#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8b s VAL 2 N 0.00 5.31 0.01 6.31 1.01 -1.26 -3.72 120.40 128.06 2q8b s VAL 2 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2q8b s VAL 2 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2q8b s VAL 2 CO 0.00 0.47 -0.06 -1.10 0.00 0.00 0.00 175.10 174.41 2q8b s GLN 3 N -0.06 0.46 -0.18 2.72 -0.21 -0.81 -4.98 119.66 116.60 2q8b s GLN 3 Ca 0.16 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.13 2q8b s GLN 3 Cb -0.13 -0.36 -0.01 0.00 1.00 0.00 0.00 33.01 33.50 2q8b s GLN 3 CO 0.05 0.09 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.72 2q8b s LEU 4 N -0.64 2.92 -0.12 2.90 1.43 -1.26 -1.18 118.68 122.72 2q8b s LEU 4 Ca -0.02 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2q8b s LEU 4 Cb -0.05 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2q8b s LEU 4 CO 0.00 0.09 -0.03 -1.10 0.23 0.00 0.00 176.35 175.54 2q8b s GLN 5 N 0.84 1.07 0.12 1.70 -0.21 -0.05 -4.81 119.66 118.32 2q8b s GLN 5 Ca -0.02 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.12 2q8b s GLN 5 Cb -0.15 -1.51 -0.05 0.00 1.00 0.00 0.00 33.01 32.30 2q8b s GLN 5 CO 0.01 -0.36 0.34 -0.65 -2.12 0.00 0.00 175.29 172.51 2q8b s GLN 6 N 1.81 3.59 1.03 2.91 -0.21 -1.26 -0.19 119.66 127.33 2q8b s GLN 6 Ca 0.03 -0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.15 2q8b s GLN 6 Cb -0.14 -2.91 0.21 0.00 1.00 0.00 0.00 33.01 31.18 2q8b s GLN 6 CO -0.07 0.51 1.08 -1.54 -2.12 0.00 0.00 175.29 173.15 2q8b s SER 7 N -2.37 2.08 0.79 5.90 1.04 -0.85 -4.99 113.70 115.29 2q8b s SER 7 Ca 0.39 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 2q8b s SER 7 Cb -0.12 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.72 2q8b s SER 7 CO 0.24 -3.55 1.09 -0.83 0.98 0.00 0.00 173.24 171.17 2q8b s GLY 8 N -2.77 1.65 0.24 7.32 0.00 -1.26 -4.68 107.32 107.82 2q8b s GLY 8 Ca 0.67 0.10 -0.31 0.00 0.00 0.00 0.00 44.72 45.17 2q8b s GLY 8 CO 0.61 0.48 1.39 0.00 0.00 0.00 0.00 173.10 175.58 2q8b n ALA 9 N -3.51 1.03 -3.26 3.20 0.00 -1.26 -4.81 120.51 111.89 2q8b n ALA 9 Ca 0.08 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.60 2q8b n ALA 9 Cb 0.54 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 2q8b n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2q8b s GLU 10 N -0.47 3.25 -0.24 0.00 0.41 -0.25 -5.01 118.70 116.40 2q8b s GLU 10 Ca 0.68 -0.75 -0.06 0.00 -0.41 0.00 0.00 54.97 54.43 2q8b s GLU 10 Cb -0.65 -2.57 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2q8b s GLU 10 CO 0.50 0.12 0.02 -1.17 -0.49 0.00 0.00 175.26 174.25 2q8b s LEU 11 N 0.55 3.22 0.05 1.80 2.96 -1.26 -0.13 118.68 125.87 2q8b s LEU 11 Ca -0.10 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2q8b s LEU 11 Cb -0.16 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2q8b s LEU 11 CO 0.04 -0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.24 2q8b s LEU 12 N 1.54 2.38 0.45 -0.68 1.43 0.54 -4.99 118.68 119.36 2q8b s LEU 12 Ca 0.06 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 2q8b s LEU 12 Cb -0.15 0.07 -0.07 0.00 0.03 0.00 0.00 46.19 46.08 2q8b s LEU 12 CO 0.01 -0.43 0.86 0.00 0.23 0.00 0.00 176.35 177.02 2q8b s ARG 13 N -2.83 3.84 0.55 1.70 1.04 -1.24 0.19 118.95 122.21 2q8b s ARG 13 Ca -0.02 0.67 -0.19 0.00 -1.04 0.00 0.00 55.73 55.15 2q8b s ARG 13 Cb -0.00 -2.28 -0.07 0.00 -2.04 0.00 0.00 34.95 30.55 2q8b s ARG 13 CO -0.05 -0.14 0.81 -2.30 -0.04 0.00 0.00 175.30 173.58 2q8b n PRO 14 N -1.45 0.83 0.00 3.89 -0.02 -1.26 -2.92 135.00 134.07 2q8b n PRO 14 Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2q8b n PRO 14 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2q8b n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q8b n GLY 15 N 1.46 2.49 0.14 -1.23 0.00 0.91 -4.87 105.19 104.10 2q8b n GLY 15 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2q8b n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q8b n ALA 16 N -0.40 -0.02 -2.32 4.61 0.00 -1.15 -4.41 120.51 116.82 2q8b n ALA 16 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2q8b n ALA 16 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2q8b n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q8b s SER 17 N -1.16 0.27 -0.05 0.00 1.04 -1.26 0.00 113.70 112.54 2q8b s SER 17 Ca 0.03 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.39 2q8b s SER 17 Cb -0.00 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2q8b s SER 17 CO 0.02 -0.72 0.21 0.54 0.98 0.00 0.00 173.24 174.26 2q8b s VAL 18 N -3.96 0.03 -0.33 5.02 0.11 -0.58 -5.00 120.40 115.70 2q8b s VAL 18 Ca 0.14 -0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2q8b s VAL 18 Cb 0.06 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2q8b s VAL 18 CO -0.04 -0.15 0.08 -0.75 -3.33 0.00 0.00 175.10 170.91 2q8b s LYS 19 N -0.53 2.61 0.06 1.54 2.47 -1.26 -0.56 119.74 124.06 2q8b s LYS 19 Ca -0.06 -1.18 -0.16 0.00 -1.56 0.00 0.00 55.97 53.01 2q8b s LYS 19 Cb -0.04 -3.39 -0.06 0.00 -1.46 0.00 0.00 37.83 32.87 2q8b s LYS 19 CO 0.01 -0.64 0.49 -0.51 0.16 0.00 0.00 175.35 174.86 2q8b s LEU 20 N 1.38 4.45 0.17 5.43 1.43 0.24 -4.94 118.68 126.84 2q8b s LEU 20 Ca -0.02 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 2q8b s LEU 20 Cb -0.19 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2q8b s LEU 20 CO 0.02 0.25 -0.05 -0.94 0.23 0.00 0.00 176.35 175.86 2q8b s SER 21 N -1.28 4.54 -0.33 2.29 1.04 -1.26 -0.90 113.70 117.80 2q8b s SER 21 Ca 0.29 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2q8b s SER 21 Cb -0.17 -0.89 0.12 0.00 0.10 0.00 0.00 66.02 65.18 2q8b s SER 21 CO 0.17 0.10 0.17 0.00 0.98 0.00 0.00 173.24 174.66 2q8b s ILE 23 N 1.51 5.00 -0.23 0.00 1.01 0.73 -1.47 121.20 127.75 2q8b s ILE 23 Ca 0.14 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 2q8b s ILE 23 Cb -0.20 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2q8b s ILE 23 CO -0.16 -0.15 0.21 -0.69 0.00 0.00 0.00 174.94 174.15 2q8b s VAL 24 N 2.45 5.33 0.15 2.92 1.01 -0.87 -0.87 120.40 130.53 2q8b s VAL 24 Ca 0.21 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.56 2q8b s VAL 24 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2q8b s VAL 24 CO 0.12 0.33 -0.02 -0.44 0.00 0.00 0.00 175.10 175.10 2q8b s SER 25 N 0.99 4.73 0.00 3.32 0.01 -0.33 -4.70 113.70 117.72 2q8b s SER 25 Ca 0.10 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2q8b s SER 25 Cb -0.14 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2q8b s SER 25 CO 0.05 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2q8b n GLY 26 N 0.11 0.31 3.33 3.44 0.00 -1.24 -1.93 105.19 109.20 2q8b n GLY 26 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2q8b n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2q8b s PHE 27 N -1.65 -0.63 -0.29 1.61 5.36 -1.26 -4.57 117.98 116.55 2q8b s PHE 27 Ca 0.00 1.36 -0.29 0.00 -0.96 0.00 0.00 56.93 57.04 2q8b s PHE 27 Cb 0.00 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2q8b s PHE 27 CO 0.00 -0.34 1.22 0.15 -1.46 0.00 0.00 175.22 174.79 2q8b s LYS 28 N 1.19 3.99 0.27 10.12 1.02 -1.26 -4.93 119.74 130.14 2q8b s LYS 28 Ca -0.08 1.23 0.26 0.00 0.02 0.00 0.00 55.97 57.40 2q8b s LYS 28 Cb -0.07 -3.82 0.81 0.00 -0.52 0.00 0.00 37.83 34.23 2q8b s LYS 28 CO -0.11 -1.01 1.75 -0.84 -0.92 0.00 0.00 175.35 174.22 2q8b h ILE 29 N 5.84 0.00 -0.62 2.17 3.07 -1.91 -3.38 117.51 122.69 2q8b h ILE 29 Ca -0.24 -0.51 0.13 0.00 1.55 0.00 0.00 64.86 65.79 2q8b h ILE 29 Cb 1.09 1.45 -0.04 0.00 -0.27 0.00 0.00 36.82 39.05 2q8b h ILE 29 CO 1.03 0.00 0.42 0.07 -1.05 0.00 0.00 178.15 178.62 2q8b h LYS 30 N 0.00 0.29 0.00 0.16 -0.00 -1.91 0.72 116.57 115.83 2q8b h LYS 30 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2q8b h LYS 30 Cb 0.69 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.85 2q8b h LYS 30 CO 0.00 0.19 0.00 -0.25 -0.00 0.00 0.00 179.45 179.39 2q8b n ASP 31 N -4.45 0.62 -4.19 7.07 8.00 -1.26 -3.63 116.55 118.71 2q8b n ASP 31 Ca 0.11 0.56 -0.31 0.00 0.71 0.00 0.00 54.79 55.86 2q8b n ASP 31 Cb 0.48 -0.73 -0.17 0.00 -0.02 0.00 0.00 41.12 40.68 2q8b n ASP 31 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2q8b s THR 32 N -3.09 1.96 0.61 -3.53 -4.23 0.25 -5.07 115.64 102.54 2q8b s THR 32 Ca 0.11 -0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 59.49 2q8b s THR 32 Cb 0.14 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 2q8b s THR 32 CO 0.57 0.54 1.19 -0.44 -0.54 0.00 0.00 174.62 175.93 2q8b s SER 33 N 0.49 5.10 -0.08 3.99 0.01 -1.26 -4.48 113.70 117.46 2q8b s SER 33 Ca -0.16 2.32 0.01 0.00 1.31 0.00 0.00 55.95 59.43 2q8b s SER 33 Cb -0.17 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.49 2q8b s SER 33 CO 0.06 -1.65 -0.10 -0.04 0.41 0.00 0.00 173.24 171.92 2q8b s MET 34 N -3.49 1.57 0.13 12.44 -1.94 -0.38 -1.45 119.30 126.17 2q8b s MET 34 Ca 0.75 -0.32 0.07 0.00 -1.71 0.00 0.00 55.69 54.48 2q8b s MET 34 Cb -0.28 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 2q8b s MET 34 CO 0.35 -0.10 -0.07 -1.01 -0.01 0.00 0.00 175.02 174.17 2q8b s HIS 35 N 1.12 2.76 -0.06 -0.03 3.76 -1.08 -0.67 115.29 121.10 2q8b s HIS 35 Ca -0.06 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 2q8b s HIS 35 Cb -0.14 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 2q8b s HIS 35 CO -0.02 0.46 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.53 2q8b s TRP 36 N -1.39 2.21 -0.02 1.40 0.52 -0.78 -0.38 118.94 120.50 2q8b s TRP 36 Ca 0.23 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.73 2q8b s TRP 36 Cb -0.10 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2q8b s TRP 36 CO 0.15 -0.21 -0.17 0.08 0.02 0.00 0.00 176.95 176.81 2q8b s VAL 37 N -0.06 1.38 -0.11 4.03 1.01 -0.01 -1.62 120.40 125.01 2q8b s VAL 37 Ca -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2q8b s VAL 37 Cb -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2q8b s VAL 37 CO 0.04 0.39 -0.03 -0.75 0.00 0.00 0.00 175.10 174.75 2q8b s LYS 38 N -0.31 3.23 -0.19 2.72 2.20 0.86 -0.50 119.74 127.75 2q8b s LYS 38 Ca 0.04 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2q8b s LYS 38 Cb -0.08 -2.81 0.06 0.00 -1.51 0.00 0.00 37.83 33.50 2q8b s LYS 38 CO -0.00 0.50 0.06 -1.14 -0.36 0.00 0.00 175.35 174.41 2q8b s GLN 39 N -0.33 0.43 0.53 4.03 0.74 -0.35 -0.23 119.66 124.48 2q8b s GLN 39 Ca 0.06 -0.33 -0.19 0.00 0.05 0.00 0.00 55.36 54.95 2q8b s GLN 39 Cb -0.12 -1.98 -0.06 0.00 1.10 0.00 0.00 33.01 31.94 2q8b s GLN 39 CO 0.02 -0.68 1.06 1.03 -0.55 0.00 0.00 175.29 176.17 2q8b s ARG 40 N 1.96 3.57 -0.30 1.67 0.52 -1.26 -1.10 118.95 124.01 2q8b s ARG 40 Ca 0.01 1.35 -0.44 0.00 -0.52 0.00 0.00 55.73 56.13 2q8b s ARG 40 Cb -0.17 -2.06 -0.19 0.00 0.52 0.00 0.00 34.95 33.05 2q8b s ARG 40 CO -0.10 -0.62 1.45 -2.30 0.02 0.00 0.00 175.30 173.75 2q8b n PRO 41 N -1.36 0.17 -1.74 3.54 -0.02 -1.26 -0.97 135.00 133.36 2q8b n PRO 41 Ca 0.09 0.06 -0.17 0.00 -2.02 0.00 0.00 63.50 61.46 2q8b n PRO 41 Cb 0.52 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 2q8b n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2q8b n GLU 42 N 3.33 -1.52 -3.16 -0.52 1.02 -1.26 -4.96 120.64 113.57 2q8b n GLU 42 Ca 0.27 0.98 -0.14 0.00 -0.02 0.00 0.00 57.16 58.24 2q8b n GLU 42 Cb 0.01 -5.38 -0.03 0.00 -0.02 0.00 0.00 31.44 26.02 2q8b n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2q8b n GLN 43 N -2.35 1.43 -2.11 3.49 6.02 -0.15 -5.16 117.38 118.56 2q8b n GLN 43 Ca -0.18 -1.61 -0.27 0.00 -0.01 0.00 0.00 57.00 54.93 2q8b n GLN 43 Cb 0.59 0.45 0.08 0.00 1.02 0.00 0.00 30.24 32.38 2q8b n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2q8b s GLY 44 N -2.21 1.66 0.22 1.08 0.00 -1.26 -4.70 107.32 102.11 2q8b s GLY 44 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 2q8b s GLY 44 CO 0.00 -0.42 0.97 1.08 0.00 0.00 0.00 173.10 174.73 2q8b s LEU 45 N -5.36 4.61 -0.10 0.66 1.43 -1.26 -4.28 118.68 114.37 2q8b s LEU 45 Ca 0.61 1.97 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 2q8b s LEU 45 Cb -0.10 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.53 2q8b s LEU 45 CO 0.46 0.07 -0.07 -1.61 0.23 0.00 0.00 176.35 175.44 2q8b s GLU 46 N -0.99 1.41 -0.20 1.70 2.02 0.68 -4.97 118.70 118.35 2q8b s GLU 46 Ca 0.43 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.91 2q8b s GLU 46 Cb -0.26 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 2q8b s GLU 46 CO 0.33 -0.25 1.47 -0.46 0.02 0.00 0.00 175.26 176.38 2q8b s TRP 47 N 1.65 2.38 -0.08 1.61 -0.00 -1.26 -0.10 118.94 123.13 2q8b s TRP 47 Ca 0.03 0.67 -0.04 0.00 -0.00 0.00 0.00 56.10 56.76 2q8b s TRP 47 Cb -0.13 -3.86 -0.02 0.00 -0.00 0.00 0.00 33.47 29.46 2q8b s TRP 47 CO -0.07 -2.52 0.15 0.82 -0.00 0.00 0.00 176.95 175.33 2q8b h ILE 48 N 5.89 0.00 -0.58 5.86 2.04 -1.67 -3.40 117.51 125.65 2q8b h ILE 48 Ca -0.31 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2q8b h ILE 48 Cb 1.13 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2q8b h ILE 48 CO 1.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.76 2q8b n GLY 49 N 1.45 0.54 3.23 5.37 0.00 -1.23 -0.92 105.19 113.62 2q8b n GLY 49 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2q8b n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2q8b s ARG 50 N -0.70 0.91 0.00 1.61 1.70 -0.76 -1.87 118.95 119.84 2q8b s ARG 50 Ca 0.00 -1.05 0.07 0.00 -0.47 0.00 0.00 55.73 54.28 2q8b s ARG 50 Cb 0.00 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2q8b s ARG 50 CO 0.00 -0.30 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.20 2q8b s ILE 51 N -3.90 1.79 -0.55 4.99 2.07 0.15 -1.65 121.20 124.10 2q8b s ILE 51 Ca 0.09 -1.05 -0.20 0.00 -1.41 0.00 0.00 60.65 58.08 2q8b s ILE 51 Cb 0.05 -1.51 0.07 0.00 0.13 0.00 0.00 42.46 41.20 2q8b s ILE 51 CO -0.08 0.43 0.70 -0.62 -1.91 0.00 0.00 174.94 173.47 2q8b s ASP 52 N -0.73 6.21 0.56 4.50 -1.08 0.47 -1.25 116.67 125.36 2q8b s ASP 52 Ca 0.09 -1.06 0.33 0.00 -0.52 0.00 0.00 52.55 51.39 2q8b s ASP 52 Cb -0.09 -2.31 1.66 0.00 -1.46 0.00 0.00 42.92 40.71 2q8b s ASP 52 CO -0.00 -1.04 2.12 -0.65 0.52 0.00 0.00 175.17 176.13 2q8b h PRO 53 N 9.13 0.00 0.71 4.34 0.11 -1.78 0.13 132.00 144.64 2q8b h PRO 53 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 2q8b h PRO 53 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 2q8b h PRO 53 CO 1.04 0.07 -0.34 0.00 -0.21 0.00 0.00 178.00 178.55 2q8b h ALA 54 N 1.93 -0.96 0.00 -0.75 0.00 -1.89 -3.28 119.26 114.31 2q8b h ALA 54 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2q8b h ALA 54 Cb 0.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2q8b h ALA 54 CO 0.01 -1.01 -0.49 0.09 0.00 0.00 0.00 179.25 177.85 2q8b n ASN 55 N -5.48 0.73 -1.29 0.00 3.02 -1.04 -4.90 115.26 106.30 2q8b n ASN 55 Ca -0.14 0.22 -0.16 0.00 -0.03 0.00 0.00 54.58 54.48 2q8b n ASN 55 Cb 0.39 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 2q8b n ASN 55 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2q8b n ASP 56 N -2.15 -4.90 -4.57 6.41 8.00 0.44 -4.96 116.55 114.81 2q8b n ASP 56 Ca 0.04 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.47 2q8b n ASP 56 Cb 0.44 -3.83 -0.03 0.00 -0.02 0.00 0.00 41.12 37.68 2q8b n ASP 56 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2q8b s ASN 57 N -2.77 6.09 0.00 -2.24 2.47 -1.08 -4.82 114.94 112.59 2q8b s ASN 57 Ca 0.00 0.20 0.05 0.00 0.42 0.00 0.00 52.86 53.53 2q8b s ASN 57 Cb 0.00 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2q8b s ASN 57 CO 0.00 -1.75 -0.14 -0.94 -3.72 0.00 0.00 177.10 170.54 2q8b s SER 58 N 4.51 4.04 0.25 -4.21 1.04 -1.26 -0.39 113.70 117.68 2q8b s SER 58 Ca 0.51 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.71 2q8b s SER 58 Cb -0.10 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.17 2q8b s SER 58 CO 0.24 0.29 -0.07 -1.83 0.98 0.00 0.00 173.24 172.85 2q8b s GLU 59 N -1.19 1.46 0.05 4.02 -1.05 -0.66 -5.00 118.70 116.33 2q8b s GLU 59 Ca 0.14 -1.72 -0.03 0.00 -0.15 0.00 0.00 54.97 53.21 2q8b s GLU 59 Cb -0.11 -1.06 -0.02 0.00 -0.44 0.00 0.00 34.13 32.50 2q8b s GLU 59 CO 0.04 0.05 0.04 0.71 0.95 0.00 0.00 175.26 177.05 2q8b s TYR 60 N -3.07 0.35 0.06 4.83 2.02 -1.26 -1.82 117.35 118.46 2q8b s TYR 60 Ca 0.28 -0.80 -0.31 0.00 -0.37 0.00 0.00 57.07 55.87 2q8b s TYR 60 Cb 0.03 -0.25 -0.07 0.00 -0.40 0.00 0.00 41.96 41.27 2q8b s TYR 60 CO 0.10 -0.39 1.36 0.34 -1.57 0.00 0.00 175.55 175.39 2q8b s ASP 61 N -2.60 6.87 0.64 2.29 -1.08 -0.10 -4.91 116.67 117.78 2q8b s ASP 61 Ca 0.02 2.20 0.25 0.00 -0.52 0.00 0.00 52.55 54.50 2q8b s ASP 61 Cb 0.04 -2.58 1.31 0.00 -1.46 0.00 0.00 42.92 40.24 2q8b s ASP 61 CO -0.08 -0.65 1.75 -0.65 0.52 0.00 0.00 175.17 176.06 2q8b h PRO 62 N 7.18 0.00 0.00 4.34 0.11 -1.96 0.23 132.00 141.91 2q8b h PRO 62 Ca -0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2q8b h PRO 62 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2q8b h PRO 62 CO 0.87 0.00 -0.21 -0.22 -0.21 0.00 0.00 178.00 178.23 2q8b h LYS 63 N 0.00 0.00 -0.13 1.05 3.64 -1.95 -3.23 116.57 115.95 2q8b h LYS 63 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2q8b h LYS 63 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2q8b h LYS 63 CO -0.00 0.21 0.00 1.19 -2.27 0.00 0.00 179.45 178.58 2q8b n PHE 64 N -3.73 0.15 -2.13 1.91 3.72 0.81 -4.95 117.46 113.23 2q8b n PHE 64 Ca -0.01 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2q8b n PHE 64 Cb 0.32 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 2q8b n PHE 64 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2q8b s GLN 65 N -1.28 4.25 0.00 -1.08 0.74 -1.22 -0.67 119.66 120.40 2q8b s GLN 65 Ca 0.22 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.70 2q8b s GLN 65 Cb 0.14 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2q8b s GLN 65 CO 0.21 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 2q8b n GLY 66 N 3.78 0.58 0.73 2.59 0.00 -1.26 -4.81 105.19 106.80 2q8b n GLY 66 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2q8b n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2q8b n LYS 67 N -2.68 0.00 -4.51 1.61 3.00 -0.98 -4.84 118.16 109.76 2q8b n LYS 67 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 2q8b n LYS 67 Cb 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 35.03 34.57 2q8b n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2q8b s ALA 68 N -1.41 3.00 -0.14 3.14 0.00 0.15 -0.71 121.76 125.80 2q8b s ALA 68 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2q8b s ALA 68 Cb 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2q8b s ALA 68 CO 0.00 0.39 -0.03 0.99 0.00 0.00 0.00 175.76 177.11 2q8b s THR 69 N -0.20 0.84 -0.23 0.00 2.01 0.35 -4.75 115.64 113.66 2q8b s THR 69 Ca 0.03 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 2q8b s THR 69 Cb -0.13 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2q8b s THR 69 CO 0.02 0.16 0.07 -0.63 -0.69 0.00 0.00 174.62 173.55 2q8b s ILE 70 N 1.76 4.46 0.18 1.82 1.01 -1.26 -0.20 121.20 128.96 2q8b s ILE 70 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.61 2q8b s ILE 70 Cb -0.14 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 2q8b s ILE 70 CO -0.07 0.37 -0.14 0.42 0.00 0.00 0.00 174.94 175.52 2q8b s THR 71 N 1.23 1.60 0.04 2.92 -4.23 -0.77 -4.87 115.64 111.58 2q8b s THR 71 Ca 0.05 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2q8b s THR 71 Cb -0.14 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 2q8b s THR 71 CO 0.03 -0.56 0.03 0.00 -0.54 0.00 0.00 174.62 173.58 2q8b s ALA 72 N -2.80 0.20 -0.15 3.99 0.00 -1.26 -0.27 121.76 121.47 2q8b s ALA 72 Ca 0.19 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2q8b s ALA 72 Cb -0.01 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.42 2q8b s ALA 72 CO 0.05 -0.33 0.05 0.34 0.00 0.00 0.00 175.76 175.87 2q8b s ASP 73 N -2.42 2.33 0.48 0.00 2.15 -0.36 -5.01 116.67 113.85 2q8b s ASP 73 Ca -0.01 -0.54 0.27 0.00 0.43 0.00 0.00 52.55 52.70 2q8b s ASP 73 Cb 0.02 -0.42 1.15 0.00 -0.30 0.00 0.00 42.92 43.37 2q8b s ASP 73 CO -0.07 -0.29 1.92 0.71 -0.17 0.00 0.00 175.17 177.26 2q8b h THR 74 N 6.44 0.43 0.00 1.71 1.35 -1.85 0.12 112.91 121.11 2q8b h THR 74 Ca -0.16 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 2q8b h THR 74 Cb 1.13 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2q8b h THR 74 CO 0.29 0.15 -0.26 0.77 -0.25 0.00 0.00 175.52 176.23 2q8b h SER 75 N 0.00 0.00 -0.01 5.36 4.64 -1.97 -3.23 113.55 118.35 2q8b h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q8b h SER 75 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2q8b h SER 75 CO 0.02 0.26 -0.32 -1.54 -0.87 0.00 0.00 176.83 174.37 2q8b n SER 76 N -3.22 1.33 -4.05 4.97 3.41 -1.10 -5.01 113.62 109.96 2q8b n SER 76 Ca 0.02 -1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 57.15 2q8b n SER 76 Cb 0.58 0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 65.06 2q8b n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2q8b n ASN 77 N -0.33 -3.32 -4.25 4.04 4.13 0.00 -4.76 115.26 110.76 2q8b n ASN 77 Ca 0.05 -0.92 -0.28 0.00 1.68 0.00 0.00 54.58 55.12 2q8b n ASN 77 Cb 0.27 -3.27 -0.15 0.00 -1.54 0.00 0.00 39.78 35.09 2q8b n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2q8b s THR 78 N -3.41 1.75 0.13 3.41 2.01 -1.03 -2.05 115.64 116.46 2q8b s THR 78 Ca 0.57 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.61 2q8b s THR 78 Cb -0.30 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2q8b s THR 78 CO 0.88 0.40 -0.15 0.00 -0.69 0.00 0.00 174.62 175.06 2q8b s ALA 79 N -0.61 2.78 0.03 7.40 0.00 -0.54 -1.23 121.76 129.58 2q8b s ALA 79 Ca 0.09 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.73 2q8b s ALA 79 Cb -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2q8b s ALA 79 CO 0.00 0.58 -0.13 0.71 0.00 0.00 0.00 175.76 176.92 2q8b s TYR 80 N -1.27 1.12 -0.24 0.00 2.02 0.63 -0.12 117.35 119.49 2q8b s TYR 80 Ca 0.20 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 2q8b s TYR 80 Cb -0.10 -0.68 0.05 0.00 -0.40 0.00 0.00 41.96 40.82 2q8b s TYR 80 CO 0.12 0.01 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.81 2q8b s LEU 81 N -0.92 3.10 -0.20 -1.29 2.96 -0.08 -1.85 118.68 120.41 2q8b s LEU 81 Ca 0.02 -1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 52.63 2q8b s LEU 81 Cb -0.07 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2q8b s LEU 81 CO 0.01 -0.14 0.34 -1.58 -1.32 0.00 0.00 176.35 173.66 2q8b s GLN 82 N 1.18 4.17 -0.19 1.98 0.74 0.72 -0.59 119.66 127.66 2q8b s GLN 82 Ca -0.04 0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.45 2q8b s GLN 82 Cb -0.18 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.41 2q8b s GLN 82 CO -0.07 0.03 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.10 2q8b s LEU 83 N 1.11 2.74 0.39 3.68 1.02 0.27 -0.49 118.68 127.40 2q8b s LEU 83 Ca 0.17 -0.41 0.05 0.00 0.02 0.00 0.00 54.13 53.95 2q8b s LEU 83 Cb -0.14 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 2q8b s LEU 83 CO 0.07 0.02 0.55 -0.44 0.02 0.00 0.00 176.35 176.57 2q8b s SER 84 N 1.20 5.85 -1.09 2.29 0.01 0.11 -1.53 113.70 120.55 2q8b s SER 84 Ca 0.02 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 2q8b s SER 84 Cb -0.14 -1.21 0.04 0.00 0.21 0.00 0.00 66.02 64.91 2q8b s SER 84 CO -0.03 -0.59 0.63 -1.20 0.41 0.00 0.00 173.24 172.46 2q8b n SER 85 N -1.82 -3.95 -4.64 2.44 7.64 -1.06 -4.81 113.62 107.41 2q8b n SER 85 Ca 0.02 -1.20 -0.39 0.00 1.01 0.00 0.00 58.87 58.31 2q8b n SER 85 Cb 0.58 -1.49 0.04 0.00 -1.01 0.00 0.00 64.21 62.33 2q8b n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2q8b n LEU 86 N -4.52 3.82 -3.57 -3.43 4.32 0.10 -4.56 117.00 109.15 2q8b n LEU 86 Ca -0.13 0.90 -0.14 0.00 -0.02 0.00 0.00 56.01 56.62 2q8b n LEU 86 Cb 0.55 -1.42 -0.05 0.00 -1.62 0.00 0.00 43.42 40.87 2q8b n LEU 86 CO 0.69 -1.47 0.29 -0.89 -1.22 0.00 0.00 177.39 174.79 2q8b s THR 87 N -1.40 0.03 0.51 -5.08 2.01 -1.26 -0.06 115.64 110.38 2q8b s THR 87 Ca 0.71 -0.22 0.25 0.00 0.31 0.00 0.00 61.69 62.75 2q8b s THR 87 Cb -0.45 -0.97 0.42 0.00 0.01 0.00 0.00 72.50 71.51 2q8b s THR 87 CO 0.50 -0.12 1.93 0.77 -0.69 0.00 0.00 174.62 177.01 2q8b h SER 88 N 2.80 0.09 -0.04 3.53 4.64 -1.96 0.58 113.55 123.19 2q8b h SER 88 Ca -0.31 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2q8b h SER 88 Cb 1.21 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2q8b h SER 88 CO 0.41 0.04 0.05 -0.08 -0.87 0.00 0.00 176.83 176.38 2q8b h GLU 89 N 0.09 0.00 -0.00 4.77 4.57 -1.96 -2.04 114.58 120.01 2q8b h GLU 89 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2q8b h GLU 89 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2q8b h GLU 89 CO -0.04 0.00 -0.25 -0.25 -1.18 0.00 0.00 179.01 177.30 2q8b n ASP 90 N -3.86 0.73 -4.63 1.04 8.00 0.20 -4.81 116.55 113.23 2q8b n ASP 90 Ca -0.02 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.43 2q8b n ASP 90 Cb 0.14 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2q8b n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2q8b s THR 91 N -2.61 3.38 -0.05 -3.53 2.01 -0.77 -4.84 115.64 109.25 2q8b s THR 91 Ca 0.23 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 2q8b s THR 91 Cb 0.19 -3.39 0.12 0.00 0.01 0.00 0.00 72.50 69.43 2q8b s THR 91 CO 0.54 -0.16 1.19 0.00 -0.69 0.00 0.00 174.62 175.50 2q8b s ALA 92 N 5.76 -2.08 0.07 7.40 0.00 -0.89 -4.44 121.76 127.58 2q8b s ALA 92 Ca 0.82 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 2q8b s ALA 92 Cb -0.31 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2q8b s ALA 92 CO 0.33 -0.89 0.63 0.08 0.00 0.00 0.00 175.76 175.92 2q8b s VAL 93 N -2.58 4.70 -0.22 0.00 1.01 -0.25 -0.53 120.40 122.53 2q8b s VAL 93 Ca 0.12 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.46 2q8b s VAL 93 Cb 0.02 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2q8b s VAL 93 CO -0.04 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 2q8b s TYR 94 N -0.80 2.98 -0.04 5.22 2.02 0.44 -1.22 117.35 125.95 2q8b s TYR 94 Ca 0.32 -1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 55.14 2q8b s TYR 94 Cb -0.20 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2q8b s TYR 94 CO 0.20 -0.79 0.33 0.71 -1.57 0.00 0.00 175.55 174.43 2q8b s TYR 95 N 1.26 3.68 0.13 2.71 2.02 0.34 -0.51 117.35 126.98 2q8b s TYR 95 Ca 0.00 0.84 0.05 0.00 -0.37 0.00 0.00 57.07 57.59 2q8b s TYR 95 Cb -0.16 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2q8b s TYR 95 CO -0.08 0.65 0.08 0.00 -1.57 0.00 0.00 175.55 174.62 2q8b s THR 97 N -1.57 1.17 -0.65 0.00 -4.23 0.48 0.09 115.64 110.92 2q8b s THR 97 Ca 0.29 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.90 2q8b s THR 97 Cb -0.11 -0.99 0.11 0.00 1.34 0.00 0.00 72.50 72.85 2q8b s THR 97 CO 0.22 0.27 0.79 -0.22 -0.54 0.00 0.00 174.62 175.13 2q8b s LEU 98 N -0.51 5.32 0.00 4.79 2.96 0.30 -2.62 118.68 128.92 2q8b s LEU 98 Ca 0.05 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 2q8b s LEU 98 Cb -0.06 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2q8b s LEU 98 CO -0.00 -1.12 0.00 -0.24 -1.32 0.00 0.00 176.35 173.67 2q8b n SER 99 N 6.38 0.00 -0.65 3.68 2.88 -0.53 -1.18 113.62 124.21 2q8b n SER 99 Ca -0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.58 2q8b n SER 99 Cb 0.44 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.14 2q8b n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2q8b n HIS 100 N 13.77 0.39 -3.76 0.66 1.44 -1.26 -4.80 115.22 121.66 2q8b n HIS 100 Ca 0.00 -0.20 -0.35 0.00 -2.01 0.00 0.00 57.72 55.16 2q8b n HIS 100 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 2q8b n HIS 100 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2q8b s PHE 101 N -1.61 3.35 -0.06 -1.40 0.40 -0.32 -5.10 117.98 113.24 2q8b s PHE 101 Ca 0.28 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.81 2q8b s PHE 101 Cb 0.15 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 2q8b s PHE 101 CO 0.21 0.19 0.14 -1.58 0.70 0.00 0.00 175.22 174.88 2q8b s TRP 102 N 0.58 3.51 0.97 0.36 0.52 -1.26 -0.54 118.94 123.09 2q8b s TRP 102 Ca 0.07 0.40 -0.16 0.00 0.02 0.00 0.00 56.10 56.43 2q8b s TRP 102 Cb -0.12 -1.86 0.24 0.00 -1.15 0.00 0.00 33.47 30.57 2q8b s TRP 102 CO 0.00 0.66 0.99 0.41 0.02 0.00 0.00 176.95 179.03 2q8b n GLY 103 N 1.49 -2.32 0.05 0.98 0.00 0.11 -4.97 105.19 100.54 2q8b n GLY 103 Ca -0.16 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.44 2q8b n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q8b n GLN 104 N -4.03 0.23 0.00 1.61 1.13 -1.26 -4.81 117.38 110.26 2q8b n GLN 104 Ca 0.13 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2q8b n GLN 104 Cb 0.49 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.35 2q8b n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2q8b n GLY 105 N 1.44 -0.58 3.13 1.08 0.00 -1.26 -5.00 105.19 104.00 2q8b n GLY 105 Ca 0.08 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2q8b n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q8b s THR 106 N -3.07 1.90 -0.13 2.61 2.01 0.33 -4.89 115.64 114.41 2q8b s THR 106 Ca 0.00 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 2q8b s THR 106 Cb 0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 2q8b s THR 106 CO 0.00 0.52 1.06 -0.89 -0.69 0.00 0.00 174.62 174.62 2q8b s THR 107 N 0.97 4.64 -0.19 -0.82 2.01 -1.26 -0.42 115.64 120.56 2q8b s THR 107 Ca -0.04 1.94 -0.04 0.00 0.31 0.00 0.00 61.69 63.85 2q8b s THR 107 Cb -0.15 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2q8b s THR 107 CO -0.04 -0.05 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.59 2q8b s LEU 108 N 2.40 3.07 -0.21 4.42 2.96 0.31 -1.09 118.68 130.54 2q8b s LEU 108 Ca 0.49 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2q8b s LEU 108 Cb -0.19 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2q8b s LEU 108 CO 0.16 0.06 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.30 2q8b s THR 109 N 1.00 3.30 -0.32 3.68 2.01 0.82 -2.08 115.64 124.05 2q8b s THR 109 Ca 0.01 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 2q8b s THR 109 Cb -0.15 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2q8b s THR 109 CO 0.01 0.44 0.09 -0.69 -0.69 0.00 0.00 174.62 173.79 2q8b s VAL 110 N 1.29 3.91 -0.14 3.82 1.01 -1.25 -0.34 120.40 128.69 2q8b s VAL 110 Ca 0.03 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2q8b s VAL 110 Cb -0.14 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.22 2q8b s VAL 110 CO -0.02 -0.04 0.79 -0.55 0.00 0.00 0.00 175.10 175.28 2q8b s SER 111 N 1.46 -0.59 0.00 3.32 0.15 0.13 -4.43 113.70 113.74 2q8b s SER 111 Ca 0.01 0.80 0.29 0.00 0.70 0.00 0.00 55.95 57.75 2q8b s SER 111 Cb -0.18 0.70 1.26 0.00 -1.71 0.00 0.00 66.02 66.09 2q8b s SER 111 CO 0.03 -0.43 1.93 -1.54 1.20 0.00 0.00 173.24 174.42 2q8b n SER 112 N 1.34 0.00 -4.74 5.45 3.41 -1.26 -3.68 113.62 114.13 2q8b n SER 112 Ca -0.15 0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 2q8b n SER 112 Cb 0.57 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2q8b n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q8b s ALA 113 N -2.93 3.45 0.52 7.33 0.00 -1.26 -5.04 121.76 123.84 2q8b s ALA 113 Ca 0.16 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2q8b s ALA 113 Cb 0.19 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 2q8b s ALA 113 CO 0.51 -0.39 0.79 0.15 0.00 0.00 0.00 175.76 176.82 2q8b s LYS 114 N -0.55 3.03 0.02 0.00 1.02 -1.26 -4.98 119.74 117.02 2q8b s LYS 114 Ca 0.52 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 2q8b s LYS 114 Cb -0.34 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 2q8b s LYS 114 CO 0.39 -0.48 1.58 0.99 -0.92 0.00 0.00 175.35 176.91 2q8b s THR 115 N -2.79 3.35 -0.10 2.17 2.01 -1.26 -4.69 115.64 114.33 2q8b s THR 115 Ca 0.51 0.71 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2q8b s THR 115 Cb -0.10 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.97 2q8b s THR 115 CO 0.42 -0.02 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.29 2q8b s THR 116 N 2.89 1.47 0.27 -0.82 2.01 -0.36 -4.94 115.64 116.16 2q8b s THR 116 Ca 0.71 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 2q8b s THR 116 Cb -0.36 -1.34 -0.11 0.00 0.01 0.00 0.00 72.50 70.70 2q8b s THR 116 CO 0.30 0.43 1.51 -2.16 -0.69 0.00 0.00 174.62 174.02 2q8b s PRO 117 N 0.96 4.19 0.36 4.92 0.04 -1.26 -2.59 135.00 141.62 2q8b s PRO 117 Ca -0.07 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 2q8b s PRO 117 Cb -0.15 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 2q8b s PRO 117 CO -0.01 -0.52 1.09 -1.25 0.04 0.00 0.00 177.00 176.35 2q8b s PRO 118 N -0.50 4.28 -0.10 0.56 0.04 -1.26 -4.60 135.00 133.43 2q8b s PRO 118 Ca 0.61 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 2q8b s PRO 118 Cb -0.45 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2q8b s PRO 118 CO 0.46 -0.08 0.04 -1.54 0.04 0.00 0.00 177.00 175.92 2q8b s SER 119 N -1.25 5.54 -0.11 6.66 1.04 -0.77 -5.01 113.70 119.80 2q8b s SER 119 Ca 0.54 0.23 0.02 0.00 0.48 0.00 0.00 55.95 57.22 2q8b s SER 119 Cb -0.27 -1.63 -0.00 0.00 0.10 0.00 0.00 66.02 64.21 2q8b s SER 119 CO 0.34 0.39 -0.20 -0.69 0.98 0.00 0.00 173.24 174.06 2q8b s VAL 120 N -0.91 2.40 -0.13 5.02 1.01 -1.26 -1.87 120.40 124.66 2q8b s VAL 120 Ca 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2q8b s VAL 120 Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2q8b s VAL 120 CO 0.03 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 2q8b s TYR 121 N 0.37 2.66 0.40 5.22 2.02 -0.73 -4.99 117.35 122.30 2q8b s TYR 121 Ca -0.16 -1.13 -0.25 0.00 -0.37 0.00 0.00 57.07 55.17 2q8b s TYR 121 Cb -0.17 -1.79 -0.09 0.00 -0.40 0.00 0.00 41.96 39.51 2q8b s TYR 121 CO 0.07 -0.49 1.11 -1.25 -1.57 0.00 0.00 175.55 173.43 2q8b s PRO 122 N 0.60 4.12 -0.35 -1.71 0.04 -1.26 -0.57 135.00 135.87 2q8b s PRO 122 Ca -0.12 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 2q8b s PRO 122 Cb -0.16 -2.63 0.08 0.00 0.04 0.00 0.00 34.50 31.82 2q8b s PRO 122 CO 0.03 -0.22 0.09 -0.51 0.04 0.00 0.00 177.00 176.43 2q8b s LEU 123 N -2.52 4.51 0.06 -3.56 1.43 0.52 -4.86 118.68 114.26 2q8b s LEU 123 Ca 0.57 -1.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2q8b s LEU 123 Cb -0.27 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2q8b s LEU 123 CO 0.34 -0.38 -0.26 0.00 0.23 0.00 0.00 176.35 176.27 2q8b s ALA 124 N 1.20 2.23 0.69 4.21 0.00 -1.26 -2.43 121.76 126.38 2q8b s ALA 124 Ca 0.01 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2q8b s ALA 124 Cb -0.21 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2q8b s ALA 124 CO -0.02 0.52 1.23 -1.25 0.00 0.00 0.00 175.76 176.24 2q8b s PRO 125 N -1.42 2.37 0.82 0.00 0.04 -1.26 -5.01 135.00 130.55 2q8b s PRO 125 Ca 0.12 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 2q8b s PRO 125 Cb -0.10 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.68 2q8b s PRO 125 CO 0.03 -1.68 1.09 0.20 0.04 0.00 0.00 177.00 176.68 2q8b s GLY 126 N -1.78 1.62 -0.94 0.56 0.00 -1.26 -5.17 107.32 100.36 2q8b s GLY 126 Ca 0.77 -0.15 -0.23 0.00 0.00 0.00 0.00 44.72 45.11 2q8b s GLY 126 CO 0.42 0.29 1.36 0.00 0.00 0.00 0.00 173.10 175.17 2q8b h SER 133 N 9.72 -0.39 -3.29 0.00 4.64 -2.00 -3.57 113.55 118.65 2q8b h SER 133 Ca 0.09 0.16 -0.67 0.00 -0.47 0.00 0.00 61.79 60.89 2q8b h SER 133 Cb 1.02 0.30 -0.14 0.00 -0.31 0.00 0.00 62.40 63.28 2q8b h SER 133 CO 1.35 -0.15 -0.62 -0.44 -0.87 0.00 0.00 176.83 176.11 2q8b s SER 134 N -5.23 5.28 -0.06 4.97 0.01 -1.26 -2.31 113.70 115.10 2q8b s SER 134 Ca -0.14 0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.27 2q8b s SER 134 Cb 0.18 -1.46 -0.00 0.00 0.21 0.00 0.00 66.02 64.95 2q8b s SER 134 CO 0.73 0.33 -0.21 0.54 0.41 0.00 0.00 173.24 175.04 2q8b s VAL 135 N -1.00 1.73 -0.19 3.43 0.11 -0.18 -4.86 120.40 119.43 2q8b s VAL 135 Ca 0.17 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 2q8b s VAL 135 Cb -0.11 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 2q8b s VAL 135 CO 0.07 0.49 0.02 -0.89 -3.33 0.00 0.00 175.10 171.45 2q8b s THR 136 N 0.06 4.26 0.48 5.04 2.01 -1.26 -1.43 115.64 124.81 2q8b s THR 136 Ca -0.07 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2q8b s THR 136 Cb -0.14 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.47 2q8b s THR 136 CO 0.04 0.45 0.08 0.18 -0.69 0.00 0.00 174.62 174.67 2q8b n LEU 137 N 3.89 0.00 -3.69 4.42 4.77 0.27 -4.69 117.00 121.97 2q8b n LEU 137 Ca -0.17 -2.90 0.02 0.00 -0.03 0.00 0.00 56.01 52.94 2q8b n LEU 137 Cb 0.52 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2q8b n LEU 137 CO 0.33 -0.45 1.11 -0.83 -1.33 0.00 0.00 177.39 176.22 2q8b s GLY 138 N -3.68 -0.37 -0.03 -0.72 0.00 -1.02 -1.54 107.32 99.95 2q8b s GLY 138 Ca 0.06 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.40 2q8b s GLY 138 CO 0.04 1.34 -0.03 0.00 0.00 0.00 0.00 173.10 174.44 2q8b s LEU 140 N 0.76 4.88 -0.44 0.00 2.96 0.27 -2.23 118.68 124.89 2q8b s LEU 140 Ca -0.09 -0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 52.95 2q8b s LEU 140 Cb -0.12 -2.19 0.04 0.00 0.50 0.00 0.00 46.19 44.42 2q8b s LEU 140 CO -0.00 -0.40 0.42 -0.69 -1.32 0.00 0.00 176.35 174.36 2q8b s VAL 141 N 1.76 5.13 0.28 1.68 1.01 -0.39 -1.77 120.40 128.10 2q8b s VAL 141 Ca 0.06 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.56 2q8b s VAL 141 Cb -0.18 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2q8b s VAL 141 CO 0.11 -0.49 -0.13 -0.54 0.00 0.00 0.00 175.10 174.05 2q8b s LYS 142 N 1.99 1.90 -1.10 2.72 1.02 -0.78 -1.42 119.74 124.07 2q8b s LYS 142 Ca 0.09 -1.65 -0.01 0.00 0.02 0.00 0.00 55.97 54.42 2q8b s LYS 142 Cb -0.19 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 2q8b s LYS 142 CO 0.11 0.34 0.93 0.41 -0.92 0.00 0.00 175.35 176.22 2q8b n GLY 143 N -0.72 -0.48 3.14 -3.33 0.00 -1.11 -1.84 105.19 100.84 2q8b n GLY 143 Ca -0.05 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2q8b n GLY 143 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2q8b s TYR 144 N -3.35 1.03 -0.19 1.61 -0.85 -1.23 -4.05 117.35 110.32 2q8b s TYR 144 Ca 0.10 -0.49 -0.23 0.00 -0.52 0.00 0.00 57.07 55.93 2q8b s TYR 144 Cb -0.01 -0.58 0.06 0.00 0.38 0.00 0.00 41.96 41.80 2q8b s TYR 144 CO 0.69 0.01 0.62 0.12 -1.52 0.00 0.00 175.55 175.47 2q8b s PHE 145 N -1.42 -0.66 0.91 -3.49 2.19 -1.07 -1.04 117.98 113.40 2q8b s PHE 145 Ca -0.04 1.51 -0.12 0.00 0.33 0.00 0.00 56.93 58.61 2q8b s PHE 145 Cb -0.09 0.26 0.20 0.00 -1.31 0.00 0.00 43.02 42.08 2q8b s PHE 145 CO 0.01 -0.38 1.24 -0.35 1.83 0.00 0.00 175.22 177.57 2q8b n PRO 146 N 2.33 -0.97 -1.70 10.12 -0.04 -1.26 -1.23 135.00 142.25 2q8b n PRO 146 Ca -0.15 -2.23 -0.43 0.00 -0.04 0.00 0.00 63.50 60.65 2q8b n PRO 146 Cb 0.56 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2q8b n PRO 146 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2q8b n GLU 147 N -3.54 2.66 0.00 0.54 4.07 -1.26 -4.81 120.64 118.29 2q8b n GLU 147 Ca 0.17 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.23 2q8b n GLU 147 Cb 0.58 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 2q8b n GLU 147 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2q8b n SER 148 N 4.34 0.00 -4.11 4.31 7.64 -1.26 -5.10 113.62 119.44 2q8b n SER 148 Ca 0.17 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.77 2q8b n SER 148 Cb 0.34 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.37 2q8b n SER 148 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2q8b s VAL 149 N 0.00 1.55 -0.18 0.44 1.01 -1.26 -4.34 120.40 117.63 2q8b s VAL 149 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2q8b s VAL 149 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2q8b s VAL 149 CO 0.00 0.45 0.06 -0.89 0.00 0.00 0.00 175.10 174.72 2q8b s THR 150 N 0.50 4.79 -0.11 3.92 2.01 -0.59 -4.96 115.64 121.20 2q8b s THR 150 Ca -0.16 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 2q8b s THR 150 Cb -0.17 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.22 2q8b s THR 150 CO 0.06 0.47 -0.07 0.54 -0.69 0.00 0.00 174.62 174.93 2q8b s VAL 151 N 0.29 0.95 0.22 3.82 0.11 -1.26 -0.53 120.40 124.00 2q8b s VAL 151 Ca 0.04 -0.25 0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2q8b s VAL 151 Cb -0.12 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2q8b s VAL 151 CO 0.00 0.35 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.05 2q8b s THR 152 N 1.68 2.14 -0.29 5.04 2.01 -1.01 -4.98 115.64 120.23 2q8b s THR 152 Ca 0.04 -2.19 0.03 0.00 0.31 0.00 0.00 61.69 59.88 2q8b s THR 152 Cb -0.13 -2.11 0.07 0.00 0.01 0.00 0.00 72.50 70.35 2q8b s THR 152 CO -0.07 -0.38 -0.05 0.26 -0.69 0.00 0.00 174.62 173.69 2q8b s TRP 153 N -2.37 3.35 -0.45 4.92 0.52 -1.26 -1.80 118.94 121.84 2q8b s TRP 153 Ca 0.23 -2.51 0.09 0.00 0.02 0.00 0.00 56.10 53.93 2q8b s TRP 153 Cb -0.05 -2.25 0.31 0.00 -1.15 0.00 0.00 33.47 30.34 2q8b s TRP 153 CO 0.10 -0.90 0.71 0.09 0.02 0.00 0.00 176.95 176.98 2q8b n ASN 154 N 4.39 1.66 0.00 2.95 4.13 -1.10 -4.97 115.26 122.32 2q8b n ASN 154 Ca -0.07 -3.10 0.00 0.00 1.68 0.00 0.00 54.58 53.09 2q8b n ASN 154 Cb 0.42 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 2q8b n ASN 154 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2q8b n SER 161 N 0.57 0.00 -4.68 6.41 3.41 -1.26 -2.94 113.62 115.13 2q8b n SER 161 Ca 0.26 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.47 2q8b n SER 161 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 2q8b n SER 161 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2q8b s VAL 162 N 0.00 5.03 -0.03 -3.33 1.01 -1.26 -1.82 120.40 120.00 2q8b s VAL 162 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.26 2q8b s VAL 162 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2q8b s VAL 162 CO 0.00 0.15 -0.16 -1.00 0.00 0.00 0.00 175.10 174.09 2q8b s HIS 163 N 1.60 1.57 -0.22 5.22 3.76 -0.50 -4.98 115.29 121.75 2q8b s HIS 163 Ca 0.31 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 2q8b s HIS 163 Cb -0.16 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.49 2q8b s HIS 163 CO 0.12 -0.11 -0.09 0.99 -0.85 0.00 0.00 174.74 174.80 2q8b s THR 164 N -0.10 2.91 -0.21 1.30 2.01 -1.26 -1.19 115.64 119.09 2q8b s THR 164 Ca -0.00 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 2q8b s THR 164 Cb -0.09 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 2q8b s THR 164 CO 0.01 0.40 0.20 -0.36 -0.69 0.00 0.00 174.62 174.17 2q8b s PHE 165 N 1.39 3.37 0.48 4.92 0.08 -0.45 -5.04 117.98 122.74 2q8b s PHE 165 Ca 0.04 0.35 -0.22 0.00 0.12 0.00 0.00 56.93 57.22 2q8b s PHE 165 Cb -0.15 -2.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.94 2q8b s PHE 165 CO -0.06 0.15 0.94 -2.30 -0.10 0.00 0.00 175.22 173.85 2q8b n PRO 166 N 3.98 1.15 -2.33 0.24 -0.02 -1.26 -3.77 135.00 132.99 2q8b n PRO 166 Ca -0.14 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 2q8b n PRO 166 Cb 0.52 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2q8b n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q8b s ALA 167 N -1.38 3.16 -0.04 3.55 0.00 -1.26 -4.77 121.76 121.02 2q8b s ALA 167 Ca 0.67 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.61 2q8b s ALA 167 Cb -0.51 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 2q8b s ALA 167 CO 0.54 -0.47 -0.19 -0.51 0.00 0.00 0.00 175.76 175.13 2q8b s LEU 168 N -2.47 2.44 -0.97 0.00 1.43 -0.60 -4.93 118.68 113.57 2q8b s LEU 168 Ca 0.57 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 2q8b s LEU 168 Cb -0.30 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2q8b s LEU 168 CO 0.37 0.33 1.56 -0.22 0.23 0.00 0.00 176.35 178.63 2q8b s LEU 169 N -0.66 3.40 -1.33 1.79 2.96 -1.26 -1.40 118.68 122.18 2q8b s LEU 169 Ca 0.10 -1.19 -0.17 0.00 -0.22 0.00 0.00 54.13 52.65 2q8b s LEU 169 Cb -0.10 -2.57 0.07 0.00 0.50 0.00 0.00 46.19 44.09 2q8b s LEU 169 CO -0.00 -1.82 1.84 0.00 -1.32 0.00 0.00 176.35 175.05 2q8b n GLN 170 N 8.91 3.13 -1.34 1.98 10.64 0.24 -4.49 117.38 136.46 2q8b n GLN 170 Ca 0.33 -3.15 -0.12 0.00 -1.83 0.00 0.00 57.00 52.23 2q8b n GLN 170 Cb 0.50 -3.42 -0.05 0.00 -0.86 0.00 0.00 30.24 26.41 2q8b n GLN 170 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2q8b n SER 171 N 7.67 -5.70 0.00 2.61 7.64 -1.26 -3.62 113.62 120.96 2q8b n SER 171 Ca 0.49 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2q8b n SER 171 Cb 0.44 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2q8b n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q8b n GLY 172 N 0.21 -0.06 3.30 0.23 0.00 -1.26 -5.15 105.19 102.46 2q8b n GLY 172 Ca -0.12 0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2q8b n GLY 172 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2q8b n LEU 173 N 0.00 0.00 -4.86 0.99 7.94 -1.24 -5.02 117.00 114.81 2q8b n LEU 173 Ca 0.00 -2.18 -0.35 0.00 -1.11 0.00 0.00 56.01 52.37 2q8b n LEU 173 Cb 0.00 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 2q8b n LEU 173 CO 0.00 -0.65 -0.18 -0.31 -1.11 0.00 0.00 177.39 175.13 2q8b s TYR 174 N -2.10 3.51 -0.17 1.96 2.02 -0.21 -0.59 117.35 121.77 2q8b s TYR 174 Ca 0.47 0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 57.57 2q8b s TYR 174 Cb -0.04 -1.86 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2q8b s TYR 174 CO 0.30 0.66 -0.07 0.99 -1.57 0.00 0.00 175.55 175.87 2q8b s THR 175 N -1.15 1.24 0.40 -0.71 2.01 -0.49 -2.75 115.64 114.18 2q8b s THR 175 Ca 0.21 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2q8b s THR 175 Cb -0.12 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2q8b s THR 175 CO 0.11 0.15 0.08 0.00 -0.69 0.00 0.00 174.62 174.27 2q8b s MET 176 N 1.58 1.90 0.09 4.92 0.23 -0.51 -1.56 119.30 125.96 2q8b s MET 176 Ca 0.00 -2.14 -0.17 0.00 -1.03 0.00 0.00 55.69 52.35 2q8b s MET 176 Cb -0.15 -0.87 0.04 0.00 -1.53 0.00 0.00 34.83 32.31 2q8b s MET 176 CO -0.08 -0.37 0.41 -1.54 -2.03 0.00 0.00 175.02 171.42 2q8b s SER 177 N -3.62 -0.26 0.01 -1.18 1.04 -1.25 -1.26 113.70 107.18 2q8b s SER 177 Ca 0.25 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.51 2q8b s SER 177 Cb 0.04 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2q8b s SER 177 CO 0.13 -0.78 -0.07 -0.55 0.98 0.00 0.00 173.24 172.95 2q8b s SER 178 N -2.49 0.80 0.27 7.02 0.15 -0.95 -1.34 113.70 117.16 2q8b s SER 178 Ca -0.00 -0.28 0.12 0.00 0.70 0.00 0.00 55.95 56.48 2q8b s SER 178 Cb 0.01 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2q8b s SER 178 CO -0.08 -0.03 -0.20 -0.94 1.20 0.00 0.00 173.24 173.20 2q8b s SER 179 N -0.69 3.49 -0.05 5.45 1.04 -0.33 -1.50 113.70 121.11 2q8b s SER 179 Ca -0.02 -1.02 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 2q8b s SER 179 Cb -0.05 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.80 2q8b s SER 179 CO 0.00 0.02 0.12 0.54 0.98 0.00 0.00 173.24 174.90 2q8b s VAL 180 N -2.53 -0.01 -0.29 5.02 0.11 -0.59 -1.41 120.40 120.69 2q8b s VAL 180 Ca 0.29 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 2q8b s VAL 180 Cb -0.05 -0.18 0.06 0.00 -1.53 0.00 0.00 36.38 34.68 2q8b s VAL 180 CO 0.14 0.02 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.00 2q8b s THR 181 N 0.35 2.62 0.21 5.04 2.01 -0.76 -0.57 115.64 124.55 2q8b s THR 181 Ca -0.02 -1.56 0.11 0.00 0.31 0.00 0.00 61.69 60.53 2q8b s THR 181 Cb -0.04 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2q8b s THR 181 CO -0.01 -0.11 -0.22 0.68 -0.69 0.00 0.00 174.62 174.27 2q8b s VAL 182 N 1.17 2.30 0.31 3.82 -7.23 -0.51 -4.73 120.40 115.53 2q8b s VAL 182 Ca -0.06 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 57.69 2q8b s VAL 182 Cb -0.20 -2.13 -0.12 0.00 0.56 0.00 0.00 36.38 34.49 2q8b s VAL 182 CO -0.03 -0.24 1.45 -2.65 -0.31 0.00 0.00 175.10 173.32 2q8b n PRO 183 N -0.01 2.41 0.00 4.82 -0.02 -1.26 -1.01 135.00 139.93 2q8b n PRO 183 Ca -0.10 0.85 0.08 0.00 -2.02 0.00 0.00 63.50 62.31 2q8b n PRO 183 Cb 0.57 -2.54 0.41 0.00 -0.02 0.00 0.00 33.50 31.93 2q8b n PRO 183 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2q8b n SER 184 N 1.41 0.00 0.14 2.55 3.41 -0.98 -1.03 113.62 119.11 2q8b n SER 184 Ca 0.06 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2q8b n SER 184 Cb 0.36 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 2q8b n SER 184 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2q8b h SER 185 N 0.00 0.00 -0.01 4.04 4.64 -1.90 -3.34 113.55 116.99 2q8b h SER 185 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2q8b h SER 185 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2q8b h SER 185 CO 0.00 0.01 -0.05 0.35 -0.87 0.00 0.00 176.83 176.26 2q8b n THR 186 N -2.77 0.00 -3.70 2.95 -2.24 -0.20 -4.49 114.28 103.83 2q8b n THR 186 Ca 0.01 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2q8b n THR 186 Cb 0.54 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 2q8b n THR 186 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2q8b s TRP 187 N -2.07 -0.56 -0.65 4.78 -0.00 -1.19 -3.00 118.94 116.25 2q8b s TRP 187 Ca 0.31 1.22 -0.03 0.00 -0.00 0.00 0.00 56.10 57.60 2q8b s TRP 187 Cb 0.20 0.24 0.23 0.00 -0.00 0.00 0.00 33.47 34.14 2q8b s TRP 187 CO 0.35 -0.32 2.35 -0.35 -0.00 0.00 0.00 176.95 178.97 2q8b n PRO 188 N 4.18 2.56 -0.04 5.86 -0.04 -1.26 -4.73 135.00 141.53 2q8b n PRO 188 Ca -0.23 -2.92 -0.14 0.00 -0.04 0.00 0.00 63.50 60.17 2q8b n PRO 188 Cb 0.55 -2.19 -0.09 0.00 -0.04 0.00 0.00 33.50 31.74 2q8b n PRO 188 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2q8b h SER 189 N 2.87 0.35 -3.57 3.54 4.64 -1.79 -3.39 113.55 116.21 2q8b h SER 189 Ca 0.48 -0.58 -0.64 0.00 -0.47 0.00 0.00 61.79 60.59 2q8b h SER 189 Cb 0.41 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.00 2q8b h SER 189 CO 1.18 0.87 -0.74 0.00 -0.87 0.00 0.00 176.83 177.27 2q8b s GLN 190 N -3.91 1.35 0.40 4.77 0.00 -1.16 -5.10 119.66 116.00 2q8b s GLN 190 Ca -0.14 -1.57 -0.27 0.00 -0.00 0.00 0.00 55.36 53.37 2q8b s GLN 190 Cb 0.04 -2.84 -0.10 0.00 0.00 0.00 0.00 33.01 30.10 2q8b s GLN 190 CO 0.76 -0.90 1.47 -2.37 0.00 0.00 0.00 175.29 174.25 2q8b n THR 191 N 4.44 2.20 -4.41 3.63 5.66 -1.26 -4.56 114.28 119.98 2q8b n THR 191 Ca 0.00 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.18 2q8b n THR 191 Cb 0.42 -1.94 -0.10 0.00 -1.55 0.00 0.00 70.33 67.16 2q8b n THR 191 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2q8b s VAL 192 N -1.14 3.59 0.11 1.08 0.11 -1.26 -5.09 120.40 117.80 2q8b s VAL 192 Ca 0.55 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.82 2q8b s VAL 192 Cb -0.47 -2.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2q8b s VAL 192 CO 0.62 0.33 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.60 2q8b s THR 193 N -1.05 1.95 -0.15 5.04 2.01 -1.15 -3.51 115.64 118.78 2q8b s THR 193 Ca 0.18 -1.59 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 2q8b s THR 193 Cb -0.11 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 2q8b s THR 193 CO 0.09 0.04 -0.08 0.00 -0.69 0.00 0.00 174.62 173.99 2q8b s SER 195 N 0.39 4.51 -0.25 0.00 1.04 -0.75 -1.59 113.70 117.05 2q8b s SER 195 Ca -0.07 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 2q8b s SER 195 Cb -0.15 -1.75 0.02 0.00 0.10 0.00 0.00 66.02 64.24 2q8b s SER 195 CO 0.04 0.08 -0.03 -0.69 0.98 0.00 0.00 173.24 173.62 2q8b s VAL 196 N 0.89 3.18 -0.16 5.02 1.01 0.00 -2.40 120.40 127.93 2q8b s VAL 196 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2q8b s VAL 196 Cb -0.15 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2q8b s VAL 196 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.34 2q8b s ALA 197 N 1.39 3.18 -0.32 5.51 0.00 0.31 -2.02 121.76 129.81 2q8b s ALA 197 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2q8b s ALA 197 Cb -0.16 -1.70 0.10 0.00 0.00 0.00 0.00 23.12 21.36 2q8b s ALA 197 CO -0.03 0.23 0.09 -1.58 0.00 0.00 0.00 175.76 174.47 2q8b s HIS 198 N 0.29 2.07 0.31 0.00 2.46 -0.73 -1.54 115.29 118.15 2q8b s HIS 198 Ca -0.00 -1.97 0.19 0.00 0.47 0.00 0.00 55.06 53.75 2q8b s HIS 198 Cb -0.13 -1.93 0.94 0.00 -0.13 0.00 0.00 32.58 31.32 2q8b s HIS 198 CO 0.02 -0.89 1.87 -1.00 -2.47 0.00 0.00 174.74 172.27 2q8b h PRO 199 N 7.99 0.00 -0.08 2.88 0.13 -1.85 -0.37 132.00 140.70 2q8b h PRO 199 Ca -0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 2q8b h PRO 199 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2q8b h PRO 199 CO 0.48 0.29 -0.25 0.00 -0.23 0.00 0.00 178.00 178.29 2q8b h ALA 200 N 1.71 0.14 0.00 -0.56 0.00 -1.93 -2.96 119.26 115.66 2q8b h ALA 200 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2q8b h ALA 200 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2q8b h ALA 200 CO 0.04 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 2q8b n SER 201 N -4.49 0.37 -3.43 0.00 3.41 -1.18 -4.95 113.62 103.36 2q8b n SER 201 Ca -0.08 0.54 -0.21 0.00 -0.26 0.00 0.00 58.87 58.86 2q8b n SER 201 Cb 0.45 -0.64 0.08 0.00 -0.26 0.00 0.00 64.21 63.85 2q8b n SER 201 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2q8b n SER 202 N -1.85 -5.18 -4.30 4.04 2.88 -0.20 -4.98 113.62 104.03 2q8b n SER 202 Ca 0.06 -0.53 -0.31 0.00 -1.33 0.00 0.00 58.87 56.75 2q8b n SER 202 Cb 0.37 -4.86 -0.16 0.00 -0.75 0.00 0.00 64.21 58.81 2q8b n SER 202 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2q8b s THR 203 N -3.32 2.10 -0.09 2.46 -4.23 -0.91 -5.01 115.64 106.64 2q8b s THR 203 Ca 0.42 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2q8b s THR 203 Cb -0.19 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2q8b s THR 203 CO 0.70 0.58 -0.21 0.28 -0.54 0.00 0.00 174.62 175.43 2q8b s THR 204 N -0.42 1.82 -0.07 3.99 -1.32 -1.26 -1.78 115.64 116.59 2q8b s THR 204 Ca 0.04 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.65 2q8b s THR 204 Cb -0.12 -1.59 0.02 0.00 -1.51 0.00 0.00 72.50 69.31 2q8b s THR 204 CO 0.01 0.51 -0.06 0.54 -2.21 0.00 0.00 174.62 173.40 2q8b s VAL 205 N 0.44 0.78 -0.24 5.08 0.11 -0.86 -4.98 120.40 120.74 2q8b s VAL 205 Ca -0.17 -0.21 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 2q8b s VAL 205 Cb -0.17 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2q8b s VAL 205 CO 0.07 0.30 0.01 -1.81 -3.33 0.00 0.00 175.10 170.34 2q8b s ASP 206 N 1.21 4.71 -0.22 3.54 -0.00 -1.26 -0.82 116.67 123.83 2q8b s ASP 206 Ca -0.06 -0.32 -0.00 0.00 -0.00 0.00 0.00 52.55 52.17 2q8b s ASP 206 Cb -0.14 -1.83 0.02 0.00 -0.00 0.00 0.00 42.92 40.98 2q8b s ASP 206 CO -0.02 -0.03 -0.12 -0.75 -0.00 0.00 0.00 175.17 174.24 2q8b s LYS 207 N 1.54 2.90 -0.21 8.23 2.47 -0.62 -5.00 119.74 129.05 2q8b s LYS 207 Ca 0.06 -0.92 -0.24 0.00 -1.56 0.00 0.00 55.97 53.32 2q8b s LYS 207 Cb -0.15 -2.80 -0.01 0.00 -1.46 0.00 0.00 37.83 33.41 2q8b s LYS 207 CO 0.00 -0.31 0.78 -1.59 0.16 0.00 0.00 175.35 174.39 2q8b s LYS 208 N 1.30 4.22 0.14 4.03 -2.85 -1.26 -2.52 119.74 122.81 2q8b s LYS 208 Ca 0.02 0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 55.58 2q8b s LYS 208 Cb -0.15 -3.61 -0.07 0.00 -2.06 0.00 0.00 37.83 31.94 2q8b s LYS 208 CO -0.08 -0.40 1.04 -0.51 0.10 0.00 0.00 175.35 175.51 2q8b s LEU 209 N 2.41 4.49 0.00 2.77 2.01 -1.23 -5.02 118.68 124.12 2q8b s LEU 209 Ca 0.34 1.96 0.00 0.00 0.01 0.00 0.00 54.13 56.44 2q8b s LEU 209 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.45 2q8b s LEU 209 CO 0.10 -0.16 0.20 -1.84 1.01 0.00 0.00 176.35 175.66