#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8m s GLU 17 N 0.00 4.01 -0.21 2.12 2.12 -1.26 -5.08 118.70 120.40 1q8m s GLU 17 Ca 0.00 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1q8m s GLU 17 Cb 0.00 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1q8m s GLU 17 CO 0.00 0.42 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.50 1q8m s LEU 18 N -0.05 2.65 0.50 2.70 1.43 -1.26 -5.12 118.68 119.54 1q8m s LEU 18 Ca 0.13 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1q8m s LEU 18 Cb -0.12 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1q8m s LEU 18 CO 0.02 -0.06 0.81 -0.13 0.23 0.00 0.00 176.35 177.22 1q8m s ARG 19 N 1.29 3.54 -1.02 1.70 0.52 -1.26 -5.02 118.95 118.70 1q8m s ARG 19 Ca 0.02 0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 55.40 1q8m s ARG 19 Cb -0.15 -2.35 0.26 0.00 0.52 0.00 0.00 34.95 33.23 1q8m s ARG 19 CO -0.09 -0.25 0.98 0.00 0.02 0.00 0.00 175.30 175.96 1q8m s ALA 20 N -2.79 4.53 -0.42 2.13 0.00 -1.26 -4.85 121.76 119.10 1q8m s ALA 20 Ca 0.48 -3.79 0.05 0.00 0.00 0.00 0.00 51.96 48.70 1q8m s ALA 20 Cb -0.10 -3.34 0.54 0.00 0.00 0.00 0.00 23.12 20.22 1q8m s ALA 20 CO 0.46 -2.19 1.70 0.00 0.00 0.00 0.00 175.76 175.72 1q8m n ALA 21 N 2.71 5.25 -3.46 0.00 0.00 -1.26 -4.99 120.51 118.77 1q8m n ALA 21 Ca 0.22 -3.22 -0.16 0.00 0.00 0.00 0.00 53.44 50.28 1q8m n ALA 21 Cb 0.39 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 1q8m n ALA 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q8m s THR 22 N -3.77 0.01 -0.01 0.00 2.01 -1.26 -5.16 115.64 107.47 1q8m s THR 22 Ca 0.54 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1q8m s THR 22 Cb 0.45 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1q8m s THR 22 CO 0.03 -0.06 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.36 1q8m s LYS 23 N -0.87 0.09 -0.23 4.92 1.02 -1.26 -5.13 119.74 118.29 1q8m s LYS 23 Ca -0.09 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1q8m s LYS 23 Cb -0.02 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 1q8m s LYS 23 CO 0.07 -0.01 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.85 1q8m s LEU 24 N 0.19 2.86 0.76 3.17 1.43 -1.26 -5.08 118.68 120.76 1q8m s LEU 24 Ca -0.02 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1q8m s LEU 24 Cb -0.03 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.70 1q8m s LEU 24 CO -0.01 -0.09 1.10 0.42 0.23 0.00 0.00 176.35 178.00 1q8m s THR 25 N 1.27 2.15 -0.48 5.49 -4.23 -1.26 -4.85 115.64 113.73 1q8m s THR 25 Ca -0.00 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 1q8m s THR 25 Cb -0.16 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.84 1q8m s THR 25 CO -0.08 0.00 0.26 -0.70 -0.54 0.00 0.00 174.62 173.56 1q8m s GLU 26 N -5.41 1.58 -0.59 3.99 -6.30 -1.26 -1.54 118.70 109.17 1q8m s GLU 26 Ca 0.62 -2.29 -0.26 0.00 -2.50 0.00 0.00 54.97 50.54 1q8m s GLU 26 Cb -0.10 -2.72 -0.06 0.00 0.00 0.00 0.00 34.13 31.26 1q8m s GLU 26 CO 0.47 -1.15 2.18 -1.21 0.02 0.00 0.00 175.26 175.57 1q8m s GLU 27 N 0.03 2.27 -0.15 4.30 8.01 -0.70 -4.42 118.70 128.04 1q8m s GLU 27 Ca 0.18 0.93 -0.36 0.00 0.01 0.00 0.00 54.97 55.73 1q8m s GLU 27 Cb -0.23 -4.56 -0.13 0.00 -4.31 0.00 0.00 34.13 24.89 1q8m s GLU 27 CO -0.01 -3.20 1.83 1.17 0.01 0.00 0.00 175.26 175.06 1q8m n LYS 28 N 9.05 1.81 -4.05 1.61 4.81 -1.26 -2.29 118.16 127.85 1q8m n LYS 28 Ca 0.32 0.66 -0.31 0.00 -0.87 0.00 0.00 58.31 58.11 1q8m n LYS 28 Cb 0.52 -2.45 -0.16 0.00 0.02 0.00 0.00 35.03 32.97 1q8m n LYS 28 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1q8m s TYR 29 N 3.83 2.67 -0.07 5.64 5.04 0.93 -4.90 117.35 130.49 1q8m s TYR 29 Ca 0.95 -1.72 0.01 0.00 -2.44 0.00 0.00 57.07 53.87 1q8m s TYR 29 Cb -0.83 -1.77 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 1q8m s TYR 29 CO 0.56 -0.78 -0.10 -2.00 -1.34 0.00 0.00 175.55 171.89 1q8m s GLU 30 N 1.32 2.79 0.22 4.97 2.12 -1.26 -0.11 118.70 128.75 1q8m s GLU 30 Ca -0.01 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.58 1q8m s GLU 30 Cb -0.16 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.70 1q8m s GLU 30 CO -0.09 0.57 0.43 -0.51 -0.54 0.00 0.00 175.26 175.12 1q8m s LEU 31 N -0.56 0.45 0.18 2.70 1.43 -0.66 -4.98 118.68 117.24 1q8m s LEU 31 Ca 0.08 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1q8m s LEU 31 Cb -0.12 1.66 -0.04 0.00 0.03 0.00 0.00 46.19 47.73 1q8m s LEU 31 CO 0.02 -1.06 0.13 -0.54 0.23 0.00 0.00 176.35 175.13 1q8m s LYS 32 N -3.98 2.86 0.27 1.70 1.02 -1.26 -0.53 119.74 119.81 1q8m s LYS 32 Ca 0.19 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 1q8m s LYS 32 Cb 0.00 -2.61 -0.14 0.00 -0.52 0.00 0.00 37.83 34.57 1q8m s LYS 32 CO 0.05 0.47 1.17 -1.91 -0.92 0.00 0.00 175.35 174.21 1q8m n GLU 33 N -0.46 1.60 0.00 1.68 2.13 0.47 -2.08 120.64 123.98 1q8m n GLU 33 Ca -0.08 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1q8m n GLU 33 Cb 0.55 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1q8m n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q8m n GLY 34 N 1.47 2.87 3.79 8.31 0.00 -0.39 -4.86 105.19 116.37 1q8m n GLY 34 Ca 0.10 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1q8m n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q8m s GLN 35 N 0.00 2.54 -0.10 1.61 0.74 -0.89 -3.90 119.66 119.67 1q8m s GLN 35 Ca 0.00 1.04 -0.01 0.00 0.05 0.00 0.00 55.36 56.44 1q8m s GLN 35 Cb 0.00 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.14 1q8m s GLN 35 CO 0.00 -1.40 -0.05 0.99 -0.55 0.00 0.00 175.29 174.28 1q8m s THR 36 N -2.98 3.88 -0.07 -0.34 2.01 -1.26 -1.41 115.64 115.47 1q8m s THR 36 Ca 0.60 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 1q8m s THR 36 Cb -0.16 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1q8m s THR 36 CO 0.56 0.57 0.76 -0.22 -0.69 0.00 0.00 174.62 175.59 1q8m s LEU 37 N -0.49 4.30 -0.17 4.42 1.98 0.69 -4.92 118.68 124.49 1q8m s LEU 37 Ca 0.08 1.25 -0.01 0.00 -2.89 0.00 0.00 54.13 52.56 1q8m s LEU 37 Cb -0.12 -3.17 0.05 0.00 0.66 0.00 0.00 46.19 43.61 1q8m s LEU 37 CO 0.02 -0.17 -0.04 -0.62 -1.89 0.00 0.00 176.35 173.65 1q8m s ASP 38 N 0.88 2.90 -0.03 3.68 2.15 -1.26 -1.68 116.67 123.31 1q8m s ASP 38 Ca 0.40 -0.72 0.05 0.00 0.43 0.00 0.00 52.55 52.71 1q8m s ASP 38 Cb -0.18 -0.87 -0.01 0.00 -0.30 0.00 0.00 42.92 41.56 1q8m s ASP 38 CO 0.19 -0.21 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.10 1q8m s VAL 39 N 1.66 1.51 -0.24 1.11 1.01 -0.38 -5.01 120.40 120.06 1q8m s VAL 39 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1q8m s VAL 39 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1q8m s VAL 39 CO -0.07 0.43 -0.04 -0.54 0.00 0.00 0.00 175.10 174.88 1q8m s LYS 40 N -0.16 3.09 -0.80 2.72 1.02 -1.26 -0.61 119.74 123.75 1q8m s LYS 40 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 1q8m s LYS 40 Cb -0.10 -3.03 0.21 0.00 -0.52 0.00 0.00 37.83 34.38 1q8m s LYS 40 CO 0.01 -0.32 0.71 0.00 -0.92 0.00 0.00 175.35 174.83 1q8m s ASP 42 N 1.53 5.24 0.00 0.00 3.68 -1.26 -0.61 116.67 125.25 1q8m s ASP 42 Ca 0.19 0.28 0.25 0.00 2.13 0.00 0.00 52.55 55.41 1q8m s ASP 42 Cb -0.13 -2.53 0.54 0.00 -1.45 0.00 0.00 42.92 39.35 1q8m s ASP 42 CO -0.07 -2.42 1.43 0.00 0.13 0.00 0.00 175.17 174.24 1q8m n TYR 43 N 12.91 0.00 0.00 -5.34 4.11 -1.04 -4.91 117.16 122.89 1q8m n TYR 43 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.12 1q8m n TYR 43 Cb 0.52 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 1q8m n TYR 43 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1q8m n THR 44 N -0.29 0.00 -1.46 -3.48 5.66 -0.11 -4.68 114.28 109.92 1q8m n THR 44 Ca 0.12 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.62 1q8m n THR 44 Cb 0.40 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.11 1q8m n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1q8m n LEU 45 N 0.00 2.17 0.08 1.09 4.77 -1.26 -4.71 117.00 119.13 1q8m n LEU 45 Ca 0.00 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1q8m n LEU 45 Cb 0.00 -1.28 0.29 0.00 -2.33 0.00 0.00 43.42 40.09 1q8m n LEU 45 CO 0.00 -0.75 0.66 -1.84 -1.33 0.00 0.00 177.39 174.13 1q8m n GLU 46 N 8.26 0.07 0.00 3.23 0.28 -1.26 -1.07 120.64 130.15 1q8m n GLU 46 Ca 0.41 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.97 1q8m n GLU 46 Cb 0.25 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.38 1q8m n GLU 46 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q8m n LYS 47 N -1.86 0.41 0.00 3.44 5.02 -1.26 -1.56 118.16 122.35 1q8m n LYS 47 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1q8m n LYS 47 Cb 0.03 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1q8m n LYS 47 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1q8m n PHE 48 N -0.39 0.00 -0.28 2.13 3.72 -0.23 -4.91 117.46 117.51 1q8m n PHE 48 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1q8m n PHE 48 Cb 0.01 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1q8m n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q8m h ALA 49 N 0.00 0.12 0.00 4.37 0.00 -1.42 0.21 119.26 122.54 1q8m h ALA 49 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1q8m h ALA 49 Cb 0.00 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1q8m h ALA 49 CO 0.00 -0.62 0.00 -1.13 0.00 0.00 0.00 179.25 177.50 1q8m n SER 50 N -5.46 0.02 -4.77 0.00 3.41 -1.26 -4.44 113.62 101.11 1q8m n SER 50 Ca 0.07 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.80 1q8m n SER 50 Cb 0.38 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1q8m n SER 50 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1q8m s SER 51 N -3.03 6.49 0.12 4.04 0.01 0.75 -1.67 113.70 120.41 1q8m s SER 51 Ca 0.11 2.46 -0.30 0.00 1.31 0.00 0.00 55.95 59.53 1q8m s SER 51 Cb 0.15 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.68 1q8m s SER 51 CO 0.41 -0.71 1.20 -1.58 0.41 0.00 0.00 173.24 172.98 1q8m s GLN 52 N -2.21 4.46 0.22 12.44 0.74 -1.26 -4.39 119.66 129.66 1q8m s GLN 52 Ca 0.56 1.82 0.09 0.00 0.05 0.00 0.00 55.36 57.88 1q8m s GLN 52 Cb -0.34 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1q8m s GLN 52 CO 0.43 -0.17 -0.16 0.15 -0.55 0.00 0.00 175.29 174.99 1q8m s LYS 53 N 0.46 1.41 0.23 1.67 1.02 -1.26 0.59 119.74 123.85 1q8m s LYS 53 Ca 0.56 -1.62 -0.16 0.00 0.02 0.00 0.00 55.97 54.77 1q8m s LYS 53 Cb -0.31 -1.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.73 1q8m s LYS 53 CO 0.32 0.22 0.52 0.00 -0.92 0.00 0.00 175.35 175.50 1q8m s ALA 54 N -2.81 -0.64 -0.15 5.17 0.00 0.04 -0.26 121.76 123.10 1q8m s ALA 54 Ca 0.24 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1q8m s ALA 54 Cb -0.02 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1q8m s ALA 54 CO 0.09 -0.86 -0.20 -0.46 0.00 0.00 0.00 175.76 174.34 1q8m s TRP 55 N -3.95 2.71 0.09 0.00 -0.11 0.87 -0.82 118.94 117.75 1q8m s TRP 55 Ca 0.15 -1.27 0.03 0.00 1.22 0.00 0.00 56.10 56.24 1q8m s TRP 55 Cb -0.01 -1.85 -0.04 0.00 -1.50 0.00 0.00 33.47 30.07 1q8m s TRP 55 CO 0.04 -0.58 -0.09 1.14 -4.62 0.00 0.00 176.95 172.84 1q8m s GLN 56 N 0.85 0.82 -0.17 5.86 -2.07 -0.60 -0.85 119.66 123.49 1q8m s GLN 56 Ca -0.06 -1.19 -0.08 0.00 -1.82 0.00 0.00 55.36 52.22 1q8m s GLN 56 Cb -0.15 -0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 31.32 1q8m s GLN 56 CO -0.02 0.04 0.09 -1.50 -1.32 0.00 0.00 175.29 172.59 1q8m s ILE 57 N -2.76 5.07 -0.27 3.63 2.07 -0.55 -1.58 121.20 126.82 1q8m s ILE 57 Ca 0.06 0.06 -0.20 0.00 -1.41 0.00 0.00 60.65 59.17 1q8m s ILE 57 Cb -0.01 -3.28 -0.02 0.00 0.13 0.00 0.00 42.46 39.29 1q8m s ILE 57 CO -0.01 0.48 0.62 -0.63 -1.91 0.00 0.00 174.94 173.49 1q8m s ILE 58 N 0.11 4.97 0.47 2.00 -1.09 0.27 -0.45 121.20 127.47 1q8m s ILE 58 Ca 0.07 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1q8m s ILE 58 Cb -0.12 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1q8m s ILE 58 CO -0.00 -0.03 0.69 -0.13 -1.23 0.00 0.00 174.94 174.24 1q8m s ARG 59 N 2.54 2.98 0.36 2.79 1.81 0.78 -4.56 118.95 125.64 1q8m s ARG 59 Ca 0.26 -0.54 -0.28 0.00 -1.72 0.00 0.00 55.73 53.45 1q8m s ARG 59 Cb -0.15 -2.55 -0.12 0.00 -0.45 0.00 0.00 34.95 31.69 1q8m s ARG 59 CO 0.10 -0.35 1.38 -3.47 -0.68 0.00 0.00 175.30 172.28 1q8m n ASP 60 N -2.13 3.25 0.00 0.23 2.03 -1.26 -2.11 116.55 116.56 1q8m n ASP 60 Ca 0.03 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1q8m n ASP 60 Cb 0.58 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1q8m n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q8m n GLY 61 N 0.62 0.68 3.10 0.27 0.00 -1.26 -3.95 105.19 104.65 1q8m n GLY 61 Ca 0.03 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1q8m n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q8m n GLU 62 N -2.53 -5.77 -3.60 1.61 -0.58 -1.15 -4.98 120.64 103.63 1q8m n GLU 62 Ca 0.00 0.73 -0.40 0.00 -0.42 0.00 0.00 57.16 57.07 1q8m n GLU 62 Cb 0.00 -5.37 -0.09 0.00 -0.57 0.00 0.00 31.44 25.41 1q8m n GLU 62 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1q8m s MET 63 N -5.89 2.41 0.32 3.49 -1.94 -0.90 -4.95 119.30 111.85 1q8m s MET 63 Ca 0.41 -1.72 -0.19 0.00 -1.71 0.00 0.00 55.69 52.48 1q8m s MET 63 Cb -0.18 -3.84 -0.09 0.00 2.01 0.00 0.00 34.83 32.73 1q8m s MET 63 CO 0.50 -1.13 0.80 -1.25 -0.01 0.00 0.00 175.02 173.94 1q8m s PRO 64 N 1.33 4.18 -0.19 2.03 0.04 -1.26 -0.16 135.00 140.96 1q8m s PRO 64 Ca 0.06 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 1q8m s PRO 64 Cb -0.25 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1q8m s PRO 64 CO -0.01 0.18 -0.13 0.21 0.04 0.00 0.00 177.00 177.30 1q8m s LYS 65 N -2.69 3.19 -0.01 4.56 2.20 0.40 -4.90 119.74 122.49 1q8m s LYS 65 Ca 0.53 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 1q8m s LYS 65 Cb -0.12 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 1q8m s LYS 65 CO 0.18 -0.18 1.41 0.99 -0.36 0.00 0.00 175.35 177.39 1q8m s THR 66 N 1.32 3.71 -0.20 3.43 2.01 -1.26 -1.48 115.64 123.17 1q8m s THR 66 Ca 0.04 1.08 0.10 0.00 0.31 0.00 0.00 61.69 63.22 1q8m s THR 66 Cb -0.14 -3.69 -0.22 0.00 0.01 0.00 0.00 72.50 68.46 1q8m s THR 66 CO -0.07 -0.01 0.04 0.18 -0.69 0.00 0.00 174.62 174.06 1q8m n LEU 67 N 5.51 1.39 -3.64 4.42 4.77 -0.03 -4.96 117.00 124.46 1q8m n LEU 67 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1q8m n LEU 67 Cb 0.44 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1q8m n LEU 67 CO 0.59 0.68 0.55 0.00 -1.33 0.00 0.00 177.39 177.87 1q8m s ALA 68 N -2.52 -1.95 0.15 -1.18 0.00 -1.12 -4.92 121.76 110.24 1q8m s ALA 68 Ca -0.20 2.10 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1q8m s ALA 68 Cb 0.07 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1q8m s ALA 68 CO 0.74 -0.32 -0.02 0.00 0.00 0.00 0.00 175.76 176.16 1q8m s THR 70 N -3.63 2.15 1.16 0.00 -4.23 0.64 -4.97 115.64 106.75 1q8m s THR 70 Ca 0.21 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 60.16 1q8m s THR 70 Cb 0.06 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.39 1q8m s THR 70 CO 0.02 0.00 1.20 -1.61 -0.54 0.00 0.00 174.62 173.68 1q8m s GLU 71 N -5.36 -0.91 -0.23 3.99 2.02 -1.26 -4.71 118.70 112.24 1q8m s GLU 71 Ca 0.67 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 55.32 1q8m s GLU 71 Cb -0.06 -1.65 0.08 0.00 0.10 0.00 0.00 34.13 32.59 1q8m s GLU 71 CO 0.47 -3.46 0.08 0.50 0.02 0.00 0.00 175.26 172.87 1q8m s ARG 72 N -5.66 0.40 1.20 1.61 3.52 -1.26 -3.55 118.95 115.21 1q8m s ARG 72 Ca 0.74 -0.47 -0.18 0.00 -0.13 0.00 0.00 55.73 55.69 1q8m s ARG 72 Cb -0.06 -1.78 0.28 0.00 -1.56 0.00 0.00 34.95 31.83 1q8m s ARG 72 CO 0.55 -0.80 1.06 -1.25 -0.81 0.00 0.00 175.30 174.05 1q8m s PRO 73 N 1.95 -1.21 -0.38 5.12 0.04 -1.26 -5.09 135.00 134.17 1q8m s PRO 73 Ca 0.04 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 1q8m s PRO 73 Cb -0.17 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 32.84 1q8m s PRO 73 CO -0.18 -3.76 0.21 0.45 0.04 0.00 0.00 177.00 173.76 1q8m s SER 74 N -3.48 5.71 -0.14 6.66 0.15 -0.67 -4.95 113.70 116.98 1q8m s SER 74 Ca 0.69 -1.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.15 1q8m s SER 74 Cb -0.14 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.11 1q8m s SER 74 CO 0.58 -0.41 0.24 -1.59 1.20 0.00 0.00 173.24 173.26 1q8m s LYS 75 N 1.53 4.01 0.74 5.44 -2.85 -1.26 -4.36 119.74 122.99 1q8m s LYS 75 Ca 0.02 0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.84 1q8m s LYS 75 Cb -0.20 -3.34 -0.08 0.00 -2.06 0.00 0.00 37.83 32.15 1q8m s LYS 75 CO 0.06 0.43 0.15 -1.71 0.10 0.00 0.00 175.35 174.38 1q8m n ASN 76 N 2.97 -2.63 -4.01 0.03 2.85 -1.26 -3.82 115.26 109.40 1q8m n ASN 76 Ca -0.15 0.52 -0.33 0.00 -0.11 0.00 0.00 54.58 54.50 1q8m n ASN 76 Cb 0.53 -1.06 -0.01 0.00 1.24 0.00 0.00 39.78 40.48 1q8m n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1q8m n SER 77 N 0.90 -2.09 -3.22 1.20 3.41 -1.22 -4.94 113.62 107.66 1q8m n SER 77 Ca 0.07 -1.15 -0.24 0.00 -0.26 0.00 0.00 58.87 57.30 1q8m n SER 77 Cb 0.51 -2.45 -0.07 0.00 -0.26 0.00 0.00 64.21 61.94 1q8m n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q8m n HIS 78 N -4.57 0.17 -1.49 7.33 8.25 -1.25 -5.10 115.22 118.57 1q8m n HIS 78 Ca -0.22 -3.65 -0.42 0.00 -0.26 0.00 0.00 57.72 53.17 1q8m n HIS 78 Cb 0.64 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1q8m n HIS 78 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1q8m n PRO 79 N 1.26 0.73 -4.18 -0.41 -0.02 -1.26 -4.79 135.00 126.33 1q8m n PRO 79 Ca 0.22 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1q8m n PRO 79 Cb 0.52 -1.59 -0.16 0.00 -0.02 0.00 0.00 33.50 32.26 1q8m n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q8m s VAL 80 N -1.36 2.36 -0.17 -1.45 1.01 0.25 -4.95 120.40 116.08 1q8m s VAL 80 Ca 0.63 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1q8m s VAL 80 Cb -0.63 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1q8m s VAL 80 CO 0.58 0.52 -0.03 -1.10 0.00 0.00 0.00 175.10 175.07 1q8m s GLN 81 N 1.23 3.64 -0.21 2.72 -0.21 -1.26 -0.39 119.66 125.18 1q8m s GLN 81 Ca 0.03 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.84 1q8m s GLN 81 Cb -0.14 -2.97 0.07 0.00 1.00 0.00 0.00 33.01 30.97 1q8m s GLN 81 CO -0.09 0.14 0.09 0.08 -2.12 0.00 0.00 175.29 173.39 1q8m s VAL 82 N 0.64 0.09 0.00 1.09 1.01 -0.51 -5.01 120.40 117.71 1q8m s VAL 82 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1q8m s VAL 82 Cb -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1q8m s VAL 82 CO 0.02 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1q8m n GLY 83 N 5.20 3.37 0.47 4.51 0.00 -1.26 -0.47 105.19 117.01 1q8m n GLY 83 Ca -0.07 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1q8m n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q8m n ARG 84 N 14.00 1.59 -3.94 1.61 1.74 -1.26 -4.85 116.66 125.56 1q8m n ARG 84 Ca 0.00 -0.84 -0.36 0.00 -0.77 0.00 0.00 57.85 55.88 1q8m n ARG 84 Cb 0.00 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 1q8m n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q8m s ILE 85 N -1.68 5.29 -0.14 0.55 1.01 0.39 -0.40 121.20 126.22 1q8m s ILE 85 Ca 0.15 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1q8m s ILE 85 Cb 0.08 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.27 1q8m s ILE 85 CO 0.10 0.59 -0.05 -0.63 0.00 0.00 0.00 174.94 174.95 1q8m s ILE 86 N -0.76 0.93 -0.07 2.92 1.01 0.55 -1.42 121.20 124.35 1q8m s ILE 86 Ca 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1q8m s ILE 86 Cb -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1q8m s ILE 86 CO 0.03 0.21 -0.12 -0.22 0.00 0.00 0.00 174.94 174.83 1q8m s LEU 87 N 1.73 2.82 -0.13 2.97 2.96 0.48 -0.80 118.68 128.70 1q8m s LEU 87 Ca 0.03 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1q8m s LEU 87 Cb -0.14 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1q8m s LEU 87 CO -0.08 0.30 0.31 -0.70 -1.32 0.00 0.00 176.35 174.87 1q8m s GLU 88 N -0.47 0.27 -0.59 1.98 2.12 0.00 0.85 118.70 122.85 1q8m s GLU 88 Ca 0.06 0.66 -0.16 0.00 0.36 0.00 0.00 54.97 55.90 1q8m s GLU 88 Cb -0.12 -0.06 0.15 0.00 0.26 0.00 0.00 34.13 34.36 1q8m s GLU 88 CO 0.02 -0.18 0.55 0.34 -0.54 0.00 0.00 175.26 175.45 1q8m s ASP 89 N 1.48 6.29 -0.73 -1.70 -1.08 -1.26 -0.14 116.67 119.53 1q8m s ASP 89 Ca -0.08 -1.96 -0.23 0.00 -0.52 0.00 0.00 52.55 49.75 1q8m s ASP 89 Cb -0.10 -2.21 0.07 0.00 -1.46 0.00 0.00 42.92 39.22 1q8m s ASP 89 CO -0.10 -0.80 1.08 -0.31 0.52 0.00 0.00 175.17 175.56 1q8m s TYR 90 N 1.32 2.62 0.17 -5.34 2.02 -0.65 -3.40 117.35 114.09 1q8m s TYR 90 Ca 0.06 -0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 1q8m s TYR 90 Cb -0.26 -4.40 0.03 0.00 -0.40 0.00 0.00 41.96 36.94 1q8m s TYR 90 CO 0.01 -1.75 1.59 0.45 -1.57 0.00 0.00 175.55 174.28 1q8m h HIS 91 N 9.62 1.16 -0.93 2.71 3.86 -1.95 -0.17 115.15 129.44 1q8m h HIS 91 Ca -0.21 -0.24 0.24 0.00 -1.16 0.00 0.00 60.37 58.99 1q8m h HIS 91 Cb 1.06 -0.29 -0.13 0.00 1.06 0.00 0.00 27.41 29.11 1q8m h HIS 91 CO 1.04 1.07 0.45 0.38 0.86 0.00 0.00 177.93 181.73 1q8m h ASP 92 N 0.92 0.41 -0.19 2.45 2.03 -1.96 0.17 116.42 120.25 1q8m h ASP 92 Ca 0.14 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1q8m h ASP 92 Cb 0.68 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1q8m h ASP 92 CO 0.05 -0.00 0.00 1.41 -1.03 0.00 0.00 179.24 179.67 1q8m n HIS 93 N -5.02 0.23 -3.61 4.15 8.25 -1.17 -5.01 115.22 113.04 1q8m n HIS 93 Ca 0.24 -0.16 -0.27 0.00 -0.26 0.00 0.00 57.72 57.28 1q8m n HIS 93 Cb 0.71 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.87 1q8m n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q8m n GLY 94 N 1.01 -0.93 3.29 -1.41 0.00 0.59 -4.73 105.19 103.01 1q8m n GLY 94 Ca 0.13 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 1q8m n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1q8m s LEU 95 N -6.29 0.61 -0.23 0.99 2.34 -0.87 -0.93 118.68 114.30 1q8m s LEU 95 Ca 0.41 0.02 -0.07 0.00 0.06 0.00 0.00 54.13 54.55 1q8m s LEU 95 Cb -0.12 1.53 -0.03 0.00 -0.56 0.00 0.00 46.19 47.00 1q8m s LEU 95 CO 0.83 -0.57 0.07 -0.22 -1.06 0.00 0.00 176.35 175.39 1q8m s LEU 96 N -1.74 3.54 -0.19 1.48 2.96 0.22 -1.63 118.68 123.32 1q8m s LEU 96 Ca -0.08 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1q8m s LEU 96 Cb -0.02 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1q8m s LEU 96 CO 0.00 0.03 0.04 -0.60 -1.32 0.00 0.00 176.35 174.51 1q8m s ARG 97 N 1.24 3.86 0.05 1.98 3.52 0.80 0.74 118.95 131.13 1q8m s ARG 97 Ca 0.05 -0.40 0.09 0.00 -0.13 0.00 0.00 55.73 55.33 1q8m s ARG 97 Cb -0.14 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1q8m s ARG 97 CO 0.03 0.18 -0.24 0.08 -0.81 0.00 0.00 175.30 174.55 1q8m s VAL 98 N 0.59 2.36 -0.08 7.11 1.01 0.22 -0.82 120.40 130.80 1q8m s VAL 98 Ca 0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 1q8m s VAL 98 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1q8m s VAL 98 CO 0.02 0.34 0.25 -0.13 0.00 0.00 0.00 175.10 175.57 1q8m s ARG 99 N -1.36 0.35 -0.23 2.72 0.52 0.02 -1.25 118.95 119.73 1q8m s ARG 99 Ca 0.13 0.23 -0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1q8m s ARG 99 Cb -0.10 0.17 0.06 0.00 0.52 0.00 0.00 34.95 35.59 1q8m s ARG 99 CO 0.03 -0.06 -0.03 -1.64 0.02 0.00 0.00 175.30 173.63 1q8m s MET 100 N -0.15 1.35 0.29 3.54 -1.94 -0.68 -0.33 119.30 121.38 1q8m s MET 100 Ca -0.03 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 52.98 1q8m s MET 100 Cb -0.03 -2.46 -0.08 0.00 2.01 0.00 0.00 34.83 34.27 1q8m s MET 100 CO 0.01 -0.62 0.66 0.14 -0.01 0.00 0.00 175.02 175.20 1q8m s VAL 101 N 1.52 4.80 -1.16 -6.03 -7.23 0.46 -0.22 120.40 112.54 1q8m s VAL 101 Ca -0.04 0.71 -0.18 0.00 -1.81 0.00 0.00 61.98 60.66 1q8m s VAL 101 Cb -0.18 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1q8m s VAL 101 CO -0.07 -0.16 0.77 -3.20 -0.31 0.00 0.00 175.10 172.13 1q8m n ASN 102 N -0.35 -4.90 -4.71 4.85 5.15 -1.21 -4.82 115.26 109.26 1q8m n ASN 102 Ca 0.02 -0.99 -0.43 0.00 -0.60 0.00 0.00 54.58 52.58 1q8m n ASN 102 Cb 0.53 -3.49 -0.01 0.00 -0.53 0.00 0.00 39.78 36.27 1q8m n ASN 102 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q8m n LEU 103 N -4.15 3.76 -4.79 1.20 4.77 -0.50 -4.58 117.00 112.71 1q8m n LEU 103 Ca -0.11 1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 56.82 1q8m n LEU 103 Cb 0.60 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1q8m n LEU 103 CO 0.67 -0.30 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.12 1q8m s GLN 104 N -1.43 2.83 0.46 3.23 1.11 -1.26 -1.27 119.66 123.33 1q8m s GLN 104 Ca 0.59 -1.03 0.17 0.00 0.01 0.00 0.00 55.36 55.10 1q8m s GLN 104 Cb -0.56 -2.54 1.09 0.00 -1.01 0.00 0.00 33.01 29.99 1q8m s GLN 104 CO 0.58 0.43 2.01 -0.24 0.01 0.00 0.00 175.29 178.08 1q8m h VAL 105 N 1.79 1.03 0.00 1.09 3.04 -1.90 -1.08 116.25 120.22 1q8m h VAL 105 Ca -0.48 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1q8m h VAL 105 Cb 1.22 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1q8m h VAL 105 CO 0.61 0.17 0.00 -0.62 -1.01 0.00 0.00 177.57 176.72 1q8m n GLU 106 N -4.20 0.10 0.08 4.17 4.71 -1.26 -2.16 120.64 122.09 1q8m n GLU 106 Ca -0.02 0.43 0.13 0.00 -0.01 0.00 0.00 57.16 57.68 1q8m n GLU 106 Cb 0.24 -1.73 0.46 0.00 -1.01 0.00 0.00 31.44 29.40 1q8m n GLU 106 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1q8m n ASP 107 N -1.92 0.58 -4.60 1.62 8.00 -0.41 -4.85 116.55 114.96 1q8m n ASP 107 Ca 0.01 0.58 -0.50 0.00 0.71 0.00 0.00 54.79 55.60 1q8m n ASP 107 Cb 0.14 -0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 1q8m n ASP 107 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1q8m n SER 108 N -2.07 1.82 0.00 -2.24 7.64 -0.92 -4.87 113.62 112.98 1q8m n SER 108 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1q8m n SER 108 Cb 0.35 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1q8m n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q8m n GLY 109 N 2.42 -1.95 3.64 0.23 0.00 -0.83 -5.00 105.19 103.69 1q8m n GLY 109 Ca 0.16 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1q8m n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q8m s LEU 110 N 0.00 4.09 0.30 0.99 1.43 -1.26 -0.98 118.68 123.25 1q8m s LEU 110 Ca 0.00 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1q8m s LEU 110 Cb 0.00 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 1q8m s LEU 110 CO 0.00 -0.06 -0.07 -0.31 0.23 0.00 0.00 176.35 176.14 1q8m s TYR 111 N 1.50 2.12 -0.05 0.29 2.02 0.17 0.95 117.35 124.35 1q8m s TYR 111 Ca 0.13 -0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 1q8m s TYR 111 Cb -0.15 -1.22 0.08 0.00 -0.40 0.00 0.00 41.96 40.27 1q8m s TYR 111 CO 0.08 0.39 0.73 1.14 -1.57 0.00 0.00 175.55 176.32 1q8m s GLN 112 N -3.69 1.00 0.35 -0.62 -2.07 -0.61 0.18 119.66 114.20 1q8m s GLN 112 Ca 0.31 0.16 -0.05 0.00 -1.82 0.00 0.00 55.36 53.96 1q8m s GLN 112 Cb 0.03 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.38 1q8m s GLN 112 CO 0.14 -0.33 0.62 0.00 -1.32 0.00 0.00 175.29 174.40 1q8m s VAL 114 N -2.29 -0.00 -0.26 0.00 1.01 0.00 -4.54 120.40 114.33 1q8m s VAL 114 Ca 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1q8m s VAL 114 Cb -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1q8m s VAL 114 CO 0.34 0.00 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 1q8m s ILE 115 N 0.13 3.60 -0.04 2.22 1.01 -1.26 -0.78 121.20 126.07 1q8m s ILE 115 Ca -0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1q8m s ILE 115 Cb -0.02 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 1q8m s ILE 115 CO -0.00 0.22 1.69 -0.31 0.00 0.00 0.00 174.94 176.53 1q8m s TYR 116 N 1.47 1.91 0.07 3.97 4.12 0.20 -4.98 117.35 124.10 1q8m s TYR 116 Ca 0.03 0.12 0.03 0.00 0.02 0.00 0.00 57.07 57.27 1q8m s TYR 116 Cb -0.16 -3.95 -0.03 0.00 -1.52 0.00 0.00 41.96 36.30 1q8m s TYR 116 CO -0.01 -4.03 -0.08 1.14 0.02 0.00 0.00 175.55 172.59 1q8m s GLN 117 N 4.07 0.67 0.61 -0.62 -2.07 -1.26 -4.35 119.66 116.70 1q8m s GLN 117 Ca 0.75 -0.96 -0.19 0.00 -1.82 0.00 0.00 55.36 53.14 1q8m s GLN 117 Cb -0.34 -0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 31.19 1q8m s GLN 117 CO 0.31 0.05 1.30 -1.25 -1.32 0.00 0.00 175.29 174.38 1q8m s PRO 118 N -2.26 2.77 0.43 9.60 0.04 -1.26 -4.97 135.00 139.35 1q8m s PRO 118 Ca -0.02 2.09 0.11 0.00 0.04 0.00 0.00 61.00 63.22 1q8m s PRO 118 Cb -0.06 -1.98 0.93 0.00 0.04 0.00 0.00 34.50 33.44 1q8m s PRO 118 CO -0.01 -1.43 2.01 -1.00 0.04 0.00 0.00 177.00 176.61 1q8m h PRO 119 N 0.86 0.22 -0.07 0.56 0.13 -2.01 -2.97 132.00 128.73 1q8m h PRO 119 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1q8m h PRO 119 Cb 1.32 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1q8m h PRO 119 CO 0.55 0.27 0.00 1.63 -0.23 0.00 0.00 178.00 180.21 1q8m n LYS 120 N -4.38 1.24 -4.65 0.86 5.02 -1.26 -4.83 118.16 110.15 1q8m n LYS 120 Ca -0.01 -0.36 -0.25 0.00 -2.02 0.00 0.00 58.31 55.67 1q8m n LYS 120 Cb 0.18 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1q8m n LYS 120 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1q8m s GLU 121 N -1.91 1.37 0.40 1.97 2.56 -1.12 -5.11 118.70 116.86 1q8m s GLU 121 Ca 0.22 -0.89 -0.26 0.00 0.00 0.00 0.00 54.97 54.04 1q8m s GLU 121 Cb 0.11 -1.45 -0.10 0.00 2.00 0.00 0.00 34.13 34.69 1q8m s GLU 121 CO 0.17 0.37 1.32 -2.30 -0.56 0.00 0.00 175.26 174.26 1q8m n PRO 122 N 1.96 2.09 -3.62 4.30 -0.02 -1.26 -4.86 135.00 133.59 1q8m n PRO 122 Ca -0.17 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1q8m n PRO 122 Cb 0.53 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1q8m n PRO 122 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1q8m s HIS 123 N -1.17 3.43 -0.13 6.00 3.76 -1.26 -5.03 115.29 120.89 1q8m s HIS 123 Ca 0.59 0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 55.74 1q8m s HIS 123 Cb -0.51 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1q8m s HIS 123 CO 0.59 0.25 0.74 -1.64 -0.85 0.00 0.00 174.74 173.84 1q8m s MET 124 N 0.45 4.34 -0.03 1.40 -1.94 -1.26 -5.04 119.30 117.22 1q8m s MET 124 Ca 0.13 0.88 0.08 0.00 -1.71 0.00 0.00 55.69 55.07 1q8m s MET 124 Cb -0.12 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 1q8m s MET 124 CO 0.01 -0.14 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.11 1q8m s LEU 125 N 1.52 2.06 0.31 -0.03 1.43 -1.26 -4.79 118.68 117.92 1q8m s LEU 125 Ca 0.36 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 1q8m s LEU 125 Cb -0.17 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1q8m s LEU 125 CO 0.15 0.30 0.75 -0.36 0.23 0.00 0.00 176.35 177.42 1q8m s PHE 126 N -0.52 3.42 0.75 0.29 0.08 -1.26 -5.06 117.98 115.68 1q8m s PHE 126 Ca 0.07 1.28 -0.11 0.00 0.12 0.00 0.00 56.93 58.29 1q8m s PHE 126 Cb -0.11 -2.57 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1q8m s PHE 126 CO -0.00 0.13 1.10 -0.51 -0.10 0.00 0.00 175.22 175.83 1q8m s ASP 127 N -2.14 4.97 0.65 1.36 1.01 -1.26 -4.89 116.67 116.37 1q8m s ASP 127 Ca 0.53 1.23 -0.06 0.00 0.71 0.00 0.00 52.55 54.95 1q8m s ASP 127 Cb -0.11 -2.00 0.03 0.00 1.01 0.00 0.00 42.92 41.85 1q8m s ASP 127 CO 0.18 -1.66 0.96 -0.13 0.21 0.00 0.00 175.17 174.73 1q8m s ARG 128 N -5.25 2.56 -0.21 8.23 3.00 -0.59 -4.66 118.95 122.03 1q8m s ARG 128 Ca 0.59 -0.12 0.02 0.00 0.00 0.00 0.00 55.73 56.22 1q8m s ARG 128 Cb -0.13 -2.22 0.04 0.00 0.00 0.00 0.00 34.95 32.64 1q8m s ARG 128 CO 0.53 -0.97 -0.16 0.42 0.00 0.00 0.00 175.30 175.12 1q8m s ILE 129 N -3.12 2.06 -0.68 1.52 1.01 0.13 -1.73 121.20 120.39 1q8m s ILE 129 Ca 0.57 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 1q8m s ILE 129 Cb -0.11 -1.99 0.11 0.00 0.01 0.00 0.00 42.46 40.48 1q8m s ILE 129 CO 0.45 0.31 0.82 -0.60 0.00 0.00 0.00 174.94 175.93 1q8m s ARG 130 N 1.23 3.19 -0.28 2.79 3.52 -0.97 -0.66 118.95 127.78 1q8m s ARG 130 Ca -0.00 -1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 53.91 1q8m s ARG 130 Cb -0.16 -4.38 0.01 0.00 -1.56 0.00 0.00 34.95 28.86 1q8m s ARG 130 CO -0.10 -1.60 0.96 -1.17 -0.81 0.00 0.00 175.30 172.58 1q8m s LEU 131 N 2.69 4.04 -0.35 -0.88 2.96 -0.15 -0.05 118.68 126.94 1q8m s LEU 131 Ca 0.17 1.06 -0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1q8m s LEU 131 Cb -0.19 -3.38 0.07 0.00 0.50 0.00 0.00 46.19 43.19 1q8m s LEU 131 CO 0.03 -0.70 0.10 -0.69 -1.32 0.00 0.00 176.35 173.77 1q8m s VAL 132 N 3.23 3.25 -0.24 1.68 1.01 0.85 -1.97 120.40 128.22 1q8m s VAL 132 Ca 0.40 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1q8m s VAL 132 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1q8m s VAL 132 CO 0.11 -0.35 0.18 -0.69 0.00 0.00 0.00 175.10 174.35 1q8m s VAL 133 N 1.24 5.35 0.51 2.92 1.01 -1.26 -1.65 120.40 128.51 1q8m s VAL 133 Ca 0.01 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1q8m s VAL 133 Cb -0.21 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1q8m s VAL 133 CO -0.02 0.34 0.17 0.42 0.00 0.00 0.00 175.10 176.01 1q8m s THR 134 N 1.08 1.47 0.08 3.92 -4.23 0.31 -4.68 115.64 113.59 1q8m s THR 134 Ca 0.08 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1q8m s THR 134 Cb -0.14 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 1q8m s THR 134 CO 0.05 0.00 0.28 -0.76 -0.54 0.00 0.00 174.62 173.64 1q8m s LEU 135 N -4.03 4.33 0.00 4.79 1.43 -1.26 -0.40 118.68 123.54 1q8m s LEU 135 Ca 0.20 0.42 0.18 0.00 -1.03 0.00 0.00 54.13 53.91 1q8m s LEU 135 Cb 0.01 -3.05 1.10 0.00 0.03 0.00 0.00 46.19 44.28 1q8m s LEU 135 CO 0.12 0.14 1.50 -0.62 0.23 0.00 0.00 176.35 177.72