#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 2.57 -0.21 3.17 1.01 -1.26 -3.25 120.40 122.43 1mdk s VAL 2 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1mdk s VAL 2 Cb 0.00 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1mdk s VAL 2 CO 0.00 0.00 0.47 -0.75 0.00 0.00 0.00 175.10 174.82 1mdk s LYS 3 N -4.66 0.40 -0.11 2.72 2.47 -0.32 -4.92 119.74 115.32 1mdk s LYS 3 Ca 0.59 1.06 -0.20 0.00 -1.56 0.00 0.00 55.97 55.86 1mdk s LYS 3 Cb -0.08 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.57 1mdk s LYS 3 CO 0.38 -0.22 0.56 -1.14 0.16 0.00 0.00 175.35 175.09 1mdk s GLN 4 N 2.33 4.36 -0.27 4.03 0.74 -1.26 -1.37 119.66 128.22 1mdk s GLN 4 Ca -0.05 0.59 -0.10 0.00 0.05 0.00 0.00 55.36 55.86 1mdk s GLN 4 Cb -0.11 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1mdk s GLN 4 CO -0.14 0.09 0.15 0.42 -0.55 0.00 0.00 175.29 175.26 1mdk s ILE 5 N 0.79 4.98 -0.21 -2.34 -1.09 -0.75 -4.92 121.20 117.65 1mdk s ILE 5 Ca 0.30 0.06 0.13 0.00 -2.23 0.00 0.00 60.65 58.91 1mdk s ILE 5 Cb -0.16 -3.36 -0.19 0.00 -1.58 0.00 0.00 42.46 37.17 1mdk s ILE 5 CO 0.13 0.28 0.38 -0.62 -1.23 0.00 0.00 174.94 173.88 1mdk n GLU 6 N 4.99 1.14 -3.68 2.79 1.02 -1.26 -4.39 120.64 121.25 1mdk n GLU 6 Ca -0.15 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 1mdk n GLU 6 Cb 0.52 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.63 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 -3.13 -0.17 0.50 1.62 1.04 -1.26 -4.67 113.70 107.63 1mdk s SER 7 Ca -0.02 -0.38 0.26 0.00 0.48 0.00 0.00 55.95 56.29 1mdk s SER 7 Cb 0.09 0.45 1.35 0.00 0.10 0.00 0.00 66.02 68.01 1mdk s SER 7 CO 0.56 -0.84 1.90 0.50 0.98 0.00 0.00 173.24 176.34 1mdk h LYS 8 N 2.43 0.11 -0.28 4.02 3.64 -1.93 -0.50 116.57 124.06 1mdk h LYS 8 Ca -0.34 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1mdk h LYS 8 Cb 1.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1mdk h LYS 8 CO 0.48 0.07 0.18 1.15 -2.27 0.00 0.00 179.45 179.07 1mdk h THR 9 N 0.12 1.07 0.00 1.00 2.02 -2.01 -1.96 112.91 113.14 1mdk h THR 9 Ca 0.40 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.39 1mdk h THR 9 Cb 1.41 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1mdk h THR 9 CO -0.05 0.07 -0.31 0.00 0.37 0.00 0.00 175.52 175.60 1mdk h ALA 10 N 1.10 1.20 0.12 6.16 0.00 -1.50 -2.72 119.26 123.61 1mdk h ALA 10 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 10 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mdk h ALA 10 CO -0.02 0.38 -0.06 0.35 0.00 0.00 0.00 179.25 179.90 1mdk h PHE 11 N 0.00 -0.15 -0.70 0.00 3.57 -0.90 0.22 116.94 118.98 1mdk h PHE 11 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1mdk h PHE 11 Cb 0.67 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 1mdk h PHE 11 CO 0.00 -0.09 0.31 1.96 -2.23 0.00 0.00 178.31 178.26 1mdk h GLN 12 N -0.16 0.50 -0.76 1.11 4.20 -1.58 0.72 115.11 119.14 1mdk h GLN 12 Ca -0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1mdk h GLN 12 Cb 0.12 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1mdk h GLN 12 CO 0.03 0.33 0.50 0.93 -0.67 0.00 0.00 178.83 179.95 1mdk h GLU 13 N 0.52 0.85 -0.41 1.46 5.08 -1.42 -0.72 114.58 119.93 1mdk h GLU 13 Ca 0.36 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1mdk h GLU 13 Cb 0.45 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1mdk h GLU 13 CO -0.32 0.56 0.25 0.00 -1.00 0.00 0.00 179.01 178.51 1mdk h ALA 14 N 1.57 0.52 -0.37 3.43 0.00 0.19 0.82 119.26 125.43 1mdk h ALA 14 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mdk h ALA 14 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1mdk h ALA 14 CO -0.10 0.00 0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1mdk h LEU 15 N 0.54 0.55 -0.73 0.00 3.38 -0.92 0.24 115.31 118.38 1mdk h LEU 15 Ca 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mdk h LEU 15 Cb -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1mdk h LEU 15 CO -0.03 0.64 0.33 -0.78 0.09 0.00 0.00 178.44 178.69 1mdk h ASP 16 N 0.44 0.98 1.33 -0.43 3.58 -0.87 -1.71 116.42 119.75 1mdk h ASP 16 Ca 0.12 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1mdk h ASP 16 Cb 0.30 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1mdk h ASP 16 CO 0.00 0.85 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 1mdk n ALA 17 N -2.39 2.27 0.61 -0.78 0.00 0.26 -3.11 120.51 117.37 1mdk n ALA 17 Ca 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1mdk n ALA 17 Cb 0.15 -1.47 0.33 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.72 1.76 -0.59 0.00 0.00 0.84 -4.92 120.51 115.88 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 -1.21 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 -0.18 2.30 0.00 0.00 0.00 -1.18 -3.06 105.19 103.07 1mdk n GLY 19 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 10.28 0.24 -4.66 1.61 8.00 -1.26 -4.42 116.55 126.35 1mdk n ASP 20 Ca 0.00 -1.07 -0.29 0.00 0.71 0.00 0.00 54.79 54.14 1mdk n ASP 20 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.07 0.26 0.94 -1.24 1.02 -1.17 -4.74 119.74 114.73 1mdk s LYS 21 Ca 0.00 0.48 -0.11 0.00 0.02 0.00 0.00 55.97 56.36 1mdk s LYS 21 Cb 0.00 -1.72 0.16 0.00 -0.52 0.00 0.00 37.83 35.74 1mdk s LYS 21 CO 0.00 -2.84 1.10 -1.17 -0.92 0.00 0.00 175.35 171.52 1mdk s LEU 22 N -6.52 2.32 -0.25 3.17 0.20 -1.26 -4.65 118.68 111.69 1mdk s LEU 22 Ca 0.66 1.82 -0.02 0.00 0.69 0.00 0.00 54.13 57.27 1mdk s LEU 22 Cb -0.19 -4.17 0.11 0.00 -0.43 0.00 0.00 46.19 41.52 1mdk s LEU 22 CO 0.58 -3.04 0.24 -0.69 -0.29 0.00 0.00 176.35 173.15 1mdk s VAL 23 N -2.72 -0.33 -0.19 1.68 1.01 -0.85 -2.21 120.40 116.80 1mdk s VAL 23 Ca 0.65 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 1mdk s VAL 23 Cb -0.21 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1mdk s VAL 23 CO 0.59 -0.39 0.10 -0.69 0.00 0.00 0.00 175.10 174.70 1mdk s VAL 24 N 2.31 5.14 -0.13 2.92 1.01 -0.76 -0.46 120.40 130.45 1mdk s VAL 24 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1mdk s VAL 24 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1mdk s VAL 24 CO -0.25 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.57 1mdk s VAL 25 N 0.30 3.86 -0.44 2.92 1.01 0.53 -1.32 120.40 127.26 1mdk s VAL 25 Ca 0.06 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1mdk s VAL 25 Cb -0.12 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.71 1mdk s VAL 25 CO -0.01 0.53 0.29 -0.62 0.00 0.00 0.00 175.10 175.29 1mdk s ASP 26 N -0.06 5.64 -1.18 3.32 2.15 -1.12 -2.23 116.67 123.19 1mdk s ASP 26 Ca 0.01 -1.67 -0.17 0.00 0.43 0.00 0.00 52.55 51.15 1mdk s ASP 26 Cb -0.13 -1.99 0.11 0.00 -0.30 0.00 0.00 42.92 40.61 1mdk s ASP 26 CO 0.03 -0.59 1.51 -0.36 -0.17 0.00 0.00 175.17 175.58 1mdk s PHE 27 N 1.39 3.06 0.09 -5.34 0.40 -0.98 -2.61 117.98 113.99 1mdk s PHE 27 Ca 0.04 -1.69 0.07 0.00 -0.60 0.00 0.00 56.93 54.75 1mdk s PHE 27 Cb -0.24 -4.52 -0.04 0.00 0.51 0.00 0.00 43.02 38.73 1mdk s PHE 27 CO 0.01 -1.63 -0.12 -1.12 0.70 0.00 0.00 175.22 173.06 1mdk s SER 28 N 3.72 4.26 -0.22 1.36 0.01 -1.20 -3.08 113.70 118.55 1mdk s SER 28 Ca 0.46 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.14 1mdk s SER 28 Cb -0.00 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 1mdk s SER 28 CO 0.00 0.20 0.56 0.00 0.41 0.00 0.00 173.24 174.41 1mdk s ALA 29 N -1.14 3.56 0.40 1.44 0.00 -1.26 -4.18 121.76 120.58 1mdk s ALA 29 Ca 0.19 -0.41 0.34 0.00 0.00 0.00 0.00 51.96 52.08 1mdk s ALA 29 Cb -0.11 -2.89 1.69 0.00 0.00 0.00 0.00 23.12 21.80 1mdk s ALA 29 CO 0.11 -0.57 2.13 0.00 0.00 0.00 0.00 175.76 177.43 1mdk h THR 30 N 5.22 0.27 0.00 0.00 1.03 -1.98 -1.90 112.91 115.56 1mdk h THR 30 Ca -0.31 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1mdk h THR 30 Cb 1.14 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 1mdk h THR 30 CO 0.75 0.06 -0.73 -2.67 -0.01 0.00 0.00 175.52 172.91 1mdk n TRP 31 N -3.36 0.40 -3.42 0.00 4.27 -1.26 -4.84 117.44 109.23 1mdk n TRP 31 Ca -0.01 0.12 -0.37 0.00 -3.89 0.00 0.00 57.50 53.34 1mdk n TRP 31 Cb 0.21 -0.54 -0.07 0.00 -1.36 0.00 0.00 31.31 29.55 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 6.99 -0.93 -0.48 0.00 0.00 -1.88 -2.38 103.07 104.39 1mdk h GLY 33 Ca -0.39 0.34 0.32 0.00 0.00 0.00 0.00 47.33 47.60 1mdk h GLY 33 CO 0.75 -0.34 0.68 -2.55 0.00 0.00 0.00 176.54 175.07 1mdk h PRO 34 N -1.19 0.31 0.10 4.80 0.11 -1.94 1.19 132.00 135.38 1mdk h PRO 34 Ca -0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1mdk h PRO 34 Cb 0.70 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1mdk h PRO 34 CO 0.15 0.21 -0.05 0.00 -0.21 0.00 0.00 178.00 178.10 1mdk h ALA 35 N 1.69 -0.14 0.00 -0.75 0.00 -1.85 -3.22 119.26 114.99 1mdk h ALA 35 Ca 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1mdk h ALA 35 Cb 1.78 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1mdk h ALA 35 CO -0.43 -0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 178.43 1mdk h LYS 36 N -0.96 0.00 0.00 0.00 3.64 -0.74 -1.55 116.57 116.97 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 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1mdk h LYS 36 CO 0.02 0.01 0.00 1.98 -2.27 0.00 0.00 179.45 179.19 1mdk h MET 37 N 0.00 0.00 -0.65 1.90 4.05 0.14 -1.39 114.93 118.98 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 -2.85 1.94 0.07 1.77 5.41 -0.58 -4.47 119.36 120.66 1mdk n ILE 38 Ca -0.02 -1.20 -0.05 0.00 1.00 0.00 0.00 62.75 62.48 1mdk n ILE 38 Cb 0.09 0.06 0.14 0.00 -0.71 0.00 0.00 39.64 39.22 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 4.09 0.31 0.00 0.38 2.10 -1.42 -2.93 116.57 119.10 1mdk h LYS 39 Ca 0.00 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1mdk h LYS 39 Cb 1.52 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 1mdk h LYS 39 CO 0.27 0.76 0.00 -2.30 -2.00 0.00 0.00 179.45 176.18 1mdk n PRO 40 N -3.94 0.10 0.00 0.07 -0.02 -1.26 -2.45 135.00 127.50 1mdk n PRO 40 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1mdk n PRO 40 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.18 0.00 -0.36 6.00 3.01 -1.11 -4.11 117.46 119.71 1mdk n PHE 41 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.46 1mdk n PHE 41 Cb 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.13 -0.39 1.38 3.57 -1.65 0.42 116.94 119.14 1mdk h PHE 42 Ca 0.00 0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 1mdk h PHE 42 Cb 0.00 0.63 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1mdk h PHE 42 CO 0.00 -0.40 -0.16 1.25 -2.23 0.00 0.00 178.31 176.77 1mdk h HIS 43 N -0.03 0.80 -0.77 0.41 2.76 -1.73 -2.89 115.15 113.70 1mdk h HIS 43 Ca 0.32 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1mdk h HIS 43 Cb 0.58 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1mdk h HIS 43 CO -0.85 0.84 0.43 0.66 -1.30 0.00 0.00 177.93 177.70 1mdk h SER 44 N 0.65 0.95 0.00 3.26 4.64 -0.32 -0.64 113.55 122.09 1mdk h SER 44 Ca 0.10 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1mdk h SER 44 Cb 0.63 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1mdk h SER 44 CO 0.04 0.76 0.29 0.18 -0.87 0.00 0.00 176.83 177.24 1mdk n LEU 45 N -4.36 0.30 -0.19 5.97 4.77 -0.05 -0.71 117.00 122.73 1mdk n LEU 45 Ca 0.08 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 1mdk n LEU 45 Cb 0.09 -0.48 0.34 0.00 -2.33 0.00 0.00 43.42 41.05 1mdk n LEU 45 CO 0.38 -0.63 1.22 0.28 -1.33 0.00 0.00 177.39 177.31 1mdk h SER 46 N 0.00 0.69 0.46 -1.43 0.02 -1.24 0.52 113.55 112.57 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 0.58 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1mdk h SER 46 CO 0.00 0.45 -1.18 -0.62 -1.14 0.00 0.00 176.83 174.34 1mdk n GLU 47 N -4.48 0.40 0.06 3.45 1.02 0.11 -3.60 120.64 117.61 1mdk n GLU 47 Ca 0.11 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1mdk n GLU 47 Cb 0.21 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.14 0.62 -3.21 3.49 3.00 -0.71 -4.48 118.16 114.73 1mdk n LYS 48 Ca 0.01 0.13 -0.23 0.00 -0.00 0.00 0.00 58.31 58.22 1mdk n LYS 48 Cb 0.48 -1.78 -0.06 0.00 0.00 0.00 0.00 35.03 33.67 1mdk n LYS 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1mdk n TYR 49 N -2.73 0.74 0.56 5.64 4.01 0.17 -4.90 117.16 120.66 1mdk n TYR 49 Ca -0.06 -3.75 0.05 0.00 -0.16 0.00 0.00 57.90 53.98 1mdk n TYR 49 Cb 0.70 -0.41 0.28 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.90 0.00 -0.52 7.72 3.41 -1.24 -1.06 113.62 122.84 1mdk n SER 50 Ca 0.24 -0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1mdk n SER 50 Cb 0.53 -0.15 0.30 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.15 1.77 -4.47 4.04 5.15 -1.26 -4.56 115.26 114.78 1mdk n ASN 51 Ca 0.06 -1.44 -0.30 0.00 -0.60 0.00 0.00 54.58 52.31 1mdk n ASN 51 Cb 0.06 0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.32 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 -2.23 2.77 -0.23 3.44 1.01 -0.22 -4.55 120.40 120.38 1mdk s VAL 52 Ca 0.29 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 1mdk s VAL 52 Cb 0.20 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1mdk s VAL 52 CO 0.42 0.16 0.22 -0.63 0.00 0.00 0.00 175.10 175.28 1mdk s ILE 53 N -1.08 5.32 -0.15 2.22 -1.09 -0.94 -4.31 121.20 121.18 1mdk s ILE 53 Ca 0.17 0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 1mdk s ILE 53 Cb -0.10 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1mdk s ILE 53 CO 0.08 0.32 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.68 1mdk s PHE 54 N 1.10 2.94 0.47 3.97 0.08 -1.20 -1.82 117.98 123.52 1mdk s PHE 54 Ca 0.11 -0.48 0.06 0.00 0.12 0.00 0.00 56.93 56.74 1mdk s PHE 54 Cb -0.14 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1mdk s PHE 54 CO 0.05 -0.15 0.29 -0.51 -0.10 0.00 0.00 175.22 174.81 1mdk s LEU 55 N 0.46 2.97 -0.01 -0.37 1.02 -0.44 -1.17 118.68 121.13 1mdk s LEU 55 Ca -0.06 -1.11 -0.07 0.00 0.02 0.00 0.00 54.13 52.91 1mdk s LEU 55 Cb -0.15 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.64 1mdk s LEU 55 CO 0.04 -0.80 0.15 -0.70 0.02 0.00 0.00 176.35 175.06 1mdk s GLU 56 N -4.09 0.43 -0.01 1.70 2.12 -0.47 -2.80 118.70 115.58 1mdk s GLU 56 Ca 0.38 -0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 1mdk s GLU 56 Cb 0.00 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1mdk s GLU 56 CO 0.22 -0.10 0.05 0.08 -0.54 0.00 0.00 175.26 174.98 1mdk s VAL 57 N -1.09 0.03 -0.81 3.70 1.01 -1.07 -1.81 120.40 120.35 1mdk s VAL 57 Ca -0.12 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1mdk s VAL 57 Cb -0.06 -0.16 0.20 0.00 0.00 0.00 0.00 36.38 36.36 1mdk s VAL 57 CO 0.01 -0.12 0.79 -0.62 0.00 0.00 0.00 175.10 175.16 1mdk s ASP 58 N -0.36 6.70 0.00 3.32 -1.08 -1.26 -3.21 116.67 120.78 1mdk s ASP 58 Ca -0.04 -2.54 0.00 0.00 -0.52 0.00 0.00 52.55 49.45 1mdk s ASP 58 Cb -0.03 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1mdk s ASP 58 CO 0.00 -0.65 0.47 1.33 0.52 0.00 0.00 175.17 176.83 1mdk n VAL 59 N 4.25 0.38 -0.07 1.11 0.24 -1.26 -0.08 118.33 122.90 1mdk n VAL 59 Ca 0.13 0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.48 1mdk n VAL 59 Cb 0.47 -1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.97 2.86 0.03 -1.34 8.00 -1.26 -4.46 116.55 119.41 1mdk n ASP 60 Ca 0.00 -0.05 0.11 0.00 0.71 0.00 0.00 54.79 55.56 1mdk n ASP 60 Cb 0.06 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.93 0.33 -2.41 -2.24 2.03 -0.71 -4.28 116.55 106.35 1mdk n ASP 61 Ca -0.23 0.04 -0.30 0.00 0.52 0.00 0.00 54.79 54.82 1mdk n ASP 61 Cb 0.74 1.41 0.03 0.00 -0.72 0.00 0.00 41.12 42.58 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 -2.17 5.55 0.12 -1.67 0.00 0.88 -4.77 120.51 118.44 1mdk n ALA 62 Ca -0.02 -4.00 0.05 0.00 0.00 0.00 0.00 53.44 49.47 1mdk n ALA 62 Cb 0.54 -0.96 0.28 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.63 0.07 -0.08 0.00 6.02 -1.26 -0.73 117.38 120.78 1mdk n GLN 63 Ca 0.47 0.51 -0.15 0.00 -0.01 0.00 0.00 57.00 57.83 1mdk n GLN 63 Cb 0.67 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 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 0.85 -0.05 1.08 2.03 -1.93 0.20 116.42 118.59 1mdk h ASP 64 Ca 0.00 -0.53 -0.11 0.00 -0.73 0.00 0.00 57.03 55.66 1mdk h ASP 64 Cb 0.45 -0.24 0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1mdk h ASP 64 CO 0.00 1.22 -0.39 0.58 -1.03 0.00 0.00 179.24 179.61 1mdk h VAL 65 N 0.51 1.43 -0.34 4.15 2.07 -1.31 -2.28 116.25 120.49 1mdk h VAL 65 Ca 0.02 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1mdk h VAL 65 Cb 1.06 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 1mdk h VAL 65 CO 0.10 0.53 0.05 0.00 0.02 0.00 0.00 177.57 178.27 1mdk h ALA 66 N 0.40 1.46 -0.28 1.67 0.00 -1.55 -1.14 119.26 119.81 1mdk h ALA 66 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mdk h ALA 66 Cb 1.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1mdk h ALA 66 CO 0.08 0.39 0.07 0.77 0.00 0.00 0.00 179.25 180.56 1mdk h SER 67 N 0.49 0.42 -0.63 0.00 0.02 -0.53 1.04 113.55 114.36 1mdk h SER 67 Ca 0.11 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1mdk h SER 67 Cb 0.25 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1mdk h SER 67 CO 0.00 0.54 0.21 -0.08 -1.14 0.00 0.00 176.83 176.36 1mdk h GLU 68 N 0.28 1.01 -0.01 3.45 4.57 -0.91 -2.01 114.58 120.96 1mdk h GLU 68 Ca 0.09 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1mdk h GLU 68 Cb 0.29 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1mdk h GLU 68 CO 0.00 0.86 -0.21 0.00 -1.18 0.00 0.00 179.01 178.48 1mdk n ALA 69 N -2.45 2.97 -3.71 2.92 0.00 -0.48 -4.96 120.51 114.81 1mdk n ALA 69 Ca 0.05 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 1mdk n ALA 69 Cb 0.22 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.76 -1.38 -2.70 0.00 1.02 0.35 -4.90 120.64 112.28 1mdk n GLU 70 Ca 0.13 0.44 -0.41 0.00 -0.02 0.00 0.00 57.16 57.31 1mdk n GLU 70 Cb 0.33 -4.12 -0.05 0.00 -0.02 0.00 0.00 31.44 27.58 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 -3.50 4.18 0.00 2.62 1.01 -0.85 -4.92 120.40 118.94 1mdk s VAL 71 Ca 0.44 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.41 1mdk s VAL 71 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1mdk s VAL 71 CO 0.87 0.40 0.20 0.29 0.00 0.00 0.00 175.10 176.85 1mdk n LYS 72 N 2.07 0.20 -3.68 2.72 5.02 -1.26 -4.99 118.16 118.24 1mdk n LYS 72 Ca 0.00 -0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 1mdk n LYS 72 Cb 0.48 -0.65 -0.10 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.08 -1.15 0.13 7.82 0.00 -1.26 -5.16 121.76 122.05 1mdk s ALA 73 Ca 0.00 1.60 0.07 0.00 0.00 0.00 0.00 51.96 53.63 1mdk s ALA 73 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1mdk s ALA 73 CO 0.00 -0.41 -0.03 0.95 0.00 0.00 0.00 175.76 176.27 1mdk s THR 74 N 1.75 3.67 0.34 0.00 -4.23 -1.26 -3.73 115.64 112.19 1mdk s THR 74 Ca -0.08 -1.27 -0.26 0.00 -1.18 0.00 0.00 61.69 58.90 1mdk s THR 74 Cb -0.09 -2.78 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 1mdk s THR 74 CO -0.13 0.02 1.01 -2.16 -0.54 0.00 0.00 174.62 172.81 1mdk s PRO 75 N -2.56 4.46 -0.23 3.99 0.04 -1.26 -4.79 135.00 134.66 1mdk s PRO 75 Ca 0.25 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1mdk s PRO 75 Cb -0.10 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1mdk s PRO 75 CO 0.17 0.13 -0.08 0.99 0.04 0.00 0.00 177.00 178.26 1mdk s THR 76 N -1.53 2.95 -0.23 1.26 2.01 -1.18 -2.90 115.64 116.03 1mdk s THR 76 Ca 0.51 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 1mdk s THR 76 Cb -0.22 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1mdk s THR 76 CO 0.28 0.34 0.46 -0.36 -0.69 0.00 0.00 174.62 174.66 1mdk s PHE 77 N 1.38 3.32 -0.07 4.92 0.08 -0.38 -2.31 117.98 124.92 1mdk s PHE 77 Ca 0.03 0.63 0.05 0.00 0.12 0.00 0.00 56.93 57.77 1mdk s PHE 77 Cb -0.15 -2.63 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 1mdk s PHE 77 CO -0.05 -0.15 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.03 1mdk s GLN 78 N 1.80 2.73 -0.18 0.44 -0.21 -0.95 -0.14 119.66 123.15 1mdk s GLN 78 Ca 0.20 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 1mdk s GLN 78 Cb -0.15 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.63 1mdk s GLN 78 CO 0.09 0.29 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.48 1mdk s PHE 79 N 0.05 3.04 0.22 0.91 0.40 -0.32 -0.34 117.98 121.94 1mdk s PHE 79 Ca -0.10 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1mdk s PHE 79 Cb -0.15 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1mdk s PHE 79 CO 0.06 -0.16 -0.17 -0.06 0.70 0.00 0.00 175.22 175.58 1mdk s PHE 80 N 0.77 1.93 -0.23 0.36 0.08 0.39 -2.11 117.98 119.17 1mdk s PHE 80 Ca -0.00 -0.47 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 1mdk s PHE 80 Cb -0.14 -0.89 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 1mdk s PHE 80 CO 0.02 0.47 0.51 0.21 -0.10 0.00 0.00 175.22 176.32 1mdk s LYS 81 N -3.39 0.45 -1.53 0.44 2.20 0.16 -2.00 119.74 116.07 1mdk s LYS 81 Ca 0.23 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 1mdk s LYS 81 Cb -0.03 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1mdk s LYS 81 CO 0.09 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.51 1mdk n LYS 82 N 5.02 -1.79 -0.73 4.03 5.02 -1.26 0.00 118.16 128.45 1mdk n LYS 82 Ca -0.14 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mdk n LYS 82 Cb 0.52 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.12 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 -0.76 0.81 3.64 0.72 0.00 -1.26 -4.99 105.19 103.36 1mdk n GLY 83 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.27 2.51 0.18 1.61 -0.21 0.10 -5.11 119.66 118.48 1mdk s GLN 84 Ca 0.00 -0.80 -0.21 0.00 0.02 0.00 0.00 55.36 54.37 1mdk s GLN 84 Cb 0.00 -2.51 -0.08 0.00 1.00 0.00 0.00 33.01 31.42 1mdk s GLN 84 CO 0.00 0.57 0.71 0.21 -2.12 0.00 0.00 175.29 174.65 1mdk s LYS 85 N -1.92 4.32 0.00 2.91 2.20 -1.26 0.39 119.74 126.39 1mdk s LYS 85 Ca 0.21 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1mdk s LYS 85 Cb -0.11 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1mdk s LYS 85 CO 0.13 0.49 0.00 1.33 -0.36 0.00 0.00 175.35 176.94 1mdk n VAL 86 N 1.15 0.00 0.00 4.02 0.24 -0.90 -4.91 118.33 117.92 1mdk n VAL 86 Ca -0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1mdk n VAL 86 Cb 0.50 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.32 -0.09 3.58 7.63 0.00 -1.24 -5.03 105.19 111.36 1mdk n GLY 87 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 0.42 -0.29 1.61 4.04 -1.26 -1.17 118.70 120.05 1mdk s GLU 88 Ca 0.00 -0.05 -0.19 0.00 0.04 0.00 0.00 54.97 54.77 1mdk s GLU 88 Cb 0.00 0.20 0.13 0.00 0.02 0.00 0.00 34.13 34.48 1mdk s GLU 88 CO 0.00 -0.16 0.98 -0.59 -1.84 0.00 0.00 175.26 173.65 1mdk s PHE 89 N -1.92 -0.56 0.06 4.83 -0.12 0.81 -4.99 117.98 116.08 1mdk s PHE 89 Ca 0.06 1.20 0.01 0.00 -0.05 0.00 0.00 56.93 58.14 1mdk s PHE 89 Cb -0.01 0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 1mdk s PHE 89 CO -0.04 -0.28 0.07 -1.13 -0.05 0.00 0.00 175.22 173.79 1mdk n SER 90 N 3.21 0.62 -0.02 1.98 3.41 -1.26 -1.24 113.62 120.31 1mdk n SER 90 Ca -0.16 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1mdk n SER 90 Cb 0.57 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 4.27 0.01 3.55 5.00 0.00 -1.14 -4.79 105.19 112.09 1mdk n GLY 91 Ca 0.01 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 1.85 0.45 -3.35 4.61 0.00 -1.26 -4.75 120.51 118.06 1mdk n ALA 92 Ca 0.00 -1.29 -0.26 0.00 0.00 0.00 0.00 53.44 51.89 1mdk n ALA 92 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 19.45 16.17 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 17.19 -0.34 0.02 0.00 2.85 -1.26 -4.97 115.26 128.75 1mdk n ASN 93 Ca 0.48 -2.44 0.00 0.00 -0.11 0.00 0.00 54.58 52.51 1mdk n ASN 93 Cb 0.41 -0.57 0.32 0.00 1.24 0.00 0.00 39.78 41.18 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 5.27 0.46 0.00 1.20 -0.00 -1.98 -1.81 116.57 119.72 1mdk h LYS 94 Ca 0.23 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.65 60.75 1mdk h LYS 94 Cb 0.90 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 33.06 1mdk h LYS 94 CO 0.39 0.51 -0.13 0.93 -0.00 0.00 0.00 179.45 181.16 1mdk h GLU 95 N 0.45 0.00 -0.33 0.07 5.08 -1.99 -2.11 114.58 115.74 1mdk h GLU 95 Ca 0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1mdk h GLU 95 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1mdk h GLU 95 CO 0.01 0.13 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.58 1mdk h LYS 96 N 0.00 0.74 -0.82 2.33 3.64 -1.75 -2.67 116.57 118.05 1mdk h LYS 96 Ca -0.00 -0.36 0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1mdk h LYS 96 Cb 0.32 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1mdk h LYS 96 CO 0.02 0.97 0.54 -0.07 -2.27 0.00 0.00 179.45 178.64 1mdk h LEU 97 N 0.62 0.51 0.63 5.20 3.38 -1.39 0.35 115.31 124.61 1mdk h LEU 97 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.88 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1mdk h LEU 97 CO 0.08 0.26 -0.30 -0.08 0.09 0.00 0.00 178.44 178.49 1mdk h GLU 98 N 0.54 -0.82 -0.81 1.13 4.57 -1.54 0.09 114.58 117.75 1mdk h GLU 98 Ca 0.41 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.66 1mdk h GLU 98 Cb 0.79 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.52 1mdk h GLU 98 CO -0.16 -0.51 0.53 0.00 -1.18 0.00 0.00 179.01 177.69 1mdk h ALA 99 N -1.04 1.06 -0.22 2.92 0.00 -1.32 -0.97 119.26 119.69 1mdk h ALA 99 Ca -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1mdk h ALA 99 Cb 0.68 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1mdk h ALA 99 CO 0.14 0.39 0.03 1.15 0.00 0.00 0.00 179.25 180.96 1mdk h THR 100 N 1.05 1.23 0.23 0.00 2.02 -0.34 -1.24 112.91 115.87 1mdk h THR 100 Ca 0.31 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1mdk h THR 100 Cb -0.05 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1mdk h THR 100 CO -0.09 0.24 -0.11 0.40 0.37 0.00 0.00 175.52 176.32 1mdk h ILE 101 N 0.16 0.77 0.00 3.11 2.04 -0.69 -0.50 117.51 122.40 1mdk h ILE 101 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1mdk h ILE 101 Cb 0.32 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1mdk h ILE 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 178.15 177.02 1mdk h ASN 102 N -0.32 0.00 0.16 1.72 -0.73 -1.13 0.10 115.58 115.38 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 0.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1mdk h ASN 102 CO 0.05 0.00 -0.08 -0.08 -0.37 0.00 0.00 177.43 176.96 1mdk h GLU 103 N 0.00 -0.20 -0.77 6.67 4.57 0.15 -3.32 114.58 121.68 1mdk h GLU 103 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1mdk h GLU 103 Cb 0.06 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1mdk h GLU 103 CO 0.00 -0.13 0.02 1.28 -1.18 0.00 0.00 179.01 179.00 1mdk n LEU 104 N -4.88 3.88 0.00 1.64 4.77 -0.88 -5.10 117.00 116.42 1mdk n LEU 104 Ca -0.03 -1.97 0.04 0.00 -0.03 0.00 0.00 56.01 54.02 1mdk n LEU 104 Cb 0.08 -0.62 0.22 0.00 -2.33 0.00 0.00 43.42 40.78 1mdk n LEU 104 CO 0.06 0.49 0.45 0.55 -1.33 0.00 0.00 177.39 177.62