#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdk s VAL 2 N 0.00 5.22 -0.23 2.03 1.01 -1.26 -0.10 120.40 127.07 1mdk s VAL 2 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1mdk s VAL 2 Cb 0.00 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1mdk s VAL 2 CO 0.00 -0.17 0.47 -0.75 0.00 0.00 0.00 175.10 174.66 1mdk s LYS 3 N -3.32 0.40 -0.02 2.72 2.20 -0.18 -4.92 119.74 116.62 1mdk s LYS 3 Ca 0.38 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 1mdk s LYS 3 Cb -0.11 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 1mdk s LYS 3 CO 0.29 -0.32 0.57 -1.14 -0.36 0.00 0.00 175.35 174.39 1mdk s GLN 4 N 2.68 4.29 -0.24 4.03 0.74 -1.26 -1.30 119.66 128.60 1mdk s GLN 4 Ca 0.01 0.68 -0.08 0.00 0.05 0.00 0.00 55.36 56.02 1mdk s GLN 4 Cb -0.13 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 1mdk s GLN 4 CO -0.15 0.36 0.08 0.42 -0.55 0.00 0.00 175.29 175.45 1mdk s ILE 5 N -0.14 4.49 -0.30 -2.34 -1.09 -0.88 -4.92 121.20 116.02 1mdk s ILE 5 Ca 0.30 -0.11 0.20 0.00 -2.23 0.00 0.00 60.65 58.80 1mdk s ILE 5 Cb -0.18 -3.10 -0.28 0.00 -1.58 0.00 0.00 42.46 37.33 1mdk s ILE 5 CO 0.16 0.34 0.55 -0.62 -1.23 0.00 0.00 174.94 174.14 1mdk n GLU 6 N 4.77 0.63 -3.66 2.79 4.71 -1.26 -4.46 120.64 124.15 1mdk n GLU 6 Ca -0.16 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.16 56.74 1mdk n GLU 6 Cb 0.52 -1.45 -0.06 0.00 -1.01 0.00 0.00 31.44 29.44 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1mdk s SER 7 N -3.81 -0.27 0.64 1.62 1.04 -1.26 -4.75 113.70 106.91 1mdk s SER 7 Ca -0.03 -0.06 0.26 0.00 0.48 0.00 0.00 55.95 56.60 1mdk s SER 7 Cb 0.13 0.43 1.35 0.00 0.10 0.00 0.00 66.02 68.03 1mdk s SER 7 CO 0.81 -0.69 1.77 0.50 0.98 0.00 0.00 173.24 176.60 1mdk h LYS 8 N 2.91 0.00 -0.23 4.02 3.64 -1.92 0.12 116.57 125.11 1mdk h LYS 8 Ca -0.32 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1mdk h LYS 8 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1mdk h LYS 8 CO 0.44 0.00 0.13 1.15 -2.27 0.00 0.00 179.45 178.90 1mdk h THR 9 N 0.00 1.11 0.00 1.00 2.02 -2.01 -2.09 112.91 112.95 1mdk h THR 9 Ca 0.08 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1mdk h THR 9 Cb 1.08 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1mdk h THR 9 CO -0.00 0.11 -0.16 0.00 0.37 0.00 0.00 175.52 175.84 1mdk h ALA 10 N 1.01 1.03 0.40 6.16 0.00 -1.17 -3.09 119.26 123.62 1mdk h ALA 10 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1mdk h ALA 10 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1mdk h ALA 10 CO -0.01 0.20 -0.21 0.35 0.00 0.00 0.00 179.25 179.58 1mdk h PHE 11 N 0.00 -0.55 -0.61 0.00 3.57 -1.17 0.25 116.94 118.43 1mdk h PHE 11 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1mdk h PHE 11 Cb 0.67 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1mdk h PHE 11 CO 0.00 -0.33 0.28 1.96 -2.23 0.00 0.00 178.31 177.99 1mdk h GLN 12 N -0.56 0.50 -0.70 1.11 1.08 -1.61 -0.16 115.11 114.77 1mdk h GLN 12 Ca -0.06 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1mdk h GLN 12 Cb 0.44 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1mdk h GLN 12 CO 0.08 0.33 0.46 0.93 -0.95 0.00 0.00 178.83 179.68 1mdk h GLU 13 N 0.51 0.74 -0.41 1.46 5.08 -1.45 -1.09 114.58 119.43 1mdk h GLU 13 Ca 0.30 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1mdk h GLU 13 Cb 0.29 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1mdk h GLU 13 CO -0.24 0.49 0.27 0.00 -1.00 0.00 0.00 179.01 178.52 1mdk h ALA 14 N 1.61 0.52 -0.31 3.43 0.00 0.14 0.15 119.26 124.81 1mdk h ALA 14 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1mdk h ALA 14 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mdk h ALA 14 CO -0.09 -0.04 0.05 -0.07 0.00 0.00 0.00 179.25 179.10 1mdk h LEU 15 N 0.54 0.49 -0.75 0.00 3.38 -1.00 0.12 115.31 118.10 1mdk h LEU 15 Ca 0.15 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1mdk h LEU 15 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1mdk h LEU 15 CO -0.04 0.63 0.29 -0.78 0.09 0.00 0.00 178.44 178.63 1mdk h ASP 16 N 0.34 1.05 1.43 -0.43 3.58 -0.93 -1.90 116.42 119.56 1mdk h ASP 16 Ca 0.09 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1mdk h ASP 16 Cb 0.35 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1mdk h ASP 16 CO 0.01 0.94 0.00 0.00 -2.88 0.00 0.00 179.24 177.31 1mdk h ALA 17 N 1.15 1.00 0.00 -0.78 0.00 -0.56 -3.05 119.26 117.02 1mdk h ALA 17 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1mdk h ALA 17 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1mdk h ALA 17 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1mdk n ALA 18 N -1.82 1.71 -0.60 0.00 0.00 0.41 -4.92 120.51 115.29 1mdk n ALA 18 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.41 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1mdk n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdk n GLY 19 N -0.14 1.57 0.00 0.00 0.00 -1.15 -2.96 105.19 102.50 1mdk n GLY 19 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1mdk n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdk n ASP 20 N 11.07 0.09 -4.49 1.61 8.00 -1.26 -4.44 116.55 127.12 1mdk n ASP 20 Ca 0.00 -1.02 -0.29 0.00 0.71 0.00 0.00 54.79 54.19 1mdk n ASP 20 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mdk s LYS 21 N -0.02 0.01 0.86 -1.24 1.02 -1.16 -4.73 119.74 114.48 1mdk s LYS 21 Ca 0.00 0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.23 1mdk s LYS 21 Cb 0.00 -1.70 0.11 0.00 -0.52 0.00 0.00 37.83 35.72 1mdk s LYS 21 CO 0.00 -2.98 1.12 -1.17 -0.92 0.00 0.00 175.35 171.40 1mdk s LEU 22 N -6.57 2.84 -0.24 3.17 0.20 -1.26 -4.66 118.68 112.16 1mdk s LEU 22 Ca 0.67 1.98 -0.03 0.00 0.69 0.00 0.00 54.13 57.43 1mdk s LEU 22 Cb -0.16 -4.48 0.10 0.00 -0.43 0.00 0.00 46.19 41.21 1mdk s LEU 22 CO 0.57 -2.64 0.19 -0.69 -0.29 0.00 0.00 176.35 173.49 1mdk s VAL 23 N -2.77 -0.23 -0.21 1.68 1.01 -0.93 -1.97 120.40 116.98 1mdk s VAL 23 Ca 0.64 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1mdk s VAL 23 Cb -0.20 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1mdk s VAL 23 CO 0.57 -0.43 0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1mdk s VAL 24 N 2.24 5.02 -0.12 2.92 1.01 -0.74 -0.92 120.40 129.81 1mdk s VAL 24 Ca 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1mdk s VAL 24 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1mdk s VAL 24 CO -0.24 0.42 0.01 -0.69 0.00 0.00 0.00 175.10 174.59 1mdk s VAL 25 N 0.64 4.33 -0.45 2.92 1.01 0.03 -1.32 120.40 127.56 1mdk s VAL 25 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1mdk s VAL 25 Cb -0.13 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.49 1mdk s VAL 25 CO 0.01 0.55 0.30 -0.62 0.00 0.00 0.00 175.10 175.34 1mdk s ASP 26 N -0.33 5.62 -1.18 3.32 2.15 -1.09 -2.47 116.67 122.69 1mdk s ASP 26 Ca 0.07 -1.81 -0.17 0.00 0.43 0.00 0.00 52.55 51.07 1mdk s ASP 26 Cb -0.12 -1.98 0.11 0.00 -0.30 0.00 0.00 42.92 40.63 1mdk s ASP 26 CO 0.02 -0.63 1.51 -0.36 -0.17 0.00 0.00 175.17 175.54 1mdk s PHE 27 N 1.35 3.06 0.09 -5.34 0.40 -1.11 -2.64 117.98 113.79 1mdk s PHE 27 Ca 0.05 -1.69 0.07 0.00 -0.60 0.00 0.00 56.93 54.76 1mdk s PHE 27 Cb -0.25 -4.53 -0.04 0.00 0.51 0.00 0.00 43.02 38.72 1mdk s PHE 27 CO -0.00 -1.63 -0.11 -1.12 0.70 0.00 0.00 175.22 173.05 1mdk s SER 28 N 3.73 4.31 -0.15 1.36 0.01 -1.19 -2.99 113.70 118.77 1mdk s SER 28 Ca 0.46 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.14 1mdk s SER 28 Cb -0.00 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1mdk s SER 28 CO 0.01 0.19 0.53 0.00 0.41 0.00 0.00 173.24 174.38 1mdk s ALA 29 N -1.17 3.49 0.38 1.44 0.00 -1.26 -4.03 121.76 120.61 1mdk s ALA 29 Ca 0.20 -0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.09 1mdk s ALA 29 Cb -0.11 -2.77 0.93 0.00 0.00 0.00 0.00 23.12 21.17 1mdk s ALA 29 CO 0.12 -0.22 1.90 0.00 0.00 0.00 0.00 175.76 177.56 1mdk h THR 30 N 4.91 1.05 0.00 0.00 1.03 -1.98 -2.44 112.91 115.48 1mdk h THR 30 Ca -0.37 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 1mdk h THR 30 Cb 1.17 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 1mdk h THR 30 CO 0.75 0.27 -0.39 -2.67 -0.01 0.00 0.00 175.52 173.48 1mdk n TRP 31 N -3.98 0.03 -3.63 0.00 4.27 -1.26 -4.83 117.44 108.04 1mdk n TRP 31 Ca -0.02 0.01 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 1mdk n TRP 31 Cb 0.35 -0.33 -0.06 0.00 -1.36 0.00 0.00 31.31 29.90 1mdk n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mdk h GLY 33 N 5.58 -0.11 -0.40 0.00 0.00 -1.88 -3.05 103.07 103.21 1mdk h GLY 33 Ca -0.48 0.04 0.30 0.00 0.00 0.00 0.00 47.33 47.19 1mdk h GLY 33 CO 0.66 -0.04 0.62 -2.55 0.00 0.00 0.00 176.54 175.23 1mdk h PRO 34 N -0.99 0.38 0.09 4.80 0.11 -1.95 0.98 132.00 135.42 1mdk h PRO 34 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1mdk h PRO 34 Cb 0.36 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1mdk h PRO 34 CO 0.02 0.25 -0.04 0.00 -0.21 0.00 0.00 178.00 178.02 1mdk h ALA 35 N 1.76 -0.12 0.00 -0.75 0.00 -1.88 -3.15 119.26 115.13 1mdk h ALA 35 Ca 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1mdk h ALA 35 Cb 1.59 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1mdk h ALA 35 CO -0.50 -0.18 0.01 -0.22 0.00 0.00 0.00 179.25 178.36 1mdk h LYS 36 N -0.90 0.00 0.00 0.00 3.64 -1.14 -1.81 116.57 116.37 1mdk h LYS 36 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mdk h LYS 36 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1mdk h LYS 36 CO 0.02 0.00 0.03 1.98 -2.27 0.00 0.00 179.45 179.21 1mdk h MET 37 N 0.00 0.00 -0.64 1.90 4.05 0.10 -1.07 114.93 119.26 1mdk h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1mdk h MET 37 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1mdk h MET 37 CO 0.00 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.25 1mdk n ILE 38 N -2.93 1.32 0.08 1.77 5.41 -0.68 -4.41 119.36 119.92 1mdk n ILE 38 Ca -0.03 -0.97 -0.02 0.00 1.00 0.00 0.00 62.75 62.74 1mdk n ILE 38 Cb 0.09 0.21 0.23 0.00 -0.71 0.00 0.00 39.64 39.47 1mdk n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1mdk h LYS 39 N 3.68 0.30 0.00 0.38 2.10 -1.39 -2.64 116.57 119.01 1mdk h LYS 39 Ca 0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1mdk h LYS 39 Cb 1.14 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1mdk h LYS 39 CO 0.13 0.61 0.00 -2.30 -2.00 0.00 0.00 179.45 175.89 1mdk n PRO 40 N -4.08 0.32 0.00 0.07 -0.02 -1.26 -2.69 135.00 127.34 1mdk n PRO 40 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1mdk n PRO 40 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1mdk n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mdk n PHE 41 N -1.00 0.00 -0.31 6.00 3.01 -1.02 -4.25 117.46 119.89 1mdk n PHE 41 Ca 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.53 1mdk n PHE 41 Cb 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1mdk n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1mdk h PHE 42 N 0.00 -0.81 -0.13 1.38 3.57 -1.62 0.77 116.94 120.09 1mdk h PHE 42 Ca 0.00 0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1mdk h PHE 42 Cb 0.00 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1mdk h PHE 42 CO 0.00 -0.39 -0.35 1.25 -2.23 0.00 0.00 178.31 176.59 1mdk h HIS 43 N -0.04 0.30 -0.50 0.41 2.76 -1.74 -3.02 115.15 113.31 1mdk h HIS 43 Ca 0.34 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1mdk h HIS 43 Cb 0.60 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1mdk h HIS 43 CO -0.74 0.59 0.24 0.66 -1.30 0.00 0.00 177.93 177.38 1mdk h SER 44 N 0.23 0.66 0.00 3.26 4.64 0.36 -0.92 113.55 121.78 1mdk h SER 44 Ca 0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1mdk h SER 44 Cb 0.74 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1mdk h SER 44 CO 0.06 0.60 0.34 -0.07 -0.87 0.00 0.00 176.83 176.89 1mdk h LEU 45 N 0.67 0.00 -1.16 5.97 3.38 -0.89 0.53 115.31 123.81 1mdk h LEU 45 Ca 0.17 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1mdk h LEU 45 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1mdk h LEU 45 CO -0.02 0.00 0.58 0.28 0.09 0.00 0.00 178.44 179.37 1mdk h SER 46 N 0.00 0.88 0.42 -0.43 0.02 -1.27 0.24 113.55 113.41 1mdk h SER 46 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1mdk h SER 46 Cb 0.69 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1mdk h SER 46 CO 0.00 0.56 -1.25 -0.62 -1.14 0.00 0.00 176.83 174.38 1mdk n GLU 47 N -4.50 0.43 0.12 3.45 -0.58 0.17 -3.92 120.64 115.80 1mdk n GLU 47 Ca 0.14 -0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1mdk n GLU 47 Cb 0.22 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.49 1mdk n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1mdk h LYS 48 N 0.00 0.00 -2.21 3.49 3.64 -1.33 -3.39 116.57 116.77 1mdk h LYS 48 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1mdk h LYS 48 Cb 0.84 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.26 1mdk h LYS 48 CO 0.00 0.00 -0.94 0.66 -2.27 0.00 0.00 179.45 176.90 1mdk n TYR 49 N -2.70 0.54 0.56 1.91 4.01 0.77 -4.91 117.16 117.33 1mdk n TYR 49 Ca 0.01 -3.67 0.06 0.00 -0.16 0.00 0.00 57.90 54.13 1mdk n TYR 49 Cb 0.54 -0.27 0.29 0.00 -0.31 0.00 0.00 39.34 39.60 1mdk n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1mdk n SER 50 N 1.68 0.00 -1.06 7.72 3.41 -1.25 -1.51 113.62 122.60 1mdk n SER 50 Ca 0.25 0.07 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 1mdk n SER 50 Cb 0.48 -0.25 0.27 0.00 -0.26 0.00 0.00 64.21 64.44 1mdk n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mdk n ASN 51 N -1.25 3.11 -4.27 4.04 5.15 -1.26 -4.59 115.26 116.19 1mdk n ASN 51 Ca 0.06 -1.97 -0.24 0.00 -0.60 0.00 0.00 54.58 51.83 1mdk n ASN 51 Cb 0.08 -0.34 -0.13 0.00 -0.53 0.00 0.00 39.78 38.87 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdk s VAL 52 N -1.32 1.69 -0.20 3.44 1.01 -0.57 -4.53 120.40 119.91 1mdk s VAL 52 Ca 0.39 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1mdk s VAL 52 Cb 0.21 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1mdk s VAL 52 CO 0.28 0.02 0.13 -0.63 0.00 0.00 0.00 175.10 174.90 1mdk s ILE 53 N -1.05 5.37 -0.11 2.22 -1.09 -0.83 -1.81 121.20 123.90 1mdk s ILE 53 Ca 0.07 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1mdk s ILE 53 Cb -0.10 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1mdk s ILE 53 CO 0.03 0.44 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.64 1mdk s PHE 54 N 0.40 2.69 0.43 3.97 0.08 0.85 -1.79 117.98 124.61 1mdk s PHE 54 Ca 0.08 -0.81 0.07 0.00 0.12 0.00 0.00 56.93 56.38 1mdk s PHE 54 Cb -0.11 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1mdk s PHE 54 CO -0.02 -0.29 0.19 -0.51 -0.10 0.00 0.00 175.22 174.49 1mdk s LEU 55 N 0.31 3.02 -0.00 -0.37 1.02 -0.44 -1.01 118.68 121.21 1mdk s LEU 55 Ca -0.14 -1.14 -0.05 0.00 0.02 0.00 0.00 54.13 52.82 1mdk s LEU 55 Cb -0.17 -1.36 -0.00 0.00 0.02 0.00 0.00 46.19 44.69 1mdk s LEU 55 CO 0.07 -0.62 0.10 -0.70 0.02 0.00 0.00 176.35 175.22 1mdk s GLU 56 N -3.94 0.37 -0.03 1.70 2.12 -0.42 -2.68 118.70 115.83 1mdk s GLU 56 Ca 0.38 -0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.33 1mdk s GLU 56 Cb 0.03 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1mdk s GLU 56 CO 0.21 -0.08 0.14 0.08 -0.54 0.00 0.00 175.26 175.07 1mdk s VAL 57 N -1.09 0.04 -0.52 3.70 1.01 -1.08 -2.07 120.40 120.40 1mdk s VAL 57 Ca -0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1mdk s VAL 57 Cb -0.07 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.09 1mdk s VAL 57 CO 0.01 -0.18 0.53 -0.62 0.00 0.00 0.00 175.10 174.84 1mdk s ASP 58 N -0.59 6.18 0.00 3.32 -1.08 -1.26 -3.20 116.67 120.04 1mdk s ASP 58 Ca -0.07 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.69 1mdk s ASP 58 Cb -0.04 -2.24 0.41 0.00 -1.46 0.00 0.00 42.92 39.59 1mdk s ASP 58 CO 0.01 -0.84 1.01 1.33 0.52 0.00 0.00 175.17 177.20 1mdk n VAL 59 N 5.38 0.46 0.00 1.11 0.24 -1.26 -0.76 118.33 123.50 1mdk n VAL 59 Ca -0.11 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1mdk n VAL 59 Cb 0.43 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 1mdk n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mdk n ASP 60 N -1.15 4.57 0.03 -1.34 9.92 -1.26 -4.51 116.55 122.80 1mdk n ASP 60 Ca 0.05 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.39 1mdk n ASP 60 Cb 0.04 0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 1mdk n ASP 60 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mdk n ASP 61 N -2.13 0.41 -2.45 -2.24 2.03 -1.20 -4.13 116.55 106.84 1mdk n ASP 61 Ca 0.00 0.16 -0.31 0.00 0.52 0.00 0.00 54.79 55.16 1mdk n ASP 61 Cb 0.49 1.14 0.03 0.00 -0.72 0.00 0.00 41.12 42.06 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdk n ALA 62 N -2.29 5.68 0.17 -1.67 0.00 0.06 -4.78 120.51 117.68 1mdk n ALA 62 Ca -0.06 -3.98 0.07 0.00 0.00 0.00 0.00 53.44 49.48 1mdk n ALA 62 Cb 0.65 -1.10 0.40 0.00 0.00 0.00 0.00 19.45 19.40 1mdk n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1mdk h GLN 63 N 2.48 0.00 -0.33 0.00 -0.00 -1.72 0.77 115.11 116.31 1mdk h GLN 63 Ca 0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.94 1mdk h GLN 63 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.29 1mdk h GLN 63 CO 1.12 0.00 -0.42 0.38 -0.00 0.00 0.00 178.83 179.91 1mdk h ASP 64 N 0.00 0.89 -0.02 0.06 2.03 -1.92 0.39 116.42 117.85 1mdk h ASP 64 Ca 0.00 -0.42 -0.07 0.00 -0.73 0.00 0.00 57.03 55.81 1mdk h ASP 64 Cb 0.55 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1mdk h ASP 64 CO 0.00 1.19 -0.25 0.58 -1.03 0.00 0.00 179.24 179.72 1mdk h VAL 65 N 0.67 1.50 -0.45 4.15 2.07 -1.21 -2.45 116.25 120.53 1mdk h VAL 65 Ca 0.05 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1mdk h VAL 65 Cb 1.00 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1mdk h VAL 65 CO 0.10 0.51 0.12 0.00 0.02 0.00 0.00 177.57 178.31 1mdk h ALA 66 N 0.33 1.37 -0.28 1.67 0.00 -1.52 -0.76 119.26 120.06 1mdk h ALA 66 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1mdk h ALA 66 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1mdk h ALA 66 CO 0.05 0.46 0.10 0.77 0.00 0.00 0.00 179.25 180.63 1mdk h SER 67 N 0.65 0.39 -0.54 0.00 0.02 -0.20 1.56 113.55 115.43 1mdk h SER 67 Ca 0.15 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1mdk h SER 67 Cb 0.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1mdk h SER 67 CO -0.00 0.46 0.07 -0.08 -1.14 0.00 0.00 176.83 176.14 1mdk h GLU 68 N 0.30 0.96 -0.01 3.45 4.57 -1.00 -2.50 114.58 120.34 1mdk h GLU 68 Ca 0.09 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1mdk h GLU 68 Cb 0.20 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1mdk h GLU 68 CO -0.01 0.90 -0.29 0.00 -1.18 0.00 0.00 179.01 178.43 1mdk n ALA 69 N -2.47 3.13 -3.76 2.92 0.00 -0.33 -4.96 120.51 115.04 1mdk n ALA 69 Ca 0.04 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 1mdk n ALA 69 Cb 0.29 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.61 1mdk n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mdk n GLU 70 N -0.89 -1.49 -2.70 0.00 1.02 0.53 -4.90 120.64 112.21 1mdk n GLU 70 Ca 0.11 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 57.25 1mdk n GLU 70 Cb 0.34 -4.04 -0.04 0.00 -0.02 0.00 0.00 31.44 27.67 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mdk s VAL 71 N -3.55 4.36 0.00 2.62 1.01 -0.99 -4.92 120.40 118.93 1mdk s VAL 71 Ca 0.40 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.38 1mdk s VAL 71 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1mdk s VAL 71 CO 0.88 0.33 0.27 0.29 0.00 0.00 0.00 175.10 176.86 1mdk n LYS 72 N 2.62 0.15 -3.68 2.72 5.02 -1.26 -5.00 118.16 118.73 1mdk n LYS 72 Ca 0.02 -0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 55.95 1mdk n LYS 72 Cb 0.48 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.65 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdk s ALA 73 N -0.10 -1.06 0.14 7.82 0.00 -1.26 -5.16 121.76 122.13 1mdk s ALA 73 Ca 0.00 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.51 1mdk s ALA 73 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1mdk s ALA 73 CO 0.00 -0.50 -0.03 0.95 0.00 0.00 0.00 175.76 176.18 1mdk s THR 74 N 1.98 3.67 0.32 0.00 -4.23 -1.26 -3.68 115.64 112.44 1mdk s THR 74 Ca -0.06 -1.29 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 1mdk s THR 74 Cb -0.10 -2.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 1mdk s THR 74 CO -0.12 0.00 1.01 -2.16 -0.54 0.00 0.00 174.62 172.81 1mdk s PRO 75 N -2.59 4.51 -0.31 3.99 0.04 -1.26 -4.77 135.00 134.59 1mdk s PRO 75 Ca 0.25 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1mdk s PRO 75 Cb -0.10 -2.89 0.05 0.00 0.04 0.00 0.00 34.50 31.60 1mdk s PRO 75 CO 0.17 0.17 0.03 0.99 0.04 0.00 0.00 177.00 178.40 1mdk s THR 76 N -1.45 3.20 -0.29 1.26 2.01 -1.16 -2.97 115.64 116.24 1mdk s THR 76 Ca 0.50 -1.34 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1mdk s THR 76 Cb -0.24 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.42 1mdk s THR 76 CO 0.30 -0.14 0.76 -0.36 -0.69 0.00 0.00 174.62 174.49 1mdk s PHE 77 N 1.29 3.23 -0.08 4.92 0.08 -0.46 -2.76 117.98 124.19 1mdk s PHE 77 Ca -0.04 0.84 0.03 0.00 0.12 0.00 0.00 56.93 57.88 1mdk s PHE 77 Cb -0.20 -3.14 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 1mdk s PHE 77 CO -0.00 -0.51 -0.17 -0.65 -0.10 0.00 0.00 175.22 173.79 1mdk s GLN 78 N 2.87 2.83 -0.17 0.44 -0.21 -1.03 -0.42 119.66 123.96 1mdk s GLN 78 Ca 0.31 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 54.91 1mdk s GLN 78 Cb -0.14 -2.41 -0.02 0.00 1.00 0.00 0.00 33.01 31.43 1mdk s GLN 78 CO 0.11 0.41 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.60 1mdk s PHE 79 N -0.19 2.99 0.19 0.91 0.40 -0.54 -0.79 117.98 120.95 1mdk s PHE 79 Ca -0.01 -0.47 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 1mdk s PHE 79 Cb -0.13 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1mdk s PHE 79 CO 0.03 -0.18 -0.16 -0.06 0.70 0.00 0.00 175.22 175.55 1mdk s PHE 80 N 0.68 1.79 -0.23 0.36 0.08 -0.09 -2.56 117.98 118.01 1mdk s PHE 80 Ca -0.02 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1mdk s PHE 80 Cb -0.14 -0.85 0.09 0.00 -0.57 0.00 0.00 43.02 41.54 1mdk s PHE 80 CO 0.02 0.37 0.51 0.21 -0.10 0.00 0.00 175.22 176.24 1mdk s LYS 81 N -3.27 0.46 -1.62 0.44 2.20 0.17 -2.18 119.74 115.94 1mdk s LYS 81 Ca 0.20 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1mdk s LYS 81 Cb -0.03 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1mdk s LYS 81 CO 0.07 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1mdk n LYS 82 N 4.98 -1.67 -0.72 4.03 5.02 -1.26 0.36 118.16 128.89 1mdk n LYS 82 Ca -0.14 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1mdk n LYS 82 Cb 0.52 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1mdk n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mdk n GLY 83 N -0.64 0.77 3.64 0.72 0.00 -1.26 -5.01 105.19 103.40 1mdk n GLY 83 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1mdk n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mdk s GLN 84 N -0.28 2.60 0.14 1.61 -1.52 0.16 -5.11 119.66 117.27 1mdk s GLN 84 Ca 0.00 -0.72 -0.21 0.00 -1.95 0.00 0.00 55.36 52.48 1mdk s GLN 84 Cb 0.00 -2.55 -0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1mdk s GLN 84 CO 0.00 0.60 0.67 0.21 -0.25 0.00 0.00 175.29 176.52 1mdk s LYS 85 N -1.63 4.33 0.00 2.91 2.20 -1.26 0.46 119.74 126.74 1mdk s LYS 85 Ca 0.19 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1mdk s LYS 85 Cb -0.11 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1mdk s LYS 85 CO 0.10 0.56 0.00 1.33 -0.36 0.00 0.00 175.35 176.98 1mdk n VAL 86 N 1.42 0.00 -3.75 4.02 0.24 -1.06 -4.93 118.33 114.26 1mdk n VAL 86 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1mdk n VAL 86 Cb 0.50 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1mdk n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mdk s GLY 87 N -1.17 -0.25 -0.22 7.63 0.00 -1.25 -5.05 107.32 107.02 1mdk s GLY 87 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.73 1mdk s GLY 87 CO 0.00 1.49 1.18 -1.83 0.00 0.00 0.00 173.10 173.95 1mdk s GLU 88 N -2.47 0.32 -0.29 2.90 -1.05 -1.26 -1.46 118.70 115.40 1mdk s GLU 88 Ca 0.18 0.05 -0.19 0.00 -0.15 0.00 0.00 54.97 54.86 1mdk s GLU 88 Cb 0.02 0.15 0.14 0.00 -0.44 0.00 0.00 34.13 34.00 1mdk s GLU 88 CO -0.01 -0.11 1.00 -0.59 0.95 0.00 0.00 175.26 176.51 1mdk s PHE 89 N -1.24 -0.53 0.00 4.83 -0.12 0.43 -5.00 117.98 116.35 1mdk s PHE 89 Ca 0.04 1.13 0.00 0.00 -0.05 0.00 0.00 56.93 58.05 1mdk s PHE 89 Cb -0.01 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.04 -0.26 0.00 -1.13 -0.05 0.00 0.00 175.22 173.74 1mdk n SER 90 N 3.17 0.36 0.00 1.98 3.41 -1.26 -1.36 113.62 119.92 1mdk n SER 90 Ca -0.16 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1mdk n SER 90 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1mdk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mdk n GLY 91 N 5.00 -2.28 3.55 5.00 0.00 -1.16 -4.74 105.19 110.57 1mdk n GLY 91 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1mdk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdk s ALA 92 N -0.97 1.29 -0.42 4.61 0.00 -1.26 -4.79 121.76 120.22 1mdk s ALA 92 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1mdk s ALA 92 Cb 0.00 -4.44 0.19 0.00 0.00 0.00 0.00 23.12 18.87 1mdk s ALA 92 CO 0.00 -5.01 0.41 -1.71 0.00 0.00 0.00 175.76 169.45 1mdk n ASN 93 N 16.88 -0.73 -0.02 0.00 2.85 -1.26 -4.98 115.26 128.00 1mdk n ASN 93 Ca 0.40 -2.49 -0.01 0.00 -0.11 0.00 0.00 54.58 52.38 1mdk n ASN 93 Cb 0.50 -0.30 0.28 0.00 1.24 0.00 0.00 39.78 41.50 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1mdk h LYS 94 N 5.30 0.57 0.00 1.20 -0.00 -1.98 -2.00 116.57 119.66 1mdk h LYS 94 Ca 0.21 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.65 60.71 1mdk h LYS 94 Cb 0.93 -0.08 -0.00 0.00 -0.00 0.00 0.00 32.23 33.07 1mdk h LYS 94 CO 0.35 0.59 -0.14 0.93 -0.00 0.00 0.00 179.45 181.18 1mdk h GLU 95 N 0.55 0.00 -0.33 0.07 5.08 -2.00 -2.18 114.58 115.76 1mdk h GLU 95 Ca 0.12 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1mdk h GLU 95 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1mdk h GLU 95 CO 0.01 0.14 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.61 1mdk h LYS 96 N 0.00 0.73 -0.90 2.33 3.64 -1.78 -2.67 116.57 117.92 1mdk h LYS 96 Ca -0.00 -0.34 0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1mdk h LYS 96 Cb 0.35 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1mdk h LYS 96 CO 0.02 0.96 0.59 -0.07 -2.27 0.00 0.00 179.45 178.67 1mdk h LEU 97 N 0.62 0.48 0.58 5.20 3.38 -1.40 0.40 115.31 124.58 1mdk h LEU 97 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mdk h LEU 97 Cb 0.85 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1mdk h LEU 97 CO 0.07 0.20 -0.28 -0.08 0.09 0.00 0.00 178.44 178.45 1mdk h GLU 98 N 0.49 -0.75 -0.95 1.13 4.22 -1.55 -0.66 114.58 116.50 1mdk h GLU 98 Ca 0.47 0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.98 1mdk h GLU 98 Cb 1.05 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1mdk h GLU 98 CO -0.19 -0.46 0.62 0.00 -2.18 0.00 0.00 179.01 176.80 1mdk h ALA 99 N -1.01 1.35 -0.29 2.92 0.00 -1.29 -1.62 119.26 119.31 1mdk h ALA 99 Ca -0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mdk h ALA 99 Cb 0.64 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mdk h ALA 99 CO 0.13 0.58 -0.04 1.15 0.00 0.00 0.00 179.25 181.07 1mdk h THR 100 N 1.25 1.27 0.25 0.00 2.02 -0.24 -1.83 112.91 115.64 1mdk h THR 100 Ca 0.36 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1mdk h THR 100 Cb -0.09 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1mdk h THR 100 CO -0.09 0.33 -0.12 0.40 0.37 0.00 0.00 175.52 176.41 1mdk h ILE 101 N 0.32 0.77 0.00 3.11 2.04 -0.78 -0.89 117.51 122.08 1mdk h ILE 101 Ca 0.08 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1mdk h ILE 101 Cb 0.51 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1mdk h ILE 101 CO 0.02 0.02 0.00 -1.13 0.00 0.00 0.00 178.15 177.07 1mdk h ASN 102 N -0.38 0.00 0.09 1.72 -0.73 -1.29 -0.18 115.58 114.81 1mdk h ASN 102 Ca -0.03 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 1mdk h ASN 102 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1mdk h ASN 102 CO 0.06 0.00 -0.04 -0.08 -0.37 0.00 0.00 177.43 176.99 1mdk h GLU 103 N 0.00 -0.12 -0.83 6.67 4.57 -0.29 -3.34 114.58 121.24 1mdk h GLU 103 Ca 0.00 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1mdk h GLU 103 Cb 0.03 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 1mdk h GLU 103 CO 0.00 -0.08 0.12 1.28 -1.18 0.00 0.00 179.01 179.15 1mdk n LEU 104 N -4.15 4.21 0.00 1.64 4.77 -0.80 -5.10 117.00 117.56 1mdk n LEU 104 Ca -0.01 -2.16 0.03 0.00 -0.03 0.00 0.00 56.01 53.83 1mdk n LEU 104 Cb 0.05 -0.64 0.17 0.00 -2.33 0.00 0.00 43.42 40.67 1mdk n LEU 104 CO 0.04 0.58 0.40 0.55 -1.33 0.00 0.00 177.39 177.63