#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdx s PRO 9 N 0.00 1.39 -0.10 0.00 0.04 -1.26 -5.05 135.00 130.02 3mdx s PRO 9 Ca 0.00 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.57 3mdx s PRO 9 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3mdx s PRO 9 CO 0.00 -2.35 -0.21 0.99 0.04 0.00 0.00 177.00 175.47 3mdx s THR 10 N -2.62 2.39 -0.31 1.26 2.01 -1.26 -5.10 115.64 112.01 3mdx s THR 10 Ca 0.67 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 3mdx s THR 10 Cb -0.22 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 3mdx s THR 10 CO 0.56 0.55 0.29 -0.22 -0.69 0.00 0.00 174.62 175.12 3mdx s LEU 11 N 0.21 4.25 0.27 4.42 2.96 -1.26 -4.38 118.68 125.15 3mdx s LEU 11 Ca -0.13 -0.09 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 3mdx s LEU 11 Cb -0.16 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.18 3mdx s LEU 11 CO 0.07 -0.21 0.80 -0.83 -1.32 0.00 0.00 176.35 174.86 3mdx s GLY 12 N 1.72 2.65 -0.08 7.98 0.00 -0.88 -4.94 107.32 113.77 3mdx s GLY 12 Ca 0.10 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 3mdx s GLY 12 CO 0.11 0.65 -0.02 -0.42 0.00 0.00 0.00 173.10 173.42 3mdx s ILE 13 N -1.60 0.51 -0.24 0.90 1.01 -1.26 -0.56 121.20 119.96 3mdx s ILE 13 Ca 0.46 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 3mdx s ILE 13 Cb -0.17 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3mdx s ILE 13 CO 0.21 0.28 0.13 -0.63 0.00 0.00 0.00 174.94 174.94 3mdx s ILE 14 N 1.84 5.08 -0.20 2.92 1.01 0.19 -4.97 121.20 127.08 3mdx s ILE 14 Ca 0.04 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 3mdx s ILE 14 Cb -0.12 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 3mdx s ILE 14 CO -0.05 0.34 0.58 -0.60 0.00 0.00 0.00 174.94 175.21 3mdx s ARG 15 N 1.17 4.21 0.65 2.79 3.52 -1.26 -0.97 118.95 129.05 3mdx s ARG 15 Ca 0.06 0.53 -0.09 0.00 -0.13 0.00 0.00 55.73 56.11 3mdx s ARG 15 Cb -0.14 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3mdx s ARG 15 CO 0.05 -0.19 1.01 -0.51 -0.81 0.00 0.00 175.30 174.85 3mdx s LEU 16 N 1.77 3.08 0.28 -0.88 1.43 0.63 -4.95 118.68 120.03 3mdx s LEU 16 Ca 0.27 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3mdx s LEU 16 Cb -0.16 -3.84 0.52 0.00 0.03 0.00 0.00 46.19 42.74 3mdx s LEU 16 CO 0.10 -1.17 1.84 -0.08 0.23 0.00 0.00 176.35 177.27 3mdx h GLU 17 N -0.42 0.99 0.00 1.70 4.57 -1.98 0.00 114.58 119.44 3mdx h GLU 17 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3mdx h GLU 17 Cb 1.25 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3mdx h GLU 17 CO 0.62 0.65 0.00 -2.39 -1.18 0.00 0.00 179.01 176.72 3mdx n HIS 18 N -4.61 0.00 1.19 0.92 1.44 -1.26 -1.60 115.22 111.30 3mdx n HIS 18 Ca 0.18 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 3mdx n HIS 18 Cb 0.32 -0.49 0.25 0.00 0.12 0.00 0.00 29.99 30.19 3mdx n HIS 18 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mdx n ALA 19 N -1.49 2.90 -1.70 1.59 0.00 -0.02 -4.79 120.51 117.00 3mdx n ALA 19 Ca 0.04 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 3mdx n ALA 19 Cb 0.20 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3mdx n ALA 19 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3mdx n LYS 20 N 0.25 2.33 0.00 0.00 2.85 -0.63 -2.11 118.16 120.85 3mdx n LYS 20 Ca 0.14 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.23 3mdx n LYS 20 Cb 0.45 -2.54 0.00 0.00 -0.65 0.00 0.00 35.03 32.28 3mdx n LYS 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mdx n GLY 21 N 2.19 2.76 3.87 2.58 0.00 -1.26 -5.04 105.19 110.28 3mdx n GLY 21 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3mdx n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mdx s LEU 22 N 0.00 4.07 0.27 0.99 1.43 -0.90 -5.05 118.68 119.50 3mdx s LEU 22 Ca 0.00 1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 3mdx s LEU 22 Cb 0.00 -3.84 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 3mdx s LEU 22 CO 0.00 -0.17 1.32 -1.81 0.23 0.00 0.00 176.35 175.92 3mdx s ASP 23 N -2.53 6.81 0.70 2.29 1.01 -1.26 -5.01 116.67 118.68 3mdx s ASP 23 Ca 0.50 2.57 -0.13 0.00 0.71 0.00 0.00 52.55 56.20 3mdx s ASP 23 Cb -0.11 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.21 3mdx s ASP 23 CO 0.22 -0.54 1.11 -0.76 0.21 0.00 0.00 175.17 175.41 3mdx s LEU 24 N -0.98 3.26 0.49 1.23 1.43 -1.26 -4.95 118.68 117.90 3mdx s LEU 24 Ca 0.53 1.96 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 3mdx s LEU 24 Cb -0.39 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.21 3mdx s LEU 24 CO 0.46 -1.80 1.09 -2.65 0.23 0.00 0.00 176.35 173.67 3mdx n PRO 25 N -2.81 1.38 -3.55 1.29 -0.02 -1.26 -5.00 135.00 125.03 3mdx n PRO 25 Ca 0.10 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 3mdx n PRO 25 Cb 0.52 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3mdx n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mdx s ALA 26 N -1.33 -1.46 0.07 3.55 0.00 -1.26 -5.05 121.76 116.27 3mdx s ALA 26 Ca 0.67 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 3mdx s ALA 26 Cb -0.49 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3mdx s ALA 26 CO 0.53 -0.49 1.02 0.71 0.00 0.00 0.00 175.76 177.53 3mdx s TYR 27 N -2.23 3.67 0.17 0.00 2.02 -1.26 -4.37 117.35 115.35 3mdx s TYR 27 Ca -0.06 1.66 -0.13 0.00 -0.37 0.00 0.00 57.07 58.16 3mdx s TYR 27 Cb -0.01 -3.16 0.06 0.00 -0.40 0.00 0.00 41.96 38.45 3mdx s TYR 27 CO 0.00 -0.21 1.76 1.05 -1.57 0.00 0.00 175.55 176.59 3mdx h GLU 28 N 6.15 0.78 -4.64 -0.62 4.11 -1.95 -3.46 114.58 114.95 3mdx h GLU 28 Ca -0.42 -0.10 -0.30 0.00 0.07 0.00 0.00 59.36 58.60 3mdx h GLU 28 Cb 1.21 -0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 3mdx h GLU 28 CO 0.74 0.62 -0.56 0.95 0.07 0.00 0.00 179.01 180.84 3mdx s THR 29 N -5.77 0.00 0.52 -1.06 -4.23 -1.26 -5.02 115.64 98.82 3mdx s THR 29 Ca -0.13 -1.97 0.37 0.00 -1.18 0.00 0.00 61.69 58.78 3mdx s THR 29 Cb 0.12 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.86 3mdx s THR 29 CO 0.77 0.00 2.24 0.00 -0.54 0.00 0.00 174.62 177.09 3mdx h ALA 30 N 2.46 1.15 0.00 3.99 0.00 -2.04 -2.21 119.26 122.60 3mdx h ALA 30 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mdx h ALA 30 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mdx h ALA 30 CO 0.47 0.03 -0.44 0.41 0.00 0.00 0.00 179.25 179.72 3mdx n GLY 31 N -0.88 -1.46 3.76 0.00 0.00 -1.26 -4.97 105.19 100.38 3mdx n GLY 31 Ca -0.02 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3mdx n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mdx s SER 32 N -4.05 5.84 -0.09 1.61 0.01 -0.83 -4.94 113.70 111.25 3mdx s SER 32 Ca 0.08 2.60 0.15 0.00 1.31 0.00 0.00 55.95 60.09 3mdx s SER 32 Cb 0.14 -2.63 -0.23 0.00 0.21 0.00 0.00 66.02 63.51 3mdx s SER 32 CO 0.68 -1.17 0.47 0.00 0.41 0.00 0.00 173.24 173.64 3mdx n ALA 33 N -0.53 1.54 -2.34 1.44 0.00 -1.26 -4.97 120.51 114.40 3mdx n ALA 33 Ca 0.07 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.40 3mdx n ALA 33 Cb 0.45 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 3mdx n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mdx s GLY 34 N -5.21 1.70 -0.08 0.00 0.00 -1.26 -4.59 107.32 97.89 3mdx s GLY 34 Ca -0.06 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 42.84 3mdx s GLY 34 CO 0.83 -1.65 -0.18 1.06 0.00 0.00 0.00 173.10 173.16 3mdx s MET 35 N -3.96 2.84 0.32 2.90 1.00 0.07 -4.62 119.30 117.86 3mdx s MET 35 Ca 0.34 -0.77 -0.28 0.00 0.00 0.00 0.00 55.69 54.97 3mdx s MET 35 Cb 0.07 -2.38 -0.10 0.00 0.00 0.00 0.00 34.83 32.42 3mdx s MET 35 CO 0.12 0.38 1.19 -0.51 0.00 0.00 0.00 175.02 176.20 3mdx s ASP 36 N -0.12 6.93 -0.07 3.03 1.01 -1.26 -0.49 116.67 125.69 3mdx s ASP 36 Ca -0.03 2.44 -0.00 0.00 0.71 0.00 0.00 52.55 55.67 3mdx s ASP 36 Cb -0.14 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3mdx s ASP 36 CO 0.04 -0.40 -0.04 -0.76 0.21 0.00 0.00 175.17 174.22 3mdx s LEU 37 N -1.80 3.33 0.10 1.23 1.43 -0.14 -4.56 118.68 118.27 3mdx s LEU 37 Ca 0.49 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 3mdx s LEU 37 Cb -0.34 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3mdx s LEU 37 CO 0.45 0.37 -0.10 -0.13 0.23 0.00 0.00 176.35 177.17 3mdx s ARG 38 N -0.87 2.15 -0.08 1.70 0.52 -1.26 -0.65 118.95 120.47 3mdx s ARG 38 Ca 0.13 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3mdx s ARG 38 Cb -0.11 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3mdx s ARG 38 CO 0.02 0.51 1.35 0.00 0.02 0.00 0.00 175.30 177.21 3mdx s ALA 39 N -1.21 3.60 -0.82 2.13 0.00 -0.10 -4.48 121.76 120.88 3mdx s ALA 39 Ca 0.21 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 3mdx s ALA 39 Cb -0.11 -3.61 0.36 0.00 0.00 0.00 0.00 23.12 19.75 3mdx s ALA 39 CO 0.13 -1.05 1.98 0.00 0.00 0.00 0.00 175.76 176.82 3mdx n ALA 40 N 6.04 6.44 -1.97 0.00 0.00 0.35 -0.44 120.51 130.93 3mdx n ALA 40 Ca 0.14 -4.11 -0.28 0.00 0.00 0.00 0.00 53.44 49.18 3mdx n ALA 40 Cb 0.44 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 18.03 3mdx n ALA 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mdx s VAL 41 N -5.10 3.24 0.40 0.00 -7.23 -1.26 -4.77 120.40 105.68 3mdx s VAL 41 Ca 0.52 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.56 3mdx s VAL 41 Cb 0.44 -3.36 -0.10 0.00 0.56 0.00 0.00 36.38 33.92 3mdx s VAL 41 CO -0.39 -0.42 1.46 0.00 -0.31 0.00 0.00 175.10 175.44 3mdx n ALA 42 N -2.86 2.21 -1.74 1.32 0.00 -1.26 -4.49 120.51 113.69 3mdx n ALA 42 Ca 0.06 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 3mdx n ALA 42 Cb 0.58 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.67 3mdx n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3mdx n GLU 43 N 0.28 1.72 -1.13 0.00 4.07 -1.26 -3.16 120.64 121.16 3mdx n GLU 43 Ca 0.03 0.63 -0.05 0.00 -0.06 0.00 0.00 57.16 57.71 3mdx n GLU 43 Cb 0.39 -2.55 -0.02 0.00 -0.06 0.00 0.00 31.44 29.20 3mdx n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3mdx n ASP 44 N -0.84 -4.09 -4.23 4.31 8.00 -1.26 -4.98 116.55 113.46 3mdx n ASP 44 Ca 0.10 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.38 3mdx n ASP 44 Cb 0.44 -1.99 -0.16 0.00 -0.02 0.00 0.00 41.12 39.39 3mdx n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3mdx s ARG 45 N -1.84 3.12 -0.38 -1.24 3.52 -1.19 -5.11 118.95 115.84 3mdx s ARG 45 Ca 0.00 -0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.68 3mdx s ARG 45 Cb 0.00 -2.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.93 3mdx s ARG 45 CO 0.00 0.06 0.21 -0.65 -0.81 0.00 0.00 175.30 174.11 3mdx s GLN 46 N 0.67 2.80 -0.12 5.12 -1.52 -1.26 -4.50 119.66 120.85 3mdx s GLN 46 Ca -0.09 -1.10 -0.19 0.00 -1.95 0.00 0.00 55.36 52.03 3mdx s GLN 46 Cb -0.16 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.86 3mdx s GLN 46 CO 0.02 -0.71 0.51 0.42 -0.25 0.00 0.00 175.29 175.28 3mdx s ILE 47 N 1.55 5.16 -0.23 1.08 1.01 -0.29 -4.91 121.20 124.57 3mdx s ILE 47 Ca 0.02 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 3mdx s ILE 47 Cb -0.19 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3mdx s ILE 47 CO 0.07 0.29 0.24 -0.69 0.00 0.00 0.00 174.94 174.85 3mdx s VAL 48 N 0.80 5.30 -0.30 2.92 1.01 -1.26 -0.18 120.40 128.68 3mdx s VAL 48 Ca 0.27 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3mdx s VAL 48 Cb -0.15 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3mdx s VAL 48 CO 0.11 0.30 -0.01 -0.22 0.00 0.00 0.00 175.10 175.28 3mdx s LEU 49 N 1.24 3.99 0.63 3.92 2.96 0.72 -4.97 118.68 127.17 3mdx s LEU 49 Ca 0.11 -1.48 -0.09 0.00 -0.22 0.00 0.00 54.13 52.45 3mdx s LEU 49 Cb -0.14 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 3mdx s LEU 49 CO 0.06 -0.28 0.99 -0.76 -1.32 0.00 0.00 176.35 175.04 3mdx s LEU 50 N 1.16 3.14 0.16 -0.68 1.43 -1.26 -1.19 118.68 121.43 3mdx s LEU 50 Ca -0.03 1.03 -0.34 0.00 -1.03 0.00 0.00 54.13 53.75 3mdx s LEU 50 Cb -0.20 -3.89 -0.14 0.00 0.03 0.00 0.00 46.19 41.99 3mdx s LEU 50 CO -0.03 -1.09 1.54 -2.65 0.23 0.00 0.00 176.35 174.34 3mdx n PRO 51 N -2.75 2.03 0.00 1.29 -0.02 -1.26 -1.52 135.00 132.77 3mdx n PRO 51 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3mdx n PRO 51 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3mdx n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mdx n GLY 52 N 3.25 1.98 3.92 -1.23 0.00 0.12 -5.02 105.19 108.20 3mdx n GLY 52 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3mdx n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mdx s ARG 53 N -0.41 3.57 0.10 1.61 1.81 -0.57 -4.78 118.95 120.28 3mdx s ARG 53 Ca 0.00 -0.11 0.06 0.00 -1.72 0.00 0.00 55.73 53.96 3mdx s ARG 53 Cb 0.00 -2.65 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 3mdx s ARG 53 CO 0.00 0.19 -0.15 -0.98 -0.68 0.00 0.00 175.30 173.68 3mdx s ARG 54 N -3.81 0.97 0.08 3.54 1.70 -1.26 -1.35 118.95 118.82 3mdx s ARG 54 Ca 0.42 -1.13 -0.19 0.00 -0.47 0.00 0.00 55.73 54.36 3mdx s ARG 54 Cb -0.10 -0.96 0.04 0.00 -0.57 0.00 0.00 34.95 33.36 3mdx s ARG 54 CO 0.32 0.20 0.46 -0.08 -1.08 0.00 0.00 175.30 175.12 3mdx s THR 55 N -1.69 0.05 -0.12 4.99 -1.32 -0.41 -5.01 115.64 112.13 3mdx s THR 55 Ca 0.05 -0.38 -0.22 0.00 -1.21 0.00 0.00 61.69 59.93 3mdx s THR 55 Cb -0.07 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3mdx s THR 55 CO 0.03 -0.21 0.65 -0.76 -2.21 0.00 0.00 174.62 172.11 3mdx s LEU 56 N -2.29 4.25 -0.24 9.08 1.43 -1.26 -1.43 118.68 128.23 3mdx s LEU 56 Ca -0.02 1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 54.04 3mdx s LEU 56 Cb 0.00 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 3mdx s LEU 56 CO -0.06 -0.15 0.03 -0.69 0.23 0.00 0.00 176.35 175.71 3mdx s VAL 57 N 1.15 3.98 0.36 -1.59 1.01 0.68 -4.90 120.40 121.09 3mdx s VAL 57 Ca 0.33 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 3mdx s VAL 57 Cb -0.17 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 3mdx s VAL 57 CO 0.14 0.37 1.16 -2.16 0.00 0.00 0.00 175.10 174.61 3mdx s PRO 58 N 1.51 4.27 0.00 2.72 0.04 -1.26 -1.06 135.00 141.22 3mdx s PRO 58 Ca 0.06 1.85 0.22 0.00 0.04 0.00 0.00 61.00 63.17 3mdx s PRO 58 Cb -0.15 -2.86 -0.26 0.00 0.04 0.00 0.00 34.50 31.28 3mdx s PRO 58 CO 0.01 -0.13 0.66 0.25 0.04 0.00 0.00 177.00 177.82 3mdx n THR 59 N 0.47 0.06 -1.26 1.26 -2.24 -0.90 -0.50 114.28 111.17 3mdx n THR 59 Ca 0.02 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 3mdx n THR 59 Cb 0.46 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3mdx n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mdx n GLY 60 N 1.31 1.04 3.31 3.38 0.00 -1.26 -4.43 105.19 108.54 3mdx n GLY 60 Ca -0.02 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3mdx n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mdx s LEU 61 N -2.05 2.22 -0.20 0.99 1.43 -1.26 -0.27 118.68 119.54 3mdx s LEU 61 Ca 0.00 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3mdx s LEU 61 Cb 0.00 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3mdx s LEU 61 CO 0.00 0.25 0.07 -0.63 0.23 0.00 0.00 176.35 176.27 3mdx s ILE 62 N -0.21 4.67 -0.10 -0.59 1.01 -0.15 -0.62 121.20 125.22 3mdx s ILE 62 Ca -0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3mdx s ILE 62 Cb -0.13 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 3mdx s ILE 62 CO 0.03 0.42 0.33 -0.76 0.00 0.00 0.00 174.94 174.96 3mdx s LEU 63 N 0.78 4.34 -0.69 2.97 1.43 -1.26 -0.64 118.68 125.62 3mdx s LEU 63 Ca 0.04 0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 3mdx s LEU 63 Cb -0.13 -2.44 0.18 0.00 0.03 0.00 0.00 46.19 43.83 3mdx s LEU 63 CO 0.02 0.21 0.53 -1.61 0.23 0.00 0.00 176.35 175.72 3mdx s GLU 64 N -0.23 2.81 -0.07 1.70 2.02 0.27 -4.63 118.70 120.56 3mdx s GLU 64 Ca 0.20 -2.60 -0.26 0.00 0.02 0.00 0.00 54.97 52.32 3mdx s GLU 64 Cb -0.14 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 3mdx s GLU 64 CO 0.08 -1.20 0.84 0.42 0.02 0.00 0.00 175.26 175.42 3mdx s ILE 65 N -0.17 4.94 0.55 -1.63 1.01 -1.26 -2.07 121.20 122.57 3mdx s ILE 65 Ca 0.18 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.37 3mdx s ILE 65 Cb -0.18 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 3mdx s ILE 65 CO -0.05 0.16 1.11 -2.16 0.00 0.00 0.00 174.94 174.01 3mdx s PRO 66 N 1.21 3.34 0.38 2.79 0.04 -1.26 -4.45 135.00 137.04 3mdx s PRO 66 Ca 0.43 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 3mdx s PRO 66 Cb -0.19 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3mdx s PRO 66 CO 0.20 -0.85 1.41 0.94 0.04 0.00 0.00 177.00 178.75 3mdx n GLN 67 N -1.42 2.42 -0.15 4.56 7.27 -1.26 -2.21 117.38 126.60 3mdx n GLN 67 Ca 0.11 0.85 0.00 0.00 0.07 0.00 0.00 57.00 58.03 3mdx n GLN 67 Cb 0.51 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.62 3mdx n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mdx n GLY 68 N 0.58 0.63 3.18 1.69 0.00 -1.26 -5.07 105.19 104.95 3mdx n GLY 68 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3mdx n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mdx s TYR 69 N -2.24 0.93 0.18 1.61 2.02 -0.94 -0.47 117.35 118.44 3mdx s TYR 69 Ca 0.00 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 3mdx s TYR 69 Cb 0.00 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 3mdx s TYR 69 CO 0.00 -0.24 0.06 -1.83 -1.57 0.00 0.00 175.55 171.98 3mdx s GLU 70 N -3.89 1.13 -0.07 -0.62 -1.05 0.46 -3.98 118.70 110.68 3mdx s GLU 70 Ca 0.16 -1.57 0.06 0.00 -0.15 0.00 0.00 54.97 53.46 3mdx s GLU 70 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 3mdx s GLU 70 CO -0.02 -0.26 -0.25 0.08 0.95 0.00 0.00 175.26 175.76 3mdx s VAL 71 N -3.90 2.04 -0.20 1.83 1.01 -0.30 -1.43 120.40 119.45 3mdx s VAL 71 Ca 0.30 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3mdx s VAL 71 Cb 0.07 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3mdx s VAL 71 CO 0.07 0.56 0.03 -1.10 0.00 0.00 0.00 175.10 174.67 3mdx s GLN 72 N -0.04 3.77 -0.38 2.72 -0.21 0.57 -0.70 119.66 125.38 3mdx s GLN 72 Ca -0.07 -0.45 -0.17 0.00 0.02 0.00 0.00 55.36 54.69 3mdx s GLN 72 Cb -0.15 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.71 3mdx s GLN 72 CO 0.05 0.10 0.44 0.42 -2.12 0.00 0.00 175.29 174.18 3mdx s ILE 73 N 0.80 5.08 0.26 1.08 -1.09 0.02 -0.93 121.20 126.42 3mdx s ILE 73 Ca 0.02 -0.06 0.10 0.00 -2.23 0.00 0.00 60.65 58.48 3mdx s ILE 73 Cb -0.14 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 3mdx s ILE 73 CO 0.02 -0.29 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.24 3mdx s ARG 74 N 2.19 2.08 0.57 2.79 0.52 0.38 -1.15 118.95 126.34 3mdx s ARG 74 Ca 0.14 -1.52 -0.17 0.00 -0.52 0.00 0.00 55.73 53.66 3mdx s ARG 74 Cb -0.16 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 3mdx s ARG 74 CO 0.13 0.36 1.06 -2.14 0.02 0.00 0.00 175.30 174.73 3mdx s PRO 75 N -3.57 3.39 -0.02 3.54 0.02 -1.26 -0.79 135.00 136.32 3mdx s PRO 75 Ca 0.30 1.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 3mdx s PRO 75 Cb -0.06 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 3mdx s PRO 75 CO 0.18 -0.76 1.05 1.03 -0.33 0.00 0.00 177.00 178.17 3mdx s ARG 76 N -3.89 4.48 0.13 5.54 0.52 -1.26 -4.58 118.95 119.89 3mdx s ARG 76 Ca 0.65 1.50 -0.16 0.00 -0.52 0.00 0.00 55.73 57.20 3mdx s ARG 76 Cb -0.17 -3.47 -0.00 0.00 0.52 0.00 0.00 34.95 31.83 3mdx s ARG 76 CO 0.33 -0.19 1.68 0.66 0.02 0.00 0.00 175.30 177.81 3mdx h SER 77 N 6.94 0.56 -0.42 0.23 4.64 -1.95 -2.82 113.55 120.73 3mdx h SER 77 Ca -0.38 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 60.70 3mdx h SER 77 Cb 1.20 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3mdx h SER 77 CO 0.80 0.57 -0.00 1.23 -0.87 0.00 0.00 176.83 178.56 3mdx h GLY 78 N 0.51 0.80 0.88 -0.77 0.00 -1.97 -1.48 103.07 101.04 3mdx h GLY 78 Ca 0.14 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.91 3mdx h GLY 78 CO -0.01 0.55 0.60 1.41 0.00 0.00 0.00 176.54 179.08 3mdx h LEU 79 N 0.57 1.00 -0.22 3.11 3.38 -1.87 0.13 115.31 121.41 3mdx h LEU 79 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3mdx h LEU 79 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mdx h LEU 79 CO 0.02 0.68 0.08 0.00 0.09 0.00 0.00 178.44 179.32 3mdx h ALA 80 N 1.38 0.28 0.29 1.53 0.00 -1.22 -0.99 119.26 120.54 3mdx h ALA 80 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3mdx h ALA 80 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mdx h ALA 80 CO -0.12 -0.11 -0.14 0.35 0.00 0.00 0.00 179.25 179.23 3mdx h PHE 81 N 0.19 -0.36 -0.44 0.00 3.57 -1.03 -0.92 116.94 117.95 3mdx h PHE 81 Ca 0.07 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3mdx h PHE 81 Cb 0.20 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3mdx h PHE 81 CO -0.00 -0.04 -0.28 0.87 -2.23 0.00 0.00 178.31 176.62 3mdx h LYS 82 N -0.70 0.95 0.00 1.11 1.79 -0.81 -3.37 116.57 115.55 3mdx h LYS 82 Ca -0.04 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3mdx h LYS 82 Cb 0.48 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3mdx h LYS 82 CO 0.07 1.10 -0.41 0.09 -1.08 0.00 0.00 179.45 179.22 3mdx n ASN 83 N -4.09 1.66 -0.48 0.86 4.13 -0.41 -5.01 115.26 111.92 3mdx n ASN 83 Ca -0.01 -0.35 -0.06 0.00 1.68 0.00 0.00 54.58 55.84 3mdx n ASN 83 Cb 0.49 1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 39.73 3mdx n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mdx n GLY 84 N 1.51 0.85 3.76 7.41 0.00 -0.35 -3.91 105.19 114.46 3mdx n GLY 84 Ca 0.00 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 3mdx n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mdx s ILE 85 N -2.23 4.92 0.35 -0.61 -1.09 -1.11 -0.35 121.20 121.08 3mdx s ILE 85 Ca 0.00 1.23 0.05 0.00 -2.23 0.00 0.00 60.65 59.70 3mdx s ILE 85 Cb 0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 3mdx s ILE 85 CO 0.00 0.42 0.35 0.28 -1.23 0.00 0.00 174.94 174.76 3mdx s THR 86 N -0.17 0.00 -0.30 2.92 -1.32 -0.73 -2.87 115.64 113.17 3mdx s THR 86 Ca 0.31 -1.87 -0.16 0.00 -1.21 0.00 0.00 61.69 58.75 3mdx s THR 86 Cb -0.18 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.22 3mdx s THR 86 CO 0.17 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 173.01 3mdx h LEU 88 N 8.78 0.62 -2.85 0.00 5.85 -1.42 -2.65 115.31 123.63 3mdx h LEU 88 Ca -0.30 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 3mdx h LEU 88 Cb 1.15 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 3mdx h LEU 88 CO 0.70 0.82 0.12 -0.46 -0.34 0.00 0.00 178.44 179.28 3mdx n ASN 89 N -4.13 3.92 -4.77 1.25 6.94 -1.26 -5.00 115.26 112.22 3mdx n ASN 89 Ca 0.00 -2.73 -0.39 0.00 -0.02 0.00 0.00 54.58 51.44 3mdx n ASN 89 Cb 0.40 -0.65 -0.00 0.00 -2.36 0.00 0.00 39.78 37.16 3mdx n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3mdx s THR 90 N -2.15 2.63 -0.05 5.53 -1.32 -1.00 -2.43 115.64 116.85 3mdx s THR 90 Ca 0.36 0.55 -0.30 0.00 -1.21 0.00 0.00 61.69 61.10 3mdx s THR 90 Cb 0.28 -3.32 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 3mdx s THR 90 CO 0.09 0.07 1.10 -2.16 -2.21 0.00 0.00 174.62 171.51 3mdx s PRO 91 N -2.30 4.42 0.04 7.08 0.04 -1.26 -5.08 135.00 137.93 3mdx s PRO 91 Ca 0.58 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 3mdx s PRO 91 Cb -0.37 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.59 3mdx s PRO 91 CO 0.48 -0.32 1.42 0.20 0.04 0.00 0.00 177.00 178.82 3mdx s GLY 92 N 1.22 1.86 -0.23 0.56 0.00 -0.30 -4.76 107.32 105.67 3mdx s GLY 92 Ca 0.53 0.98 -0.14 0.00 0.00 0.00 0.00 44.72 46.09 3mdx s GLY 92 CO 0.22 2.50 0.30 -1.59 0.00 0.00 0.00 173.10 174.54 3mdx s THR 93 N 2.06 5.25 -0.19 0.90 2.01 -1.26 -0.80 115.64 123.61 3mdx s THR 93 Ca 0.65 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 3mdx s THR 93 Cb -0.34 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3mdx s THR 93 CO 0.28 0.26 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.71 3mdx s ILE 94 N 1.43 2.62 0.50 1.82 1.01 0.13 -5.01 121.20 123.70 3mdx s ILE 94 Ca 0.14 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.12 3mdx s ILE 94 Cb -0.15 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3mdx s ILE 94 CO 0.07 0.49 0.68 1.51 0.00 0.00 0.00 174.94 177.70 3mdx s ASP 95 N 1.33 5.36 0.05 3.58 1.47 -1.26 -1.15 116.67 126.04 3mdx s ASP 95 Ca 0.04 -0.65 0.19 0.00 1.18 0.00 0.00 52.55 53.32 3mdx s ASP 95 Cb -0.14 -0.16 0.81 0.00 -0.34 0.00 0.00 42.92 43.09 3mdx s ASP 95 CO -0.08 -1.06 1.61 -1.54 0.68 0.00 0.00 175.17 174.78 3mdx n SER 96 N -2.05 0.14 0.17 2.11 3.41 -1.26 -2.13 113.62 114.02 3mdx n SER 96 Ca 0.12 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3mdx n SER 96 Cb 0.60 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 64.09 3mdx n SER 96 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3mdx h ASP 97 N 0.00 0.00 -2.96 4.04 3.32 -1.94 -3.42 116.42 115.45 3mdx h ASP 97 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3mdx h ASP 97 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3mdx h ASP 97 CO 0.00 0.01 0.96 -0.47 -1.72 0.00 0.00 179.24 178.02 3mdx s TYR 98 N -3.27 2.66 -0.09 4.55 5.04 -0.91 -4.87 117.35 120.47 3mdx s TYR 98 Ca 0.04 0.86 0.13 0.00 -2.44 0.00 0.00 57.07 55.66 3mdx s TYR 98 Cb 0.07 -3.73 0.20 0.00 0.35 0.00 0.00 41.96 38.85 3mdx s TYR 98 CO 0.72 -1.95 1.09 0.54 -1.34 0.00 0.00 175.55 174.61 3mdx n ARG 99 N 7.01 1.55 -1.81 4.97 5.12 -1.26 -4.66 116.66 127.57 3mdx n ARG 99 Ca 0.15 -2.19 -0.29 0.00 -1.93 0.00 0.00 57.85 53.59 3mdx n ARG 99 Cb 0.45 -1.30 0.09 0.00 -1.16 0.00 0.00 32.46 30.55 3mdx n ARG 99 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3mdx s GLY 100 N -2.27 1.59 0.26 -0.13 0.00 -1.26 -4.91 107.32 100.60 3mdx s GLY 100 Ca 0.22 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 3mdx s GLY 100 CO 0.02 -0.09 1.48 1.85 0.00 0.00 0.00 173.10 176.37 3mdx s GLU 101 N -5.48 4.23 -0.14 2.90 2.12 -1.26 -4.41 118.70 116.66 3mdx s GLU 101 Ca 0.62 2.38 -0.29 0.00 0.36 0.00 0.00 54.97 58.04 3mdx s GLU 101 Cb -0.12 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3mdx s GLU 101 CO 0.50 -0.48 1.21 0.08 -0.54 0.00 0.00 175.26 176.04 3mdx s VAL 102 N -0.02 4.33 0.04 3.70 1.01 0.21 -5.00 120.40 124.67 3mdx s VAL 102 Ca 0.60 1.62 0.08 0.00 0.00 0.00 0.00 61.98 64.28 3mdx s VAL 102 Cb -0.44 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3mdx s VAL 102 CO 0.45 -0.09 -0.22 -0.54 0.00 0.00 0.00 175.10 174.70 3mdx s LYS 103 N 3.02 1.46 -0.20 2.72 1.02 -1.26 -2.11 119.74 124.39 3mdx s LYS 103 Ca 0.54 -0.97 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 3mdx s LYS 103 Cb -0.22 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3mdx s LYS 103 CO 0.16 0.41 0.04 0.08 -0.92 0.00 0.00 175.35 175.11 3mdx s VAL 104 N -0.80 4.32 -0.81 3.17 1.01 -0.22 -4.87 120.40 122.20 3mdx s VAL 104 Ca 0.08 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3mdx s VAL 104 Cb -0.09 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.44 3mdx s VAL 104 CO 0.02 0.42 1.01 -0.22 0.00 0.00 0.00 175.10 176.33 3mdx s LEU 105 N 0.90 5.05 0.21 3.92 2.96 -1.26 -0.23 118.68 130.23 3mdx s LEU 105 Ca 0.02 -1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 51.97 3mdx s LEU 105 Cb -0.14 -2.38 -0.08 0.00 0.50 0.00 0.00 46.19 44.09 3mdx s LEU 105 CO 0.02 -1.13 0.75 -0.76 -1.32 0.00 0.00 176.35 173.91 3mdx s LEU 106 N 2.85 4.40 -0.02 -0.68 1.43 -0.51 -1.07 118.68 125.09 3mdx s LEU 106 Ca 0.26 1.50 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 3mdx s LEU 106 Cb -0.11 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 3mdx s LEU 106 CO -0.03 0.07 -0.16 -0.51 0.23 0.00 0.00 176.35 175.95 3mdx s ILE 107 N -1.43 1.31 -0.48 -0.59 2.07 -0.23 -1.29 121.20 120.55 3mdx s ILE 107 Ca 0.41 -0.70 -0.18 0.00 -1.41 0.00 0.00 60.65 58.77 3mdx s ILE 107 Cb -0.18 -1.09 0.06 0.00 0.13 0.00 0.00 42.46 41.37 3mdx s ILE 107 CO 0.22 0.37 0.54 0.21 -1.91 0.00 0.00 174.94 174.38 3mdx s ASN 108 N -0.34 6.20 -0.20 4.50 3.84 -0.45 -1.78 114.94 126.71 3mdx s ASN 108 Ca 0.05 -0.96 0.16 0.00 0.21 0.00 0.00 52.86 52.32 3mdx s ASN 108 Cb -0.07 -2.26 0.66 0.00 -0.55 0.00 0.00 41.25 39.04 3mdx s ASN 108 CO -0.00 -0.78 1.57 0.18 -2.79 0.00 0.00 177.10 175.27 3mdx n LEU 109 N 5.86 4.73 0.00 3.21 4.77 0.53 0.11 117.00 136.20 3mdx n LEU 109 Ca -0.08 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 3mdx n LEU 109 Cb 0.45 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3mdx n LEU 109 CO 0.51 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3mdx n GLY 110 N 0.03 3.29 0.41 -0.72 0.00 -1.20 -4.87 105.19 102.13 3mdx n GLY 110 Ca 0.24 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 44.22 3mdx n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mdx n ASP 111 N -1.48 1.75 -4.93 1.61 8.00 -1.26 -4.50 116.55 115.74 3mdx n ASP 111 Ca 0.00 -1.37 -0.28 0.00 0.71 0.00 0.00 54.79 53.85 3mdx n ASP 111 Cb 0.00 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3mdx n ASP 111 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3mdx s ASP 112 N -1.82 6.38 0.30 -2.24 1.01 -1.26 -4.86 116.67 114.19 3mdx s ASP 112 Ca 0.14 0.37 -0.29 0.00 0.71 0.00 0.00 52.55 53.48 3mdx s ASP 112 Cb 0.13 -2.00 -0.09 0.00 1.01 0.00 0.00 42.92 41.97 3mdx s ASP 112 CO 0.37 -0.01 1.10 -1.81 0.21 0.00 0.00 175.17 175.04 3mdx s ASP 113 N -3.08 7.17 -0.09 0.27 1.01 -1.26 -4.14 116.67 116.54 3mdx s ASP 113 Ca 0.38 2.26 0.01 0.00 0.71 0.00 0.00 52.55 55.91 3mdx s ASP 113 Cb -0.11 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 3mdx s ASP 113 CO 0.29 -0.21 -0.13 0.12 0.21 0.00 0.00 175.17 175.44 3mdx s PHE 114 N -1.23 2.78 -0.24 4.23 5.36 -0.34 -4.97 117.98 123.58 3mdx s PHE 114 Ca 0.47 -0.38 -0.09 0.00 -0.96 0.00 0.00 56.93 55.97 3mdx s PHE 114 Cb -0.31 -1.75 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3mdx s PHE 114 CO 0.40 0.00 0.12 1.03 -1.46 0.00 0.00 175.22 175.31 3mdx s ARG 115 N -0.18 3.92 -0.22 10.12 1.81 -1.26 -0.20 118.95 132.94 3mdx s ARG 115 Ca 0.00 -0.35 -0.10 0.00 -1.72 0.00 0.00 55.73 53.56 3mdx s ARG 115 Cb -0.13 -3.43 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 3mdx s ARG 115 CO 0.03 -0.00 0.14 0.42 -0.68 0.00 0.00 175.30 175.21 3mdx s ILE 116 N 1.18 5.37 0.12 1.52 1.01 0.74 -4.93 121.20 126.22 3mdx s ILE 116 Ca 0.06 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3mdx s ILE 116 Cb -0.14 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3mdx s ILE 116 CO 0.05 0.40 -0.17 -1.61 0.00 0.00 0.00 174.94 173.61 3mdx s GLU 117 N 0.65 1.09 0.21 2.79 2.02 -1.26 -1.14 118.70 123.06 3mdx s GLU 117 Ca 0.08 -1.23 -0.32 0.00 0.02 0.00 0.00 54.97 53.51 3mdx s GLU 117 Cb -0.12 -1.13 -0.13 0.00 0.10 0.00 0.00 34.13 32.85 3mdx s GLU 117 CO 0.01 0.24 1.52 -2.13 0.02 0.00 0.00 175.26 174.91 3mdx n ARG 118 N 0.69 2.19 0.00 1.61 0.63 -1.26 -2.19 116.66 118.32 3mdx n ARG 118 Ca -0.16 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3mdx n ARG 118 Cb 0.56 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.96 3mdx n ARG 118 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mdx n GLY 119 N 2.80 1.79 3.76 5.14 0.00 0.41 -4.96 105.19 114.13 3mdx n GLY 119 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3mdx n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mdx s MET 120 N -0.51 4.18 -0.12 1.61 0.00 -0.93 -4.55 119.30 118.99 3mdx s MET 120 Ca 0.00 2.47 -0.30 0.00 0.00 0.00 0.00 55.69 57.86 3mdx s MET 120 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 34.83 31.77 3mdx s MET 120 CO 0.00 -0.51 1.20 1.03 0.00 0.00 0.00 175.02 176.74 3mdx s ARG 121 N -0.95 4.30 -0.00 4.11 0.52 -1.26 -0.92 118.95 124.74 3mdx s ARG 121 Ca 0.58 1.63 0.01 0.00 -0.52 0.00 0.00 55.73 57.43 3mdx s ARG 121 Cb -0.45 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.35 3mdx s ARG 121 CO 0.51 -0.57 0.05 0.44 0.02 0.00 0.00 175.30 175.75 3mdx n ILE 122 N 4.99 0.00 -3.78 1.52 -5.35 0.18 -4.96 119.36 111.96 3mdx n ILE 122 Ca 0.12 -0.37 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 3mdx n ILE 122 Cb 0.46 0.88 -0.00 0.00 -1.74 0.00 0.00 39.64 39.24 3mdx n ILE 122 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mdx s ALA 123 N -1.33 -1.83 -0.01 -1.28 0.00 -1.23 -4.53 121.76 111.56 3mdx s ALA 123 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.12 3mdx s ALA 123 Cb 0.01 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 3mdx s ALA 123 CO 0.05 -1.06 -0.16 1.14 0.00 0.00 0.00 175.76 175.73 3mdx s GLN 124 N -2.67 1.26 -0.16 0.00 -2.07 0.03 -0.97 119.66 115.08 3mdx s GLN 124 Ca 0.17 -0.60 -0.06 0.00 -1.82 0.00 0.00 55.36 53.05 3mdx s GLN 124 Cb -0.00 -1.23 -0.04 0.00 -1.09 0.00 0.00 33.01 30.65 3mdx s GLN 124 CO 0.02 0.33 0.04 0.00 -1.32 0.00 0.00 175.29 174.36 3mdx s ALA 125 N -0.43 3.34 -0.11 2.60 0.00 0.35 -0.47 121.76 127.04 3mdx s ALA 125 Ca 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3mdx s ALA 125 Cb -0.06 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 3mdx s ALA 125 CO -0.00 0.27 -0.22 0.08 0.00 0.00 0.00 175.76 175.89 3mdx s VAL 126 N 0.10 2.18 -0.18 0.00 1.01 -0.10 -0.75 120.40 122.66 3mdx s VAL 126 Ca 0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 3mdx s VAL 126 Cb -0.12 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3mdx s VAL 126 CO 0.01 0.55 0.12 0.12 0.00 0.00 0.00 175.10 175.90 3mdx s PHE 127 N 0.40 3.41 0.01 5.22 2.19 -1.26 -0.32 117.98 127.64 3mdx s PHE 127 Ca -0.17 0.32 -0.10 0.00 0.33 0.00 0.00 56.93 57.32 3mdx s PHE 127 Cb -0.17 -2.10 0.01 0.00 -1.31 0.00 0.00 43.02 39.44 3mdx s PHE 127 CO 0.07 0.35 0.20 0.00 1.83 0.00 0.00 175.22 177.68 3mdx s ALA 128 N 0.09 -0.46 0.72 11.12 0.00 -0.51 -5.00 121.76 127.72 3mdx s ALA 128 Ca 0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 3mdx s ALA 128 Cb -0.11 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3mdx s ALA 128 CO -0.01 -0.27 1.19 -1.25 0.00 0.00 0.00 175.76 175.42 3mdx s PRO 129 N -1.76 2.26 0.00 0.00 0.04 -1.26 -0.40 135.00 133.88 3mdx s PRO 129 Ca -0.11 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.66 3mdx s PRO 129 Cb -0.05 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3mdx s PRO 129 CO 0.00 -1.73 -0.11 0.54 0.04 0.00 0.00 177.00 175.74 3mdx s VAL 130 N -2.04 0.89 0.11 -0.36 0.11 0.38 -4.67 120.40 114.82 3mdx s VAL 130 Ca 0.73 -0.60 0.10 0.00 -2.93 0.00 0.00 61.98 59.29 3mdx s VAL 130 Cb -0.28 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 3mdx s VAL 130 CO 0.44 0.16 -0.26 0.27 -3.33 0.00 0.00 175.10 172.39 3mdx s ILE 131 N -0.43 2.15 -0.35 7.04 -4.36 -1.26 -4.57 121.20 119.43 3mdx s ILE 131 Ca 0.03 -1.67 -0.03 0.00 -0.26 0.00 0.00 60.65 58.71 3mdx s ILE 131 Cb -0.05 -1.90 0.07 0.00 1.25 0.00 0.00 42.46 41.83 3mdx s ILE 131 CO -0.00 0.10 0.10 -1.10 0.24 0.00 0.00 174.94 174.29 3mdx s GLN 132 N -1.93 2.28 0.73 0.37 -0.21 -1.26 -5.10 119.66 114.54 3mdx s GLN 132 Ca 0.12 -1.48 -0.13 0.00 0.02 0.00 0.00 55.36 53.89 3mdx s GLN 132 Cb -0.10 -3.40 0.04 0.00 1.00 0.00 0.00 33.01 30.55 3mdx s GLN 132 CO 0.05 -0.82 1.11 -1.25 -2.12 0.00 0.00 175.29 172.27 3mdx s PRO 133 N 1.23 2.38 0.29 2.91 0.04 -1.26 -5.00 135.00 135.60 3mdx s PRO 133 Ca 0.01 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3mdx s PRO 133 Cb -0.21 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3mdx s PRO 133 CO -0.02 -1.57 1.47 0.21 0.04 0.00 0.00 177.00 177.14 3mdx s LYS 134 N -4.44 4.21 -0.25 4.56 2.20 -1.26 -5.01 119.74 119.76 3mdx s LYS 134 Ca 0.65 2.41 -0.08 0.00 -0.36 0.00 0.00 55.97 58.59 3mdx s LYS 134 Cb -0.20 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3mdx s LYS 134 CO 0.49 -0.47 0.09 0.42 -0.36 0.00 0.00 175.35 175.52 3mdx s ILE 135 N -0.30 4.51 -0.17 5.43 1.01 -1.26 -5.07 121.20 125.34 3mdx s ILE 135 Ca 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3mdx s ILE 135 Cb -0.44 -3.11 0.04 0.00 0.01 0.00 0.00 42.46 38.96 3mdx s ILE 135 CO 0.49 0.33 -0.08 -0.70 0.00 0.00 0.00 174.94 174.98 3mdx s GLU 136 N 1.58 1.70 0.28 2.79 2.12 -1.26 -5.11 118.70 120.80 3mdx s GLU 136 Ca 0.06 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 3mdx s GLU 136 Cb -0.15 -2.15 -0.10 0.00 0.26 0.00 0.00 34.13 32.00 3mdx s GLU 136 CO 0.05 -0.41 1.18 -2.00 -0.54 0.00 0.00 175.26 173.53 3mdx s GLU 137 N 1.54 4.53 0.12 4.30 2.12 -1.26 -5.03 118.70 125.02 3mdx s GLU 137 Ca 0.00 1.95 0.03 0.00 0.36 0.00 0.00 54.97 57.31 3mdx s GLU 137 Cb -0.15 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3mdx s GLU 137 CO -0.08 0.05 -0.08 1.03 -0.54 0.00 0.00 175.26 175.63 3mdx s ARG 138 N -1.40 0.92 -0.16 4.30 0.52 -1.26 -5.14 118.95 116.73 3mdx s ARG 138 Ca 0.47 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 3mdx s ARG 138 Cb -0.35 -0.41 -0.01 0.00 0.52 0.00 0.00 34.95 34.70 3mdx s ARG 138 CO 0.44 0.03 -0.10 0.00 0.02 0.00 0.00 175.30 175.70 3mdx s ALA 139 N -3.33 2.72 0.00 2.13 0.00 -1.26 -5.36 121.76 116.67 3mdx s ALA 139 Ca 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3mdx s ALA 139 Cb 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3mdx s ALA 139 CO -0.02 0.06 0.00 1.63 0.00 0.00 0.00 175.76 177.43 3mdx n LYS 140 N 3.87 0.00 -0.07 0.00 5.02 -1.26 -5.36 118.16 120.36 3mdx n LYS 140 Ca -0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.05 3mdx n LYS 140 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 3mdx n LYS 140 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3mdx h ARG 146 N 0.00 0.00 0.00 1.97 1.12 -2.09 -3.56 114.38 111.81 3mdx h ARG 146 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3mdx h ARG 146 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3mdx h ARG 146 CO 0.00 0.18 0.00 0.41 -3.11 0.00 0.00 179.97 177.45 3mdx n GLY 147 N 1.65 -0.96 3.75 2.80 0.00 -1.26 -4.93 105.19 106.23 3mdx n GLY 147 Ca -0.08 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3mdx n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mdx s ALA 148 N -3.21 3.38 0.00 4.61 0.00 -1.26 -4.50 121.76 120.78 3mdx s ALA 148 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3mdx s ALA 148 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3mdx s ALA 148 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3mdx n GLY 149 N 1.74 0.62 2.93 0.00 0.00 -1.26 -5.15 105.19 104.07 3mdx n GLY 149 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3mdx n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdx n GLY 150 N 0.00 1.11 0.00 -0.02 0.00 -1.26 -5.33 105.19 99.68 3mdx n GLY 150 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3mdx n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01