#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 1.96 -0.04 2.12 2.02 -1.26 -5.13 118.70 118.38 1q8m s GLU 17 Ca 0.00 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.61 1q8m s GLU 17 Cb 0.00 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 1q8m s GLU 17 CO 0.00 -0.17 -0.21 -0.51 0.02 0.00 0.00 175.26 174.39 1q8m s LEU 18 N 1.32 2.32 0.08 1.80 1.43 -1.26 -5.13 118.68 119.24 1q8m s LEU 18 Ca -0.01 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1q8m s LEU 18 Cb -0.14 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1q8m s LEU 18 CO -0.06 0.32 -0.22 -0.60 0.23 0.00 0.00 176.35 176.02 1q8m s ARG 19 N -0.60 1.32 -1.37 1.70 3.52 -1.26 -5.05 118.95 117.23 1q8m s ARG 19 Ca 0.09 -1.12 -0.12 0.00 -0.13 0.00 0.00 55.73 54.45 1q8m s ARG 19 Cb -0.11 -1.58 0.10 0.00 -1.56 0.00 0.00 34.95 31.81 1q8m s ARG 19 CO 0.00 0.38 2.04 0.00 -0.81 0.00 0.00 175.30 176.91 1q8m n ALA 20 N 1.36 5.39 0.01 6.12 0.00 -1.26 -4.72 120.51 127.41 1q8m n ALA 20 Ca -0.18 -4.09 -0.18 0.00 0.00 0.00 0.00 53.44 48.99 1q8m n ALA 20 Cb 0.53 -3.27 -0.11 0.00 0.00 0.00 0.00 19.45 16.61 1q8m n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q8m h ALA 21 N 5.93 0.09 -2.55 0.00 0.00 -2.05 -3.46 119.26 117.23 1q8m h ALA 21 Ca 0.48 -0.59 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 1q8m h ALA 21 Cb 0.64 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1q8m h ALA 21 CO 1.74 0.42 0.09 -0.08 0.00 0.00 0.00 179.25 181.42 1q8m s THR 22 N -3.26 4.59 0.05 0.00 -1.32 -1.26 -5.08 115.64 109.35 1q8m s THR 22 Ca -0.13 1.25 0.09 0.00 -1.21 0.00 0.00 61.69 61.69 1q8m s THR 22 Cb 0.04 -3.86 -0.03 0.00 -1.51 0.00 0.00 72.50 67.15 1q8m s THR 22 CO 0.84 0.23 -0.25 -1.59 -2.21 0.00 0.00 174.62 171.65 1q8m s LYS 23 N -1.92 1.66 -0.21 7.08 -2.85 -1.26 -5.12 119.74 117.11 1q8m s LYS 23 Ca 0.42 -1.06 0.01 0.00 -1.00 0.00 0.00 55.97 54.34 1q8m s LYS 23 Cb -0.17 -1.83 0.03 0.00 -2.06 0.00 0.00 37.83 33.81 1q8m s LYS 23 CO 0.21 0.47 -0.16 -0.51 0.10 0.00 0.00 175.35 175.46 1q8m s LEU 24 N -1.24 2.62 0.44 2.77 1.43 -1.26 -5.12 118.68 118.31 1q8m s LEU 24 Ca 0.10 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1q8m s LEU 24 Cb -0.10 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1q8m s LEU 24 CO 0.02 -0.07 0.76 0.42 0.23 0.00 0.00 176.35 177.71 1q8m s THR 25 N 1.24 4.88 -0.60 5.49 -4.23 -1.26 -4.92 115.64 116.24 1q8m s THR 25 Ca 0.00 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1q8m s THR 25 Cb -0.15 -3.81 0.19 0.00 1.34 0.00 0.00 72.50 70.06 1q8m s THR 25 CO -0.10 -0.71 0.50 1.21 -0.54 0.00 0.00 174.62 174.98 1q8m n GLU 26 N -1.86 1.45 -1.61 3.99 0.00 -1.26 -1.51 120.64 119.83 1q8m n GLU 26 Ca 0.01 -4.10 -0.55 0.00 0.00 0.00 0.00 57.16 52.52 1q8m n GLU 26 Cb 0.55 -2.05 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 1q8m n GLU 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1q8m n GLU 27 N 1.97 0.96 -2.56 5.31 1.02 -1.19 -4.06 120.64 122.09 1q8m n GLU 27 Ca 0.24 0.35 -0.40 0.00 -0.02 0.00 0.00 57.16 57.33 1q8m n GLU 27 Cb 0.40 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.80 1q8m n GLU 27 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1q8m s LYS 28 N 1.24 4.70 -0.06 3.49 2.20 -1.26 -0.15 119.74 129.90 1q8m s LYS 28 Ca 0.89 1.70 -0.02 0.00 -0.36 0.00 0.00 55.97 58.18 1q8m s LYS 28 Cb -1.04 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1q8m s LYS 28 CO 0.54 0.29 0.03 -0.47 -0.36 0.00 0.00 175.35 175.38 1q8m s TYR 29 N -1.03 0.39 -0.12 4.03 5.04 -0.28 -4.88 117.35 120.49 1q8m s TYR 29 Ca 0.44 0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.02 1q8m s TYR 29 Cb -0.30 -0.66 -0.04 0.00 0.35 0.00 0.00 41.96 41.31 1q8m s TYR 29 CO 0.37 -0.28 0.06 -1.21 -1.34 0.00 0.00 175.55 173.16 1q8m s GLU 30 N 2.06 3.42 -0.09 4.97 2.02 -1.26 -0.42 118.70 129.41 1q8m s GLU 30 Ca 0.05 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 54.65 1q8m s GLU 30 Cb -0.12 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1q8m s GLU 30 CO -0.04 0.60 0.26 -0.51 0.02 0.00 0.00 175.26 175.58 1q8m s LEU 31 N -0.56 1.02 0.50 1.80 1.43 -0.83 -4.99 118.68 117.05 1q8m s LEU 31 Ca 0.11 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 1q8m s LEU 31 Cb -0.12 0.90 -0.07 0.00 0.03 0.00 0.00 46.19 46.92 1q8m s LEU 31 CO 0.02 -0.11 1.08 -0.54 0.23 0.00 0.00 176.35 177.03 1q8m s LYS 32 N 0.03 3.66 0.49 1.70 -0.14 -1.26 -0.90 119.74 123.32 1q8m s LYS 32 Ca -0.01 1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 55.86 1q8m s LYS 32 Cb -0.02 -2.11 -0.08 0.00 -1.68 0.00 0.00 37.83 33.94 1q8m s LYS 32 CO 0.01 -0.57 1.14 -1.91 -0.76 0.00 0.00 175.35 173.25 1q8m n GLU 33 N -1.00 1.47 0.00 1.68 2.13 -0.08 -1.50 120.64 123.34 1q8m n GLU 33 Ca 0.10 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1q8m n GLU 33 Cb 0.51 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.95 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 1.02 2.38 3.94 8.31 0.00 0.37 -4.84 105.19 116.37 1q8m n GLY 34 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 1.30 -0.13 1.61 0.74 -0.56 -4.23 119.66 118.16 1q8m s GLN 35 Ca 0.00 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.95 1q8m s GLN 35 Cb 0.00 -2.02 -0.00 0.00 1.10 0.00 0.00 33.01 32.08 1q8m s GLN 35 CO 0.00 -1.90 -0.17 0.99 -0.55 0.00 0.00 175.29 173.66 1q8m s THR 36 N -3.58 2.60 -0.19 -0.34 2.01 -1.26 -0.71 115.64 114.17 1q8m s THR 36 Ca 0.68 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 1q8m s THR 36 Cb -0.06 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1q8m s THR 36 CO 0.49 0.53 0.94 -0.22 -0.69 0.00 0.00 174.62 175.67 1q8m s LEU 37 N 0.58 4.15 -0.26 4.42 1.98 0.70 -4.90 118.68 125.34 1q8m s LEU 37 Ca -0.10 1.30 0.02 0.00 -2.89 0.00 0.00 54.13 52.47 1q8m s LEU 37 Cb -0.16 -3.41 0.06 0.00 0.66 0.00 0.00 46.19 43.35 1q8m s LEU 37 CO 0.03 -0.52 -0.08 -0.62 -1.89 0.00 0.00 176.35 173.27 1q8m s ASP 38 N 1.19 4.28 -0.06 3.68 2.15 -1.26 -0.71 116.67 125.93 1q8m s ASP 38 Ca 0.42 -1.38 0.05 0.00 0.43 0.00 0.00 52.55 52.08 1q8m s ASP 38 Cb -0.16 -1.43 -0.01 0.00 -0.30 0.00 0.00 42.92 41.02 1q8m s ASP 38 CO 0.11 -0.22 -0.24 -0.69 -0.17 0.00 0.00 175.17 173.96 1q8m s VAL 39 N 1.19 1.97 -0.22 1.11 1.01 -0.47 -5.03 120.40 119.96 1q8m s VAL 39 Ca -0.07 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1q8m s VAL 39 Cb -0.20 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1q8m s VAL 39 CO -0.06 0.55 -0.13 -0.54 0.00 0.00 0.00 175.10 174.92 1q8m s LYS 40 N -0.04 2.30 -0.47 2.72 1.02 -1.26 -0.98 119.74 123.02 1q8m s LYS 40 Ca -0.06 -1.01 -0.18 0.00 0.02 0.00 0.00 55.97 54.74 1q8m s LYS 40 Cb -0.14 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1q8m s LYS 40 CO 0.04 -0.43 0.53 0.00 -0.92 0.00 0.00 175.35 174.57 1q8m s ASP 42 N 2.38 6.42 -0.02 0.00 3.68 -1.26 -0.20 116.67 127.67 1q8m s ASP 42 Ca 0.13 -0.07 0.22 0.00 2.13 0.00 0.00 52.55 54.95 1q8m s ASP 42 Cb -0.19 -2.48 -0.31 0.00 -1.45 0.00 0.00 42.92 38.49 1q8m s ASP 42 CO 0.12 -1.26 0.58 0.00 0.13 0.00 0.00 175.17 174.74 1q8m n TYR 43 N 7.69 0.01 0.00 -5.34 4.11 -0.90 -4.97 117.16 117.76 1q8m n TYR 43 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 1q8m n TYR 43 Cb 0.48 -0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 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 -2.08 0.00 -1.71 -3.48 5.66 0.22 -4.81 114.28 108.08 1q8m n THR 44 Ca -0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 1q8m n THR 44 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 1q8m n THR 44 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1q8m s LEU 45 N 0.00 4.40 0.59 1.09 1.43 -1.26 -4.81 118.68 120.11 1q8m s LEU 45 Ca 0.00 2.79 0.32 0.00 -1.03 0.00 0.00 54.13 56.21 1q8m s LEU 45 Cb 0.00 -3.57 1.84 0.00 0.03 0.00 0.00 46.19 44.49 1q8m s LEU 45 CO 0.00 -1.01 2.23 -0.08 0.23 0.00 0.00 176.35 177.73 1q8m h GLU 46 N 8.31 0.00 0.00 1.70 4.81 -1.96 -2.38 114.58 125.06 1q8m h GLU 46 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1q8m h GLU 46 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1q8m h GLU 46 CO 0.95 0.03 0.00 0.36 -0.73 0.00 0.00 179.01 179.62 1q8m n LYS 47 N -3.66 0.13 0.04 1.92 2.85 -1.26 -1.96 118.16 116.23 1q8m n LYS 47 Ca -0.03 0.46 0.11 0.00 -1.05 0.00 0.00 58.31 57.80 1q8m n LYS 47 Cb 0.12 -1.80 -0.07 0.00 -0.65 0.00 0.00 35.03 32.62 1q8m n LYS 47 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1q8m n PHE 48 N -2.06 0.43 -0.36 5.58 3.72 -0.89 -4.59 117.46 119.29 1q8m n PHE 48 Ca 0.01 0.13 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 1q8m n PHE 48 Cb 0.15 -0.67 0.02 0.00 -0.94 0.00 0.00 39.48 38.04 1q8m n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q8m n ALA 49 N -2.15 -0.19 0.48 4.37 0.00 -0.83 -1.47 120.51 120.73 1q8m n ALA 49 Ca -0.01 0.91 0.13 0.00 0.00 0.00 0.00 53.44 54.46 1q8m n ALA 49 Cb 0.54 -0.37 0.31 0.00 0.00 0.00 0.00 19.45 19.93 1q8m n ALA 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1q8m h SER 50 N 0.00 0.00 -4.13 0.00 4.64 -1.79 -3.42 113.55 108.84 1q8m h SER 50 Ca 0.30 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.09 1q8m h SER 50 Cb 0.53 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.74 1q8m h SER 50 CO -0.92 0.00 0.44 -0.94 -0.87 0.00 0.00 176.83 174.54 1q8m s SER 51 N -5.13 5.01 0.21 4.97 1.04 -0.54 0.61 113.70 119.86 1q8m s SER 51 Ca 0.09 2.30 -0.30 0.00 0.48 0.00 0.00 55.95 58.52 1q8m s SER 51 Cb 0.10 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 1q8m s SER 51 CO 0.63 -1.71 1.37 -1.58 0.98 0.00 0.00 173.24 172.93 1q8m s GLN 52 N -3.57 4.33 0.14 4.02 0.74 -1.26 -4.33 119.66 119.73 1q8m s GLN 52 Ca 0.75 2.15 0.08 0.00 0.05 0.00 0.00 55.36 58.39 1q8m s GLN 52 Cb -0.28 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1q8m s GLN 52 CO 0.36 -0.34 -0.18 0.15 -0.55 0.00 0.00 175.29 174.74 1q8m s LYS 53 N -0.07 1.17 0.10 1.67 1.02 -1.26 -0.54 119.74 121.83 1q8m s LYS 53 Ca 0.59 -1.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 1q8m s LYS 53 Cb -0.39 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 1q8m s LYS 53 CO 0.39 0.26 0.22 0.00 -0.92 0.00 0.00 175.35 175.30 1q8m s ALA 54 N -1.81 -0.25 -0.21 5.17 0.00 -0.01 -0.16 121.76 124.49 1q8m s ALA 54 Ca 0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1q8m s ALA 54 Cb -0.07 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1q8m s ALA 54 CO 0.05 -0.54 -0.05 -0.46 0.00 0.00 0.00 175.76 174.76 1q8m s TRP 55 N -3.87 2.94 0.18 0.00 -0.00 0.81 -0.35 118.94 118.65 1q8m s TRP 55 Ca 0.07 -0.91 0.08 0.00 -0.00 0.00 0.00 56.10 55.33 1q8m s TRP 55 Cb 0.04 -2.08 -0.04 0.00 -0.00 0.00 0.00 33.47 31.39 1q8m s TRP 55 CO -0.09 -0.51 -0.16 -0.65 -0.00 0.00 0.00 176.95 175.53 1q8m s GLN 56 N 1.35 1.29 -0.10 5.86 -0.21 -0.20 -0.58 119.66 127.07 1q8m s GLN 56 Ca 0.04 -1.49 -0.01 0.00 0.02 0.00 0.00 55.36 53.92 1q8m s GLN 56 Cb -0.14 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 32.63 1q8m s GLN 56 CO -0.03 0.22 -0.07 -1.50 -2.12 0.00 0.00 175.29 171.80 1q8m s ILE 57 N -2.51 3.67 -0.20 1.08 2.07 -0.73 -1.56 121.20 123.01 1q8m s ILE 57 Ca 0.19 -0.47 -0.16 0.00 -1.41 0.00 0.00 60.65 58.80 1q8m s ILE 57 Cb -0.03 -2.54 -0.04 0.00 0.13 0.00 0.00 42.46 39.98 1q8m s ILE 57 CO 0.07 0.56 0.42 -0.63 -1.91 0.00 0.00 174.94 173.44 1q8m s ILE 58 N -0.29 5.18 0.42 2.00 -1.09 0.13 -0.78 121.20 126.77 1q8m s ILE 58 Ca 0.04 0.75 0.08 0.00 -2.23 0.00 0.00 60.65 59.29 1q8m s ILE 58 Cb -0.13 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1q8m s ILE 58 CO 0.02 0.23 0.54 -0.13 -1.23 0.00 0.00 174.94 174.37 1q8m s ARG 59 N 1.42 2.78 0.44 2.79 3.00 0.04 -4.57 118.95 124.84 1q8m s ARG 59 Ca 0.20 -1.29 -0.25 0.00 0.00 0.00 0.00 55.73 54.39 1q8m s ARG 59 Cb -0.15 -2.69 -0.09 0.00 0.00 0.00 0.00 34.95 32.02 1q8m s ARG 59 CO 0.08 -0.26 1.24 -3.47 0.00 0.00 0.00 175.30 172.90 1q8m n ASP 60 N -1.80 2.36 0.00 0.23 -0.08 -1.26 -2.35 116.55 113.65 1q8m n ASP 60 Ca 0.07 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1q8m n ASP 60 Cb 0.59 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1q8m n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q8m n GLY 61 N 0.86 0.63 3.66 0.27 0.00 -1.26 -3.95 105.19 105.40 1q8m n GLY 61 Ca 0.07 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.57 -5.64 -3.79 1.61 -0.58 -1.16 -4.97 120.64 103.55 1q8m n GLU 62 Ca 0.00 0.69 -0.36 0.00 -0.42 0.00 0.00 57.16 57.07 1q8m n GLU 62 Cb 0.01 -5.44 -0.12 0.00 -0.57 0.00 0.00 31.44 25.32 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 -5.94 2.17 0.50 3.49 -1.94 -0.99 -4.96 119.30 111.63 1q8m s MET 63 Ca 0.13 -1.64 -0.18 0.00 -1.71 0.00 0.00 55.69 52.30 1q8m s MET 63 Cb -0.06 -3.51 -0.08 0.00 2.01 0.00 0.00 34.83 33.19 1q8m s MET 63 CO 0.79 -0.94 0.98 -1.25 -0.01 0.00 0.00 175.02 174.59 1q8m s PRO 64 N 1.20 3.97 -0.27 2.03 0.04 -1.26 -0.78 135.00 139.94 1q8m s PRO 64 Ca 0.04 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1q8m s PRO 64 Cb -0.22 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.25 1q8m s PRO 64 CO -0.03 -0.25 -0.06 0.21 0.04 0.00 0.00 177.00 176.91 1q8m s LYS 65 N -3.85 1.93 0.04 4.56 2.20 0.04 -4.92 119.74 119.75 1q8m s LYS 65 Ca 0.60 -1.37 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 1q8m s LYS 65 Cb -0.10 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.29 1q8m s LYS 65 CO 0.27 -0.66 1.40 0.95 -0.36 0.00 0.00 175.35 176.96 1q8m s THR 66 N 1.14 3.57 -0.13 3.43 -4.23 -1.26 -1.78 115.64 116.39 1q8m s THR 66 Ca -0.04 1.03 0.19 0.00 -1.18 0.00 0.00 61.69 61.69 1q8m s THR 66 Cb -0.20 -3.66 -0.23 0.00 1.34 0.00 0.00 72.50 69.75 1q8m s THR 66 CO -0.06 0.03 0.45 0.18 -0.54 0.00 0.00 174.62 174.68 1q8m n LEU 67 N 4.90 0.30 -3.64 4.79 4.77 0.25 -4.97 117.00 123.40 1q8m n LEU 67 Ca 0.13 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 1q8m n LEU 67 Cb 0.43 0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1q8m n LEU 67 CO 0.59 0.23 0.65 0.00 -1.33 0.00 0.00 177.39 177.52 1q8m s ALA 68 N -2.95 -1.98 0.09 -1.18 0.00 -1.15 -4.94 121.76 109.66 1q8m s ALA 68 Ca -0.07 1.99 0.02 0.00 0.00 0.00 0.00 51.96 53.90 1q8m s ALA 68 Cb 0.09 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1q8m s ALA 68 CO 0.85 -0.28 -0.07 0.00 0.00 0.00 0.00 175.76 176.26 1q8m s THR 70 N -3.36 2.08 0.71 0.00 -4.23 0.77 -4.96 115.64 106.66 1q8m s THR 70 Ca 0.09 -0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 1q8m s THR 70 Cb 0.04 -2.94 0.16 0.00 1.34 0.00 0.00 72.50 71.10 1q8m s THR 70 CO -0.04 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.36 1q8m n GLU 71 N -3.34 -1.00 -3.75 3.99 1.02 -1.26 -4.65 120.64 111.65 1q8m n GLU 71 Ca 0.12 -1.46 -0.28 0.00 -0.02 0.00 0.00 57.16 55.52 1q8m n GLU 71 Cb 0.60 -0.99 -0.16 0.00 -0.02 0.00 0.00 31.44 30.87 1q8m n GLU 71 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1q8m s ARG 72 N -5.07 0.70 0.88 3.49 3.52 -1.26 -3.40 118.95 117.82 1q8m s ARG 72 Ca 0.54 -0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.56 1q8m s ARG 72 Cb -0.02 -2.10 0.22 0.00 -1.56 0.00 0.00 34.95 31.50 1q8m s ARG 72 CO 0.38 -0.63 0.71 -0.35 -0.81 0.00 0.00 175.30 174.60 1q8m n PRO 73 N 5.03 -2.85 -3.75 5.12 -0.04 -1.26 -5.08 135.00 132.18 1q8m n PRO 73 Ca -0.09 -1.15 -0.38 0.00 -0.04 0.00 0.00 63.50 61.84 1q8m n PRO 73 Cb 0.47 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 1q8m n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1q8m s SER 74 N -3.33 5.28 0.06 3.54 0.15 0.20 -4.90 113.70 114.69 1q8m s SER 74 Ca 0.48 -1.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1q8m s SER 74 Cb -0.06 -1.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 1q8m s SER 74 CO 0.38 -0.29 0.32 -1.59 1.20 0.00 0.00 173.24 173.25 1q8m s LYS 75 N 1.44 3.62 0.86 5.44 -2.85 -1.26 -4.29 119.74 122.70 1q8m s LYS 75 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 55.97 54.79 1q8m s LYS 75 Cb -0.19 -3.00 0.06 0.00 -2.06 0.00 0.00 37.83 32.64 1q8m s LYS 75 CO 0.03 0.58 0.84 -1.71 0.10 0.00 0.00 175.35 175.19 1q8m n ASN 76 N 0.77 -0.40 -4.14 0.03 5.15 -1.26 -3.82 115.26 111.58 1q8m n ASN 76 Ca -0.08 0.48 -0.31 0.00 -0.60 0.00 0.00 54.58 54.07 1q8m n ASN 76 Cb 0.52 -1.36 -0.04 0.00 -0.53 0.00 0.00 39.78 38.37 1q8m n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1q8m n SER 77 N -2.40 -1.25 -3.48 1.20 3.41 -1.25 -4.94 113.62 104.92 1q8m n SER 77 Ca 0.11 -1.06 -0.27 0.00 -0.26 0.00 0.00 58.87 57.39 1q8m n SER 77 Cb 0.52 -2.65 -0.09 0.00 -0.26 0.00 0.00 64.21 61.73 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 -4.41 1.87 -1.68 7.33 8.25 -1.25 -5.10 115.22 120.22 1q8m n HIS 78 Ca -0.16 -3.92 -0.44 0.00 -0.26 0.00 0.00 57.72 52.94 1q8m n HIS 78 Cb 0.61 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 1.56 2.14 -4.16 -0.41 -0.02 -1.26 -4.75 135.00 128.10 1q8m n PRO 79 Ca 0.25 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 62.15 1q8m n PRO 79 Cb 0.44 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.05 3.90 -0.14 -1.45 1.01 0.14 -4.95 120.40 118.95 1q8m s VAL 80 Ca 0.69 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 1q8m s VAL 80 Cb -0.63 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1q8m s VAL 80 CO 0.48 0.45 -0.13 -1.10 0.00 0.00 0.00 175.10 174.80 1q8m s GLN 81 N 0.84 3.35 -0.25 2.72 -0.21 -1.26 -0.59 119.66 124.25 1q8m s GLN 81 Ca 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 1q8m s GLN 81 Cb -0.14 -2.67 0.13 0.00 1.00 0.00 0.00 33.01 31.32 1q8m s GLN 81 CO 0.02 0.13 0.31 0.54 -2.12 0.00 0.00 175.29 174.17 1q8m s VAL 82 N 0.57 -0.47 0.00 1.09 0.11 -0.38 -5.02 120.40 116.30 1q8m s VAL 82 Ca -0.08 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1q8m s VAL 82 Cb -0.16 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1q8m s VAL 82 CO 0.03 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1q8m n GLY 83 N 5.33 1.95 1.88 6.54 0.00 -1.26 -1.76 105.19 117.87 1q8m n GLY 83 Ca -0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1q8m n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q8m n ARG 84 N 13.15 2.76 -3.97 1.61 1.85 -1.26 -4.85 116.66 125.94 1q8m n ARG 84 Ca 0.00 -2.49 -0.35 0.00 -1.00 0.00 0.00 57.85 54.01 1q8m n ARG 84 Cb 0.00 -2.02 -0.12 0.00 -1.05 0.00 0.00 32.46 29.27 1q8m n ARG 84 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1q8m s ILE 85 N -2.60 4.05 -0.22 8.89 1.01 -0.72 -0.87 121.20 130.74 1q8m s ILE 85 Ca 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1q8m s ILE 85 Cb 0.37 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1q8m s ILE 85 CO 0.10 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 1q8m s ILE 86 N 1.16 2.45 -0.14 2.92 1.01 -0.25 -1.26 121.20 127.10 1q8m s ILE 86 Ca 0.03 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1q8m s ILE 86 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1q8m s ILE 86 CO 0.02 0.28 -0.22 -0.22 0.00 0.00 0.00 174.94 174.81 1q8m s LEU 87 N 1.27 2.13 -0.02 2.97 0.20 0.24 -0.05 118.68 125.42 1q8m s LEU 87 Ca 0.00 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.23 1q8m s LEU 87 Cb -0.16 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1q8m s LEU 87 CO -0.08 0.08 0.02 -0.70 -0.29 0.00 0.00 176.35 175.38 1q8m s GLU 88 N 0.82 0.12 -0.28 1.98 2.12 0.79 0.27 118.70 124.52 1q8m s GLU 88 Ca -0.07 0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.21 1q8m s GLU 88 Cb -0.15 -0.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.87 1q8m s GLU 88 CO -0.02 -0.15 0.52 0.34 -0.54 0.00 0.00 175.26 175.41 1q8m s ASP 89 N 1.01 6.41 -0.94 -1.70 2.15 -1.26 0.04 116.67 122.38 1q8m s ASP 89 Ca -0.09 0.42 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 1q8m s ASP 89 Cb -0.13 -2.28 0.24 0.00 -0.30 0.00 0.00 42.92 40.45 1q8m s ASP 89 CO -0.02 -0.33 0.90 -0.31 -0.17 0.00 0.00 175.17 175.24 1q8m s TYR 90 N 2.34 3.97 0.28 -5.34 2.02 0.15 -3.88 117.35 116.89 1q8m s TYR 90 Ca 0.21 -2.39 0.01 0.00 -0.37 0.00 0.00 57.07 54.54 1q8m s TYR 90 Cb -0.16 -3.77 0.60 0.00 -0.40 0.00 0.00 41.96 38.24 1q8m s TYR 90 CO 0.10 -0.95 1.78 0.45 -1.57 0.00 0.00 175.55 175.36 1q8m h HIS 91 N 7.17 0.92 -0.75 2.71 3.86 -1.92 0.76 115.15 127.90 1q8m h HIS 91 Ca 0.14 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 1q8m h HIS 91 Cb 0.95 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 1q8m h HIS 91 CO 0.89 0.24 0.48 0.38 0.86 0.00 0.00 177.93 180.78 1q8m h ASP 92 N 0.73 0.80 0.17 2.45 2.03 -1.96 -2.41 116.42 118.24 1q8m h ASP 92 Ca 0.51 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1q8m h ASP 92 Cb 0.70 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1q8m h ASP 92 CO -0.35 0.56 -0.41 1.41 -1.03 0.00 0.00 179.24 179.42 1q8m n HIS 93 N -4.61 0.00 -3.20 4.15 8.25 -0.51 -4.98 115.22 114.32 1q8m n HIS 93 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1q8m n HIS 93 Cb 0.07 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.14 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 1.39 -0.37 3.20 -1.41 0.00 0.25 -4.78 105.19 103.48 1q8m n GLY 94 Ca 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.24 1.65 -0.21 0.99 -0.00 -1.07 -0.61 118.68 113.19 1q8m s LEU 95 Ca 0.40 -0.94 -0.08 0.00 -0.00 0.00 0.00 54.13 53.51 1q8m s LEU 95 Cb -0.17 0.68 -0.04 0.00 -0.00 0.00 0.00 46.19 46.65 1q8m s LEU 95 CO 0.49 -0.74 0.08 -0.22 -0.00 0.00 0.00 176.35 175.97 1q8m s LEU 96 N -2.95 3.79 -0.18 1.48 0.20 0.73 -0.68 118.68 121.06 1q8m s LEU 96 Ca 0.14 0.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.95 1q8m s LEU 96 Cb 0.06 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 1q8m s LEU 96 CO -0.05 0.10 -0.07 -0.60 -0.29 0.00 0.00 176.35 175.45 1q8m s ARG 97 N 0.80 3.42 -0.05 1.98 3.52 0.11 -0.01 118.95 128.72 1q8m s ARG 97 Ca 0.04 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1q8m s ARG 97 Cb -0.13 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1q8m s ARG 97 CO 0.02 -0.01 -0.21 0.08 -0.81 0.00 0.00 175.30 174.38 1q8m s VAL 98 N 0.96 2.43 -0.03 7.11 1.01 -0.15 -0.15 120.40 131.58 1q8m s VAL 98 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1q8m s VAL 98 Cb -0.15 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1q8m s VAL 98 CO 0.00 0.57 -0.12 -0.13 0.00 0.00 0.00 175.10 175.43 1q8m s ARG 99 N -0.39 1.21 -0.34 2.72 1.81 0.93 -1.37 118.95 123.52 1q8m s ARG 99 Ca 0.04 -0.42 0.02 0.00 -1.72 0.00 0.00 55.73 53.65 1q8m s ARG 99 Cb -0.12 -1.11 0.10 0.00 -0.45 0.00 0.00 34.95 33.38 1q8m s ARG 99 CO 0.02 0.18 0.09 -1.64 -0.68 0.00 0.00 175.30 173.27 1q8m s MET 100 N 0.07 1.18 0.22 3.54 -1.94 0.11 -1.09 119.30 121.39 1q8m s MET 100 Ca -0.02 -1.60 -0.30 0.00 -1.71 0.00 0.00 55.69 52.06 1q8m s MET 100 Cb -0.09 -2.66 -0.08 0.00 2.01 0.00 0.00 34.83 34.01 1q8m s MET 100 CO 0.01 -0.98 0.97 0.08 -0.01 0.00 0.00 175.02 175.08 1q8m s VAL 101 N 1.09 4.08 -0.99 -6.03 1.01 -0.05 -0.22 120.40 119.30 1q8m s VAL 101 Ca 0.11 2.00 -0.10 0.00 0.00 0.00 0.00 61.98 63.99 1q8m s VAL 101 Cb -0.19 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1q8m s VAL 101 CO -0.14 0.44 0.77 -3.20 0.00 0.00 0.00 175.10 172.97 1q8m n ASN 102 N 1.74 -6.12 -4.73 3.32 5.15 -1.13 -4.81 115.26 108.69 1q8m n ASN 102 Ca -0.01 -0.73 -0.41 0.00 -0.60 0.00 0.00 54.58 52.83 1q8m n ASN 102 Cb 0.47 -3.97 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 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 -3.23 4.17 -4.70 1.20 4.77 0.11 -4.46 117.00 114.87 1q8m n LEU 103 Ca -0.10 1.18 -0.23 0.00 -0.03 0.00 0.00 56.01 56.83 1q8m n LEU 103 Cb 0.59 -1.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1q8m n LEU 103 CO 0.62 -0.31 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.01 1q8m s GLN 104 N -2.08 2.36 0.40 3.23 -0.21 -1.26 0.14 119.66 122.23 1q8m s GLN 104 Ca 0.57 -1.48 0.18 0.00 0.02 0.00 0.00 55.36 54.66 1q8m s GLN 104 Cb -0.51 -2.18 0.86 0.00 1.00 0.00 0.00 33.01 32.17 1q8m s GLN 104 CO 0.61 0.23 1.84 0.28 -2.12 0.00 0.00 175.29 176.13 1q8m h VAL 105 N 1.70 0.95 0.00 1.09 2.07 -1.93 -2.29 116.25 117.84 1q8m h VAL 105 Ca -0.44 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1q8m h VAL 105 Cb 1.25 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1q8m h VAL 105 CO 0.62 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.91 1q8m n GLU 106 N -3.75 0.00 0.00 1.57 4.71 -1.26 -2.45 120.64 119.46 1q8m n GLU 106 Ca -0.01 0.17 0.11 0.00 -0.01 0.00 0.00 57.16 57.42 1q8m n GLU 106 Cb 0.42 -1.50 0.51 0.00 -1.01 0.00 0.00 31.44 29.86 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 -1.50 0.00 -4.69 1.62 8.00 -0.86 -4.84 116.55 114.28 1q8m n ASP 107 Ca 0.05 0.44 -0.45 0.00 0.71 0.00 0.00 54.79 55.54 1q8m n ASP 107 Cb 0.23 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.48 3.25 0.00 -2.24 7.64 -1.03 -4.91 113.62 114.86 1q8m n SER 108 Ca 0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1q8m n SER 108 Cb 0.27 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 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 3.07 -1.56 3.58 0.23 0.00 -0.66 -5.02 105.19 104.83 1q8m n GLY 109 Ca 0.15 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1q8m n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q8m s LEU 110 N 0.00 3.88 0.24 0.99 0.20 -1.26 -1.11 118.68 121.62 1q8m s LEU 110 Ca 0.00 -0.02 0.10 0.00 0.69 0.00 0.00 54.13 54.90 1q8m s LEU 110 Cb 0.00 -2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 43.66 1q8m s LEU 110 CO 0.00 0.01 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.59 1q8m s TYR 111 N 1.41 1.96 -0.07 5.38 2.02 0.45 0.17 117.35 128.66 1q8m s TYR 111 Ca 0.07 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.05 1q8m s TYR 111 Cb -0.15 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1q8m s TYR 111 CO 0.07 0.51 0.57 1.14 -1.57 0.00 0.00 175.55 176.27 1q8m s GLN 112 N -3.58 0.90 0.20 -0.62 -2.07 -0.60 0.05 119.66 113.94 1q8m s GLN 112 Ca 0.26 0.24 -0.15 0.00 -1.82 0.00 0.00 55.36 53.89 1q8m s GLN 112 Cb -0.03 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.24 1q8m s GLN 112 CO 0.10 -0.25 0.61 0.00 -1.32 0.00 0.00 175.29 174.43 1q8m s VAL 114 N -1.61 0.37 -0.32 0.00 1.01 0.52 -4.50 120.40 115.87 1q8m s VAL 114 Ca 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1q8m s VAL 114 Cb -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1q8m s VAL 114 CO 0.20 0.14 0.09 -0.63 0.00 0.00 0.00 175.10 174.89 1q8m s ILE 115 N 0.29 3.74 0.14 2.22 1.01 -1.26 -0.83 121.20 126.52 1q8m s ILE 115 Ca -0.03 -1.03 -0.34 0.00 0.00 0.00 0.00 60.65 59.24 1q8m s ILE 115 Cb -0.07 -3.07 -0.14 0.00 0.01 0.00 0.00 42.46 39.20 1q8m s ILE 115 CO -0.00 -0.10 1.57 -1.22 0.00 0.00 0.00 174.94 175.19 1q8m n TYR 116 N 4.81 2.20 -4.06 3.97 0.53 0.30 -4.92 117.16 119.98 1q8m n TYR 116 Ca -0.13 0.30 -0.13 0.00 -1.02 0.00 0.00 57.90 56.92 1q8m n TYR 116 Cb 0.45 -2.53 -0.11 0.00 -1.03 0.00 0.00 39.34 36.12 1q8m n TYR 116 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1q8m s GLN 117 N 1.01 0.53 0.29 -0.72 -0.21 -1.26 -4.59 119.66 114.70 1q8m s GLN 117 Ca 0.80 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 55.10 1q8m s GLN 117 Cb -0.71 -0.27 -0.11 0.00 1.00 0.00 0.00 33.01 32.91 1q8m s GLN 117 CO 0.39 0.04 1.60 -1.25 -2.12 0.00 0.00 175.29 173.96 1q8m s PRO 118 N -1.68 4.12 0.50 2.91 0.04 -1.26 -4.90 135.00 134.73 1q8m s PRO 118 Ca -0.09 2.58 0.34 0.00 0.04 0.00 0.00 61.00 63.87 1q8m s PRO 118 Cb -0.09 -3.03 1.84 0.00 0.04 0.00 0.00 34.50 33.26 1q8m s PRO 118 CO 0.00 -0.64 2.04 -1.00 0.04 0.00 0.00 177.00 177.44 1q8m h PRO 119 N 4.97 0.00 -0.01 0.56 0.13 -2.00 -2.55 132.00 133.10 1q8m h PRO 119 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1q8m h PRO 119 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1q8m h PRO 119 CO 0.80 0.00 -0.05 1.63 -0.23 0.00 0.00 178.00 180.15 1q8m n LYS 120 N -2.69 1.30 -4.39 0.86 5.02 -1.26 -4.89 118.16 112.12 1q8m n LYS 120 Ca -0.02 -0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 55.39 1q8m n LYS 120 Cb 0.05 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 1q8m n LYS 120 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q8m s GLU 121 N -2.13 1.43 0.21 1.97 2.02 -0.96 -5.11 118.70 116.12 1q8m s GLU 121 Ca 0.37 -1.49 -0.31 0.00 0.02 0.00 0.00 54.97 53.56 1q8m s GLU 121 Cb 0.21 -1.63 -0.10 0.00 0.10 0.00 0.00 34.13 32.70 1q8m s GLU 121 CO 0.39 0.34 1.52 -1.25 0.02 0.00 0.00 175.26 176.28 1q8m s PRO 122 N -2.77 4.23 0.04 0.39 0.04 -1.26 -4.88 135.00 130.79 1q8m s PRO 122 Ca 0.19 2.36 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 1q8m s PRO 122 Cb -0.07 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 1q8m s PRO 122 CO 0.09 -0.53 0.72 -1.01 0.04 0.00 0.00 177.00 176.31 1q8m s HIS 123 N 0.57 3.73 0.02 0.56 3.76 -1.26 -5.04 115.29 117.63 1q8m s HIS 123 Ca 0.65 1.41 -0.25 0.00 -0.15 0.00 0.00 55.06 56.72 1q8m s HIS 123 Cb -0.43 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 1q8m s HIS 123 CO 0.38 0.30 0.76 1.41 -0.85 0.00 0.00 174.74 176.74 1q8m s MET 124 N -0.13 4.48 -0.03 1.40 1.75 -1.26 -5.05 119.30 120.46 1q8m s MET 124 Ca 0.36 1.04 0.05 0.00 -1.25 0.00 0.00 55.69 55.89 1q8m s MET 124 Cb -0.20 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.08 1q8m s MET 124 CO 0.22 0.24 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.13 1q8m s LEU 125 N 0.11 1.98 0.36 4.11 1.43 -1.26 -4.77 118.68 120.64 1q8m s LEU 125 Ca 0.39 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1q8m s LEU 125 Cb -0.20 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.94 1q8m s LEU 125 CO 0.22 0.20 0.77 -0.36 0.23 0.00 0.00 176.35 177.41 1q8m s PHE 126 N -0.21 3.40 0.53 0.29 0.08 -1.26 -5.04 117.98 115.77 1q8m s PHE 126 Ca 0.02 1.20 -0.19 0.00 0.12 0.00 0.00 56.93 58.07 1q8m s PHE 126 Cb -0.10 -2.54 -0.06 0.00 -0.57 0.00 0.00 43.02 39.76 1q8m s PHE 126 CO 0.01 -0.00 1.09 -0.51 -0.10 0.00 0.00 175.22 175.71 1q8m s ASP 127 N -2.58 5.92 0.93 1.36 1.01 -1.26 -4.88 116.67 117.16 1q8m s ASP 127 Ca 0.54 2.05 -0.15 0.00 0.71 0.00 0.00 52.55 55.71 1q8m s ASP 127 Cb -0.10 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.42 1q8m s ASP 127 CO 0.22 -1.08 1.24 -0.13 0.21 0.00 0.00 175.17 175.63 1q8m s ARG 128 N -3.37 0.97 -0.20 8.23 0.52 -0.57 -4.80 118.95 119.74 1q8m s ARG 128 Ca 0.70 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1q8m s ARG 128 Cb -0.20 -1.86 0.05 0.00 0.52 0.00 0.00 34.95 33.46 1q8m s ARG 128 CO 0.26 -2.24 -0.07 0.42 0.02 0.00 0.00 175.30 173.69 1q8m s ILE 129 N -3.64 1.39 -1.02 1.52 1.01 0.11 -3.15 121.20 117.42 1q8m s ILE 129 Ca 0.69 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 1q8m s ILE 129 Cb -0.08 -1.56 0.18 0.00 0.01 0.00 0.00 42.46 41.02 1q8m s ILE 129 CO 0.52 0.08 1.14 -0.60 0.00 0.00 0.00 174.94 176.07 1q8m s ARG 130 N 1.50 3.83 -0.06 2.79 3.52 0.79 -0.41 118.95 130.90 1q8m s ARG 130 Ca -0.02 -2.37 -0.30 0.00 -0.13 0.00 0.00 55.73 52.92 1q8m s ARG 130 Cb -0.17 -4.80 -0.04 0.00 -1.56 0.00 0.00 34.95 28.39 1q8m s ARG 130 CO -0.08 -1.59 1.32 -1.17 -0.81 0.00 0.00 175.30 172.98 1q8m s LEU 131 N 1.23 4.27 -0.25 -0.88 0.20 -0.26 -1.13 118.68 121.86 1q8m s LEU 131 Ca 0.32 1.92 0.02 0.00 0.69 0.00 0.00 54.13 57.09 1q8m s LEU 131 Cb -0.06 -3.55 0.06 0.00 -0.43 0.00 0.00 46.19 42.20 1q8m s LEU 131 CO -0.06 -0.70 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.51 1q8m s VAL 132 N 2.70 1.96 -0.26 1.68 1.01 0.45 -1.65 120.40 126.30 1q8m s VAL 132 Ca 0.60 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1q8m s VAL 132 Cb -0.27 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1q8m s VAL 132 CO 0.22 -0.03 0.48 -0.69 0.00 0.00 0.00 175.10 175.08 1q8m s VAL 133 N 1.20 5.10 0.15 2.92 1.01 -1.26 -1.97 120.40 127.54 1q8m s VAL 133 Ca -0.08 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1q8m s VAL 133 Cb -0.19 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1q8m s VAL 133 CO -0.06 0.11 0.17 0.42 0.00 0.00 0.00 175.10 175.75 1q8m s THR 134 N 2.17 4.73 0.55 3.92 -4.23 -0.08 -4.69 115.64 118.02 1q8m s THR 134 Ca 0.20 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.61 1q8m s THR 134 Cb -0.16 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1q8m s THR 134 CO 0.09 -0.07 1.08 -0.76 -0.54 0.00 0.00 174.62 174.42 1q8m s LEU 135 N -3.03 3.66 0.00 4.79 1.43 -1.26 -0.90 118.68 123.37 1q8m s LEU 135 Ca 0.32 1.97 0.23 0.00 -1.03 0.00 0.00 54.13 55.62 1q8m s LEU 135 Cb -0.11 -4.56 1.38 0.00 0.03 0.00 0.00 46.19 42.94 1q8m s LEU 135 CO 0.25 -1.11 1.75 -1.84 0.23 0.00 0.00 176.35 175.62