#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 3.04 -0.22 2.03 1.01 -1.26 -3.43 120.40 121.57 1mdk s VAL 2 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1mdk s VAL 2 Cb 0.00 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 33.37 1mdk s VAL 2 CO 0.00 -0.07 0.45 -0.75 0.00 0.00 0.00 175.10 174.73 1mdk s LYS 3 N -4.62 0.36 0.11 2.72 2.36 -0.82 -4.96 119.74 114.89 1mdk s LYS 3 Ca 0.55 1.07 -0.22 0.00 -2.55 0.00 0.00 55.97 54.82 1mdk s LYS 3 Cb -0.10 0.38 -0.07 0.00 -1.05 0.00 0.00 37.83 36.98 1mdk s LYS 3 CO 0.37 -0.27 0.67 -1.14 1.55 0.00 0.00 175.35 176.53 1mdk s GLN 4 N 2.66 4.38 -0.24 4.03 0.74 -1.26 -1.67 119.66 128.31 1mdk s GLN 4 Ca -0.01 0.94 -0.05 0.00 0.05 0.00 0.00 55.36 56.29 1mdk s GLN 4 Cb -0.12 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 1mdk s GLN 4 CO -0.14 0.60 -0.00 0.42 -0.55 0.00 0.00 175.29 175.62 1mdk s ILE 5 N -1.09 3.68 -0.21 -2.34 -1.09 -0.52 -4.91 121.20 114.72 1mdk s ILE 5 Ca 0.32 -0.43 0.16 0.00 -2.23 0.00 0.00 60.65 58.48 1mdk s ILE 5 Cb -0.21 -2.71 -0.23 0.00 -1.58 0.00 0.00 42.46 37.73 1mdk s ILE 5 CO 0.22 0.37 0.43 -0.62 -1.23 0.00 0.00 174.94 174.11 1mdk n GLU 6 N 4.84 0.86 -3.74 2.79 4.71 -1.26 -4.32 120.64 124.51 1mdk n GLU 6 Ca -0.17 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.16 56.77 1mdk n GLU 6 Cb 0.51 -1.34 -0.05 0.00 -1.01 0.00 0.00 31.44 29.54 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1mdk s SER 7 N -3.47 -0.13 0.48 1.62 1.04 -1.26 -4.60 113.70 107.38 1mdk s SER 7 Ca -0.03 -0.49 0.23 0.00 0.48 0.00 0.00 55.95 56.15 1mdk s SER 7 Cb 0.11 0.46 1.27 0.00 0.10 0.00 0.00 66.02 67.95 1mdk s SER 7 CO 0.66 -0.86 1.92 0.50 0.98 0.00 0.00 173.24 176.43 1mdk h LYS 8 N 2.44 0.19 -0.65 4.02 3.64 -1.93 -0.46 116.57 123.82 1mdk h LYS 8 Ca -0.33 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1mdk h LYS 8 Cb 1.24 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1mdk h LYS 8 CO 0.48 0.12 0.42 1.15 -2.27 0.00 0.00 179.45 179.35 1mdk h THR 9 N 0.19 1.13 0.00 1.00 2.02 -2.01 -1.71 112.91 113.53 1mdk h THR 9 Ca 0.38 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1mdk h THR 9 Cb 1.19 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1mdk h THR 9 CO -0.07 0.15 -0.35 0.00 0.37 0.00 0.00 175.52 175.62 1mdk h ALA 10 N 1.25 1.12 0.60 6.16 0.00 -1.49 -2.91 119.26 123.99 1mdk h ALA 10 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1mdk h ALA 10 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mdk h ALA 10 CO -0.07 0.44 -0.30 0.35 0.00 0.00 0.00 179.25 179.67 1mdk h PHE 11 N 0.00 -0.77 -0.58 0.00 3.57 -1.02 0.23 116.94 118.36 1mdk h PHE 11 Ca -0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1mdk h PHE 11 Cb 0.77 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1mdk h PHE 11 CO 0.00 -0.47 0.30 1.96 -2.23 0.00 0.00 178.31 177.86 1mdk h GLN 12 N -0.81 0.54 -0.61 1.11 4.20 -1.60 -0.89 115.11 117.05 1mdk h GLN 12 Ca -0.08 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1mdk h GLN 12 Cb 0.63 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1mdk h GLN 12 CO 0.13 0.36 0.41 0.93 -0.67 0.00 0.00 178.83 179.98 1mdk h GLU 13 N 0.56 0.68 -0.44 1.46 4.39 -1.42 -2.04 114.58 117.78 1mdk h GLU 13 Ca 0.27 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1mdk h GLU 13 Cb 0.19 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1mdk h GLU 13 CO -0.19 0.45 0.26 0.00 -1.16 0.00 0.00 179.01 178.37 1mdk h ALA 14 N 1.65 0.56 -0.51 3.43 0.00 0.92 0.42 119.26 125.72 1mdk h ALA 14 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1mdk h ALA 14 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1mdk h ALA 14 CO -0.07 0.05 0.24 -0.07 0.00 0.00 0.00 179.25 179.41 1mdk h LEU 15 N 0.57 0.67 -0.82 0.00 3.38 -1.15 0.48 115.31 118.44 1mdk h LEU 15 Ca 0.16 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1mdk h LEU 15 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1mdk h LEU 15 CO -0.03 0.62 0.06 -0.78 0.09 0.00 0.00 178.44 178.40 1mdk h ASP 16 N 0.68 0.91 1.93 -0.43 3.58 -1.11 -2.48 116.42 119.49 1mdk h ASP 16 Ca 0.18 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1mdk h ASP 16 Cb 0.13 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1mdk h ASP 16 CO -0.02 0.93 -0.06 0.00 -2.88 0.00 0.00 179.24 177.21 1mdk h ALA 17 N 1.17 0.97 0.00 -0.78 0.00 -0.55 -3.14 119.26 116.93 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1mdk h ALA 17 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1mdk n ALA 18 N -2.10 1.86 -0.64 0.00 0.00 0.16 -4.94 120.51 114.86 1mdk n ALA 18 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1mdk n ALA 18 Cb 0.53 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.20 2.19 0.20 0.00 0.00 -1.19 -3.31 105.19 102.88 1mdk n GLY 19 Ca 0.08 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 3.41 1.91 -4.58 1.61 9.92 -1.26 -4.37 116.55 123.19 1mdk n ASP 20 Ca 0.00 -1.64 -0.29 0.00 -0.53 0.00 0.00 54.79 52.33 1mdk n ASP 20 Cb 0.00 -0.05 0.19 0.00 -0.64 0.00 0.00 41.12 40.62 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mdk s LYS 21 N -0.71 0.19 0.89 -1.24 1.02 -1.21 -4.75 119.74 113.92 1mdk s LYS 21 Ca 0.07 0.40 -0.11 0.00 0.02 0.00 0.00 55.97 56.35 1mdk s LYS 21 Cb 0.04 -1.72 0.13 0.00 -0.52 0.00 0.00 37.83 35.76 1mdk s LYS 21 CO 0.05 -2.87 1.11 -1.17 -0.92 0.00 0.00 175.35 171.55 1mdk s LEU 22 N -6.52 2.63 -0.24 3.17 0.20 -1.26 -4.65 118.68 112.01 1mdk s LEU 22 Ca 0.66 1.89 -0.03 0.00 0.69 0.00 0.00 54.13 57.34 1mdk s LEU 22 Cb -0.17 -4.34 0.11 0.00 -0.43 0.00 0.00 46.19 41.36 1mdk s LEU 22 CO 0.57 -2.77 0.23 -0.69 -0.29 0.00 0.00 176.35 173.41 1mdk s VAL 23 N -2.77 -0.32 -0.19 1.68 1.01 -0.86 -1.97 120.40 116.99 1mdk s VAL 23 Ca 0.64 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1mdk s VAL 23 Cb -0.20 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1mdk s VAL 23 CO 0.58 -0.34 0.07 -0.69 0.00 0.00 0.00 175.10 174.72 1mdk s VAL 24 N 2.31 4.83 -0.09 2.92 1.01 -0.80 -0.55 120.40 130.03 1mdk s VAL 24 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1mdk s VAL 24 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1mdk s VAL 24 CO -0.21 0.44 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 1mdk s VAL 25 N 0.51 4.47 -0.48 2.92 1.01 0.17 -1.71 120.40 127.30 1mdk s VAL 25 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1mdk s VAL 25 Cb -0.13 -2.89 0.13 0.00 0.00 0.00 0.00 36.38 33.49 1mdk s VAL 25 CO 0.01 0.60 0.32 -0.62 0.00 0.00 0.00 175.10 175.41 1mdk s ASP 26 N -0.85 5.53 -1.17 3.32 2.15 -1.15 -2.53 116.67 121.96 1mdk s ASP 26 Ca 0.13 -2.11 -0.18 0.00 0.43 0.00 0.00 52.55 50.82 1mdk s ASP 26 Cb -0.11 -1.93 0.10 0.00 -0.30 0.00 0.00 42.92 40.67 1mdk s ASP 26 CO 0.02 -0.60 1.53 -0.36 -0.17 0.00 0.00 175.17 175.60 1mdk s PHE 27 N 1.06 2.94 0.00 -5.34 0.40 -1.08 -2.81 117.98 113.15 1mdk s PHE 27 Ca 0.09 -1.55 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 1mdk s PHE 27 Cb -0.24 -4.58 0.00 0.00 0.51 0.00 0.00 43.02 38.71 1mdk s PHE 27 CO -0.03 -1.70 0.00 0.43 0.70 0.00 0.00 175.22 174.62 1mdk n SER 28 N 7.64 1.04 -3.67 1.36 7.64 -1.20 -2.62 113.62 123.81 1mdk n SER 28 Ca 0.40 -0.33 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1mdk n SER 28 Cb 0.47 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.49 1mdk n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mdk s ALA 29 N -2.00 0.23 0.46 -0.43 0.00 -1.26 -3.29 121.76 115.47 1mdk s ALA 29 Ca 0.00 0.19 0.28 0.00 0.00 0.00 0.00 51.96 52.43 1mdk s ALA 29 Cb 0.00 -0.61 1.54 0.00 0.00 0.00 0.00 23.12 24.05 1mdk s ALA 29 CO 0.00 -0.48 2.12 0.00 0.00 0.00 0.00 175.76 177.40 1mdk h THR 30 N 6.44 0.57 0.00 0.00 1.03 -1.99 -1.83 112.91 117.12 1mdk h THR 30 Ca -0.13 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1mdk h THR 30 Cb 1.12 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1mdk h THR 30 CO 0.16 0.09 -0.59 -2.67 -0.01 0.00 0.00 175.52 172.49 1mdk n TRP 31 N -3.71 0.29 -3.61 0.00 4.27 -1.26 -4.84 117.44 108.58 1mdk n TRP 31 Ca -0.02 0.09 -0.37 0.00 -3.89 0.00 0.00 57.50 53.31 1mdk n TRP 31 Cb 0.20 -0.47 -0.07 0.00 -1.36 0.00 0.00 31.31 29.61 1mdk n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mdk h GLY 33 N 5.89 -0.25 0.24 0.00 0.00 -1.88 -2.82 103.07 104.25 1mdk h GLY 33 Ca -0.46 0.09 0.23 0.00 0.00 0.00 0.00 47.33 47.19 1mdk h GLY 33 CO 0.69 -0.09 0.62 -2.55 0.00 0.00 0.00 176.54 175.21 1mdk h PRO 34 N -0.92 0.21 0.11 4.80 0.11 -1.95 1.03 132.00 135.39 1mdk h PRO 34 Ca -0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1mdk h PRO 34 Cb 0.49 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1mdk h PRO 34 CO 0.04 0.14 -0.05 0.00 -0.21 0.00 0.00 178.00 177.92 1mdk h ALA 35 N 1.59 -0.18 -0.00 -0.75 0.00 -1.86 -3.28 119.26 114.78 1mdk h ALA 35 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1mdk h ALA 35 Cb 1.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1mdk h ALA 35 CO -0.11 -0.17 0.01 -0.22 0.00 0.00 0.00 179.25 178.77 1mdk h LYS 36 N -0.81 0.00 0.00 0.00 3.64 -1.20 -1.65 116.57 116.54 1mdk h LYS 36 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mdk h LYS 36 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mdk h LYS 36 CO 0.02 0.00 0.02 1.98 -2.27 0.00 0.00 179.45 179.20 1mdk h MET 37 N 0.00 0.00 -0.56 1.90 4.05 0.10 0.15 114.93 120.58 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 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 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 -2.79 0.74 0.10 1.77 5.41 -0.62 -4.42 119.36 119.55 1mdk n ILE 38 Ca -0.02 -0.85 -0.01 0.00 1.00 0.00 0.00 62.75 62.86 1mdk n ILE 38 Cb 0.07 0.72 0.24 0.00 -0.71 0.00 0.00 39.64 39.97 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 4.33 0.22 0.00 0.38 2.10 -1.12 -2.55 116.57 119.93 1mdk h LYS 39 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1mdk h LYS 39 Cb 0.97 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1mdk h LYS 39 CO 0.00 0.58 0.00 -2.30 -2.00 0.00 0.00 179.45 175.73 1mdk n PRO 40 N -4.04 0.02 0.00 0.07 -0.02 -1.26 -2.05 135.00 127.72 1mdk n PRO 40 Ca -0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1mdk n PRO 40 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.30 0.00 -0.29 6.00 3.01 -0.98 -4.05 117.46 119.84 1mdk n PHE 41 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 1mdk n PHE 41 Cb 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.41 -0.11 1.38 3.57 -1.57 0.46 116.94 119.27 1mdk h PHE 42 Ca 0.00 0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1mdk h PHE 42 Cb 0.00 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1mdk h PHE 42 CO 0.00 -0.41 -0.27 1.25 -2.23 0.00 0.00 178.31 176.65 1mdk h HIS 43 N -0.13 0.21 -0.68 0.41 2.76 -1.65 -2.87 115.15 113.21 1mdk h HIS 43 Ca 0.21 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1mdk h HIS 43 Cb 0.54 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 1mdk h HIS 43 CO -0.83 0.46 0.19 1.03 -1.30 0.00 0.00 177.93 177.48 1mdk h SER 44 N 0.17 1.01 0.00 3.26 0.87 -0.18 -1.89 113.55 116.79 1mdk h SER 44 Ca 0.03 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1mdk h SER 44 Cb 0.58 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1mdk h SER 44 CO 0.04 0.96 0.34 0.18 -0.53 0.00 0.00 176.83 177.82 1mdk n LEU 45 N -4.30 0.27 -0.27 2.23 4.77 0.17 -0.74 117.00 119.13 1mdk n LEU 45 Ca 0.05 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.56 1mdk n LEU 45 Cb 0.24 -0.42 0.27 0.00 -2.33 0.00 0.00 43.42 41.18 1mdk n LEU 45 CO 0.41 -0.58 1.24 0.28 -1.33 0.00 0.00 177.39 177.42 1mdk h SER 46 N 0.00 0.84 0.39 -1.43 0.02 -1.48 0.27 113.55 112.17 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 0.68 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1mdk h SER 46 CO 0.00 0.54 -0.83 -0.62 -1.14 0.00 0.00 176.83 174.78 1mdk n GLU 47 N -4.48 0.14 -0.09 3.45 1.02 0.09 -3.96 120.64 116.80 1mdk n GLU 47 Ca 0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.09 1mdk n GLU 47 Cb 0.20 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1mdk n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1mdk h LYS 48 N 0.00 0.00 -3.07 3.49 3.11 -1.27 -3.41 116.57 115.42 1mdk h LYS 48 Ca 0.00 0.00 -0.73 0.00 -2.81 0.00 0.00 60.65 57.11 1mdk h LYS 48 Cb 0.61 0.00 -0.33 0.00 -1.00 0.00 0.00 32.23 31.51 1mdk h LYS 48 CO 0.00 0.83 0.17 0.66 -2.81 0.00 0.00 179.45 178.30 1mdk n TYR 49 N -4.50 3.78 0.55 1.91 4.01 0.86 -4.82 117.16 118.96 1mdk n TYR 49 Ca -0.24 -3.67 0.05 0.00 -0.16 0.00 0.00 57.90 53.88 1mdk n TYR 49 Cb 0.57 -1.18 0.28 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.86 0.00 -0.70 7.72 3.41 -1.25 -0.95 113.62 123.70 1mdk n SER 50 Ca 0.25 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 1mdk n SER 50 Cb 0.37 -0.18 0.26 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.18 2.25 -4.41 4.04 4.05 -1.26 -4.68 115.26 114.06 1mdk n ASN 51 Ca 0.06 -1.71 -0.30 0.00 0.45 0.00 0.00 54.58 53.09 1mdk n ASN 51 Cb 0.07 0.05 -0.13 0.00 1.23 0.00 0.00 39.78 41.00 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1mdk s VAL 52 N -2.07 2.48 -0.15 3.44 1.01 -0.12 -4.51 120.40 120.46 1mdk s VAL 52 Ca 0.31 -1.45 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1mdk s VAL 52 Cb 0.20 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1mdk s VAL 52 CO 0.35 0.24 0.17 -0.63 0.00 0.00 0.00 175.10 175.23 1mdk s ILE 53 N -0.97 5.42 -0.08 2.22 -1.09 -0.83 -4.34 121.20 121.53 1mdk s ILE 53 Ca 0.14 0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1mdk s ILE 53 Cb -0.10 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1mdk s ILE 53 CO 0.05 0.52 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.70 1mdk s PHE 54 N -0.29 2.33 0.45 3.97 0.08 -1.22 -1.90 117.98 121.40 1mdk s PHE 54 Ca 0.13 -0.88 0.06 0.00 0.12 0.00 0.00 56.93 56.36 1mdk s PHE 54 Cb -0.12 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1mdk s PHE 54 CO 0.02 -0.35 0.23 -0.51 -0.10 0.00 0.00 175.22 174.52 1mdk s LEU 55 N 0.28 2.97 -0.04 -0.37 1.02 -0.69 -1.95 118.68 119.89 1mdk s LEU 55 Ca -0.15 -1.14 -0.03 0.00 0.02 0.00 0.00 54.13 52.83 1mdk s LEU 55 Cb -0.17 -1.38 0.01 0.00 0.02 0.00 0.00 46.19 44.68 1mdk s LEU 55 CO 0.07 -0.71 0.10 -0.70 0.02 0.00 0.00 176.35 175.13 1mdk s GLU 56 N -4.01 0.11 -0.02 1.70 2.12 -0.67 -2.93 118.70 115.01 1mdk s GLU 56 Ca 0.37 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1mdk s GLU 56 Cb 0.02 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1mdk s GLU 56 CO 0.21 -0.03 -0.05 0.08 -0.54 0.00 0.00 175.26 174.92 1mdk s VAL 57 N 0.20 0.47 -0.56 3.70 1.01 -1.12 -1.44 120.40 122.64 1mdk s VAL 57 Ca -0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1mdk s VAL 57 Cb -0.02 -0.43 0.11 0.00 0.00 0.00 0.00 36.38 36.03 1mdk s VAL 57 CO -0.01 0.16 0.61 -0.62 0.00 0.00 0.00 175.10 175.24 1mdk s ASP 58 N 0.20 6.19 0.00 3.32 2.15 -1.26 -3.22 116.67 124.04 1mdk s ASP 58 Ca -0.02 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 51.45 1mdk s ASP 58 Cb -0.06 -2.26 0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1mdk s ASP 58 CO -0.00 -0.99 0.84 1.33 -0.17 0.00 0.00 175.17 176.18 1mdk n VAL 59 N 5.43 1.30 -0.10 1.11 0.24 -1.21 0.30 118.33 125.40 1mdk n VAL 59 Ca -0.11 0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 62.35 1mdk n VAL 59 Cb 0.42 -1.32 -0.09 0.00 -1.47 0.00 0.00 33.84 31.38 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 -1.33 2.22 0.01 -1.34 8.00 -1.26 -4.22 116.55 118.63 1mdk n ASP 60 Ca 0.00 -0.02 0.11 0.00 0.71 0.00 0.00 54.79 55.59 1mdk n ASP 60 Cb 0.00 -0.39 0.05 0.00 -0.02 0.00 0.00 41.12 40.76 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 -3.30 0.66 -2.46 -2.24 2.03 -1.02 -4.22 116.55 106.01 1mdk n ASP 61 Ca -0.37 -0.39 -0.24 0.00 0.52 0.00 0.00 54.79 54.31 1mdk n ASP 61 Cb 0.86 0.70 0.01 0.00 -0.72 0.00 0.00 41.12 41.97 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 -1.67 4.82 0.22 -1.67 0.00 0.15 -4.84 120.51 117.52 1mdk n ALA 62 Ca 0.03 -4.10 0.12 0.00 0.00 0.00 0.00 53.44 49.50 1mdk n ALA 62 Cb 0.39 -0.57 0.65 0.00 0.00 0.00 0.00 19.45 19.92 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 2.58 0.00 -0.33 0.00 4.20 -1.73 -0.77 115.11 119.06 1mdk h GLN 63 Ca 0.25 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 1mdk h GLN 63 Cb 1.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1mdk h GLN 63 CO 0.79 0.00 -0.47 0.38 -0.67 0.00 0.00 178.83 178.86 1mdk h ASP 64 N 0.00 0.96 -0.05 1.46 3.04 -1.93 0.25 116.42 120.15 1mdk h ASP 64 Ca 0.00 -0.48 -0.09 0.00 -3.24 0.00 0.00 57.03 53.22 1mdk h ASP 64 Cb 0.30 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1mdk h ASP 64 CO 0.00 1.27 -0.33 0.58 -2.04 0.00 0.00 179.24 178.72 1mdk h VAL 65 N 0.70 1.44 -0.44 4.15 2.07 -1.51 -2.27 116.25 120.40 1mdk h VAL 65 Ca 0.04 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1mdk h VAL 65 Cb 1.06 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1mdk h VAL 65 CO 0.11 0.51 0.11 0.00 0.02 0.00 0.00 177.57 178.32 1mdk h ALA 66 N 0.39 1.38 -0.24 1.67 0.00 -1.52 -0.95 119.26 119.99 1mdk h ALA 66 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1mdk h ALA 66 Cb 1.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1mdk h ALA 66 CO 0.07 0.45 0.07 0.77 0.00 0.00 0.00 179.25 180.60 1mdk h SER 67 N 0.63 0.35 -0.56 0.00 0.02 -0.46 0.68 113.55 114.22 1mdk h SER 67 Ca 0.15 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1mdk h SER 67 Cb 0.23 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1mdk h SER 67 CO -0.00 0.47 0.14 -0.08 -1.14 0.00 0.00 176.83 176.22 1mdk h GLU 68 N 0.21 0.94 -0.01 3.45 4.81 -0.99 -2.04 114.58 120.96 1mdk h GLU 68 Ca 0.08 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1mdk h GLU 68 Cb 0.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1mdk h GLU 68 CO -0.00 0.85 -0.13 0.00 -0.73 0.00 0.00 179.01 179.00 1mdk n ALA 69 N -2.46 2.82 -3.74 2.92 0.00 -0.40 -4.95 120.51 114.70 1mdk n ALA 69 Ca 0.04 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 1mdk n ALA 69 Cb 0.25 -1.24 0.04 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 -1.28 -2.70 0.00 1.02 0.23 -4.90 120.64 112.44 1mdk n GLU 70 Ca 0.15 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 1mdk n GLU 70 Cb 0.31 -3.98 -0.05 0.00 -0.02 0.00 0.00 31.44 27.70 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 -3.51 4.25 0.00 2.62 1.01 -0.85 -4.92 120.40 119.00 1mdk s VAL 71 Ca 0.44 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.42 1mdk s VAL 71 Cb -0.17 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1mdk s VAL 71 CO 0.88 0.37 0.17 0.29 0.00 0.00 0.00 175.10 176.80 1mdk n LYS 72 N 2.29 1.48 -3.68 2.72 5.02 -1.26 -4.99 118.16 119.75 1mdk n LYS 72 Ca 0.01 -0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 1mdk n LYS 72 Cb 0.48 -0.58 -0.10 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.26 -1.20 0.12 7.82 0.00 -1.26 -5.16 121.76 121.82 1mdk s ALA 73 Ca 0.00 1.64 0.06 0.00 0.00 0.00 0.00 51.96 53.67 1mdk s ALA 73 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1mdk s ALA 73 CO 0.00 -0.44 -0.03 0.95 0.00 0.00 0.00 175.76 176.24 1mdk s THR 74 N 1.82 3.72 0.32 0.00 -4.23 -1.26 -3.67 115.64 112.34 1mdk s THR 74 Ca -0.07 -1.23 -0.27 0.00 -1.18 0.00 0.00 61.69 58.94 1mdk s THR 74 Cb -0.09 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 1mdk s THR 74 CO -0.14 0.03 1.03 -2.16 -0.54 0.00 0.00 174.62 172.84 1mdk s PRO 75 N -2.51 4.51 -0.29 3.99 0.04 -1.26 -4.82 135.00 134.66 1mdk s PRO 75 Ca 0.25 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1mdk s PRO 75 Cb -0.11 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.55 1mdk s PRO 75 CO 0.17 0.16 -0.01 0.99 0.04 0.00 0.00 177.00 178.35 1mdk s THR 76 N -1.41 3.06 -0.25 1.26 2.01 -1.08 -3.16 115.64 116.07 1mdk s THR 76 Ca 0.49 -1.23 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 1mdk s THR 76 Cb -0.25 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1mdk s THR 76 CO 0.32 -0.02 0.74 -0.36 -0.69 0.00 0.00 174.62 174.61 1mdk s PHE 77 N 1.29 3.29 -0.07 4.92 0.08 -0.50 -2.62 117.98 124.38 1mdk s PHE 77 Ca -0.03 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.05 1mdk s PHE 77 Cb -0.19 -2.97 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 1mdk s PHE 77 CO -0.01 -0.38 -0.19 -0.65 -0.10 0.00 0.00 175.22 173.88 1mdk s GLN 78 N 2.71 2.70 -0.18 0.44 -0.21 -1.05 -0.30 119.66 123.77 1mdk s GLN 78 Ca 0.31 -0.80 -0.04 0.00 0.02 0.00 0.00 55.36 54.85 1mdk s GLN 78 Cb -0.15 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 1mdk s GLN 78 CO 0.08 0.42 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.59 1mdk s PHE 79 N -0.24 3.03 0.17 0.91 0.40 -0.51 -0.65 117.98 121.09 1mdk s PHE 79 Ca -0.00 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1mdk s PHE 79 Cb -0.13 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1mdk s PHE 79 CO 0.03 -0.14 -0.17 -0.06 0.70 0.00 0.00 175.22 175.58 1mdk s PHE 80 N 0.66 1.79 -0.23 0.36 0.08 0.29 -2.32 117.98 118.61 1mdk s PHE 80 Ca -0.02 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 1mdk s PHE 80 Cb -0.14 -0.88 0.09 0.00 -0.57 0.00 0.00 43.02 41.52 1mdk s PHE 80 CO 0.02 0.33 0.51 0.21 -0.10 0.00 0.00 175.22 176.20 1mdk s LYS 81 N -2.94 0.45 -1.32 0.44 2.20 0.17 -2.03 119.74 116.72 1mdk s LYS 81 Ca 0.17 1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 56.89 1mdk s LYS 81 Cb -0.05 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1mdk s LYS 81 CO 0.07 -0.21 0.06 1.63 -0.36 0.00 0.00 175.35 176.54 1mdk n LYS 82 N 5.04 -2.29 -0.92 4.03 5.02 -1.26 0.26 118.16 128.03 1mdk n LYS 82 Ca -0.14 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1mdk n LYS 82 Cb 0.52 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 -0.93 0.80 3.57 0.72 0.00 -1.26 -5.02 105.19 103.06 1mdk n GLY 83 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.08 2.33 0.20 1.61 -0.21 0.14 -5.11 119.66 118.54 1mdk s GLN 84 Ca 0.00 -0.87 -0.20 0.00 0.02 0.00 0.00 55.36 54.32 1mdk s GLN 84 Cb 0.00 -2.38 -0.08 0.00 1.00 0.00 0.00 33.01 31.55 1mdk s GLN 84 CO 0.00 0.56 0.70 0.21 -2.12 0.00 0.00 175.29 174.64 1mdk s LYS 85 N -1.68 4.26 0.00 2.91 2.20 -1.26 0.43 119.74 126.60 1mdk s LYS 85 Ca 0.18 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1mdk s LYS 85 Cb -0.11 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1mdk s LYS 85 CO 0.09 0.44 0.00 1.33 -0.36 0.00 0.00 175.35 176.86 1mdk n VAL 86 N 0.92 0.00 0.00 4.02 0.24 -0.98 -4.91 118.33 117.62 1mdk n VAL 86 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1mdk n VAL 86 Cb 0.51 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 1.58 -0.79 3.60 7.63 0.00 -1.25 -5.04 105.19 110.93 1mdk n GLY 87 Ca 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.34 -0.29 1.61 -1.05 -1.26 -1.42 118.70 114.63 1mdk s GLU 88 Ca 0.00 -0.01 -0.17 0.00 -0.15 0.00 0.00 54.97 54.64 1mdk s GLU 88 Cb 0.00 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1mdk s GLU 88 CO 0.00 -0.13 0.96 -0.59 0.95 0.00 0.00 175.26 176.45 1mdk s PHE 89 N -1.66 -0.60 0.00 4.83 -0.12 0.59 -5.00 117.98 116.03 1mdk s PHE 89 Ca 0.06 1.22 0.00 0.00 -0.05 0.00 0.00 56.93 58.16 1mdk s PHE 89 Cb -0.01 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1mdk s PHE 89 CO -0.04 -0.30 0.00 -1.13 -0.05 0.00 0.00 175.22 173.70 1mdk n SER 90 N 3.58 0.22 -0.01 1.98 3.41 -1.26 -1.41 113.62 120.13 1mdk n SER 90 Ca -0.18 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 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 -2.82 3.54 5.00 0.00 -1.19 -4.70 105.19 110.02 1mdk n GLY 91 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.14 0.62 -3.18 4.61 0.00 -1.26 -4.75 120.51 116.40 1mdk n ALA 92 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.22 1mdk n ALA 92 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.31 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 15.58 0.31 -0.24 0.00 4.05 -1.26 -4.96 115.26 128.75 1mdk n ASN 93 Ca 0.45 -2.78 0.04 0.00 0.45 0.00 0.00 54.58 52.74 1mdk n ASN 93 Cb 0.43 -0.61 0.28 0.00 1.23 0.00 0.00 39.78 41.12 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 3.73 0.90 0.00 1.20 2.10 -1.97 -0.66 116.57 121.87 1mdk h LYS 94 Ca 0.08 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 1mdk h LYS 94 Cb 0.91 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1mdk h LYS 94 CO 0.47 0.59 -0.16 0.93 -2.00 0.00 0.00 179.45 179.28 1mdk h GLU 95 N 0.92 0.00 -0.12 0.07 4.39 -2.00 -2.22 114.58 115.63 1mdk h GLU 95 Ca 0.33 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 1mdk h GLU 95 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1mdk h GLU 95 CO -0.11 0.16 -0.49 -0.22 -1.16 0.00 0.00 179.01 177.19 1mdk h LYS 96 N 0.00 0.31 -0.81 2.33 3.64 -1.53 -2.78 116.57 117.73 1mdk h LYS 96 Ca -0.00 -0.18 0.18 0.00 -1.27 0.00 0.00 60.65 59.38 1mdk h LYS 96 Cb 0.37 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1mdk h LYS 96 CO 0.02 0.74 0.54 -0.07 -2.27 0.00 0.00 179.45 178.41 1mdk h LEU 97 N 0.25 0.34 0.36 5.20 3.38 -1.35 0.22 115.31 123.72 1mdk h LEU 97 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1mdk h LEU 97 Cb 0.96 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1mdk h LEU 97 CO 0.08 0.16 -0.17 -0.08 0.09 0.00 0.00 178.44 178.51 1mdk h GLU 98 N 0.35 -0.47 -0.63 1.13 4.22 -1.60 -0.52 114.58 117.06 1mdk h GLU 98 Ca 0.41 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.89 1mdk h GLU 98 Cb 1.05 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1mdk h GLU 98 CO -0.12 -0.15 0.41 0.00 -2.18 0.00 0.00 179.01 176.97 1mdk h ALA 99 N -0.41 0.80 -0.32 2.92 0.00 -1.30 -0.41 119.26 120.53 1mdk h ALA 99 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1mdk h ALA 99 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mdk h ALA 99 CO 0.08 0.22 0.04 1.15 0.00 0.00 0.00 179.25 180.74 1mdk h THR 100 N 0.84 1.24 0.31 0.00 2.02 -0.63 -1.26 112.91 115.44 1mdk h THR 100 Ca 0.23 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1mdk h THR 100 Cb -0.09 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1mdk h THR 100 CO -0.06 0.28 -0.15 0.40 0.37 0.00 0.00 175.52 176.37 1mdk h ILE 101 N 0.37 0.70 0.00 3.11 2.04 -0.84 -0.91 117.51 121.98 1mdk h ILE 101 Ca 0.10 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1mdk h ILE 101 Cb 0.38 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1mdk h ILE 101 CO 0.01 0.02 0.00 -1.13 0.00 0.00 0.00 178.15 177.05 1mdk h ASN 102 N -0.47 0.00 0.15 1.72 -0.73 -1.02 0.37 115.58 115.61 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 0.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1mdk h ASN 102 CO 0.07 0.00 -0.07 -0.08 -0.37 0.00 0.00 177.43 176.98 1mdk h GLU 103 N 0.00 -0.20 -0.75 6.67 4.81 0.06 -3.33 114.58 121.84 1mdk h GLU 103 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1mdk h GLU 103 Cb 0.02 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1mdk h GLU 103 CO 0.00 -0.13 0.03 1.28 -0.73 0.00 0.00 179.01 179.46 1mdk n LEU 104 N -4.74 4.16 0.00 1.64 4.77 -0.91 -5.10 117.00 116.82 1mdk n LEU 104 Ca -0.03 -2.12 0.03 0.00 -0.03 0.00 0.00 56.01 53.87 1mdk n LEU 104 Cb 0.08 -0.63 0.21 0.00 -2.33 0.00 0.00 43.42 40.75 1mdk n LEU 104 CO 0.06 0.52 0.44 0.55 -1.33 0.00 0.00 177.39 177.63