER 73 Ca -0.00 -0.66 -0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1b8q h SER 73 Cb 0.23 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1b8q h SER 73 CO 0.01 1.46 0.02 0.00 -0.53 0.00 0.00 176.83 177.80 1b8q h ALA 74 N 0.49 0.06 -0.06 6.23 0.00 0.44 0.39 119.26 126.80 1b8q h ALA 74 Ca -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1b8q h ALA 74 Cb 1.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1b8q h ALA 74 CO 0.19 -0.38 -0.12 -0.07 0.00 0.00 0.00 179.25 178.86 1b8q h LEU 75 N -0.05 0.08 -0.27 0.00 3.38 -1.28 -1.82 115.31 115.34 1b8q h LEU 75 Ca 0.01 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1b8q h LEU 75 Cb 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b8q h LEU 75 CO -0.00 0.21 -0.70 -0.08 0.09 0.00 0.00 178.44 177.96 1b8q h GLU 76 N 0.08 0.71 -0.74 1.13 4.57 -0.55 0.24 114.58 120.02 1b8q h GLU 76 Ca 0.02 -0.54 0.03 0.00 -1.18 0.00 0.00 59.36 57.68 1b8q h GLU 76 Cb 0.27 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1b8q h GLU 76 CO 0.02 1.16 0.47 0.28 -1.18 0.00 0.00 179.01 179.76 1b8q h VAL 77 N 0.51 1.13 0.00 0.32 2.07 0.57 -1.96 116.25 118.88 1b8q h VAL 77 Ca -0.03 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 66.98 1b8q h VAL 77 Cb 1.31 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1b8q h VAL 77 CO 0.14 0.17 -0.93 0.17 0.02 0.00 0.00 177.57 177.14 1b8q h LEU 78 N 0.93 0.00 -1.22 2.57 8.10 -1.35 -3.28 115.31 121.07 1b8q h LEU 78 Ca 0.29 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.30 1b8q h LEU 78 Cb -0.02 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1b8q h LEU 78 CO -0.10 0.93 0.53 0.03 -4.11 0.00 0.00 178.44 175.72 1b8q h ARG 79 N 0.00 1.03 -0.01 0.17 -0.00 0.20 -1.01 114.38 114.77 1b8q h ARG 79 Ca -0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1b8q h ARG 79 Cb 1.65 -0.23 -0.00 0.00 0.00 0.00 0.00 29.97 31.39 1b8q h ARG 79 CO 0.12 0.68 0.02 0.78 0.00 0.00 0.00 179.97 181.57 1b8q h GLY 80 N 1.06 0.00 -5.99 0.04 0.00 -1.47 -3.42 103.07 93.30 1b8q h GLY 80 Ca 0.30 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.06 1b8q h GLY 80 CO -0.07 0.00 1.29 1.39 0.00 0.00 0.00 176.54 179.14 1b8q n ILE 81 N -3.41 0.58 -0.21 2.60 5.41 -0.38 -4.97 119.36 118.98 1b8q n ILE 81 Ca -0.03 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1b8q n ILE 81 Cb 0.10 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 36.79 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 8.60 0.00 -2.69 -1.39 0.00 -1.26 -4.85 120.51 118.92 1b8q n ALA 82 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1b8q n ALA 82 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.15 0.07 -2.68 0.00 7.64 -1.26 -4.51 113.62 110.73 1b8q n SER 83 Ca 0.00 -1.05 -0.08 0.00 1.01 0.00 0.00 58.87 58.75 1b8q n SER 83 Cb 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.06 -2.67 -4.31 1.43 1.02 -1.26 -4.89 120.64 108.90 1b8q n GLU 84 Ca 0.01 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.21 1b8q n GLU 84 Cb 0.02 -4.78 -0.10 0.00 -0.02 0.00 0.00 31.44 26.57 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 -2.33 1.25 0.52 2.62 -1.32 -1.26 -5.05 115.64 110.07 1b8q s THR 85 Ca 0.08 -2.08 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 1b8q s THR 85 Cb -0.05 -2.10 0.05 0.00 -1.51 0.00 0.00 72.50 68.89 1b8q s THR 85 CO 0.10 -0.54 0.61 -1.00 -2.21 0.00 0.00 174.62 171.58 1b8q s HIS 86 N -3.28 1.83 0.25 9.09 3.76 -1.26 -2.56 115.29 123.13 1b8q s HIS 86 Ca 0.23 -0.68 -0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1b8q s HIS 86 Cb 0.03 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 1b8q s HIS 86 CO 0.05 -0.74 0.31 0.54 -0.85 0.00 0.00 174.74 174.05 1b8q s VAL 87 N -2.62 0.00 0.22 -0.90 0.11 0.41 -4.77 120.40 112.85 1b8q s VAL 87 Ca 0.52 -1.75 0.10 0.00 -2.93 0.00 0.00 61.98 57.92 1b8q s VAL 87 Cb -0.05 -2.44 -0.05 0.00 -1.53 0.00 0.00 36.38 32.32 1b8q s VAL 87 CO 0.32 0.00 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.21 1b8q s VAL 88 N -3.86 2.13 -0.06 2.04 1.01 -1.26 -1.49 120.40 118.92 1b8q s VAL 88 Ca 0.33 -2.20 -0.17 0.00 0.00 0.00 0.00 61.98 59.94 1b8q s VAL 88 Cb 0.03 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1b8q s VAL 88 CO 0.14 -0.39 0.38 -0.76 0.00 0.00 0.00 175.10 174.47 1b8q s LEU 89 N -3.16 0.56 -0.12 3.92 1.43 0.30 0.16 118.68 121.77 1b8q s LEU 89 Ca 0.24 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1b8q s LEU 89 Cb -0.04 1.46 0.02 0.00 0.03 0.00 0.00 46.19 47.65 1b8q s LEU 89 CO 0.10 -0.39 -0.13 -0.63 0.23 0.00 0.00 176.35 175.54 1b8q s ILE 90 N -0.90 1.37 0.34 -0.59 -1.09 -0.68 0.16 121.20 119.82 1b8q s ILE 90 Ca -0.10 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1b8q s ILE 90 Cb -0.04 -1.29 -0.03 0.00 -1.58 0.00 0.00 42.46 39.52 1b8q s ILE 90 CO 0.04 0.42 0.27 -0.76 -1.23 0.00 0.00 174.94 173.68 1b8q s LEU 91 N 1.28 3.53 0.31 2.97 1.43 -0.73 -2.73 118.68 124.74 1b8q s LEU 91 Ca -0.01 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1b8q s LEU 91 Cb -0.14 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1b8q s LEU 91 CO -0.05 -0.36 0.16 -0.13 0.23 0.00 0.00 176.35 176.19 1b8q s ARG 92 N -3.97 2.52 0.00 1.70 1.81 -1.11 -1.99 118.95 117.91 1b8q s ARG 92 Ca 0.41 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.03 1b8q s ARG 92 Cb -0.05 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.15 1b8q s ARG 92 CO 0.26 0.20 0.00 0.41 -0.68 0.00 0.00 175.30 175.49 1b8q n GLY 93 N -1.16 2.91 0.00 -3.53 0.00 -1.24 0.11 105.19 102.29 1b8q n GLY 93 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8q n PRO 94 N 0.00 1.59 -4.58 1.61 -0.04 -1.26 -4.65 135.00 127.66 1b8q n PRO 94 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1b8q n PRO 94 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1b8q s GLU 95 N 0.02 1.54 0.00 0.54 2.02 -1.26 -4.68 118.70 116.88 1b8q s GLU 95 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1b8q s GLU 95 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1b8q s GLU 95 CO 0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1b8q n GLY 96 N 3.59 0.75 2.74 -1.39 0.00 -1.26 -5.06 105.19 104.56 1b8q n GLY 96 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.19 0.05 -0.20 1.61 0.40 -1.26 -1.36 117.98 115.03 1b8q s PHE 97 Ca 0.00 0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 1b8q s PHE 97 Cb 0.00 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.22 1b8q s PHE 97 CO 0.00 -0.12 1.07 0.95 0.70 0.00 0.00 175.22 177.82 1b8q s THR 98 N 1.38 4.64 -0.66 0.64 -4.23 0.37 -4.58 115.64 113.20 1b8q s THR 98 Ca -0.05 1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 62.35 1b8q s THR 98 Cb -0.13 -4.27 0.17 0.00 1.34 0.00 0.00 72.50 69.61 1b8q s THR 98 CO -0.03 -0.15 0.52 0.28 -0.54 0.00 0.00 174.62 174.70 1b8q s THR 99 N 3.07 4.38 0.00 3.99 -1.32 -1.24 0.30 115.64 124.82 1b8q s THR 99 Ca 0.46 -2.58 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 1b8q s THR 99 Cb -0.16 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 1b8q s THR 99 CO 0.09 -0.90 0.00 1.57 -2.21 0.00 0.00 174.62 173.17 1b8q n HIS 100 N 3.91 -1.49 -3.90 9.09 -0.00 -0.37 -4.63 115.22 117.83 1b8q n HIS 100 Ca 0.07 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.00 1b8q n HIS 100 Cb 0.41 0.00 -0.17 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 1.00 -0.34 0.27 0.05 -1.26 -2.92 118.68 115.48 1b8q s LEU 101 Ca 0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 54.13 53.96 1b8q s LEU 101 Cb 0.00 -0.67 0.28 0.00 -2.05 0.00 0.00 46.19 43.75 1b8q s LEU 101 CO 0.00 -0.14 1.25 1.21 -0.55 0.00 0.00 176.35 178.12 1b8q n GLU 102 N 4.91 0.19 -2.82 1.48 2.13 -1.20 -4.95 120.64 120.39 1b8q n GLU 102 Ca -0.12 -0.79 -0.01 0.00 0.66 0.00 0.00 57.16 56.90 1b8q n GLU 102 Cb 0.50 -0.31 0.01 0.00 0.27 0.00 0.00 31.44 31.91 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 1.28 0.00 -3.85 6.31 5.66 -1.07 -4.91 114.28 117.71 1b8q n THR 103 Ca 0.00 -0.28 -0.12 0.00 -3.05 0.00 0.00 64.05 60.60 1b8q n THR 103 Cb 0.71 0.42 -0.14 0.00 -1.55 0.00 0.00 70.33 69.77 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 -2.26 -0.01 0.31 1.09 -4.23 -1.26 -4.46 115.64 104.82 1b8q s THR 104 Ca 0.13 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1b8q s THR 104 Cb -0.01 -0.07 -0.08 0.00 1.34 0.00 0.00 72.50 73.67 1b8q s THR 104 CO 0.03 0.01 0.68 0.72 -0.54 0.00 0.00 174.62 175.52 1b8q s PHE 105 N 0.15 3.40 0.07 3.99 -0.12 -1.26 -4.62 117.98 119.58 1b8q s PHE 105 Ca -0.01 1.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.95 1b8q s PHE 105 Cb -0.02 -2.43 0.00 0.00 -0.63 0.00 0.00 43.02 39.94 1b8q s PHE 105 CO -0.00 0.12 0.00 2.41 -0.05 0.00 0.00 175.22 177.69 1b8q n THR 106 N -0.45 0.05 -0.96 -4.49 -1.04 -1.26 -4.82 114.28 101.31 1b8q n THR 106 Ca 0.02 0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.69 1b8q n THR 106 Cb 0.53 -0.67 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 1b8q n THR 106 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b8q n GLY 107 N 1.77 2.59 2.56 3.41 0.00 -1.26 -4.22 105.19 110.04 1b8q n GLY 107 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 6.52 -4.76 -0.26 1.61 8.00 -1.26 -2.10 116.55 124.30 1b8q n ASP 108 Ca 0.46 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1b8q n ASP 108 Cb 0.31 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8q n GLY 109 N -0.97 0.98 0.13 0.44 0.00 -1.26 -5.03 105.19 99.48 1b8q n GLY 109 Ca -0.17 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.50 1.68 -0.02 2.61 5.66 -0.89 -4.37 114.28 117.44 1b8q n THR 110 Ca 0.00 -0.39 -0.14 0.00 -3.05 0.00 0.00 64.05 60.47 1b8q n THR 110 Cb 0.28 -1.86 -0.02 0.00 -1.55 0.00 0.00 70.33 67.18 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 -0.39 0.71 -1.97 1.09 0.11 -1.86 -3.39 132.00 126.30 1b8q h PRO 111 Ca -0.40 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.21 1b8q h PRO 111 Cb 1.73 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.92 1b8q h PRO 111 CO -0.04 1.13 -0.46 1.17 -0.21 0.00 0.00 178.00 179.58 1b8q n LYS 112 N -3.95 -2.50 -0.26 1.05 3.00 -1.26 -4.65 118.16 109.59 1b8q n LYS 112 Ca -0.05 1.81 0.03 0.00 -0.00 0.00 0.00 58.31 60.10 1b8q n LYS 112 Cb 0.67 -2.00 0.16 0.00 0.00 0.00 0.00 35.03 33.86 1b8q n LYS 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1b8q h THR 113 N 1.39 0.81 -2.67 3.15 2.02 -1.78 -3.32 112.91 112.51 1b8q h THR 113 Ca 0.00 -0.20 -0.68 0.00 0.77 0.00 0.00 66.41 66.30 1b8q h THR 113 Cb 0.00 0.16 -0.18 0.00 -1.74 0.00 0.00 68.15 66.39 1b8q h THR 113 CO 0.00 0.11 0.55 -0.51 0.37 0.00 0.00 175.52 176.04 1b8q s ILE 114 N -6.04 4.68 -0.35 3.11 -1.16 -1.26 -2.58 121.20 117.60 1b8q s ILE 114 Ca -0.12 -1.15 0.04 0.00 -0.51 0.00 0.00 60.65 58.91 1b8q s ILE 114 Cb 0.19 -4.67 0.17 0.00 0.61 0.00 0.00 42.46 38.75 1b8q s ILE 114 CO 0.77 -1.39 0.48 -0.60 -2.81 0.00 0.00 174.94 171.39 1b8q s ARG 115 N 2.94 0.62 -0.45 3.50 3.00 -1.18 -4.92 118.95 122.45 1b8q s ARG 115 Ca 0.24 -0.26 0.07 0.00 -1.00 0.00 0.00 55.73 54.78 1b8q s ARG 115 Cb -0.13 -0.27 0.29 0.00 0.00 0.00 0.00 34.95 34.84 1b8q s ARG 115 CO -0.00 -1.13 0.95 0.28 0.00 0.00 0.00 175.30 175.40 1b8q n VAL 116 N 4.74 -0.07 -2.58 7.11 0.31 -1.15 -4.59 118.33 122.10 1b8q n VAL 116 Ca 0.07 -2.04 -0.42 0.00 -0.01 0.00 0.00 64.34 61.94 1b8q n VAL 116 Cb 0.51 1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 34.44 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 -0.00 4.51 -0.04 2.52 2.01 -1.23 -1.23 115.64 122.18 1b8q s THR 117 Ca 0.28 1.81 -0.03 0.00 0.31 0.00 0.00 61.69 64.06 1b8q s THR 117 Cb 0.27 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.64 1b8q s THR 117 CO -0.12 0.11 0.10 0.00 -0.69 0.00 0.00 174.62 174.02 1b8q s GLN 118 N 1.29 0.08 0.23 4.92 -2.07 0.15 -4.87 119.66 119.39 1b8q s GLN 118 Ca 0.54 0.23 -0.32 0.00 -1.82 0.00 0.00 55.36 53.99 1b8q s GLN 118 Cb -0.24 -0.07 -0.13 0.00 -1.09 0.00 0.00 33.01 31.48 1b8q s GLN 118 CO 0.26 -0.09 1.49 -0.35 -1.32 0.00 0.00 175.29 175.29 1b8q n PRO 119 N 3.61 2.22 0.00 9.60 -0.04 -1.26 0.14 135.00 149.26 1b8q n PRO 119 Ca -0.19 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1b8q n PRO 119 Cb 0.55 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1b8q n PRO 119 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b8q n LEU 120 N 2.47 0.59 0.00 1.53 4.77 -0.46 -4.78 117.00 121.12 1b8q n LEU 120 Ca 0.12 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1b8q n LEU 120 Cb 0.32 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1b8q n LEU 120 CO 0.63 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1b8q n GLY 121 N 1.58 0.67 3.19 -0.72 0.00 -1.26 -5.08 105.19 103.57 1b8q n GLY 121 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1b8q n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 122 N 0.56 -0.27 -0.76 1.61 -0.02 -1.26 -4.95 135.00 129.92 1b8q n PRO 122 Ca 0.00 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 1b8q n PRO 122 Cb 0.00 -1.41 0.25 0.00 -0.02 0.00 0.00 33.50 32.31 1b8q n PRO 122 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b8q s PRO 123 N -2.80 -1.40 -0.23 0.52 0.04 -1.26 -5.08 135.00 124.79 1b8q s PRO 123 Ca 0.48 0.31 -0.07 0.00 0.04 0.00 0.00 61.00 61.76 1b8q s PRO 123 Cb -0.16 -1.54 0.11 0.00 0.04 0.00 0.00 34.50 32.95 1b8q s PRO 123 CO 0.74 -3.91 0.47 -0.08 0.04 0.00 0.00 177.00 174.26 1b8q s THR 124 N -2.65 -0.74 -1.20 1.26 -1.32 -1.26 -4.92 115.64 104.81 1b8q s THR 124 Ca 0.69 0.09 -0.06 0.00 -1.21 0.00 0.00 61.69 61.20 1b8q s THR 124 Cb -0.16 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1b8q s THR 124 CO 0.59 0.03 1.04 1.17 -2.21 0.00 0.00 174.62 175.24 1b8q n LYS 125 N 5.40 -6.98 0.12 7.08 4.81 -1.26 -4.87 118.16 122.47 1b8q n LYS 125 Ca -0.08 0.77 0.10 0.00 -0.87 0.00 0.00 58.31 58.23 1b8q n LYS 125 Cb 0.49 -5.61 0.47 0.00 0.02 0.00 0.00 35.03 30.41 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b8q n ALA 126 N -4.53 1.43 -0.05 3.14 0.00 -1.26 -5.37 120.51 113.87 1b8q n ALA 126 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1b8q n ALA 126 Cb 0.59 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83