#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 2.65 -0.21 3.17 1.01 -1.26 -3.13 120.40 122.63 1mdk s VAL 2 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1mdk s VAL 2 Cb 0.00 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.55 1mdk s VAL 2 CO 0.00 0.00 0.48 -0.75 0.00 0.00 0.00 175.10 174.83 1mdk s LYS 3 N -4.72 0.42 -0.13 2.72 2.47 -0.82 -4.95 119.74 114.74 1mdk s LYS 3 Ca 0.58 1.05 -0.20 0.00 -1.56 0.00 0.00 55.97 55.84 1mdk s LYS 3 Cb -0.10 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.53 1mdk s LYS 3 CO 0.38 -0.21 0.55 -1.14 0.16 0.00 0.00 175.35 175.09 1mdk s GLN 4 N 2.21 4.33 -0.35 4.03 0.74 -1.26 -1.15 119.66 128.20 1mdk s GLN 4 Ca -0.05 0.56 -0.07 0.00 0.05 0.00 0.00 55.36 55.85 1mdk s GLN 4 Cb -0.10 -3.47 0.04 0.00 1.10 0.00 0.00 33.01 30.58 1mdk s GLN 4 CO -0.14 0.05 0.14 0.42 -0.55 0.00 0.00 175.29 175.20 1mdk s ILE 5 N 0.94 3.93 -1.37 -2.34 -1.09 -0.74 -4.93 121.20 115.60 1mdk s ILE 5 Ca 0.29 -1.14 0.21 0.00 -2.23 0.00 0.00 60.65 57.78 1mdk s ILE 5 Cb -0.16 -3.25 -0.15 0.00 -1.58 0.00 0.00 42.46 37.33 1mdk s ILE 5 CO 0.12 -0.23 0.96 -0.62 -1.23 0.00 0.00 174.94 173.94 1mdk n GLU 6 N 4.84 0.51 -3.70 2.79 1.02 -1.26 -4.25 120.64 120.59 1mdk n GLU 6 Ca -0.12 -0.37 -0.13 0.00 -0.02 0.00 0.00 57.16 56.52 1mdk n GLU 6 Cb 0.45 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.78 -0.25 0.59 1.62 1.04 -1.26 -4.58 113.70 108.08 1mdk s SER 7 Ca 0.12 0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.85 1mdk s SER 7 Cb 0.17 0.39 1.47 0.00 0.10 0.00 0.00 66.02 68.15 1mdk s SER 7 CO 0.75 -0.60 1.89 0.50 0.98 0.00 0.00 173.24 176.76 1mdk h LYS 8 N 3.24 0.00 0.01 4.02 3.64 -1.93 -1.00 116.57 124.55 1mdk h LYS 8 Ca -0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1mdk h LYS 8 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1mdk h LYS 8 CO 0.43 0.00 -0.00 1.15 -2.27 0.00 0.00 179.45 178.76 1mdk h THR 9 N 0.00 1.00 0.00 1.00 2.02 -2.01 -2.02 112.91 112.91 1mdk h THR 9 Ca 0.23 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 1mdk h THR 9 Cb 1.21 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1mdk h THR 9 CO -0.00 0.01 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 1mdk h ALA 10 N 0.97 1.04 0.41 6.16 0.00 -1.59 -3.08 119.26 123.17 1mdk h ALA 10 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1mdk h ALA 10 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mdk h ALA 10 CO 0.00 0.12 -0.20 0.35 0.00 0.00 0.00 179.25 179.52 1mdk h PHE 11 N 0.00 -0.51 -0.60 0.00 3.57 -1.10 0.24 116.94 118.54 1mdk h PHE 11 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1mdk h PHE 11 Cb 0.56 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1mdk h PHE 11 CO 0.00 -0.32 0.26 1.96 -2.23 0.00 0.00 178.31 177.99 1mdk h GLN 12 N -0.55 0.46 -0.63 1.11 4.20 -1.59 -0.29 115.11 117.82 1mdk h GLN 12 Ca -0.06 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1mdk h GLN 12 Cb 0.42 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1mdk h GLN 12 CO 0.09 0.31 0.42 0.93 -0.67 0.00 0.00 178.83 179.90 1mdk h GLU 13 N 0.48 0.73 -0.12 1.46 5.08 -1.46 -0.33 114.58 120.42 1mdk h GLU 13 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1mdk h GLU 13 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1mdk h GLU 13 CO -0.26 0.48 0.08 0.00 -1.00 0.00 0.00 179.01 178.31 1mdk h ALA 14 N 1.63 0.15 -0.71 3.43 0.00 0.13 0.10 119.26 124.00 1mdk h ALA 14 Ca 0.25 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1mdk h ALA 14 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1mdk h ALA 14 CO -0.07 -0.35 0.17 -0.07 0.00 0.00 0.00 179.25 178.93 1mdk h LEU 15 N 0.15 1.07 -0.54 0.00 3.38 -1.05 0.12 115.31 118.45 1mdk h LEU 15 Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1mdk h LEU 15 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1mdk h LEU 15 CO -0.01 1.03 0.17 -0.78 0.09 0.00 0.00 178.44 178.94 1mdk h ASP 16 N 1.08 0.79 1.49 -0.43 3.58 -0.66 -2.27 116.42 119.99 1mdk h ASP 16 Ca 0.22 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1mdk h ASP 16 Cb 0.37 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1mdk h ASP 16 CO 0.00 0.78 0.00 0.00 -2.88 0.00 0.00 179.24 177.14 1mdk h ALA 17 N 1.03 1.00 0.00 -0.78 0.00 -0.57 -3.04 119.26 116.90 1mdk h ALA 17 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 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 -1.86 1.65 -0.70 0.00 0.00 0.41 -4.94 120.51 115.08 1mdk n ALA 18 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mdk n ALA 18 Cb 0.42 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 2.68 0.18 0.00 0.00 -1.15 -2.87 105.19 103.85 1mdk n GLY 19 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 5.81 1.89 -4.70 1.61 8.00 -1.26 -4.15 116.55 123.75 1mdk n ASP 20 Ca 0.00 -1.65 -0.29 0.00 0.71 0.00 0.00 54.79 53.56 1mdk n ASP 20 Cb 0.00 -0.04 0.16 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.71 0.82 0.88 -1.24 1.02 -1.14 -4.77 119.74 114.60 1mdk s LYS 21 Ca 0.06 0.66 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 1mdk s LYS 21 Cb 0.04 -1.77 0.12 0.00 -0.52 0.00 0.00 37.83 35.70 1mdk s LYS 21 CO 0.05 -2.50 1.11 -1.17 -0.92 0.00 0.00 175.35 171.92 1mdk s LEU 22 N -6.35 2.66 -0.22 3.17 0.20 -1.26 -4.66 118.68 112.22 1mdk s LEU 22 Ca 0.64 1.91 -0.03 0.00 0.69 0.00 0.00 54.13 57.34 1mdk s LEU 22 Cb -0.18 -4.36 0.10 0.00 -0.43 0.00 0.00 46.19 41.31 1mdk s LEU 22 CO 0.57 -2.75 0.23 -0.69 -0.29 0.00 0.00 176.35 173.42 1mdk s VAL 23 N -2.77 -0.32 -0.16 1.68 1.01 -0.86 -2.11 120.40 116.87 1mdk s VAL 23 Ca 0.64 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1mdk s VAL 23 Cb -0.20 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1mdk s VAL 23 CO 0.58 -0.29 0.04 -0.69 0.00 0.00 0.00 175.10 174.73 1mdk s VAL 24 N 2.31 4.57 -0.08 2.92 1.01 -0.73 -0.33 120.40 130.07 1mdk s VAL 24 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1mdk s VAL 24 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1mdk s VAL 24 CO -0.18 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.68 1mdk s VAL 25 N 0.13 3.89 -0.41 2.92 1.01 0.15 -1.32 120.40 126.77 1mdk s VAL 25 Ca 0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1mdk s VAL 25 Cb -0.13 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.74 1mdk s VAL 25 CO 0.01 0.60 0.23 -0.62 0.00 0.00 0.00 175.10 175.32 1mdk s ASP 26 N -0.78 5.41 -1.15 3.32 2.15 -1.07 -2.67 116.67 121.87 1mdk s ASP 26 Ca 0.12 -1.81 -0.17 0.00 0.43 0.00 0.00 52.55 51.12 1mdk s ASP 26 Cb -0.11 -1.89 0.12 0.00 -0.30 0.00 0.00 42.92 40.74 1mdk s ASP 26 CO 0.02 -0.55 1.45 -0.36 -0.17 0.00 0.00 175.17 175.56 1mdk s PHE 27 N 1.26 3.13 0.16 -5.34 0.40 -1.15 -2.58 117.98 113.86 1mdk s PHE 27 Ca 0.05 -1.70 0.09 0.00 -0.60 0.00 0.00 56.93 54.77 1mdk s PHE 27 Cb -0.23 -4.46 -0.04 0.00 0.51 0.00 0.00 43.02 38.79 1mdk s PHE 27 CO -0.02 -1.58 -0.12 -1.12 0.70 0.00 0.00 175.22 173.08 1mdk s SER 28 N 3.60 4.15 -0.12 1.36 0.01 -1.21 -3.22 113.70 118.27 1mdk s SER 28 Ca 0.44 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 56.97 1mdk s SER 28 Cb -0.01 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1mdk s SER 28 CO -0.01 0.13 0.41 0.00 0.41 0.00 0.00 173.24 174.18 1mdk s ALA 29 N -1.50 3.53 0.35 1.44 0.00 -1.26 -4.03 121.76 120.29 1mdk s ALA 29 Ca 0.23 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 52.02 1mdk s ALA 29 Cb -0.09 -2.54 0.66 0.00 0.00 0.00 0.00 23.12 21.15 1mdk s ALA 29 CO 0.14 0.08 1.81 0.00 0.00 0.00 0.00 175.76 177.78 1mdk h THR 30 N 4.61 1.27 -0.00 0.00 1.03 -1.97 -2.69 112.91 115.15 1mdk h THR 30 Ca -0.42 -1.28 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 1mdk h THR 30 Cb 1.18 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 1mdk h THR 30 CO 0.74 0.37 -0.23 -2.67 -0.01 0.00 0.00 175.52 173.73 1mdk n TRP 31 N -4.10 0.00 -3.68 0.00 4.27 -1.26 -4.83 117.44 107.85 1mdk n TRP 31 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 1mdk n TRP 31 Cb 0.41 -0.18 -0.07 0.00 -1.36 0.00 0.00 31.31 30.10 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 6.15 -0.15 -0.05 0.00 0.00 -1.88 -2.91 103.07 104.24 1mdk h GLY 33 Ca -0.45 0.06 0.23 0.00 0.00 0.00 0.00 47.33 47.17 1mdk h GLY 33 CO 0.71 -0.06 0.61 -2.55 0.00 0.00 0.00 176.54 175.25 1mdk h PRO 34 N -0.89 0.61 0.15 4.80 0.11 -1.95 1.02 132.00 135.85 1mdk h PRO 34 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1mdk h PRO 34 Cb 0.54 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1mdk h PRO 34 CO 0.02 0.40 -0.07 0.00 -0.21 0.00 0.00 178.00 178.14 1mdk h ALA 35 N 1.69 -0.20 0.00 -0.75 0.00 -1.87 -3.18 119.26 114.95 1mdk h ALA 35 Ca 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1mdk h ALA 35 Cb 1.14 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mdk h ALA 35 CO -0.42 -0.24 -0.00 -0.22 0.00 0.00 0.00 179.25 178.37 1mdk h LYS 36 N -0.94 0.00 0.00 0.00 3.64 -1.20 -1.93 116.57 116.14 1mdk h LYS 36 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1mdk h LYS 36 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1mdk h LYS 36 CO 0.03 0.00 -0.00 1.98 -2.27 0.00 0.00 179.45 179.19 1mdk h MET 37 N 0.00 0.00 -0.63 1.90 4.05 0.11 -1.47 114.93 118.88 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 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 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 -3.37 1.46 0.06 1.77 5.41 -0.73 -4.43 119.36 119.53 1mdk n ILE 38 Ca -0.03 -0.97 -0.02 0.00 1.00 0.00 0.00 62.75 62.73 1mdk n ILE 38 Cb 0.08 0.11 0.24 0.00 -0.71 0.00 0.00 39.64 39.35 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 3.51 0.34 0.00 0.38 2.10 -1.45 -2.78 116.57 118.67 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 1.22 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1mdk h LYS 39 CO 0.18 0.62 0.00 -2.30 -2.00 0.00 0.00 179.45 175.94 1mdk n PRO 40 N -4.10 0.02 0.00 0.07 -0.02 -1.26 -2.40 135.00 127.31 1mdk n PRO 40 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1mdk n PRO 40 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.46 0.00 -0.27 6.00 3.01 -1.06 -3.85 117.46 119.83 1mdk n PHE 41 Ca 0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.45 1mdk n PHE 41 Cb 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 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 -0.86 -0.20 1.38 3.57 -1.61 0.34 116.94 119.56 1mdk h PHE 42 Ca 0.00 0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 1mdk h PHE 42 Cb 0.00 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1mdk h PHE 42 CO 0.00 -0.38 -0.34 1.25 -2.23 0.00 0.00 178.31 176.60 1mdk h HIS 43 N -0.08 0.49 -0.92 0.41 2.76 -1.72 -3.04 115.15 113.05 1mdk h HIS 43 Ca 0.30 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1mdk h HIS 43 Cb 0.57 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 1mdk h HIS 43 CO -0.71 0.72 0.55 1.03 -1.30 0.00 0.00 177.93 178.22 1mdk h SER 44 N 0.36 1.11 0.00 3.26 0.87 -0.49 -1.00 113.55 117.66 1mdk h SER 44 Ca 0.04 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1mdk h SER 44 Cb 0.78 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1mdk h SER 44 CO 0.06 0.85 0.41 -0.07 -0.53 0.00 0.00 176.83 177.56 1mdk h LEU 45 N 1.26 0.00 -2.08 2.23 3.38 -1.04 0.22 115.31 119.29 1mdk h LEU 45 Ca 0.33 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.34 1mdk h LEU 45 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1mdk h LEU 45 CO -0.06 0.00 0.11 0.28 0.09 0.00 0.00 178.44 178.86 1mdk h SER 46 N 0.00 0.00 0.41 -0.43 0.02 -1.32 0.60 113.55 112.83 1mdk h SER 46 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1mdk h SER 46 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1mdk h SER 46 CO 0.00 0.00 -1.68 -0.62 -1.14 0.00 0.00 176.83 173.39 1mdk n GLU 47 N -4.34 0.64 0.09 3.45 1.02 0.76 -3.66 120.64 118.59 1mdk n GLU 47 Ca 0.01 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1mdk n GLU 47 Cb 0.24 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.59 0.61 -3.23 3.49 4.81 -0.69 -4.47 118.16 116.09 1mdk n LYS 48 Ca -0.09 0.10 -0.24 0.00 -0.87 0.00 0.00 58.31 57.21 1mdk n LYS 48 Cb 0.72 -1.80 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 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 -2.65 0.60 0.55 5.64 4.01 0.20 -4.90 117.16 120.60 1mdk n TYR 49 Ca -0.01 -3.71 0.06 0.00 -0.16 0.00 0.00 57.90 54.08 1mdk n TYR 49 Cb 0.56 -0.40 0.29 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.16 0.00 -0.75 7.72 3.41 -1.24 -1.33 113.62 122.58 1mdk n SER 50 Ca 0.23 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1mdk n SER 50 Cb 0.51 -0.28 0.31 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 -1.28 2.32 -4.51 4.04 5.15 -1.26 -4.60 115.26 115.12 1mdk n ASN 51 Ca 0.06 -1.78 -0.30 0.00 -0.60 0.00 0.00 54.58 51.96 1mdk n ASN 51 Cb 0.09 -0.06 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.89 3.05 -0.22 3.44 1.01 -0.44 -4.57 120.40 120.78 1mdk s VAL 52 Ca 0.34 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1mdk s VAL 52 Cb 0.20 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1mdk s VAL 52 CO 0.31 0.21 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 1mdk s ILE 53 N -1.08 5.38 -0.11 2.22 -1.09 -0.90 -4.17 121.20 121.46 1mdk s ILE 53 Ca 0.18 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1mdk s ILE 53 Cb -0.11 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1mdk s ILE 53 CO 0.09 0.39 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.69 1mdk s PHE 54 N 0.70 2.76 0.43 3.97 0.08 -1.18 -1.78 117.98 122.96 1mdk s PHE 54 Ca 0.08 -0.58 0.07 0.00 0.12 0.00 0.00 56.93 56.62 1mdk s PHE 54 Cb -0.12 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1mdk s PHE 54 CO 0.01 -0.15 0.17 -0.51 -0.10 0.00 0.00 175.22 174.65 1mdk s LEU 55 N 0.12 3.02 -0.02 -0.37 1.02 -0.44 -1.95 118.68 120.07 1mdk s LEU 55 Ca -0.07 -1.15 -0.05 0.00 0.02 0.00 0.00 54.13 52.88 1mdk s LEU 55 Cb -0.15 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.73 1mdk s LEU 55 CO 0.05 -0.60 0.10 -0.70 0.02 0.00 0.00 176.35 175.22 1mdk s GLU 56 N -3.92 0.31 -0.00 1.70 2.12 -0.30 -2.61 118.70 116.00 1mdk s GLU 56 Ca 0.38 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1mdk s GLU 56 Cb 0.04 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1mdk s GLU 56 CO 0.21 -0.06 -0.01 0.08 -0.54 0.00 0.00 175.26 174.94 1mdk s VAL 57 N -0.77 0.10 -0.86 3.70 1.01 -1.07 -1.78 120.40 120.73 1mdk s VAL 57 Ca -0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1mdk s VAL 57 Cb -0.05 -0.10 0.20 0.00 0.00 0.00 0.00 36.38 36.43 1mdk s VAL 57 CO 0.01 0.04 0.86 -0.62 0.00 0.00 0.00 175.10 175.38 1mdk s ASP 58 N 0.06 6.76 0.00 3.32 2.15 -1.26 -3.33 116.67 124.37 1mdk s ASP 58 Ca -0.00 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.39 1mdk s ASP 58 Cb -0.02 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1mdk s ASP 58 CO -0.00 -0.67 0.65 1.33 -0.17 0.00 0.00 175.17 176.31 1mdk n VAL 59 N 4.25 0.84 -0.09 1.11 0.24 -1.26 0.04 118.33 123.47 1mdk n VAL 59 Ca 0.16 0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 62.67 1mdk n VAL 59 Cb 0.47 -1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 31.43 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 1.89 -0.05 -1.34 8.00 -1.26 -4.40 116.55 118.24 1mdk n ASP 60 Ca 0.00 -0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.54 1mdk n ASP 60 Cb 0.10 0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.82 1.08 -2.75 -2.24 2.03 -0.43 -4.49 116.55 106.91 1mdk n ASP 61 Ca -0.30 -1.04 -0.23 0.00 0.52 0.00 0.00 54.79 53.75 1mdk n ASP 61 Cb 0.93 0.95 -0.01 0.00 -0.72 0.00 0.00 41.12 42.27 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 -1.34 4.25 0.16 -1.67 0.00 0.11 -4.87 120.51 117.14 1mdk n ALA 62 Ca 0.04 -4.12 0.08 0.00 0.00 0.00 0.00 53.44 49.45 1mdk n ALA 62 Cb 0.34 -0.72 0.44 0.00 0.00 0.00 0.00 19.45 19.50 1mdk n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mdk n GLN 63 N -0.23 0.11 -0.07 0.00 3.00 -1.26 -1.59 117.38 117.33 1mdk n GLN 63 Ca 0.29 0.59 -0.13 0.00 -0.01 0.00 0.00 57.00 57.75 1mdk n GLN 63 Cb 0.60 -2.04 -0.06 0.00 0.00 0.00 0.00 30.24 28.75 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1mdk h ASP 64 N 0.00 0.53 -0.10 1.08 2.03 -1.94 0.49 116.42 118.50 1mdk h ASP 64 Ca 0.00 -0.46 -0.12 0.00 -0.73 0.00 0.00 57.03 55.72 1mdk h ASP 64 Cb 0.38 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1mdk h ASP 64 CO 0.00 0.88 -0.39 0.58 -1.03 0.00 0.00 179.24 179.27 1mdk h VAL 65 N 0.18 1.39 -0.53 4.15 2.07 -1.68 -2.07 116.25 119.76 1mdk h VAL 65 Ca 0.04 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 1mdk h VAL 65 Cb 0.71 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1mdk h VAL 65 CO 0.05 0.51 0.09 0.00 0.02 0.00 0.00 177.57 178.24 1mdk h ALA 66 N 0.48 1.17 -0.20 1.67 0.00 -1.55 -1.28 119.26 119.54 1mdk h ALA 66 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1mdk h ALA 66 Cb 1.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1mdk h ALA 66 CO 0.08 0.56 0.05 0.77 0.00 0.00 0.00 179.25 180.71 1mdk h SER 67 N 0.79 0.31 -0.62 0.00 0.02 0.04 0.86 113.55 114.96 1mdk h SER 67 Ca 0.17 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1mdk h SER 67 Cb 0.35 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1mdk h SER 67 CO 0.01 0.45 0.22 -0.08 -1.14 0.00 0.00 176.83 176.28 1mdk h GLU 68 N 0.14 0.97 -0.01 3.45 4.22 -1.14 -1.93 114.58 120.29 1mdk h GLU 68 Ca 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1mdk h GLU 68 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mdk h GLU 68 CO 0.00 0.82 -0.19 0.00 -2.18 0.00 0.00 179.01 177.47 1mdk n ALA 69 N -2.45 2.94 -3.63 2.92 0.00 -0.50 -4.97 120.51 114.82 1mdk n ALA 69 Ca 0.05 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.88 1mdk n ALA 69 Cb 0.20 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.63 -1.26 -2.67 0.00 1.02 0.29 -4.88 120.64 112.51 1mdk n GLU 70 Ca 0.14 0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 57.61 1mdk n GLU 70 Cb 0.33 -3.64 -0.03 0.00 -0.02 0.00 0.00 31.44 28.08 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 -3.19 4.74 0.00 2.62 1.01 -0.93 -4.89 120.40 119.76 1mdk s VAL 71 Ca 0.20 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1mdk s VAL 71 Cb -0.08 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1mdk s VAL 71 CO 0.86 0.16 0.16 0.29 0.00 0.00 0.00 175.10 176.56 1mdk n LYS 72 N 3.88 2.47 -3.69 2.72 5.02 -1.26 -5.02 118.16 122.29 1mdk n LYS 72 Ca 0.06 -0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 1mdk n LYS 72 Cb 0.50 -0.58 -0.11 0.00 -0.02 0.00 0.00 35.03 34.83 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 -0.40 -1.10 0.19 7.82 0.00 -1.26 -5.17 121.76 121.84 1mdk s ALA 73 Ca 0.00 1.59 0.09 0.00 0.00 0.00 0.00 51.96 53.63 1mdk s ALA 73 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1mdk s ALA 73 CO 0.00 -0.29 -0.17 0.95 0.00 0.00 0.00 175.76 176.25 1mdk s THR 74 N 1.46 1.90 0.27 0.00 -4.23 -1.26 -3.88 115.64 109.89 1mdk s THR 74 Ca -0.09 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.03 1mdk s THR 74 Cb -0.08 -1.98 -0.09 0.00 1.34 0.00 0.00 72.50 71.68 1mdk s THR 74 CO -0.13 -0.41 1.15 -2.16 -0.54 0.00 0.00 174.62 172.52 1mdk s PRO 75 N -3.18 4.57 -0.35 3.99 0.04 -1.26 -4.77 135.00 134.05 1mdk s PRO 75 Ca 0.20 1.88 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 1mdk s PRO 75 Cb -0.04 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.35 1mdk s PRO 75 CO 0.08 0.09 0.13 0.99 0.04 0.00 0.00 177.00 178.33 1mdk s THR 76 N -0.91 3.99 -0.27 1.26 2.01 -1.20 -3.22 115.64 117.31 1mdk s THR 76 Ca 0.47 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 1mdk s THR 76 Cb -0.33 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1mdk s THR 76 CO 0.42 -0.19 0.72 -0.36 -0.69 0.00 0.00 174.62 174.51 1mdk s PHE 77 N 1.44 3.26 -0.04 4.92 0.08 -0.59 -2.92 117.98 124.13 1mdk s PHE 77 Ca -0.01 0.86 0.06 0.00 0.12 0.00 0.00 56.93 57.96 1mdk s PHE 77 Cb -0.19 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.23 1mdk s PHE 77 CO 0.04 -0.42 -0.20 -0.65 -0.10 0.00 0.00 175.22 173.88 1mdk s GLN 78 N 2.71 2.34 -0.11 0.44 -0.21 -1.09 -0.26 119.66 123.48 1mdk s GLN 78 Ca 0.30 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.85 1mdk s GLN 78 Cb -0.15 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 1mdk s GLN 78 CO 0.10 0.57 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.70 1mdk s PHE 79 N -0.62 2.93 0.14 0.91 0.40 -0.49 -0.68 117.98 120.58 1mdk s PHE 79 Ca 0.09 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1mdk s PHE 79 Cb -0.11 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1mdk s PHE 79 CO 0.00 0.06 -0.14 -0.06 0.70 0.00 0.00 175.22 175.78 1mdk s PHE 80 N -0.09 1.48 -0.24 0.36 0.40 0.55 -2.44 117.98 117.99 1mdk s PHE 80 Ca 0.01 -0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 1mdk s PHE 80 Cb -0.13 -0.75 0.10 0.00 0.51 0.00 0.00 43.02 42.75 1mdk s PHE 80 CO 0.03 0.19 0.52 0.21 0.70 0.00 0.00 175.22 176.87 1mdk s LYS 81 N -2.99 0.45 -1.45 0.44 2.20 0.19 -2.04 119.74 116.54 1mdk s LYS 81 Ca 0.13 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.88 1mdk s LYS 81 Cb -0.03 0.49 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 1mdk s LYS 81 CO 0.04 -0.22 0.39 1.63 -0.36 0.00 0.00 175.35 176.83 1mdk n LYS 82 N 5.24 -3.61 -0.98 4.03 5.02 -1.26 -0.05 118.16 126.55 1mdk n LYS 82 Ca -0.12 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1mdk n LYS 82 Cb 0.50 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.25 0.67 3.55 0.72 0.00 -1.26 -5.01 105.19 102.61 1mdk n GLY 83 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.13 2.34 0.17 1.61 -0.21 0.92 -5.11 119.66 119.25 1mdk s GLN 84 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 55.36 54.31 1mdk s GLN 84 Cb 0.00 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.56 1mdk s GLN 84 CO 0.00 0.57 0.72 0.21 -2.12 0.00 0.00 175.29 174.67 1mdk s LYS 85 N -1.54 4.39 0.00 2.91 2.20 -1.26 0.54 119.74 126.97 1mdk s LYS 85 Ca 0.17 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1mdk s LYS 85 Cb -0.11 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1mdk s LYS 85 CO 0.08 0.52 0.00 1.33 -0.36 0.00 0.00 175.35 176.91 1mdk n VAL 86 N 1.29 0.00 -3.84 4.02 0.24 -1.02 -4.92 118.33 114.10 1mdk n VAL 86 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 1mdk n VAL 86 Cb 0.50 -0.76 0.02 0.00 -1.47 0.00 0.00 33.84 32.12 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 3.15 0.67 3.58 7.63 0.00 -1.25 -5.05 105.19 113.92 1mdk n GLY 87 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.04 0.40 -0.29 1.61 -1.05 -1.26 -1.39 118.70 114.68 1mdk s GLU 88 Ca 0.20 -0.09 -0.16 0.00 -0.15 0.00 0.00 54.97 54.77 1mdk s GLU 88 Cb -0.02 0.18 0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1mdk s GLU 88 CO 0.04 -0.16 0.96 -0.59 0.95 0.00 0.00 175.26 176.46 1mdk s PHE 89 N -2.14 -0.60 0.00 4.83 -0.12 0.64 -5.00 117.98 115.59 1mdk s PHE 89 Ca 0.07 1.21 0.00 0.00 -0.05 0.00 0.00 56.93 58.16 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 -0.30 0.00 -1.13 -0.05 0.00 0.00 175.22 173.70 1mdk n SER 90 N 3.67 0.26 -0.48 1.98 3.41 -1.26 -1.54 113.62 119.66 1mdk n SER 90 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1mdk n SER 90 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 -3.51 3.52 5.00 0.00 -1.20 -4.68 105.19 109.32 1mdk n GLY 91 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 0.08 0.62 -3.34 4.61 0.00 -1.26 -4.76 120.51 116.45 1mdk n ALA 92 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 53.44 52.42 1mdk n ALA 92 Cb 0.00 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 16.65 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 12.14 -0.16 -0.25 0.00 2.85 -1.26 -4.97 115.26 123.60 1mdk n ASN 93 Ca 0.56 -2.50 -0.08 0.00 -0.11 0.00 0.00 54.58 52.45 1mdk n ASN 93 Cb 0.25 -0.58 0.04 0.00 1.24 0.00 0.00 39.78 40.73 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 5.10 1.13 0.00 1.20 2.10 -1.98 -2.59 116.57 121.53 1mdk h LYS 94 Ca 0.20 -0.28 -0.04 0.00 -2.00 0.00 0.00 60.65 58.53 1mdk h LYS 94 Cb 0.89 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 1mdk h LYS 94 CO 0.41 1.01 -0.19 0.93 -2.00 0.00 0.00 179.45 179.61 1mdk h GLU 95 N 1.06 0.00 -0.15 0.07 5.08 -2.00 -2.24 114.58 116.39 1mdk h GLU 95 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1mdk h GLU 95 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1mdk h GLU 95 CO 0.01 0.19 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.64 1mdk h LYS 96 N 0.00 0.31 -0.98 2.33 3.64 -1.88 -2.49 116.57 117.51 1mdk h LYS 96 Ca -0.00 -0.13 0.24 0.00 -1.27 0.00 0.00 60.65 59.49 1mdk h LYS 96 Cb 0.44 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 1mdk h LYS 96 CO 0.02 0.62 0.65 -0.07 -2.27 0.00 0.00 179.45 178.41 1mdk h LEU 97 N 0.27 0.36 0.44 5.20 3.38 -1.39 0.20 115.31 123.76 1mdk h LEU 97 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1mdk h LEU 97 CO 0.06 0.11 -0.21 -0.08 0.09 0.00 0.00 178.44 178.40 1mdk h GLU 98 N 0.34 -0.57 -0.93 1.13 4.22 -1.57 -0.95 114.58 116.25 1mdk h GLU 98 Ca 0.52 0.04 0.03 0.00 0.08 0.00 0.00 59.36 60.03 1mdk h GLU 98 Cb 1.43 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.76 1mdk h GLU 98 CO -0.20 -0.26 0.61 0.00 -2.18 0.00 0.00 179.01 176.98 1mdk h ALA 99 N -0.63 1.21 -0.13 2.92 0.00 -1.26 -0.46 119.26 120.92 1mdk h ALA 99 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1mdk h ALA 99 Cb 0.57 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1mdk h ALA 99 CO 0.10 0.50 -0.02 1.15 0.00 0.00 0.00 179.25 180.98 1mdk h THR 100 N 1.19 1.27 -0.11 0.00 2.02 -0.68 -1.55 112.91 115.06 1mdk h THR 100 Ca 0.36 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1mdk h THR 100 Cb -0.04 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1mdk h THR 100 CO -0.11 0.26 0.06 0.40 0.37 0.00 0.00 175.52 176.51 1mdk h ILE 101 N -0.05 1.08 0.00 3.11 2.04 -0.94 -0.63 117.51 122.13 1mdk h ILE 101 Ca 0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1mdk h ILE 101 Cb 0.42 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1mdk h ILE 101 CO 0.01 0.07 0.00 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N 0.10 0.00 0.08 1.72 -0.73 -1.06 -0.72 115.58 114.97 1mdk h ASN 102 Ca 0.04 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1mdk h ASN 102 Cb 0.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1mdk h ASN 102 CO -0.01 0.00 -0.04 -0.08 -0.37 0.00 0.00 177.43 176.93 1mdk h GLU 103 N 0.00 -0.10 -0.73 6.67 4.81 -0.06 -3.33 114.58 121.83 1mdk h GLU 103 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1mdk h GLU 103 Cb 0.10 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1mdk h GLU 103 CO 0.00 0.05 0.00 1.28 -0.73 0.00 0.00 179.01 179.61 1mdk n LEU 104 N -4.84 3.56 0.00 1.64 4.77 -0.93 -5.11 117.00 116.09 1mdk n LEU 104 Ca -0.03 -1.80 0.04 0.00 -0.03 0.00 0.00 56.01 54.19 1mdk n LEU 104 Cb 0.10 -0.58 0.24 0.00 -2.33 0.00 0.00 43.42 40.85 1mdk n LEU 104 CO 0.08 0.47 0.46 0.55 -1.33 0.00 0.00 177.39 177.62