#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 5.11 -0.22 2.03 1.01 -1.26 -1.32 120.40 125.75 1mdk s VAL 2 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1mdk s VAL 2 Cb 0.00 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1mdk s VAL 2 CO 0.00 -0.48 0.50 -0.75 0.00 0.00 0.00 175.10 174.37 1mdk s LYS 3 N -4.09 0.46 -0.08 2.72 2.20 -0.75 -4.94 119.74 115.27 1mdk s LYS 3 Ca 0.40 1.05 -0.21 0.00 -0.36 0.00 0.00 55.97 56.85 1mdk s LYS 3 Cb -0.10 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1mdk s LYS 3 CO 0.34 -0.19 0.58 -1.14 -0.36 0.00 0.00 175.35 174.58 1mdk s GLN 4 N 2.04 4.37 -0.33 4.03 0.74 -1.26 -1.63 119.66 127.62 1mdk s GLN 4 Ca -0.07 0.66 -0.09 0.00 0.05 0.00 0.00 55.36 55.91 1mdk s GLN 4 Cb -0.09 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.60 1mdk s GLN 4 CO -0.15 0.15 0.15 0.42 -0.55 0.00 0.00 175.29 175.30 1mdk s ILE 5 N 0.58 4.32 -0.49 -2.34 -1.09 -0.77 -4.93 121.20 116.48 1mdk s ILE 5 Ca 0.31 -0.73 0.21 0.00 -2.23 0.00 0.00 60.65 58.21 1mdk s ILE 5 Cb -0.17 -3.31 -0.28 0.00 -1.58 0.00 0.00 42.46 37.12 1mdk s ILE 5 CO 0.14 -0.06 0.67 -0.62 -1.23 0.00 0.00 174.94 173.84 1mdk n GLU 6 N 4.93 0.40 -3.62 2.79 -0.58 -1.26 -4.32 120.64 118.99 1mdk n GLU 6 Ca -0.13 -0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.40 1mdk n GLU 6 Cb 0.47 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.80 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1mdk s SER 7 N -3.73 -0.26 0.63 1.62 1.04 -1.26 -4.58 113.70 107.16 1mdk s SER 7 Ca -0.00 -0.29 0.27 0.00 0.48 0.00 0.00 55.95 56.42 1mdk s SER 7 Cb 0.15 0.48 1.43 0.00 0.10 0.00 0.00 66.02 68.18 1mdk s SER 7 CO 0.87 -0.86 1.83 0.50 0.98 0.00 0.00 173.24 176.56 1mdk h LYS 8 N 2.35 0.00 0.24 4.02 3.64 -1.93 -0.79 116.57 124.10 1mdk h LYS 8 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1mdk h LYS 8 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1mdk h LYS 8 CO 0.46 0.00 -0.11 1.15 -2.27 0.00 0.00 179.45 178.68 1mdk h THR 9 N 0.00 0.77 0.00 1.00 2.02 -2.01 -2.32 112.91 112.38 1mdk h THR 9 Ca 0.11 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1mdk h THR 9 Cb 1.05 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1mdk h THR 9 CO -0.00 0.01 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 1mdk h ALA 10 N 0.42 1.05 0.41 6.16 0.00 -1.54 -3.07 119.26 122.69 1mdk h ALA 10 Ca -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 10 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1mdk h ALA 10 CO 0.05 0.17 -0.21 0.35 0.00 0.00 0.00 179.25 179.61 1mdk h PHE 11 N 0.00 -0.55 -0.58 0.00 3.57 -1.17 0.25 116.94 118.46 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 0.61 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1mdk h PHE 11 CO 0.00 -0.33 0.24 1.96 -2.23 0.00 0.00 178.31 177.95 1mdk h GLN 12 N -0.57 0.44 -0.68 1.11 1.08 -1.59 -0.65 115.11 114.25 1mdk h GLN 12 Ca -0.06 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1mdk h GLN 12 Cb 0.44 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1mdk h GLN 12 CO 0.09 0.29 0.45 0.93 -0.95 0.00 0.00 178.83 179.63 1mdk h GLU 13 N 0.45 0.77 -0.24 1.46 5.08 -1.44 -1.06 114.58 119.60 1mdk h GLU 13 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1mdk h GLU 13 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1mdk h GLU 13 CO -0.25 0.51 0.15 0.00 -1.00 0.00 0.00 179.01 178.41 1mdk h ALA 14 N 1.61 0.31 -0.22 3.43 0.00 0.11 0.24 119.26 124.74 1mdk h ALA 14 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1mdk h ALA 14 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1mdk h ALA 14 CO -0.08 -0.19 0.04 -0.07 0.00 0.00 0.00 179.25 178.95 1mdk h LEU 15 N 0.31 0.34 -0.68 0.00 3.38 -1.13 0.42 115.31 117.96 1mdk h LEU 15 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1mdk h LEU 15 Cb 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1mdk h LEU 15 CO -0.02 0.51 0.23 -0.78 0.09 0.00 0.00 178.44 178.47 1mdk h ASP 16 N 0.16 0.97 1.71 -0.43 3.58 -1.04 -2.30 116.42 119.07 1mdk h ASP 16 Ca 0.07 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1mdk h ASP 16 Cb 0.31 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1mdk h ASP 16 CO 0.00 0.91 0.00 0.00 -2.88 0.00 0.00 179.24 177.27 1mdk h ALA 17 N 1.10 1.00 0.00 -0.78 0.00 -0.42 -3.11 119.26 117.05 1mdk h ALA 17 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1mdk h ALA 17 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1mdk h ALA 17 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1mdk n ALA 18 N -1.93 1.72 -0.50 0.00 0.00 0.15 -4.94 120.51 115.00 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 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.18 1.86 0.20 0.00 0.00 -1.18 -3.30 105.19 102.60 1mdk n GLY 19 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 4.78 1.94 -4.72 1.61 8.00 -1.26 -4.34 116.55 122.56 1mdk n ASP 20 Ca 0.00 -1.67 -0.29 0.00 0.71 0.00 0.00 54.79 53.53 1mdk n ASP 20 Cb 0.00 -0.05 0.15 0.00 -0.02 0.00 0.00 41.12 41.20 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 -0.74 1.05 0.89 -1.24 1.02 -1.21 -4.76 119.74 114.76 1mdk s LYS 21 Ca 0.07 0.66 -0.10 0.00 0.02 0.00 0.00 55.97 56.62 1mdk s LYS 21 Cb 0.04 -1.80 0.13 0.00 -0.52 0.00 0.00 37.83 35.68 1mdk s LYS 21 CO 0.05 -2.34 1.12 -1.17 -0.92 0.00 0.00 175.35 172.10 1mdk s LEU 22 N -6.24 2.76 -0.21 3.17 0.20 -1.26 -4.67 118.68 112.43 1mdk s LEU 22 Ca 0.64 2.03 -0.04 0.00 0.69 0.00 0.00 54.13 57.45 1mdk s LEU 22 Cb -0.18 -4.47 0.09 0.00 -0.43 0.00 0.00 46.19 41.21 1mdk s LEU 22 CO 0.57 -2.86 0.21 -0.69 -0.29 0.00 0.00 176.35 173.28 1mdk s VAL 23 N -2.72 -0.30 -0.14 1.68 1.01 -0.94 -2.09 120.40 116.90 1mdk s VAL 23 Ca 0.65 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1mdk s VAL 23 Cb -0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1mdk s VAL 23 CO 0.58 -0.24 0.01 -0.69 0.00 0.00 0.00 175.10 174.76 1mdk s VAL 24 N 2.30 4.38 -0.04 2.92 1.01 -0.89 -0.45 120.40 129.63 1mdk s VAL 24 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1mdk s VAL 24 Cb -0.16 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1mdk s VAL 24 CO -0.14 0.53 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 1mdk s VAL 25 N -0.13 3.88 -0.43 2.92 1.01 -0.28 -1.48 120.40 125.90 1mdk s VAL 25 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1mdk s VAL 25 Cb -0.13 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.72 1mdk s VAL 25 CO 0.02 0.51 0.25 -0.62 0.00 0.00 0.00 175.10 175.25 1mdk s ASP 26 N -1.12 5.38 -1.25 3.32 2.15 -1.06 -3.00 116.67 121.09 1mdk s ASP 26 Ca 0.15 -2.01 -0.16 0.00 0.43 0.00 0.00 52.55 50.96 1mdk s ASP 26 Cb -0.11 -1.88 0.13 0.00 -0.30 0.00 0.00 42.92 40.76 1mdk s ASP 26 CO 0.05 -0.58 1.57 -0.36 -0.17 0.00 0.00 175.17 175.67 1mdk s PHE 27 N 1.19 3.20 0.11 -5.34 0.40 -1.11 -2.54 117.98 113.89 1mdk s PHE 27 Ca 0.08 -1.93 0.07 0.00 -0.60 0.00 0.00 56.93 54.55 1mdk s PHE 27 Cb -0.24 -4.50 -0.04 0.00 0.51 0.00 0.00 43.02 38.75 1mdk s PHE 27 CO -0.03 -1.57 -0.11 -1.12 0.70 0.00 0.00 175.22 173.09 1mdk s SER 28 N 3.42 4.34 -0.17 1.36 0.01 -1.20 -3.09 113.70 118.37 1mdk s SER 28 Ca 0.48 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 1mdk s SER 28 Cb 0.00 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1mdk s SER 28 CO 0.03 0.18 0.48 0.00 0.41 0.00 0.00 173.24 174.34 1mdk s ALA 29 N -1.21 3.53 0.37 1.44 0.00 -1.26 -4.22 121.76 120.40 1mdk s ALA 29 Ca 0.21 -0.36 0.24 0.00 0.00 0.00 0.00 51.96 52.05 1mdk s ALA 29 Cb -0.11 -2.71 1.24 0.00 0.00 0.00 0.00 23.12 21.53 1mdk s ALA 29 CO 0.13 -0.26 2.00 0.00 0.00 0.00 0.00 175.76 177.63 1mdk h THR 30 N 4.96 0.72 0.00 0.00 1.03 -1.98 -2.07 112.91 115.57 1mdk h THR 30 Ca -0.37 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1mdk h THR 30 Cb 1.16 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 1mdk h THR 30 CO 0.74 0.17 -0.41 -2.67 -0.01 0.00 0.00 175.52 173.34 1mdk n TRP 31 N -3.73 0.08 -3.57 0.00 4.27 -1.26 -4.81 117.44 108.42 1mdk n TRP 31 Ca -0.02 0.02 -0.37 0.00 -3.89 0.00 0.00 57.50 53.25 1mdk n TRP 31 Cb 0.29 -0.36 -0.08 0.00 -1.36 0.00 0.00 31.31 29.80 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 7.14 -0.46 -0.12 0.00 0.00 -1.87 -2.69 103.07 105.06 1mdk h GLY 33 Ca -0.39 0.17 0.24 0.00 0.00 0.00 0.00 47.33 47.35 1mdk h GLY 33 CO 0.72 -0.17 0.60 -2.55 0.00 0.00 0.00 176.54 175.15 1mdk h PRO 34 N -0.89 0.56 0.22 4.80 0.11 -1.94 1.50 132.00 136.37 1mdk h PRO 34 Ca -0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1mdk h PRO 34 Cb 0.52 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1mdk h PRO 34 CO 0.07 0.37 -0.11 0.00 -0.21 0.00 0.00 178.00 178.13 1mdk h ALA 35 N 1.71 -0.35 -0.00 -0.75 0.00 -1.86 -3.21 119.26 114.80 1mdk h ALA 35 Ca 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1mdk h ALA 35 Cb 1.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mdk h ALA 35 CO -0.45 -0.33 0.05 -0.22 0.00 0.00 0.00 179.25 178.30 1mdk h LYS 36 N -0.90 0.00 0.00 0.00 3.64 -1.13 -1.39 116.57 116.79 1mdk h LYS 36 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1mdk h LYS 36 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1mdk h LYS 36 CO 0.05 0.00 0.00 1.98 -2.27 0.00 0.00 179.45 179.21 1mdk h MET 37 N 0.00 0.00 -0.60 1.90 4.05 0.21 -0.25 114.93 120.24 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 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 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 -2.82 0.79 0.12 1.77 5.41 -0.52 -4.44 119.36 119.67 1mdk n ILE 38 Ca -0.02 -0.88 0.01 0.00 1.00 0.00 0.00 62.75 62.85 1mdk n ILE 38 Cb 0.07 0.68 0.35 0.00 -0.71 0.00 0.00 39.64 40.03 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 4.36 0.22 0.00 0.38 2.10 -1.20 -2.48 116.57 119.95 1mdk h LYS 39 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1mdk h LYS 39 Cb 0.98 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1mdk h LYS 39 CO 0.00 0.44 0.00 -2.30 -2.00 0.00 0.00 179.45 175.59 1mdk n PRO 40 N -4.20 0.02 0.00 0.07 -0.02 -1.26 -1.97 135.00 127.65 1mdk n PRO 40 Ca -0.01 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1mdk n PRO 40 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.39 0.00 -0.23 6.00 3.01 -0.95 -3.96 117.46 119.95 1mdk n PHE 41 Ca 0.01 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.40 1mdk n PHE 41 Cb 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.23 -0.13 1.38 3.57 -1.58 0.33 116.94 119.28 1mdk h PHE 42 Ca 0.00 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1mdk h PHE 42 Cb 0.00 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1mdk h PHE 42 CO 0.00 -0.41 -0.22 1.25 -2.23 0.00 0.00 178.31 176.70 1mdk h HIS 43 N -0.19 0.24 -0.59 0.41 2.76 -1.65 -2.75 115.15 113.38 1mdk h HIS 43 Ca 0.20 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1mdk h HIS 43 Cb 0.56 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1mdk h HIS 43 CO -0.73 0.44 0.11 1.03 -1.30 0.00 0.00 177.93 177.48 1mdk h SER 44 N 0.21 0.93 0.00 3.26 0.87 -0.52 -2.17 113.55 116.12 1mdk h SER 44 Ca 0.04 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1mdk h SER 44 Cb 0.51 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1mdk h SER 44 CO 0.03 0.94 0.33 0.18 -0.53 0.00 0.00 176.83 177.79 1mdk n LEU 45 N -4.33 0.30 -0.02 2.23 4.77 0.21 -0.98 117.00 119.19 1mdk n LEU 45 Ca 0.03 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1mdk n LEU 45 Cb 0.26 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.46 1mdk n LEU 45 CO 0.42 -0.62 1.17 0.28 -1.33 0.00 0.00 177.39 177.30 1mdk h SER 46 N 0.00 0.24 0.42 -1.43 0.02 -1.51 0.26 113.55 111.56 1mdk h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mdk h SER 46 Cb 0.66 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1mdk h SER 46 CO 0.00 0.15 -1.29 -0.62 -1.14 0.00 0.00 176.83 173.93 1mdk n GLU 47 N -4.46 0.45 0.05 3.45 1.02 -0.15 -3.75 120.64 117.25 1mdk n GLU 47 Ca 0.08 -0.03 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1mdk n GLU 47 Cb 0.37 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mdk n LYS 48 N -2.19 0.62 -3.23 3.49 0.00 -0.51 -4.46 118.16 111.88 1mdk n LYS 48 Ca -0.00 0.16 -0.24 0.00 0.00 0.00 0.00 58.31 58.22 1mdk n LYS 48 Cb 0.49 -1.79 -0.06 0.00 0.00 0.00 0.00 35.03 33.67 1mdk n LYS 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1mdk n TYR 49 N -2.77 1.49 0.60 5.64 4.01 0.80 -4.89 117.16 122.05 1mdk n TYR 49 Ca -0.07 -3.84 0.05 0.00 -0.16 0.00 0.00 57.90 53.89 1mdk n TYR 49 Cb 0.73 -0.44 0.30 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.83 0.00 -0.19 7.72 3.41 -1.25 -1.01 113.62 123.13 1mdk n SER 50 Ca 0.26 -0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1mdk n SER 50 Cb 0.50 -0.10 0.13 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.10 1.14 -4.58 4.04 2.85 -1.26 -4.49 115.26 111.86 1mdk n ASN 51 Ca 0.07 -0.92 -0.30 0.00 -0.11 0.00 0.00 54.58 53.33 1mdk n ASN 51 Cb 0.05 0.46 -0.10 0.00 1.24 0.00 0.00 39.78 41.43 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1mdk s VAL 52 N -2.74 3.41 -0.23 3.44 1.01 -0.18 -4.51 120.40 120.59 1mdk s VAL 52 Ca 0.16 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1mdk s VAL 52 Cb 0.18 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1mdk s VAL 52 CO 0.66 0.13 0.15 -0.63 0.00 0.00 0.00 175.10 175.41 1mdk s ILE 53 N -1.20 5.30 -0.13 2.22 -1.09 -0.89 -2.83 121.20 122.58 1mdk s ILE 53 Ca 0.21 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1mdk s ILE 53 Cb -0.11 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1mdk s ILE 53 CO 0.13 0.36 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.80 1mdk s PHE 54 N 0.99 3.02 0.41 3.97 0.08 -0.43 -2.09 117.98 123.93 1mdk s PHE 54 Ca 0.07 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.00 1mdk s PHE 54 Cb -0.13 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1mdk s PHE 54 CO 0.04 0.07 0.19 -0.51 -0.10 0.00 0.00 175.22 174.92 1mdk s LEU 55 N 0.05 3.15 -0.00 -0.37 1.02 -0.55 -1.80 118.68 120.18 1mdk s LEU 55 Ca 0.00 -1.03 -0.01 0.00 0.02 0.00 0.00 54.13 53.11 1mdk s LEU 55 Cb -0.13 -1.52 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 1mdk s LEU 55 CO 0.03 -0.53 0.03 -0.70 0.02 0.00 0.00 176.35 175.19 1mdk s GLU 56 N -3.92 0.14 -0.02 1.70 2.12 -0.64 -2.55 118.70 115.53 1mdk s GLU 56 Ca 0.41 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 1mdk s GLU 56 Cb 0.03 0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.48 1mdk s GLU 56 CO 0.23 -0.02 0.05 0.08 -0.54 0.00 0.00 175.26 175.06 1mdk s VAL 57 N -0.47 -0.01 -0.66 3.70 1.01 -1.05 -1.84 120.40 121.07 1mdk s VAL 57 Ca -0.05 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1mdk s VAL 57 Cb -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 36.38 36.39 1mdk s VAL 57 CO -0.00 0.02 0.70 -0.62 0.00 0.00 0.00 175.10 175.20 1mdk s ASP 58 N 0.24 6.35 0.00 3.32 -1.08 -1.26 -3.23 116.67 121.02 1mdk s ASP 58 Ca -0.02 -1.86 0.00 0.00 -0.52 0.00 0.00 52.55 50.15 1mdk s ASP 58 Cb -0.03 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1mdk s ASP 58 CO -0.01 -0.93 0.81 1.33 0.52 0.00 0.00 175.17 176.90 1mdk n VAL 59 N 5.12 1.30 -0.11 1.11 0.24 -1.26 0.52 118.33 125.25 1mdk n VAL 59 Ca -0.03 0.44 -0.19 0.00 -2.04 0.00 0.00 64.34 62.53 1mdk n VAL 59 Cb 0.43 -1.44 -0.09 0.00 -1.47 0.00 0.00 33.84 31.27 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 -1.31 2.04 -0.06 -1.34 8.00 -1.26 -4.11 116.55 118.51 1mdk n ASP 60 Ca 0.00 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.66 1mdk n ASP 60 Cb 0.12 -0.48 0.17 0.00 -0.02 0.00 0.00 41.12 40.91 1mdk n ASP 60 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mdk n ASP 61 N -3.50 0.76 -2.30 -2.24 -0.08 -0.89 -4.10 116.55 104.21 1mdk n ASP 61 Ca -0.41 -0.58 -0.20 0.00 -1.51 0.00 0.00 54.79 52.09 1mdk n ASP 61 Cb 0.87 0.43 0.02 0.00 2.34 0.00 0.00 41.12 44.78 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mdk n ALA 62 N -1.32 4.58 0.18 -1.67 0.00 0.18 -4.82 120.51 117.65 1mdk n ALA 62 Ca 0.06 -3.74 0.09 0.00 0.00 0.00 0.00 53.44 49.85 1mdk n ALA 62 Cb 0.34 -0.50 0.49 0.00 0.00 0.00 0.00 19.45 19.78 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 2.40 0.00 -0.36 0.00 3.07 -1.71 0.70 115.11 119.21 1mdk h GLN 63 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.82 1mdk h GLN 63 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.87 1mdk h GLN 63 CO 0.68 0.00 -0.43 0.38 0.09 0.00 0.00 178.83 179.55 1mdk h ASP 64 N 0.00 0.99 -0.04 0.06 2.03 -1.92 0.31 116.42 117.85 1mdk h ASP 64 Ca 0.00 -0.48 -0.10 0.00 -0.73 0.00 0.00 57.03 55.73 1mdk h ASP 64 Cb 0.39 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1mdk h ASP 64 CO 0.00 1.28 -0.35 0.58 -1.03 0.00 0.00 179.24 179.72 1mdk h VAL 65 N 0.74 1.46 -0.34 4.15 2.07 -1.24 -2.50 116.25 120.58 1mdk h VAL 65 Ca 0.05 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1mdk h VAL 65 Cb 1.03 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1mdk h VAL 65 CO 0.10 0.52 0.10 0.00 0.02 0.00 0.00 177.57 178.32 1mdk h ALA 66 N 0.36 1.54 -0.15 1.67 0.00 -1.48 -0.65 119.26 120.54 1mdk h ALA 66 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 66 Cb 1.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1mdk h ALA 66 CO 0.07 0.35 0.04 0.77 0.00 0.00 0.00 179.25 180.49 1mdk h SER 67 N 0.49 0.23 -0.43 0.00 0.02 -0.32 0.53 113.55 114.07 1mdk h SER 67 Ca 0.12 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1mdk h SER 67 Cb 0.16 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1mdk h SER 67 CO -0.01 0.38 0.05 -0.08 -1.14 0.00 0.00 176.83 176.04 1mdk h GLU 68 N 0.06 0.80 -0.01 3.45 4.81 -0.97 -2.19 114.58 120.53 1mdk h GLU 68 Ca 0.05 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1mdk h GLU 68 Cb 0.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1mdk h GLU 68 CO -0.00 0.77 -0.13 0.00 -0.73 0.00 0.00 179.01 178.92 1mdk n ALA 69 N -2.47 2.82 -3.78 2.92 0.00 -0.30 -4.95 120.51 114.76 1mdk n ALA 69 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1mdk n ALA 69 Cb 0.27 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.58 -2.21 -2.67 0.00 -0.58 0.18 -4.90 120.64 109.88 1mdk n GLU 70 Ca 0.15 0.45 -0.41 0.00 -0.42 0.00 0.00 57.16 56.94 1mdk n GLU 70 Cb 0.31 -4.32 -0.05 0.00 -0.57 0.00 0.00 31.44 26.81 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1mdk s VAL 71 N -3.64 4.10 0.00 2.62 1.01 -0.85 -4.92 120.40 118.71 1mdk s VAL 71 Ca 0.28 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1mdk s VAL 71 Cb -0.10 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1mdk s VAL 71 CO 0.87 0.38 0.14 0.29 0.00 0.00 0.00 175.10 176.78 1mdk n LYS 72 N 2.03 1.65 -3.70 2.72 4.76 -1.26 -4.99 118.16 119.38 1mdk n LYS 72 Ca 0.00 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.18 1mdk n LYS 72 Cb 0.47 -0.53 -0.09 0.00 -1.84 0.00 0.00 35.03 33.03 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mdk s ALA 73 N -0.28 -1.23 0.12 7.82 0.00 -1.26 -5.16 121.76 121.77 1mdk s ALA 73 Ca 0.00 1.52 0.09 0.00 0.00 0.00 0.00 51.96 53.57 1mdk s ALA 73 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1mdk s ALA 73 CO 0.00 -0.25 -0.16 0.95 0.00 0.00 0.00 175.76 176.29 1mdk s THR 74 N 0.69 2.96 0.32 0.00 -4.23 -1.26 -3.63 115.64 110.48 1mdk s THR 74 Ca -0.03 -1.48 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 1mdk s THR 74 Cb -0.05 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 1mdk s THR 74 CO -0.05 0.08 1.00 -2.16 -0.54 0.00 0.00 174.62 172.96 1mdk s PRO 75 N -2.21 4.54 -0.26 3.99 0.04 -1.26 -4.77 135.00 135.06 1mdk s PRO 75 Ca 0.19 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1mdk s PRO 75 Cb -0.10 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.56 1mdk s PRO 75 CO 0.11 0.20 -0.03 0.99 0.04 0.00 0.00 177.00 178.32 1mdk s THR 76 N -1.46 3.18 -0.34 1.26 2.01 -1.18 -2.94 115.64 116.17 1mdk s THR 76 Ca 0.49 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 1mdk s THR 76 Cb -0.23 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.67 1mdk s THR 76 CO 0.30 0.19 0.60 -0.36 -0.69 0.00 0.00 174.62 174.65 1mdk s PHE 77 N 1.38 3.17 -0.07 4.92 0.08 -0.41 -2.73 117.98 124.32 1mdk s PHE 77 Ca 0.01 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.46 1mdk s PHE 77 Cb -0.17 -3.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1mdk s PHE 77 CO -0.03 -0.57 -0.18 -0.65 -0.10 0.00 0.00 175.22 173.70 1mdk s GLN 78 N 2.60 2.69 -0.18 0.44 -0.21 -1.16 -0.31 119.66 123.53 1mdk s GLN 78 Ca 0.23 -0.77 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1mdk s GLN 78 Cb -0.15 -2.35 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1mdk s GLN 78 CO 0.14 0.46 0.00 -0.06 -2.12 0.00 0.00 175.29 173.70 1mdk s PHE 79 N -0.31 3.07 0.22 0.91 0.40 -0.47 -1.12 117.98 120.68 1mdk s PHE 79 Ca 0.02 -0.30 0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1mdk s PHE 79 Cb -0.13 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 1mdk s PHE 79 CO 0.03 -0.10 -0.21 -0.06 0.70 0.00 0.00 175.22 175.58 1mdk s PHE 80 N 0.67 2.19 -0.24 0.36 0.08 0.40 -2.02 117.98 119.42 1mdk s PHE 80 Ca -0.00 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.57 1mdk s PHE 80 Cb -0.14 -1.03 0.10 0.00 -0.57 0.00 0.00 43.02 41.38 1mdk s PHE 80 CO 0.02 0.55 0.54 0.21 -0.10 0.00 0.00 175.22 176.44 1mdk s LYS 81 N -3.08 0.49 -1.31 0.44 2.20 0.20 -2.22 119.74 116.46 1mdk s LYS 81 Ca 0.24 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 1mdk s LYS 81 Cb -0.06 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1mdk s LYS 81 CO 0.11 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.53 1mdk n LYS 82 N 5.02 -1.61 -0.13 4.03 5.02 -1.26 -0.03 118.16 129.20 1mdk n LYS 82 Ca -0.14 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1mdk n LYS 82 Cb 0.52 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 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 0.08 0.56 3.65 0.72 0.00 -1.26 -4.97 105.19 103.98 1mdk n GLY 83 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.84 2.42 0.21 1.61 -1.52 0.96 -5.08 119.66 117.41 1mdk s GLN 84 Ca 0.00 -0.89 -0.20 0.00 -1.95 0.00 0.00 55.36 52.31 1mdk s GLN 84 Cb 0.00 -2.47 -0.08 0.00 -0.22 0.00 0.00 33.01 30.24 1mdk s GLN 84 CO 0.00 0.53 0.73 0.21 -0.25 0.00 0.00 175.29 176.51 1mdk s LYS 85 N -2.27 4.29 0.00 2.91 2.20 -1.26 0.59 119.74 126.20 1mdk s LYS 85 Ca 0.24 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1mdk s LYS 85 Cb -0.11 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1mdk s LYS 85 CO 0.17 0.43 0.00 1.33 -0.36 0.00 0.00 175.35 176.92 1mdk n VAL 86 N 0.88 0.00 -3.81 4.02 0.24 -0.86 -4.92 118.33 113.89 1mdk n VAL 86 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1mdk n VAL 86 Cb 0.51 0.21 0.01 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 -1.39 -0.18 -0.19 7.63 0.00 -1.25 -5.04 107.32 106.90 1mdk s GLY 87 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 44.72 44.58 1mdk s GLY 87 CO 0.00 2.30 1.17 -1.83 0.00 0.00 0.00 173.10 174.74 1mdk s GLU 88 N -2.35 0.36 -0.29 2.90 -1.05 -1.26 -1.37 118.70 115.63 1mdk s GLU 88 Ca 0.20 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.83 1mdk s GLU 88 Cb 0.01 0.17 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO 0.00 -0.13 1.00 -0.59 0.95 0.00 0.00 175.26 176.49 1mdk s PHE 89 N -1.71 -0.53 0.00 4.83 -0.12 0.58 -5.00 117.98 116.02 1mdk s PHE 89 Ca 0.06 1.10 0.00 0.00 -0.05 0.00 0.00 56.93 58.04 1mdk s PHE 89 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 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 3.37 0.42 0.00 1.98 3.41 -1.26 -1.29 113.62 120.25 1mdk n SER 90 Ca -0.17 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 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 -2.83 3.54 5.00 0.00 -1.15 -4.71 105.19 110.05 1mdk n GLY 91 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1mdk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdk n ALA 92 N -0.46 0.64 -3.20 4.61 0.00 -1.26 -4.78 120.51 116.05 1mdk n ALA 92 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.24 1mdk n ALA 92 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 19.45 16.30 1mdk n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mdk n ASN 93 N 15.52 -0.22 0.16 0.00 4.05 -1.26 -4.96 115.26 128.55 1mdk n ASN 93 Ca 0.44 -2.66 0.04 0.00 0.45 0.00 0.00 54.58 52.85 1mdk n ASN 93 Cb 0.44 -0.43 0.45 0.00 1.23 0.00 0.00 39.78 41.47 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1mdk h LYS 94 N 4.37 0.14 -0.07 1.20 -0.00 -1.97 -2.08 116.57 118.15 1mdk h LYS 94 Ca 0.10 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.65 60.65 1mdk h LYS 94 Cb 0.90 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.10 1mdk h LYS 94 CO 0.42 0.28 -0.31 0.93 -0.00 0.00 0.00 179.45 180.77 1mdk h GLU 95 N 0.13 0.14 -0.19 0.07 4.39 -2.00 -2.61 114.58 114.51 1mdk h GLU 95 Ca 0.03 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1mdk h GLU 95 Cb 0.32 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1mdk h GLU 95 CO 0.02 0.44 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.77 1mdk h LYS 96 N 0.12 0.37 -0.95 2.33 3.64 -1.79 -2.58 116.57 117.71 1mdk h LYS 96 Ca 0.02 -0.15 0.21 0.00 -1.27 0.00 0.00 60.65 59.45 1mdk h LYS 96 Cb 0.62 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 1mdk h LYS 96 CO 0.04 0.65 0.61 -0.07 -2.27 0.00 0.00 179.45 178.42 1mdk h LEU 97 N 0.32 0.48 0.40 5.20 3.38 -1.43 0.23 115.31 123.90 1mdk h LEU 97 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mdk h LEU 97 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1mdk h LEU 97 CO 0.05 0.18 -0.19 -0.08 0.09 0.00 0.00 178.44 178.49 1mdk h GLU 98 N 0.47 -0.52 -0.77 1.13 4.57 -1.57 -1.18 114.58 116.72 1mdk h GLU 98 Ca 0.51 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.73 1mdk h GLU 98 Cb 1.17 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 1mdk h GLU 98 CO -0.23 -0.21 0.51 0.00 -1.18 0.00 0.00 179.01 177.90 1mdk h ALA 99 N -0.43 0.98 -0.22 2.92 0.00 -1.24 -1.12 119.26 120.15 1mdk h ALA 99 Ca -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mdk h ALA 99 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mdk h ALA 99 CO 0.09 0.39 -0.05 1.15 0.00 0.00 0.00 179.25 180.83 1mdk h THR 100 N 1.04 1.28 0.13 0.00 2.02 -0.60 -1.88 112.91 114.91 1mdk h THR 100 Ca 0.28 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1mdk h THR 100 Cb -0.12 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1mdk h THR 100 CO -0.06 0.32 -0.06 0.40 0.37 0.00 0.00 175.52 176.48 1mdk h ILE 101 N 0.15 0.92 0.00 3.11 2.04 -1.05 -1.30 117.51 121.38 1mdk h ILE 101 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1mdk h ILE 101 Cb 0.50 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1mdk h ILE 101 CO 0.02 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.09 1mdk h ASN 102 N -0.26 0.00 0.15 1.72 -1.24 -1.20 -0.24 115.58 114.51 1mdk h ASN 102 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1mdk h ASN 102 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1mdk h ASN 102 CO 0.03 0.00 -0.07 -0.08 -1.29 0.00 0.00 177.43 176.02 1mdk h GLU 103 N 0.00 -0.19 -0.79 6.67 4.57 -0.38 -3.34 114.58 121.12 1mdk h GLU 103 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1mdk h GLU 103 Cb 0.00 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1mdk h GLU 103 CO 0.00 -0.13 0.06 1.28 -1.18 0.00 0.00 179.01 179.05 1mdk n LEU 104 N -4.36 4.02 0.00 1.64 4.77 -0.95 -5.11 117.00 117.01 1mdk n LEU 104 Ca -0.02 -2.05 0.03 0.00 -0.03 0.00 0.00 56.01 53.93 1mdk n LEU 104 Cb 0.08 -0.63 0.18 0.00 -2.33 0.00 0.00 43.42 40.72 1mdk n LEU 104 CO 0.06 0.53 0.42 0.55 -1.33 0.00 0.00 177.39 177.61