#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 3.71 -0.22 2.03 1.01 -1.26 -2.83 120.40 122.84 1mdk s VAL 2 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1mdk s VAL 2 Cb 0.00 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.11 1mdk s VAL 2 CO 0.00 -0.23 0.52 -0.75 0.00 0.00 0.00 175.10 174.64 1mdk s LYS 3 N -4.53 0.48 -0.02 2.72 2.47 -0.56 -4.94 119.74 115.35 1mdk s LYS 3 Ca 0.50 1.07 -0.18 0.00 -1.56 0.00 0.00 55.97 55.79 1mdk s LYS 3 Cb -0.10 0.26 -0.05 0.00 -1.46 0.00 0.00 37.83 36.48 1mdk s LYS 3 CO 0.37 -0.19 0.52 -1.14 0.16 0.00 0.00 175.35 175.06 1mdk s GLN 4 N 2.04 4.22 -0.29 4.03 0.74 -1.26 -1.37 119.66 127.77 1mdk s GLN 4 Ca -0.07 0.58 -0.05 0.00 0.05 0.00 0.00 55.36 55.87 1mdk s GLN 4 Cb -0.09 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.71 1mdk s GLN 4 CO -0.15 0.42 0.05 0.42 -0.55 0.00 0.00 175.29 175.48 1mdk s ILE 5 N -0.30 3.68 -0.59 -2.34 -1.09 -0.54 -4.90 121.20 115.12 1mdk s ILE 5 Ca 0.28 -0.86 0.18 0.00 -2.23 0.00 0.00 60.65 58.02 1mdk s ILE 5 Cb -0.17 -2.93 -0.22 0.00 -1.58 0.00 0.00 42.46 37.56 1mdk s ILE 5 CO 0.15 0.05 0.65 -0.62 -1.23 0.00 0.00 174.94 173.94 1mdk n GLU 6 N 4.81 0.96 -3.67 2.79 1.02 -1.26 -4.31 120.64 120.98 1mdk n GLU 6 Ca -0.14 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.83 1mdk n GLU 6 Cb 0.47 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 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 -3.11 -0.24 0.47 1.62 1.04 -1.26 -4.65 113.70 107.57 1mdk s SER 7 Ca 0.03 -0.16 0.22 0.00 0.48 0.00 0.00 55.95 56.51 1mdk s SER 7 Cb 0.13 0.44 1.24 0.00 0.10 0.00 0.00 66.02 67.92 1mdk s SER 7 CO 0.74 -0.74 1.91 0.50 0.98 0.00 0.00 173.24 176.63 1mdk h LYS 8 N 2.76 0.22 -0.60 4.02 3.64 -1.93 0.02 116.57 124.70 1mdk h LYS 8 Ca -0.32 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1mdk h LYS 8 Cb 1.22 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1mdk h LYS 8 CO 0.45 0.15 0.38 1.15 -2.27 0.00 0.00 179.45 179.31 1mdk h THR 9 N 0.23 1.09 0.00 1.00 2.02 -2.01 -1.15 112.91 114.09 1mdk h THR 9 Ca 0.39 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1mdk h THR 9 Cb 1.20 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1mdk h THR 9 CO -0.09 0.14 -0.37 0.00 0.37 0.00 0.00 175.52 175.57 1mdk h ALA 10 N 1.25 1.13 -0.29 6.16 0.00 -1.41 -2.65 119.26 123.45 1mdk h ALA 10 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mdk h ALA 10 Cb -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mdk h ALA 10 CO -0.09 0.46 0.00 0.34 0.00 0.00 0.00 179.25 179.96 1mdk n PHE 11 N -3.72 0.00 -0.29 0.00 7.35 -0.45 -0.04 117.46 120.31 1mdk n PHE 11 Ca -0.01 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.72 1mdk n PHE 11 Cb 0.46 -0.45 0.18 0.00 0.35 0.00 0.00 39.48 40.01 1mdk n PHE 11 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1mdk h GLN 12 N 0.00 0.72 -0.82 -4.13 3.07 -1.60 0.58 115.11 112.94 1mdk h GLN 12 Ca 0.00 -0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.74 1mdk h GLN 12 Cb 0.00 -0.16 -0.05 0.00 0.08 0.00 0.00 27.48 27.35 1mdk h GLN 12 CO 0.00 0.48 0.54 0.93 0.09 0.00 0.00 178.83 180.87 1mdk h GLU 13 N 0.74 0.95 -0.40 0.06 4.39 -1.42 -0.00 114.58 118.90 1mdk h GLU 13 Ca 0.41 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1mdk h GLU 13 Cb 0.42 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1mdk h GLU 13 CO -0.27 0.63 0.23 0.00 -1.16 0.00 0.00 179.01 178.44 1mdk h ALA 14 N 1.53 0.51 -0.74 3.43 0.00 0.19 0.60 119.26 124.77 1mdk h ALA 14 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1mdk h ALA 14 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1mdk h ALA 14 CO -0.11 0.02 0.27 -0.07 0.00 0.00 0.00 179.25 179.36 1mdk h LEU 15 N 0.52 1.05 -0.57 0.00 3.38 -0.83 0.34 115.31 119.21 1mdk h LEU 15 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1mdk h LEU 15 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1mdk h LEU 15 CO -0.03 0.96 0.19 -0.78 0.09 0.00 0.00 178.44 178.87 1mdk h ASP 16 N 1.09 0.82 1.32 -0.43 3.58 -0.51 -2.03 116.42 120.25 1mdk h ASP 16 Ca 0.24 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1mdk h ASP 16 Cb 0.26 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1mdk h ASP 16 CO -0.01 0.80 0.00 0.00 -2.88 0.00 0.00 179.24 177.15 1mdk n ALA 17 N -2.38 2.26 0.57 -0.78 0.00 0.16 -3.12 120.51 117.21 1mdk n ALA 17 Ca 0.03 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1mdk n ALA 17 Cb 0.20 -1.46 0.31 0.00 0.00 0.00 0.00 19.45 18.49 1mdk n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdk n ALA 18 N -1.71 1.72 -0.51 0.00 0.00 0.12 -4.92 120.51 115.20 1mdk n ALA 18 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mdk n ALA 18 Cb 0.40 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.21 2.51 0.00 0.00 0.00 -1.18 -3.14 105.19 103.16 1mdk n GLY 19 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 9.92 0.29 -4.70 1.61 8.00 -1.26 -4.41 116.55 125.99 1mdk n ASP 20 Ca 0.00 -1.09 -0.29 0.00 0.71 0.00 0.00 54.79 54.12 1mdk n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.09 0.66 0.92 -1.24 1.02 -1.19 -4.75 119.74 115.07 1mdk s LYS 21 Ca 0.00 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 56.37 1mdk s LYS 21 Cb 0.00 -1.77 0.15 0.00 -0.52 0.00 0.00 37.83 35.69 1mdk s LYS 21 CO 0.00 -2.57 1.11 -1.17 -0.92 0.00 0.00 175.35 171.80 1mdk s LEU 22 N -6.34 2.45 -0.21 3.17 0.20 -1.26 -4.67 118.68 112.02 1mdk s LEU 22 Ca 0.65 1.87 -0.04 0.00 0.69 0.00 0.00 54.13 57.30 1mdk s LEU 22 Cb -0.18 -4.25 0.09 0.00 -0.43 0.00 0.00 46.19 41.43 1mdk s LEU 22 CO 0.57 -2.97 0.21 -0.69 -0.29 0.00 0.00 176.35 173.18 1mdk s VAL 23 N -2.73 -0.30 -0.16 1.68 1.01 -0.89 -2.14 120.40 116.87 1mdk s VAL 23 Ca 0.65 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1mdk s VAL 23 Cb -0.21 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1mdk s VAL 23 CO 0.58 -0.25 0.07 -0.69 0.00 0.00 0.00 175.10 174.82 1mdk s VAL 24 N 2.31 4.88 -0.13 2.92 1.01 -0.72 -0.82 120.40 129.84 1mdk s VAL 24 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1mdk s VAL 24 Cb -0.16 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1mdk s VAL 24 CO -0.14 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1mdk s VAL 25 N 0.04 3.28 -0.40 2.92 1.01 0.36 -1.43 120.40 126.17 1mdk s VAL 25 Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1mdk s VAL 25 Cb -0.12 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.93 1mdk s VAL 25 CO 0.01 0.53 0.25 -0.62 0.00 0.00 0.00 175.10 175.26 1mdk s ASP 26 N 0.20 5.75 -1.18 3.32 2.15 -1.16 -2.13 116.67 123.62 1mdk s ASP 26 Ca -0.06 -1.23 -0.15 0.00 0.43 0.00 0.00 52.55 51.54 1mdk s ASP 26 Cb -0.15 -2.03 0.16 0.00 -0.30 0.00 0.00 42.92 40.60 1mdk s ASP 26 CO 0.04 -0.48 1.43 -0.36 -0.17 0.00 0.00 175.17 175.63 1mdk s PHE 27 N 1.51 3.39 0.15 -5.34 0.40 -0.93 -2.54 117.98 114.62 1mdk s PHE 27 Ca 0.02 -2.00 0.08 0.00 -0.60 0.00 0.00 56.93 54.44 1mdk s PHE 27 Cb -0.21 -4.35 -0.04 0.00 0.51 0.00 0.00 43.02 38.92 1mdk s PHE 27 CO 0.05 -1.45 -0.10 -1.12 0.70 0.00 0.00 175.22 173.30 1mdk s SER 28 N 3.06 4.31 -0.22 1.36 0.01 -1.19 -3.09 113.70 117.95 1mdk s SER 28 Ca 0.43 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 57.02 1mdk s SER 28 Cb -0.02 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1mdk s SER 28 CO -0.00 0.14 0.48 0.00 0.41 0.00 0.00 173.24 174.26 1mdk s ALA 29 N -1.47 3.56 0.37 1.44 0.00 -1.26 -4.18 121.76 120.21 1mdk s ALA 29 Ca 0.23 -0.51 0.37 0.00 0.00 0.00 0.00 51.96 52.05 1mdk s ALA 29 Cb -0.10 -2.78 1.78 0.00 0.00 0.00 0.00 23.12 22.02 1mdk s ALA 29 CO 0.14 -0.49 2.14 0.00 0.00 0.00 0.00 175.76 177.55 1mdk h THR 30 N 5.18 0.10 0.00 0.00 1.03 -1.98 -1.83 112.91 115.42 1mdk h THR 30 Ca -0.33 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 1mdk h THR 30 Cb 1.15 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 1mdk h THR 30 CO 0.72 0.02 -0.86 4.11 -0.01 0.00 0.00 175.52 179.50 1mdk h TRP 31 N 0.00 0.00 -3.16 0.00 5.08 -2.03 -3.46 115.95 112.37 1mdk h TRP 31 Ca -0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 1mdk h TRP 31 Cb 0.30 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.41 1mdk h TRP 31 CO 0.00 0.00 -0.18 0.00 -1.28 0.00 0.00 178.44 176.98 1mdk h GLY 33 N 3.87 0.00 -0.25 0.00 0.00 -1.89 -3.17 103.07 101.63 1mdk h GLY 33 Ca -0.49 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.08 1mdk h GLY 33 CO 0.65 0.00 0.47 -2.55 0.00 0.00 0.00 176.54 175.11 1mdk h PRO 34 N -1.00 0.42 0.19 4.80 0.11 -1.95 1.32 132.00 135.89 1mdk h PRO 34 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1mdk h PRO 34 Cb 0.44 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1mdk h PRO 34 CO -0.02 0.28 -0.09 0.00 -0.21 0.00 0.00 178.00 177.95 1mdk h ALA 35 N 1.74 -0.26 0.00 -0.75 0.00 -1.86 -3.21 119.26 114.93 1mdk h ALA 35 Ca 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1mdk h ALA 35 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1mdk h ALA 35 CO -0.53 -0.26 0.03 -0.22 0.00 0.00 0.00 179.25 178.27 1mdk h LYS 36 N -1.04 0.00 0.00 0.00 3.64 -1.41 -1.82 116.57 115.94 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 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1mdk h LYS 36 CO 0.04 0.00 0.03 1.98 -2.27 0.00 0.00 179.45 179.23 1mdk h MET 37 N 0.00 0.00 -0.67 1.90 4.05 0.17 -0.85 114.93 119.54 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 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 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 -2.81 1.74 -0.02 1.77 5.41 -0.68 -4.47 119.36 120.29 1mdk n ILE 38 Ca -0.02 -1.18 -0.01 0.00 1.00 0.00 0.00 62.75 62.54 1mdk n ILE 38 Cb 0.08 0.18 0.26 0.00 -0.71 0.00 0.00 39.64 39.45 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 4.15 0.57 0.00 0.38 2.10 -1.34 -2.63 116.57 119.81 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 1.40 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1mdk h LYS 39 CO 0.20 0.61 0.00 -2.30 -2.00 0.00 0.00 179.45 175.96 1mdk n PRO 40 N -4.26 0.15 -0.01 0.07 -0.02 -1.26 -1.86 135.00 127.82 1mdk n PRO 40 Ca 0.02 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 1mdk n PRO 40 Cb 0.26 -1.95 -0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.26 0.01 -0.26 6.00 3.01 -1.00 -3.47 117.46 119.49 1mdk n PHE 41 Ca -0.01 0.01 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 1mdk n PHE 41 Cb 0.07 -0.09 0.06 0.00 -0.01 0.00 0.00 39.48 39.51 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 -0.06 -0.62 -0.28 1.38 3.57 -1.56 0.37 116.94 119.73 1mdk h PHE 42 Ca 0.00 0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1mdk h PHE 42 Cb 0.06 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1mdk h PHE 42 CO -0.02 -0.35 -0.26 1.25 -2.23 0.00 0.00 178.31 176.70 1mdk h HIS 43 N -0.05 0.62 -0.72 0.41 2.76 -1.62 -2.97 115.15 113.58 1mdk h HIS 43 Ca 0.33 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1mdk h HIS 43 Cb 0.56 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 1mdk h HIS 43 CO -0.64 0.75 0.46 0.77 -1.30 0.00 0.00 177.93 177.97 1mdk h SER 44 N 0.48 0.84 -0.13 3.26 0.02 -0.38 -0.74 113.55 116.90 1mdk h SER 44 Ca 0.07 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1mdk h SER 44 Cb 0.70 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1mdk h SER 44 CO 0.05 0.63 0.42 -0.07 -1.14 0.00 0.00 176.83 176.72 1mdk h LEU 45 N 0.98 0.00 -1.77 5.07 3.38 -0.95 0.17 115.31 122.20 1mdk h LEU 45 Ca 0.26 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.31 1mdk h LEU 45 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1mdk h LEU 45 CO -0.05 0.00 0.30 0.28 0.09 0.00 0.00 178.44 179.06 1mdk h SER 46 N 0.00 0.25 0.50 -0.43 0.02 -1.23 0.72 113.55 113.38 1mdk h SER 46 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1mdk h SER 46 Cb 0.89 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1mdk h SER 46 CO -0.00 0.16 -1.44 -0.62 -1.14 0.00 0.00 176.83 173.78 1mdk n GLU 47 N -4.47 0.60 0.08 3.45 -0.58 0.58 -3.66 120.64 116.64 1mdk n GLU 47 Ca 0.06 -0.03 0.10 0.00 -0.42 0.00 0.00 57.16 56.87 1mdk n GLU 47 Cb 0.31 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mdk n LYS 48 N -2.43 0.61 -3.23 3.49 4.81 -0.56 -4.46 118.16 116.40 1mdk n LYS 48 Ca -0.02 0.10 -0.24 0.00 -0.87 0.00 0.00 58.31 57.28 1mdk n LYS 48 Cb 0.55 -1.79 -0.07 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.66 1.06 0.57 5.64 4.01 0.24 -4.90 117.16 121.12 1mdk n TYR 49 Ca -0.02 -3.78 0.05 0.00 -0.16 0.00 0.00 57.90 53.99 1mdk n TYR 49 Cb 0.59 -0.42 0.29 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.99 0.00 -0.66 7.72 3.41 -1.24 -1.25 113.62 122.60 1mdk n SER 50 Ca 0.25 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1mdk n SER 50 Cb 0.51 -0.19 0.32 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.19 2.09 -4.44 4.04 2.85 -1.26 -4.53 115.26 112.82 1mdk n ASN 51 Ca 0.06 -1.66 -0.29 0.00 -0.11 0.00 0.00 54.58 52.58 1mdk n ASN 51 Cb 0.07 0.03 -0.12 0.00 1.24 0.00 0.00 39.78 41.00 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 -2.05 2.56 -0.21 3.44 1.01 -0.38 -4.55 120.40 120.22 1mdk s VAL 52 Ca 0.32 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 1mdk s VAL 52 Cb 0.20 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1mdk s VAL 52 CO 0.34 0.11 0.13 -0.63 0.00 0.00 0.00 175.10 175.06 1mdk s ILE 53 N -1.09 5.33 -0.11 2.22 -1.09 -0.91 -3.95 121.20 121.60 1mdk s ILE 53 Ca 0.16 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 1mdk s ILE 53 Cb -0.10 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1mdk s ILE 53 CO 0.08 0.42 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.71 1mdk s PHE 54 N 0.52 2.77 0.48 3.97 0.08 -1.13 -1.76 117.98 122.91 1mdk s PHE 54 Ca 0.07 -0.59 0.04 0.00 0.12 0.00 0.00 56.93 56.58 1mdk s PHE 54 Cb -0.12 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1mdk s PHE 54 CO -0.00 -0.16 0.15 -0.51 -0.10 0.00 0.00 175.22 174.60 1mdk s LEU 55 N 0.15 2.67 -0.02 -0.37 1.02 -0.51 -1.50 118.68 120.12 1mdk s LEU 55 Ca -0.08 -1.37 -0.06 0.00 0.02 0.00 0.00 54.13 52.64 1mdk s LEU 55 Cb -0.15 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.02 1mdk s LEU 55 CO 0.05 -0.79 0.13 -0.70 0.02 0.00 0.00 176.35 175.06 1mdk s GLU 56 N -3.96 0.32 -0.00 1.70 2.12 -0.47 -3.01 118.70 115.39 1mdk s GLU 56 Ca 0.25 -0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 1mdk s GLU 56 Cb 0.02 0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 1mdk s GLU 56 CO 0.14 -0.06 0.01 0.08 -0.54 0.00 0.00 175.26 174.89 1mdk s VAL 57 N -0.66 0.01 -0.54 3.70 1.01 -1.05 -1.47 120.40 121.40 1mdk s VAL 57 Ca -0.07 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1mdk s VAL 57 Cb -0.04 -0.04 0.12 0.00 0.00 0.00 0.00 36.38 36.42 1mdk s VAL 57 CO 0.01 -0.03 0.51 -0.62 0.00 0.00 0.00 175.10 174.97 1mdk s ASP 58 N -0.10 6.19 0.20 3.32 2.15 -1.26 -3.20 116.67 123.97 1mdk s ASP 58 Ca -0.01 -1.71 0.11 0.00 0.43 0.00 0.00 52.55 51.37 1mdk s ASP 58 Cb -0.01 -2.22 0.59 0.00 -0.30 0.00 0.00 42.92 40.99 1mdk s ASP 58 CO -0.00 -0.87 1.27 1.33 -0.17 0.00 0.00 175.17 176.73 1mdk n VAL 59 N 5.28 1.13 -0.13 1.11 0.24 -1.26 0.52 118.33 125.23 1mdk n VAL 59 Ca -0.13 0.65 -0.20 0.00 -2.04 0.00 0.00 64.34 62.61 1mdk n VAL 59 Cb 0.41 -1.65 -0.11 0.00 -1.47 0.00 0.00 33.84 31.02 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 -1.87 2.02 0.00 -1.34 8.00 -1.26 -4.05 116.55 118.05 1mdk n ASP 60 Ca -0.01 -0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1mdk n ASP 60 Cb 0.14 -0.50 0.13 0.00 -0.02 0.00 0.00 41.12 40.87 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 0.65 -2.42 -2.24 2.03 -0.99 -4.16 116.55 105.93 1mdk n ASP 61 Ca -0.46 -0.45 -0.21 0.00 0.52 0.00 0.00 54.79 54.19 1mdk n ASP 61 Cb 0.94 0.50 0.01 0.00 -0.72 0.00 0.00 41.12 41.86 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 -1.53 4.59 0.15 -1.67 0.00 0.19 -4.83 120.51 117.40 1mdk n ALA 62 Ca 0.05 -3.87 0.08 0.00 0.00 0.00 0.00 53.44 49.69 1mdk n ALA 62 Cb 0.34 -0.58 0.42 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.48 0.10 -0.10 0.00 6.02 -1.26 -1.13 117.38 120.54 1mdk n GLN 63 Ca 0.33 0.58 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1mdk n GLN 63 Cb 0.78 -1.98 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1mdk h ASP 64 N 0.00 0.91 -0.04 1.08 3.04 -1.92 0.26 116.42 119.75 1mdk h ASP 64 Ca 0.00 -0.50 -0.09 0.00 -3.24 0.00 0.00 57.03 53.20 1mdk h ASP 64 Cb 0.30 -0.26 0.01 0.00 -1.04 0.00 0.00 39.33 38.34 1mdk h ASP 64 CO 0.00 1.23 -0.33 0.58 -2.04 0.00 0.00 179.24 178.68 1mdk h VAL 65 N 0.62 1.46 -0.16 4.15 2.07 -1.51 -2.82 116.25 120.07 1mdk h VAL 65 Ca 0.04 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1mdk h VAL 65 Cb 1.01 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1mdk h VAL 65 CO 0.10 0.52 -0.10 0.00 0.02 0.00 0.00 177.57 178.10 1mdk h ALA 66 N 0.37 1.55 0.20 1.67 0.00 -1.55 -1.56 119.26 119.94 1mdk h ALA 66 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1mdk h ALA 66 Cb 1.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mdk h ALA 66 CO 0.07 0.33 -0.09 0.77 0.00 0.00 0.00 179.25 180.32 1mdk h SER 67 N 0.23 -0.22 -0.28 0.00 0.02 -0.43 0.67 113.55 113.54 1mdk h SER 67 Ca 0.05 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1mdk h SER 67 Cb 0.33 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1mdk h SER 67 CO 0.02 0.00 0.08 -0.08 -1.14 0.00 0.00 176.83 175.71 1mdk h GLU 68 N -0.45 0.53 -0.01 3.45 4.22 -1.29 -0.67 114.58 120.36 1mdk h GLU 68 Ca -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1mdk h GLU 68 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1mdk h GLU 68 CO 0.04 0.49 -0.02 0.00 -2.18 0.00 0.00 179.01 177.34 1mdk n ALA 69 N -2.48 2.65 -4.08 2.92 0.00 -0.60 -4.93 120.51 113.98 1mdk n ALA 69 Ca 0.02 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 1mdk n ALA 69 Cb 0.19 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.24 -2.24 -2.67 0.00 1.02 0.22 -4.87 120.64 111.87 1mdk n GLU 70 Ca 0.19 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 57.19 1mdk n GLU 70 Cb 0.29 -4.09 -0.03 0.00 -0.02 0.00 0.00 31.44 27.59 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 -4.09 4.74 0.00 2.62 1.01 -0.59 -4.89 120.40 119.20 1mdk s VAL 71 Ca 0.03 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1mdk s VAL 71 Cb -0.02 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1mdk s VAL 71 CO 0.93 0.15 0.69 0.29 0.00 0.00 0.00 175.10 177.16 1mdk n LYS 72 N 3.94 1.28 -3.70 2.72 5.02 -1.26 -4.94 118.16 121.22 1mdk n LYS 72 Ca 0.07 -0.92 -0.11 0.00 -2.02 0.00 0.00 58.31 55.32 1mdk n LYS 72 Cb 0.50 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.45 -1.09 0.13 7.82 0.00 -1.26 -5.17 121.76 121.75 1mdk s ALA 73 Ca 0.00 1.45 0.11 0.00 0.00 0.00 0.00 51.96 53.52 1mdk s ALA 73 Cb 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1mdk s ALA 73 CO 0.00 -0.25 -0.27 0.95 0.00 0.00 0.00 175.76 176.20 1mdk s THR 74 N 0.97 2.22 0.40 0.00 -4.23 -1.26 -3.82 115.64 109.92 1mdk s THR 74 Ca -0.06 -1.75 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1mdk s THR 74 Cb -0.06 -1.97 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 1mdk s THR 74 CO -0.08 0.08 0.99 -2.16 -0.54 0.00 0.00 174.62 172.91 1mdk s PRO 75 N -2.06 4.24 -0.22 3.99 0.04 -1.26 -4.76 135.00 134.97 1mdk s PRO 75 Ca 0.14 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 1mdk s PRO 75 Cb -0.10 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1mdk s PRO 75 CO 0.06 -0.05 -0.12 0.99 0.04 0.00 0.00 177.00 177.93 1mdk s THR 76 N -1.84 2.52 -0.24 1.26 2.01 -1.18 -3.11 115.64 115.07 1mdk s THR 76 Ca 0.58 -1.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 1mdk s THR 76 Cb -0.17 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1mdk s THR 76 CO 0.21 0.30 0.47 -0.36 -0.69 0.00 0.00 174.62 174.56 1mdk s PHE 77 N 1.29 3.31 -0.05 4.92 0.08 -0.51 -2.18 117.98 124.84 1mdk s PHE 77 Ca 0.01 0.63 0.06 0.00 0.12 0.00 0.00 56.93 57.76 1mdk s PHE 77 Cb -0.16 -2.65 -0.02 0.00 -0.57 0.00 0.00 43.02 39.63 1mdk s PHE 77 CO -0.07 -0.18 -0.24 -0.65 -0.10 0.00 0.00 175.22 173.98 1mdk s GLN 78 N 1.91 2.41 -0.15 0.44 -0.21 -0.90 -0.43 119.66 122.72 1mdk s GLN 78 Ca 0.21 -0.88 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 1mdk s GLN 78 Cb -0.15 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 1mdk s GLN 78 CO 0.09 0.47 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.58 1mdk s PHE 79 N -0.38 2.91 0.20 0.91 0.40 -0.74 -0.49 117.98 120.79 1mdk s PHE 79 Ca 0.03 -0.57 0.07 0.00 -0.60 0.00 0.00 56.93 55.87 1mdk s PHE 79 Cb -0.12 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1mdk s PHE 79 CO 0.02 -0.20 -0.14 -0.06 0.70 0.00 0.00 175.22 175.54 1mdk s PHE 80 N 0.51 1.66 -0.23 0.36 0.08 -0.00 -2.27 117.98 118.10 1mdk s PHE 80 Ca -0.06 -0.59 -0.09 0.00 0.12 0.00 0.00 56.93 56.31 1mdk s PHE 80 Cb -0.15 -0.78 0.09 0.00 -0.57 0.00 0.00 43.02 41.62 1mdk s PHE 80 CO 0.03 0.33 0.51 0.21 -0.10 0.00 0.00 175.22 176.20 1mdk s LYS 81 N -3.63 0.45 -1.76 0.44 2.20 0.14 -2.10 119.74 115.48 1mdk s LYS 81 Ca 0.22 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1mdk s LYS 81 Cb -0.01 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1mdk s LYS 81 CO 0.06 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1mdk n LYS 82 N 5.10 -1.60 -0.58 4.03 5.02 -1.26 -0.29 118.16 128.57 1mdk n LYS 82 Ca -0.13 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1mdk n LYS 82 Cb 0.51 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 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 -0.61 0.75 3.54 0.72 0.00 -1.26 -4.98 105.19 103.35 1mdk n GLY 83 Ca -0.20 0.00 -0.31 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 -0.42 2.26 0.23 1.61 -0.21 0.60 -5.11 119.66 118.61 1mdk s GLN 84 Ca 0.00 -0.90 -0.19 0.00 0.02 0.00 0.00 55.36 54.29 1mdk s GLN 84 Cb 0.00 -2.33 -0.08 0.00 1.00 0.00 0.00 33.01 31.60 1mdk s GLN 84 CO 0.00 0.55 0.71 0.21 -2.12 0.00 0.00 175.29 174.65 1mdk s LYS 85 N -1.64 4.21 0.00 2.91 2.20 -1.26 0.24 119.74 126.39 1mdk s LYS 85 Ca 0.17 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1mdk s LYS 85 Cb -0.11 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1mdk s LYS 85 CO 0.08 0.38 0.00 1.33 -0.36 0.00 0.00 175.35 176.78 1mdk n VAL 86 N 0.62 0.00 -0.30 4.02 0.24 -0.96 -4.92 118.33 117.03 1mdk n VAL 86 Ca -0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1mdk n VAL 86 Cb 0.51 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.22 -2.03 3.58 7.63 0.00 -1.25 -5.04 105.19 109.30 1mdk n GLY 87 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.92 0.46 -0.29 1.61 1.03 -1.26 -1.80 118.70 116.53 1mdk s GLU 88 Ca 0.00 -0.18 -0.18 0.00 0.03 0.00 0.00 54.97 54.64 1mdk s GLU 88 Cb 0.00 0.20 0.14 0.00 -0.80 0.00 0.00 34.13 33.67 1mdk s GLU 88 CO 0.00 -0.20 0.99 -0.59 -1.33 0.00 0.00 175.26 174.13 1mdk s PHE 89 N -2.60 -0.55 0.00 4.83 -0.12 0.42 -5.00 117.98 114.97 1mdk s PHE 89 Ca 0.09 1.14 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 1mdk s PHE 89 Cb -0.00 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.05 -0.27 0.00 -1.13 -0.05 0.00 0.00 175.22 173.72 1mdk n SER 90 N 3.33 0.47 -0.13 1.98 3.41 -1.26 -1.43 113.62 119.99 1mdk n SER 90 Ca -0.17 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 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 4.96 -0.12 3.53 5.00 0.00 -1.18 -4.79 105.19 112.59 1mdk n GLY 91 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 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 2.07 0.66 -3.35 4.61 0.00 -1.26 -4.74 120.51 118.51 1mdk n ALA 92 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 53.44 52.09 1mdk n ALA 92 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 19.45 16.46 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 13.19 -0.38 -0.01 0.00 2.85 -1.26 -4.97 115.26 124.68 1mdk n ASN 93 Ca 0.55 -2.43 -0.00 0.00 -0.11 0.00 0.00 54.58 52.58 1mdk n ASN 93 Cb 0.31 -0.56 0.29 0.00 1.24 0.00 0.00 39.78 41.05 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 5.31 0.55 0.00 1.20 -0.00 -1.98 -1.89 116.57 119.77 1mdk h LYS 94 Ca 0.23 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.65 60.73 1mdk h LYS 94 Cb 0.90 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.05 1mdk h LYS 94 CO 0.39 0.57 -0.17 0.93 -0.00 0.00 0.00 179.45 181.16 1mdk h GLU 95 N 0.53 0.00 -0.28 0.07 5.08 -1.99 -2.08 114.58 115.91 1mdk h GLU 95 Ca 0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1mdk h GLU 95 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1mdk h GLU 95 CO 0.01 0.17 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.71 1mdk h LYS 96 N 0.00 0.56 -0.96 2.33 3.64 -1.76 -2.58 116.57 117.79 1mdk h LYS 96 Ca -0.00 -0.22 0.19 0.00 -1.27 0.00 0.00 60.65 59.35 1mdk h LYS 96 Cb 0.42 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 1mdk h LYS 96 CO 0.02 0.77 0.61 -0.07 -2.27 0.00 0.00 179.45 178.51 1mdk h LEU 97 N 0.49 0.63 0.53 5.20 3.38 -1.36 0.25 115.31 124.42 1mdk h LEU 97 Ca 0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1mdk h LEU 97 Cb 0.71 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1mdk h LEU 97 CO 0.05 0.25 -0.25 -0.08 0.09 0.00 0.00 178.44 178.50 1mdk h GLU 98 N 0.63 -0.68 -0.98 1.13 4.81 -1.56 -0.46 114.58 117.47 1mdk h GLU 98 Ca 0.52 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 1mdk h GLU 98 Cb 0.99 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1mdk h GLU 98 CO -0.28 -0.38 0.64 0.00 -0.73 0.00 0.00 179.01 178.27 1mdk h ALA 99 N -0.79 1.34 -0.25 2.92 0.00 -1.37 -1.19 119.26 119.93 1mdk h ALA 99 Ca -0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1mdk h ALA 99 Cb 0.62 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mdk h ALA 99 CO 0.12 0.58 -0.08 1.15 0.00 0.00 0.00 179.25 181.02 1mdk h THR 100 N 1.27 1.29 0.23 0.00 2.02 -0.52 -2.13 112.91 115.07 1mdk h THR 100 Ca 0.38 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1mdk h THR 100 Cb -0.06 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1mdk h THR 100 CO -0.10 0.35 -0.11 0.40 0.37 0.00 0.00 175.52 176.42 1mdk h ILE 101 N 0.23 0.81 0.00 3.11 2.04 -0.77 -1.67 117.51 121.25 1mdk h ILE 101 Ca 0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1mdk h ILE 101 Cb 0.56 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1mdk h ILE 101 CO 0.03 0.05 0.00 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N -0.42 0.00 0.19 1.72 -0.73 -1.24 -0.26 115.58 114.83 1mdk h ASN 102 Ca -0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1mdk h ASN 102 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1mdk h ASN 102 CO 0.05 0.00 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.25 -0.69 6.67 4.81 -0.60 -3.33 114.58 121.18 1mdk h GLU 103 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mdk h GLU 103 Cb 0.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1mdk h GLU 103 CO 0.00 -0.12 0.00 1.28 -0.73 0.00 0.00 179.01 179.44 1mdk n LEU 104 N -4.94 4.12 0.00 1.64 4.77 -1.00 -5.11 117.00 116.48 1mdk n LEU 104 Ca -0.04 -2.09 0.04 0.00 -0.03 0.00 0.00 56.01 53.89 1mdk n LEU 104 Cb 0.12 -0.60 0.22 0.00 -2.33 0.00 0.00 43.42 40.83 1mdk n LEU 104 CO 0.10 0.53 0.45 0.55 -1.33 0.00 0.00 177.39 177.68