#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 4.33 -0.21 2.03 1.01 -1.26 -2.77 120.40 123.52 1mdk s VAL 2 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1mdk s VAL 2 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1mdk s VAL 2 CO 0.00 -0.37 0.49 -0.75 0.00 0.00 0.00 175.10 174.47 1mdk s LYS 3 N -4.43 0.44 0.00 2.72 2.20 -0.85 -4.96 119.74 114.86 1mdk s LYS 3 Ca 0.45 1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 56.90 1mdk s LYS 3 Cb -0.10 0.24 -0.06 0.00 -1.51 0.00 0.00 37.83 36.40 1mdk s LYS 3 CO 0.36 -0.19 0.55 -1.14 -0.36 0.00 0.00 175.35 174.57 1mdk s GLN 4 N 2.04 4.24 -0.37 4.03 0.74 -1.26 -1.85 119.66 127.23 1mdk s GLN 4 Ca -0.06 0.66 -0.07 0.00 0.05 0.00 0.00 55.36 55.94 1mdk s GLN 4 Cb -0.10 -3.31 0.06 0.00 1.10 0.00 0.00 33.01 30.76 1mdk s GLN 4 CO -0.15 0.45 0.17 0.42 -0.55 0.00 0.00 175.29 175.63 1mdk s ILE 5 N -0.44 3.90 -1.25 -2.34 -1.09 -0.94 -4.92 121.20 114.12 1mdk s ILE 5 Ca 0.29 -1.31 0.22 0.00 -2.23 0.00 0.00 60.65 57.62 1mdk s ILE 5 Cb -0.18 -3.31 -0.17 0.00 -1.58 0.00 0.00 42.46 37.22 1mdk s ILE 5 CO 0.16 -0.34 0.97 -0.62 -1.23 0.00 0.00 174.94 173.88 1mdk n GLU 6 N 4.83 0.29 -3.66 2.79 1.02 -1.26 -4.39 120.64 120.25 1mdk n GLU 6 Ca -0.11 -0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 56.68 1mdk n GLU 6 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mdk s SER 7 N -2.87 -0.26 0.53 1.62 1.04 -1.26 -4.65 113.70 107.85 1mdk s SER 7 Ca 0.11 -0.11 0.28 0.00 0.48 0.00 0.00 55.95 56.71 1mdk s SER 7 Cb 0.17 0.43 1.43 0.00 0.10 0.00 0.00 66.02 68.15 1mdk s SER 7 CO 0.79 -0.72 1.94 0.50 0.98 0.00 0.00 173.24 176.74 1mdk h LYS 8 N 2.84 0.01 -0.55 4.02 3.64 -1.93 -0.80 116.57 123.80 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 1.22 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1mdk h LYS 8 CO 0.45 0.01 0.35 1.15 -2.27 0.00 0.00 179.45 179.14 1mdk h THR 9 N 0.01 1.15 0.00 1.00 2.02 -2.01 -1.83 112.91 113.25 1mdk h THR 9 Ca 0.34 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1mdk h THR 9 Cb 1.33 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1mdk h THR 9 CO -0.01 0.15 -0.24 0.00 0.37 0.00 0.00 175.52 175.79 1mdk h ALA 10 N 1.19 1.12 0.20 6.16 0.00 -1.54 -2.85 119.26 123.54 1mdk h ALA 10 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mdk h ALA 10 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mdk h ALA 10 CO -0.04 0.30 -0.10 0.35 0.00 0.00 0.00 179.25 179.76 1mdk h PHE 11 N 0.00 -0.25 -0.67 0.00 3.57 -1.15 0.17 116.94 118.61 1mdk h PHE 11 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1mdk h PHE 11 Cb 0.65 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 1mdk h PHE 11 CO 0.00 -0.16 0.28 1.96 -2.23 0.00 0.00 178.31 178.16 1mdk h GLN 12 N -0.28 0.45 -0.74 1.11 1.08 -1.60 0.31 115.11 115.44 1mdk h GLN 12 Ca -0.03 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1mdk h GLN 12 Cb 0.21 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1mdk h GLN 12 CO 0.05 0.30 0.49 0.93 -0.95 0.00 0.00 178.83 179.64 1mdk h GLU 13 N 0.47 0.86 -0.40 1.46 4.39 -1.46 -1.17 114.58 118.73 1mdk h GLU 13 Ca 0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1mdk h GLU 13 Cb 0.43 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1mdk h GLU 13 CO -0.32 0.57 0.25 0.00 -1.16 0.00 0.00 179.01 178.35 1mdk h ALA 14 N 1.57 0.51 -0.26 3.43 0.00 0.15 0.25 119.26 124.91 1mdk h ALA 14 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1mdk h ALA 14 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1mdk h ALA 14 CO -0.09 -0.02 0.08 -0.07 0.00 0.00 0.00 179.25 179.15 1mdk h LEU 15 N 0.53 0.38 -0.90 0.00 3.38 -1.02 0.39 115.31 118.07 1mdk h LEU 15 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1mdk h LEU 15 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1mdk h LEU 15 CO -0.03 0.49 0.24 -0.78 0.09 0.00 0.00 178.44 178.45 1mdk h ASP 16 N 0.25 0.97 1.65 -0.43 1.82 -0.98 -1.90 116.42 117.79 1mdk h ASP 16 Ca 0.08 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1mdk h ASP 16 Cb 0.25 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1mdk h ASP 16 CO -0.00 0.89 0.00 0.00 -1.61 0.00 0.00 179.24 178.51 1mdk h ALA 17 N 1.25 1.00 0.00 -0.78 0.00 -0.25 -3.10 119.26 117.38 1mdk h ALA 17 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1mdk h ALA 17 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 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 -1.91 1.77 -0.54 0.00 0.00 0.14 -4.91 120.51 115.04 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 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.19 1.75 0.00 0.00 0.00 -1.17 -3.09 105.19 102.49 1mdk n GLY 19 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1mdk n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mdk n ASP 20 N 10.78 0.06 -4.44 1.61 2.03 -1.26 -4.50 116.55 120.83 1mdk n ASP 20 Ca 0.00 -1.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.01 1mdk n ASP 20 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1mdk s LYS 21 N -0.01 -0.23 0.89 -0.67 1.02 -1.18 -4.74 119.74 114.82 1mdk s LYS 21 Ca 0.00 0.38 -0.11 0.00 0.02 0.00 0.00 55.97 56.26 1mdk s LYS 21 Cb 0.00 -1.67 0.13 0.00 -0.52 0.00 0.00 37.83 35.77 1mdk s LYS 21 CO 0.00 -3.14 1.10 -1.17 -0.92 0.00 0.00 175.35 171.22 1mdk s LEU 22 N -6.70 2.54 -0.22 3.17 0.20 -1.26 -4.68 118.68 111.73 1mdk s LEU 22 Ca 0.67 1.83 -0.03 0.00 0.69 0.00 0.00 54.13 57.28 1mdk s LEU 22 Cb -0.17 -4.26 0.10 0.00 -0.43 0.00 0.00 46.19 41.42 1mdk s LEU 22 CO 0.58 -2.77 0.22 -0.69 -0.29 0.00 0.00 176.35 173.40 1mdk s VAL 23 N -2.78 -0.31 -0.16 1.68 1.01 -0.88 -2.02 120.40 116.94 1mdk s VAL 23 Ca 0.64 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 1mdk s VAL 23 Cb -0.20 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1mdk s VAL 23 CO 0.58 -0.29 0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1mdk s VAL 24 N 2.31 4.75 -0.07 2.92 1.01 -0.78 -0.49 120.40 130.06 1mdk s VAL 24 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1mdk s VAL 24 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1mdk s VAL 24 CO -0.17 0.50 -0.04 -0.69 0.00 0.00 0.00 175.10 174.70 1mdk s VAL 25 N 0.01 3.92 -0.42 2.92 1.01 0.02 -1.24 120.40 126.62 1mdk s VAL 25 Ca 0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1mdk s VAL 25 Cb -0.12 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1mdk s VAL 25 CO 0.01 0.58 0.24 -0.62 0.00 0.00 0.00 175.10 175.31 1mdk s ASP 26 N -0.90 5.41 -1.25 3.32 2.15 -1.12 -2.80 116.67 121.49 1mdk s ASP 26 Ca 0.13 -1.88 -0.16 0.00 0.43 0.00 0.00 52.55 51.08 1mdk s ASP 26 Cb -0.11 -1.89 0.13 0.00 -0.30 0.00 0.00 42.92 40.74 1mdk s ASP 26 CO 0.02 -0.57 1.57 -0.36 -0.17 0.00 0.00 175.17 175.67 1mdk s PHE 27 N 1.25 3.18 0.08 -5.34 0.40 -1.15 -2.35 117.98 114.05 1mdk s PHE 27 Ca 0.06 -1.91 0.07 0.00 -0.60 0.00 0.00 56.93 54.55 1mdk s PHE 27 Cb -0.24 -4.51 -0.04 0.00 0.51 0.00 0.00 43.02 38.74 1mdk s PHE 27 CO -0.02 -1.58 -0.13 -1.12 0.70 0.00 0.00 175.22 173.06 1mdk s SER 28 N 3.46 4.17 -0.11 1.36 0.01 -1.17 -3.14 113.70 118.28 1mdk s SER 28 Ca 0.48 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 57.16 1mdk s SER 28 Cb 0.00 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1mdk s SER 28 CO 0.04 0.21 0.44 0.00 0.41 0.00 0.00 173.24 174.34 1mdk s ALA 29 N -1.10 3.52 0.34 1.44 0.00 -1.26 -4.22 121.76 120.48 1mdk s ALA 29 Ca 0.18 -0.23 0.17 0.00 0.00 0.00 0.00 51.96 52.09 1mdk s ALA 29 Cb -0.11 -2.58 0.89 0.00 0.00 0.00 0.00 23.12 21.32 1mdk s ALA 29 CO 0.10 0.07 1.87 0.00 0.00 0.00 0.00 175.76 177.80 1mdk h THR 30 N 4.59 1.02 0.00 0.00 1.03 -1.97 -2.53 112.91 115.05 1mdk h THR 30 Ca -0.42 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 64.85 1mdk h THR 30 Cb 1.18 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1mdk h THR 30 CO 0.74 0.30 -0.45 -2.67 -0.01 0.00 0.00 175.52 173.43 1mdk n TRP 31 N -3.89 0.19 -3.44 0.00 4.27 -1.26 -4.80 117.44 108.52 1mdk n TRP 31 Ca -0.02 0.06 -0.38 0.00 -3.89 0.00 0.00 57.50 53.27 1mdk n TRP 31 Cb 0.38 -0.43 -0.08 0.00 -1.36 0.00 0.00 31.31 29.82 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 7.60 -0.36 -0.11 0.00 0.00 -1.87 -2.42 103.07 105.91 1mdk h GLY 33 Ca -0.36 0.13 0.19 0.00 0.00 0.00 0.00 47.33 47.29 1mdk h GLY 33 CO 0.71 -0.13 0.31 -2.55 0.00 0.00 0.00 176.54 174.88 1mdk h PRO 34 N -0.73 0.36 0.18 4.80 0.11 -1.94 1.55 132.00 136.32 1mdk h PRO 34 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1mdk h PRO 34 Cb 0.49 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1mdk h PRO 34 CO 0.06 0.24 -0.09 0.00 -0.21 0.00 0.00 178.00 178.00 1mdk h ALA 35 N 1.66 -0.24 0.00 -0.75 0.00 -1.87 -3.11 119.26 114.95 1mdk h ALA 35 Ca 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1mdk h ALA 35 Cb 0.89 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1mdk h ALA 35 CO -0.51 -0.29 0.00 -0.22 0.00 0.00 0.00 179.25 178.24 1mdk h LYS 36 N -0.94 0.00 0.00 0.00 3.64 -0.95 -1.50 116.57 116.82 1mdk h LYS 36 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1mdk h LYS 36 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1mdk h LYS 36 CO 0.04 0.00 -0.03 1.98 -2.27 0.00 0.00 179.45 179.17 1mdk h MET 37 N 0.00 0.00 -0.63 1.90 4.05 0.23 -1.96 114.93 118.52 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 0.03 0.00 -0.89 0.23 0.00 0.00 176.91 176.28 1mdk n ILE 38 N -3.40 2.36 0.06 1.77 5.41 -0.56 -4.49 119.36 120.49 1mdk n ILE 38 Ca -0.02 -1.24 -0.05 0.00 1.00 0.00 0.00 62.75 62.44 1mdk n ILE 38 Cb 0.15 -0.22 0.14 0.00 -0.71 0.00 0.00 39.64 39.00 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 0.36 0.00 0.38 2.10 -1.52 -2.97 116.57 118.60 1mdk h LYS 39 Ca 0.00 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1mdk h LYS 39 Cb 1.76 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1mdk h LYS 39 CO 0.41 0.77 0.00 -2.30 -2.00 0.00 0.00 179.45 176.33 1mdk n PRO 40 N -3.97 0.05 0.00 0.07 -0.02 -1.26 -2.55 135.00 127.32 1mdk n PRO 40 Ca -0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1mdk n PRO 40 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.32 6.00 3.01 -1.13 -3.82 117.46 119.81 1mdk n PHE 41 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1mdk n PHE 41 Cb 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.59 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 -0.20 1.38 3.57 -1.64 0.50 116.94 119.75 1mdk h PHE 42 Ca 0.00 0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1mdk h PHE 42 Cb 0.00 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1mdk h PHE 42 CO 0.00 -0.39 -0.37 1.25 -2.23 0.00 0.00 178.31 176.57 1mdk h HIS 43 N -0.03 0.49 -0.55 0.41 2.76 -1.76 -3.10 115.15 113.38 1mdk h HIS 43 Ca 0.36 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1mdk h HIS 43 Cb 0.61 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mdk h HIS 43 CO -0.76 0.74 0.34 1.03 -1.30 0.00 0.00 177.93 177.98 1mdk h SER 44 N 0.36 0.65 0.00 3.26 0.87 -0.16 -0.48 113.55 118.05 1mdk h SER 44 Ca 0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1mdk h SER 44 Cb 0.81 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1mdk h SER 44 CO 0.07 0.50 0.40 -0.07 -0.53 0.00 0.00 176.83 177.20 1mdk h LEU 45 N 0.74 0.00 -1.61 2.23 3.38 -1.08 0.16 115.31 119.13 1mdk h LEU 45 Ca 0.20 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1mdk h LEU 45 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1mdk h LEU 45 CO -0.04 0.00 0.39 0.28 0.09 0.00 0.00 178.44 179.16 1mdk h SER 46 N 0.00 0.41 0.46 -0.43 0.02 -1.20 0.51 113.55 113.31 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 0.80 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1mdk h SER 46 CO 0.00 0.26 -1.42 -0.62 -1.14 0.00 0.00 176.83 173.91 1mdk n GLU 47 N -4.47 0.55 0.09 3.45 1.02 0.56 -3.75 120.64 118.09 1mdk n GLU 47 Ca 0.09 -0.04 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 1mdk n GLU 47 Cb 0.31 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.34 0.61 -3.21 3.49 4.81 -0.62 -4.45 118.16 116.45 1mdk n LYS 48 Ca -0.01 0.12 -0.23 0.00 -0.87 0.00 0.00 58.31 57.31 1mdk n LYS 48 Cb 0.53 -1.81 -0.06 0.00 0.02 0.00 0.00 35.03 33.71 1mdk n LYS 48 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mdk n TYR 49 N -2.69 1.04 0.64 5.64 4.01 0.17 -4.89 117.16 121.08 1mdk n TYR 49 Ca -0.01 -3.79 0.06 0.00 -0.16 0.00 0.00 57.90 53.99 1mdk n TYR 49 Cb 0.59 -0.42 0.32 0.00 -0.31 0.00 0.00 39.34 39.52 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 0.84 0.00 -0.70 7.72 3.41 -1.25 -1.38 113.62 122.27 1mdk n SER 50 Ca 0.25 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1mdk n SER 50 Cb 0.52 -0.17 0.34 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.17 2.18 -4.38 4.04 5.15 -1.26 -4.54 115.26 115.29 1mdk n ASN 51 Ca 0.07 -1.73 -0.28 0.00 -0.60 0.00 0.00 54.58 52.04 1mdk n ASN 51 Cb 0.07 -0.01 -0.13 0.00 -0.53 0.00 0.00 39.78 39.18 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 -1.97 2.18 -0.17 3.44 1.01 -0.48 -4.60 120.40 119.82 1mdk s VAL 52 Ca 0.34 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 1mdk s VAL 52 Cb 0.20 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1mdk s VAL 52 CO 0.32 0.06 0.19 -0.63 0.00 0.00 0.00 175.10 175.04 1mdk s ILE 53 N -1.10 5.38 -0.10 2.22 -1.09 -0.86 -3.92 121.20 121.73 1mdk s ILE 53 Ca 0.13 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 1mdk s ILE 53 Cb -0.10 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1mdk s ILE 53 CO 0.06 0.46 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.67 1mdk s PHE 54 N 0.11 2.64 0.48 3.97 0.08 -1.12 -1.86 117.98 122.30 1mdk s PHE 54 Ca 0.12 -0.77 0.05 0.00 0.12 0.00 0.00 56.93 56.45 1mdk s PHE 54 Cb -0.12 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1mdk s PHE 54 CO 0.01 -0.26 0.20 -0.51 -0.10 0.00 0.00 175.22 174.57 1mdk s LEU 55 N 0.17 2.76 -0.02 -0.37 1.02 -0.37 -2.01 118.68 119.86 1mdk s LEU 55 Ca -0.11 -1.29 -0.07 0.00 0.02 0.00 0.00 54.13 52.68 1mdk s LEU 55 Cb -0.16 -1.16 0.01 0.00 0.02 0.00 0.00 46.19 44.90 1mdk s LEU 55 CO 0.06 -0.81 0.15 -0.70 0.02 0.00 0.00 176.35 175.08 1mdk s GLU 56 N -4.02 0.40 -0.06 1.70 2.12 -0.77 -2.77 118.70 115.30 1mdk s GLU 56 Ca 0.29 -0.19 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 1mdk s GLU 56 Cb 0.01 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.59 1mdk s GLU 56 CO 0.17 -0.09 0.15 0.08 -0.54 0.00 0.00 175.26 175.03 1mdk s VAL 57 N -0.92 -0.01 -0.53 3.70 1.01 -0.99 -2.20 120.40 120.46 1mdk s VAL 57 Ca -0.10 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1mdk s VAL 57 Cb -0.06 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 36.23 1mdk s VAL 57 CO 0.01 0.01 0.48 -0.62 0.00 0.00 0.00 175.10 174.99 1mdk s ASP 58 N 0.27 6.18 0.00 3.32 2.15 -1.26 -3.02 116.67 124.31 1mdk s ASP 58 Ca -0.02 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.25 1mdk s ASP 58 Cb -0.03 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1mdk s ASP 58 CO -0.01 -0.82 0.45 1.33 -0.17 0.00 0.00 175.17 175.95 1mdk n VAL 59 N 5.24 0.00 -0.02 1.11 0.24 -1.26 -0.10 118.33 123.54 1mdk n VAL 59 Ca -0.14 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.13 1mdk n VAL 59 Cb 0.41 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.95 3.05 0.05 -1.34 8.00 -1.26 -4.42 116.55 119.68 1mdk n ASP 60 Ca 0.00 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1mdk n ASP 60 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.73 0.51 -2.34 -2.24 2.03 -1.05 -4.19 116.55 106.54 1mdk n ASP 61 Ca -0.08 0.16 -0.26 0.00 0.52 0.00 0.00 54.79 55.13 1mdk n ASP 61 Cb 0.57 1.06 0.01 0.00 -0.72 0.00 0.00 41.12 42.04 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 -2.18 5.10 0.22 -1.67 0.00 0.86 -4.82 120.51 118.02 1mdk n ALA 62 Ca -0.01 -4.14 0.11 0.00 0.00 0.00 0.00 53.44 49.40 1mdk n ALA 62 Cb 0.55 -0.51 0.61 0.00 0.00 0.00 0.00 19.45 20.09 1mdk n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mdk h GLN 63 N 2.45 0.00 -0.29 0.00 4.20 -1.73 -0.05 115.11 119.70 1mdk h GLN 63 Ca 0.33 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.91 1mdk h GLN 63 Cb 1.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1mdk h GLN 63 CO 0.84 0.00 -0.37 0.38 -0.67 0.00 0.00 178.83 179.01 1mdk h ASP 64 N 0.00 0.69 -0.02 1.46 2.03 -1.91 0.46 116.42 119.14 1mdk h ASP 64 Ca 0.00 -0.30 -0.04 0.00 -0.73 0.00 0.00 57.03 55.97 1mdk h ASP 64 Cb 0.39 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1mdk h ASP 64 CO 0.00 0.99 -0.13 0.58 -1.03 0.00 0.00 179.24 179.66 1mdk h VAL 65 N 0.55 1.51 -0.51 4.15 2.07 -1.37 -2.17 116.25 120.48 1mdk h VAL 65 Ca 0.05 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 65.84 1mdk h VAL 65 Cb 0.88 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1mdk h VAL 65 CO 0.08 0.45 0.08 0.00 0.02 0.00 0.00 177.57 178.20 1mdk h ALA 66 N 0.35 1.18 -0.28 1.67 0.00 -1.51 -1.05 119.26 119.62 1mdk h ALA 66 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1mdk h ALA 66 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1mdk h ALA 66 CO 0.03 0.55 0.10 0.77 0.00 0.00 0.00 179.25 180.70 1mdk h SER 67 N 0.77 0.39 -0.54 0.00 0.02 -0.07 1.74 113.55 115.86 1mdk h SER 67 Ca 0.16 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1mdk h SER 67 Cb 0.35 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1mdk h SER 67 CO 0.01 0.46 0.10 -0.08 -1.14 0.00 0.00 176.83 176.18 1mdk h GLU 68 N 0.29 0.93 -0.00 3.45 4.22 -1.11 -1.97 114.58 120.39 1mdk h GLU 68 Ca 0.09 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1mdk h GLU 68 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mdk h GLU 68 CO -0.01 0.86 -0.25 0.00 -2.18 0.00 0.00 179.01 177.43 1mdk n ALA 69 N -2.46 3.04 -3.69 2.92 0.00 -0.42 -4.95 120.51 114.94 1mdk n ALA 69 Ca 0.04 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1mdk n ALA 69 Cb 0.26 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.97 -2.64 -2.89 0.00 1.02 0.58 -4.92 120.64 110.84 1mdk n GLU 70 Ca 0.11 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 1mdk n GLU 70 Cb 0.32 -4.63 -0.04 0.00 -0.02 0.00 0.00 31.44 27.08 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 -3.60 4.89 -0.77 2.62 1.01 -0.69 -4.92 120.40 118.94 1mdk s VAL 71 Ca 0.27 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1mdk s VAL 71 Cb -0.09 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.32 1mdk s VAL 71 CO 0.84 0.04 1.04 0.29 0.00 0.00 0.00 175.10 177.31 1mdk n LYS 72 N 5.10 1.99 -3.69 2.72 4.01 -1.26 -4.94 118.16 122.09 1mdk n LYS 72 Ca 0.04 -1.59 -0.14 0.00 -0.51 0.00 0.00 58.31 56.11 1mdk n LYS 72 Cb 0.49 -1.18 -0.08 0.00 -0.51 0.00 0.00 35.03 33.75 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mdk s ALA 73 N -0.89 -1.13 0.08 7.82 0.00 -1.26 -5.17 121.76 121.21 1mdk s ALA 73 Ca 0.14 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1mdk s ALA 73 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1mdk s ALA 73 CO 0.11 -0.27 -0.18 0.95 0.00 0.00 0.00 175.76 176.37 1mdk s THR 74 N -0.70 1.46 0.23 0.00 -4.23 -1.26 -3.81 115.64 107.33 1mdk s THR 74 Ca -0.08 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1mdk s THR 74 Cb -0.03 -1.33 -0.09 0.00 1.34 0.00 0.00 72.50 72.38 1mdk s THR 74 CO 0.04 -0.07 0.93 -2.16 -0.54 0.00 0.00 174.62 172.82 1mdk s PRO 75 N -1.68 4.84 -0.33 3.99 0.04 -1.26 -4.79 135.00 135.81 1mdk s PRO 75 Ca 0.03 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 1mdk s PRO 75 Cb -0.10 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.20 1mdk s PRO 75 CO 0.03 0.52 0.08 0.99 0.04 0.00 0.00 177.00 178.66 1mdk s THR 76 N -1.17 3.62 -0.34 1.26 2.01 -1.19 -3.20 115.64 116.64 1mdk s THR 76 Ca 0.41 -1.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 1mdk s THR 76 Cb -0.26 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1mdk s THR 76 CO 0.32 -0.13 0.79 -0.36 -0.69 0.00 0.00 174.62 174.54 1mdk s PHE 77 N 1.38 3.15 -0.07 4.92 0.08 -0.45 -2.93 117.98 124.05 1mdk s PHE 77 Ca -0.02 0.67 0.03 0.00 0.12 0.00 0.00 56.93 57.72 1mdk s PHE 77 Cb -0.19 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 1mdk s PHE 77 CO 0.02 -0.67 -0.14 -0.65 -0.10 0.00 0.00 175.22 173.68 1mdk s GLN 78 N 3.05 2.76 -0.18 0.44 -0.21 -1.12 -0.14 119.66 124.27 1mdk s GLN 78 Ca 0.32 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.97 1mdk s GLN 78 Cb -0.13 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 1mdk s GLN 78 CO 0.15 0.50 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.73 1mdk s PHE 79 N -0.41 2.99 0.19 0.91 0.40 -0.41 -0.80 117.98 120.86 1mdk s PHE 79 Ca 0.05 -0.50 0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1mdk s PHE 79 Cb -0.12 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1mdk s PHE 79 CO 0.02 -0.22 -0.20 -0.06 0.70 0.00 0.00 175.22 175.47 1mdk s PHE 80 N 0.78 2.00 -0.24 0.36 0.08 0.35 -2.23 117.98 119.08 1mdk s PHE 80 Ca -0.01 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.51 1mdk s PHE 80 Cb -0.14 -0.96 0.10 0.00 -0.57 0.00 0.00 43.02 41.44 1mdk s PHE 80 CO 0.02 0.44 0.53 0.21 -0.10 0.00 0.00 175.22 176.32 1mdk s LYS 81 N -2.98 0.47 -1.47 0.44 2.20 0.27 -2.06 119.74 116.61 1mdk s LYS 81 Ca 0.20 1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 56.88 1mdk s LYS 81 Cb -0.06 0.44 0.06 0.00 -1.51 0.00 0.00 37.83 36.76 1mdk s LYS 81 CO 0.09 -0.21 0.86 1.63 -0.36 0.00 0.00 175.35 177.36 1mdk n LYS 82 N 5.11 -5.47 -0.93 4.03 5.02 -1.26 0.31 118.16 124.98 1mdk n LYS 82 Ca -0.13 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1mdk n LYS 82 Cb 0.51 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 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 -1.63 0.41 3.57 0.72 0.00 -1.26 -4.99 105.19 102.02 1mdk n GLY 83 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.65 2.38 0.18 1.61 -1.52 0.15 -5.11 119.66 116.70 1mdk s GLN 84 Ca 0.00 -0.83 -0.21 0.00 -1.95 0.00 0.00 55.36 52.37 1mdk s GLN 84 Cb 0.00 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.30 1mdk s GLN 84 CO 0.00 0.57 0.70 0.21 -0.25 0.00 0.00 175.29 176.52 1mdk s LYS 85 N -1.63 4.31 0.00 2.91 2.20 -1.26 0.95 119.74 127.22 1mdk s LYS 85 Ca 0.18 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1mdk s LYS 85 Cb -0.11 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1mdk s LYS 85 CO 0.09 0.49 0.00 1.33 -0.36 0.00 0.00 175.35 176.90 1mdk n VAL 86 N 1.12 0.00 0.00 4.02 0.24 -0.95 -4.91 118.33 117.85 1mdk n VAL 86 Ca -0.05 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1mdk n VAL 86 Cb 0.50 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1mdk n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdk n GLY 87 N 0.55 0.22 3.58 7.63 0.00 -1.25 -5.03 105.19 110.91 1mdk n GLY 87 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 1mdk n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mdk s GLU 88 N -2.00 0.40 -0.29 1.61 4.04 -1.26 -1.29 118.70 119.91 1mdk s GLU 88 Ca 0.00 -0.08 -0.17 0.00 0.04 0.00 0.00 54.97 54.76 1mdk s GLU 88 Cb 0.00 0.19 0.14 0.00 0.02 0.00 0.00 34.13 34.48 1mdk s GLU 88 CO 0.00 -0.16 0.97 -0.59 -1.84 0.00 0.00 175.26 173.64 1mdk s PHE 89 N -2.08 -0.58 0.00 4.83 -0.12 0.81 -4.99 117.98 115.84 1mdk s PHE 89 Ca 0.07 1.18 0.00 0.00 -0.05 0.00 0.00 56.93 58.12 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 -0.05 -0.29 0.00 -1.13 -0.05 0.00 0.00 175.22 173.71 1mdk n SER 90 N 3.56 0.28 -0.39 1.98 3.41 -1.26 -1.34 113.62 119.85 1mdk n SER 90 Ca -0.18 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 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 -3.04 3.52 5.00 0.00 -1.19 -4.69 105.19 109.79 1mdk n GLY 91 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 0.30 0.66 -3.36 4.61 0.00 -1.26 -4.76 120.51 116.70 1mdk n ALA 92 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 1mdk n ALA 92 Cb 0.00 -2.72 -0.09 0.00 0.00 0.00 0.00 19.45 16.64 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 11.88 -0.01 -0.19 0.00 2.85 -1.26 -4.98 115.26 123.55 1mdk n ASN 93 Ca 0.57 -2.53 -0.09 0.00 -0.11 0.00 0.00 54.58 52.42 1mdk n ASN 93 Cb 0.25 -0.59 0.01 0.00 1.24 0.00 0.00 39.78 40.70 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 5.13 0.86 0.00 1.20 2.10 -1.98 -2.65 116.57 121.22 1mdk h LYS 94 Ca 0.21 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1mdk h LYS 94 Cb 0.89 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1mdk h LYS 94 CO 0.43 0.81 -0.11 0.93 -2.00 0.00 0.00 179.45 179.50 1mdk h GLU 95 N 0.75 0.00 -0.07 0.07 5.08 -2.00 -1.84 114.58 116.57 1mdk h GLU 95 Ca 0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 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 0.00 0.11 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.39 1mdk h LYS 96 N 0.00 0.19 -0.98 2.33 3.64 -1.89 -2.88 116.57 116.98 1mdk h LYS 96 Ca -0.00 -0.11 0.21 0.00 -1.27 0.00 0.00 60.65 59.48 1mdk h LYS 96 Cb 0.28 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1mdk h LYS 96 CO 0.01 0.66 0.62 -0.07 -2.27 0.00 0.00 179.45 178.41 1mdk h LEU 97 N 0.15 0.59 0.38 5.20 3.38 -1.28 0.22 115.31 123.95 1mdk h LEU 97 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.96 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1mdk h LEU 97 CO 0.08 0.20 -0.18 -0.08 0.09 0.00 0.00 178.44 178.55 1mdk h GLU 98 N 0.57 -0.49 -0.86 1.13 4.81 -1.63 -1.49 114.58 116.63 1mdk h GLU 98 Ca 0.54 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.86 1mdk h GLU 98 Cb 1.11 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1mdk h GLU 98 CO -0.29 -0.17 0.56 0.00 -0.73 0.00 0.00 179.01 178.38 1mdk h ALA 99 N -0.56 1.52 -0.25 2.92 0.00 -1.38 -0.92 119.26 120.59 1mdk h ALA 99 Ca -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1mdk h ALA 99 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1mdk h ALA 99 CO 0.08 0.36 -0.08 1.15 0.00 0.00 0.00 179.25 180.77 1mdk h THR 100 N 1.00 1.29 0.32 0.00 2.02 -0.59 -2.12 112.91 114.83 1mdk h THR 100 Ca 0.36 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1mdk h THR 100 Cb 0.14 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1mdk h THR 100 CO -0.12 0.34 -0.15 0.40 0.37 0.00 0.00 175.52 176.36 1mdk h ILE 101 N 0.23 0.71 0.00 3.11 2.04 -0.78 -1.61 117.51 121.21 1mdk h ILE 101 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1mdk h ILE 101 Cb 0.55 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1mdk h ILE 101 CO 0.03 0.04 0.01 -1.13 0.00 0.00 0.00 178.15 177.09 1mdk h ASN 102 N -0.52 0.00 0.20 1.72 -0.73 -1.20 0.31 115.58 115.36 1mdk h ASN 102 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1mdk h ASN 102 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1mdk h ASN 102 CO 0.07 0.00 -0.10 -0.08 -0.37 0.00 0.00 177.43 176.95 1mdk h GLU 103 N 0.00 -0.26 -0.70 6.67 4.57 -0.58 -3.32 114.58 120.95 1mdk h GLU 103 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1mdk h GLU 103 Cb 0.02 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1mdk h GLU 103 CO 0.00 -0.17 0.00 1.28 -1.18 0.00 0.00 179.01 178.94 1mdk n LEU 104 N -4.91 3.90 0.00 1.64 4.77 -1.06 -5.11 117.00 116.23 1mdk n LEU 104 Ca -0.03 -1.98 0.04 0.00 -0.03 0.00 0.00 56.01 54.01 1mdk n LEU 104 Cb 0.11 -0.59 0.23 0.00 -2.33 0.00 0.00 43.42 40.84 1mdk n LEU 104 CO 0.08 0.51 0.46 0.55 -1.33 0.00 0.00 177.39 177.66