#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 5.11 -0.21 2.03 1.01 -1.26 -1.64 120.40 125.45 1mdk s VAL 2 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1mdk s VAL 2 Cb 0.00 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1mdk s VAL 2 CO 0.00 -0.53 0.49 -0.75 0.00 0.00 0.00 175.10 174.31 1mdk s LYS 3 N -4.25 0.47 -0.06 2.72 2.20 -0.77 -4.94 119.74 115.10 1mdk s LYS 3 Ca 0.40 0.97 -0.22 0.00 -0.36 0.00 0.00 55.97 56.75 1mdk s LYS 3 Cb -0.10 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 1mdk s LYS 3 CO 0.35 -0.17 0.66 -1.14 -0.36 0.00 0.00 175.35 174.69 1mdk s GLN 4 N 1.74 4.41 -0.69 4.03 0.74 -1.26 -1.70 119.66 126.93 1mdk s GLN 4 Ca -0.08 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.14 1mdk s GLN 4 Cb -0.08 -3.43 0.17 0.00 1.10 0.00 0.00 33.01 30.77 1mdk s GLN 4 CO -0.15 0.14 0.50 0.42 -0.55 0.00 0.00 175.29 175.65 1mdk s ILE 5 N 0.58 3.52 -2.43 -2.34 -1.09 -0.46 -4.87 121.20 114.11 1mdk s ILE 5 Ca 0.35 -3.50 0.22 0.00 -2.23 0.00 0.00 60.65 55.49 1mdk s ILE 5 Cb -0.18 -3.28 0.42 0.00 -1.58 0.00 0.00 42.46 37.84 1mdk s ILE 5 CO 0.17 -0.94 1.46 -0.62 -1.23 0.00 0.00 174.94 173.78 1mdk n GLU 6 N 2.85 2.15 -3.74 2.79 1.02 -1.26 -4.36 120.64 120.08 1mdk n GLU 6 Ca 0.13 -1.73 -0.13 0.00 -0.02 0.00 0.00 57.16 55.40 1mdk n GLU 6 Cb 0.36 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.56 -0.37 0.51 1.62 1.04 -1.26 -4.56 113.70 109.12 1mdk s SER 7 Ca 0.35 0.66 0.28 0.00 0.48 0.00 0.00 55.95 57.72 1mdk s SER 7 Cb 0.20 0.70 1.39 0.00 0.10 0.00 0.00 66.02 68.41 1mdk s SER 7 CO 0.29 -0.18 1.89 0.50 0.98 0.00 0.00 173.24 176.72 1mdk h LYS 8 N 5.29 0.08 -0.62 4.02 3.64 -1.91 0.82 116.57 127.90 1mdk h LYS 8 Ca -0.27 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1mdk h LYS 8 Cb 1.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1mdk h LYS 8 CO 0.29 0.05 0.41 1.15 -2.27 0.00 0.00 179.45 179.08 1mdk h THR 9 N 0.08 1.15 0.00 1.00 2.02 -1.99 -1.68 112.91 113.49 1mdk h THR 9 Ca 0.42 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 1mdk h THR 9 Cb 1.53 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1mdk h THR 9 CO -0.04 0.15 -0.30 0.00 0.37 0.00 0.00 175.52 175.69 1mdk h ALA 10 N 1.23 1.10 0.26 6.16 0.00 -1.23 -2.96 119.26 123.82 1mdk h ALA 10 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1mdk h ALA 10 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1mdk h ALA 10 CO -0.05 0.38 -0.13 0.35 0.00 0.00 0.00 179.25 179.80 1mdk h PHE 11 N 0.00 -0.33 -0.70 0.00 3.57 -0.97 0.32 116.94 118.83 1mdk h PHE 11 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1mdk h PHE 11 Cb 0.74 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1mdk h PHE 11 CO 0.00 -0.21 0.32 1.96 -2.23 0.00 0.00 178.31 178.15 1mdk h GLN 12 N -0.36 0.51 -0.71 1.11 1.08 -1.61 0.23 115.11 115.36 1mdk h GLN 12 Ca -0.04 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1mdk h GLN 12 Cb 0.27 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1mdk h GLN 12 CO 0.06 0.34 0.47 0.93 -0.95 0.00 0.00 178.83 179.68 1mdk h GLU 13 N 0.53 0.89 -0.37 1.46 5.08 -1.43 -1.77 114.58 118.97 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 0.43 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1mdk h GLU 13 CO -0.31 0.59 0.24 0.00 -1.00 0.00 0.00 179.01 178.53 1mdk h ALA 14 N 1.57 0.46 -0.34 3.43 0.00 0.18 0.88 119.26 125.44 1mdk h ALA 14 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1mdk h ALA 14 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mdk h ALA 14 CO -0.07 -0.07 0.12 -0.07 0.00 0.00 0.00 179.25 179.15 1mdk h LEU 15 N 0.49 0.49 -0.68 0.00 3.38 -1.07 0.41 115.31 118.33 1mdk h LEU 15 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1mdk h LEU 15 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1mdk h LEU 15 CO -0.03 0.55 0.27 -0.78 0.09 0.00 0.00 178.44 178.54 1mdk h ASP 16 N 0.40 0.94 1.27 -0.43 3.58 -1.07 -1.80 116.42 119.30 1mdk h ASP 16 Ca 0.11 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1mdk h ASP 16 Cb 0.23 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1mdk h ASP 16 CO -0.01 0.85 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 1mdk n ALA 17 N -2.39 2.26 0.53 -0.78 0.00 0.28 -3.09 120.51 117.32 1mdk n ALA 17 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1mdk n ALA 17 Cb 0.17 -1.46 0.30 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 -1.68 1.67 -0.44 0.00 0.00 0.14 -4.92 120.51 115.27 1mdk n ALA 18 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1mdk n ALA 18 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.16 2.02 0.00 0.00 0.00 -1.18 -3.19 105.19 102.68 1mdk n GLY 19 Ca 0.05 -0.04 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 10.32 0.14 -4.68 1.61 8.00 -1.26 -4.45 116.55 126.23 1mdk n ASP 20 Ca 0.00 -1.03 -0.29 0.00 0.71 0.00 0.00 54.79 54.18 1mdk n ASP 20 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.03 0.61 0.99 -1.24 1.02 -1.19 -4.74 119.74 115.15 1mdk s LYS 21 Ca 0.00 0.63 -0.12 0.00 0.02 0.00 0.00 55.97 56.50 1mdk s LYS 21 Cb 0.00 -1.75 0.18 0.00 -0.52 0.00 0.00 37.83 35.74 1mdk s LYS 21 CO 0.00 -2.63 1.08 -1.17 -0.92 0.00 0.00 175.35 171.71 1mdk s LEU 22 N -6.42 1.95 -0.24 3.17 0.20 -1.26 -4.66 118.68 111.42 1mdk s LEU 22 Ca 0.65 1.68 -0.03 0.00 0.69 0.00 0.00 54.13 57.12 1mdk s LEU 22 Cb -0.19 -3.92 0.11 0.00 -0.43 0.00 0.00 46.19 41.76 1mdk s LEU 22 CO 0.58 -3.27 0.23 -0.69 -0.29 0.00 0.00 176.35 172.91 1mdk s VAL 23 N -2.71 -0.33 -0.16 1.68 1.01 -0.83 -2.07 120.40 117.00 1mdk s VAL 23 Ca 0.66 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1mdk s VAL 23 Cb -0.21 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1mdk s VAL 23 CO 0.60 -0.33 0.07 -0.69 0.00 0.00 0.00 175.10 174.74 1mdk s VAL 24 N 2.32 4.84 -0.10 2.92 1.01 -0.74 -0.69 120.40 129.96 1mdk s VAL 24 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1mdk s VAL 24 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1mdk s VAL 24 CO -0.20 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.64 1mdk s VAL 25 N 0.06 3.75 -0.42 2.92 1.01 -0.10 -1.27 120.40 126.36 1mdk s VAL 25 Ca 0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1mdk s VAL 25 Cb -0.12 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.79 1mdk s VAL 25 CO 0.01 0.57 0.25 -0.62 0.00 0.00 0.00 175.10 175.30 1mdk s ASP 26 N -0.44 5.48 -1.18 3.32 2.15 -1.15 -2.65 116.67 122.20 1mdk s ASP 26 Ca 0.07 -1.77 -0.17 0.00 0.43 0.00 0.00 52.55 51.10 1mdk s ASP 26 Cb -0.12 -1.92 0.12 0.00 -0.30 0.00 0.00 42.92 40.69 1mdk s ASP 26 CO 0.02 -0.57 1.51 -0.36 -0.17 0.00 0.00 175.17 175.61 1mdk s PHE 27 N 1.30 3.08 0.11 -5.34 0.40 -1.10 -2.72 117.98 113.71 1mdk s PHE 27 Ca 0.05 -1.71 0.08 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 38.74 1mdk s PHE 27 CO -0.01 -1.62 -0.13 -1.12 0.70 0.00 0.00 175.22 173.04 1mdk s SER 28 N 3.69 4.20 -0.21 1.36 0.01 -1.20 -3.14 113.70 118.40 1mdk s SER 28 Ca 0.46 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 1mdk s SER 28 Cb -0.00 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1mdk s SER 28 CO 0.01 0.18 0.51 0.00 0.41 0.00 0.00 173.24 174.34 1mdk s ALA 29 N -1.20 3.55 0.39 1.44 0.00 -1.26 -4.28 121.76 120.40 1mdk s ALA 29 Ca 0.20 -0.45 0.31 0.00 0.00 0.00 0.00 51.96 52.02 1mdk s ALA 29 Cb -0.11 -2.82 1.55 0.00 0.00 0.00 0.00 23.12 21.75 1mdk s ALA 29 CO 0.12 -0.49 2.09 0.00 0.00 0.00 0.00 175.76 177.48 1mdk h THR 30 N 5.17 0.39 0.00 0.00 1.03 -1.98 -1.81 112.91 115.71 1mdk h THR 30 Ca -0.33 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.59 1mdk h THR 30 Cb 1.15 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 1mdk h THR 30 CO 0.73 0.09 -0.53 -2.67 -0.01 0.00 0.00 175.52 173.12 1mdk n TRP 31 N -3.45 0.19 -3.55 0.00 4.27 -1.26 -4.82 117.44 108.81 1mdk n TRP 31 Ca -0.01 0.05 -0.37 0.00 -3.89 0.00 0.00 57.50 53.28 1mdk n TRP 31 Cb 0.23 -0.40 -0.08 0.00 -1.36 0.00 0.00 31.31 29.71 1mdk n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mdk h GLY 33 N 7.05 -0.59 -0.42 0.00 0.00 -1.88 -2.67 103.07 104.57 1mdk h GLY 33 Ca -0.39 0.22 0.32 0.00 0.00 0.00 0.00 47.33 47.48 1mdk h GLY 33 CO 0.73 -0.21 0.75 -2.55 0.00 0.00 0.00 176.54 175.26 1mdk h PRO 34 N -0.93 0.24 0.12 4.80 0.11 -1.94 1.18 132.00 135.59 1mdk h PRO 34 Ca -0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1mdk h PRO 34 Cb 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1mdk h PRO 34 CO 0.09 0.16 -0.06 0.00 -0.21 0.00 0.00 178.00 177.99 1mdk h ALA 35 N 1.57 -0.18 0.00 -0.75 0.00 -1.85 -3.25 119.26 114.80 1mdk h ALA 35 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1mdk h ALA 35 Cb 1.91 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1mdk h ALA 35 CO -0.27 -0.17 0.02 -0.22 0.00 0.00 0.00 179.25 178.61 1mdk h LYS 36 N -0.92 0.00 0.00 0.00 3.64 -1.03 -1.82 116.57 116.44 1mdk h LYS 36 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1mdk h LYS 36 Cb 0.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1mdk h LYS 36 CO 0.03 0.00 -0.04 1.98 -2.27 0.00 0.00 179.45 179.15 1mdk h MET 37 N 0.00 0.00 -0.64 1.90 4.05 0.14 -1.19 114.93 119.18 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 0.04 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1mdk h MET 37 CO 0.00 0.04 0.00 -0.89 0.23 0.00 0.00 176.91 176.29 1mdk n ILE 38 N -4.27 2.04 0.10 1.77 5.41 -0.69 -4.42 119.36 119.31 1mdk n ILE 38 Ca -0.03 -1.11 -0.03 0.00 1.00 0.00 0.00 62.75 62.57 1mdk n ILE 38 Cb 0.12 -0.17 0.17 0.00 -0.71 0.00 0.00 39.64 39.05 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 3.43 0.18 0.00 0.38 2.10 -1.36 -2.88 116.57 118.42 1mdk h LYS 39 Ca 0.00 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1mdk h LYS 39 Cb 1.58 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1mdk h LYS 39 CO 0.34 0.69 0.00 -2.30 -2.00 0.00 0.00 179.45 176.17 1mdk n PRO 40 N -3.91 0.08 0.00 0.07 -0.02 -1.26 -2.37 135.00 127.59 1mdk n PRO 40 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 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 -0.31 6.00 3.01 -1.10 -4.03 117.46 119.84 1mdk n PHE 41 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.41 1mdk n PHE 41 Cb 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.45 -0.05 1.38 3.57 -1.62 0.48 116.94 119.24 1mdk h PHE 42 Ca 0.00 0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 42 Cb 0.00 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1mdk h PHE 42 CO 0.00 -0.41 -0.32 1.25 -2.23 0.00 0.00 178.31 176.61 1mdk h HIS 43 N -0.11 0.11 -0.73 0.41 2.76 -1.73 -2.84 115.15 113.02 1mdk h HIS 43 Ca 0.21 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 1mdk h HIS 43 Cb 0.53 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1mdk h HIS 43 CO -0.85 0.41 0.21 1.03 -1.30 0.00 0.00 177.93 177.42 1mdk h SER 44 N 0.09 1.09 0.00 3.26 0.87 -0.19 -1.87 113.55 116.79 1mdk h SER 44 Ca 0.01 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1mdk h SER 44 Cb 0.61 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1mdk h SER 44 CO 0.04 1.02 0.42 -0.07 -0.53 0.00 0.00 176.83 177.71 1mdk h LEU 45 N 1.10 0.00 -1.86 2.23 3.38 -0.74 0.13 115.31 119.55 1mdk h LEU 45 Ca 0.23 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1mdk h LEU 45 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1mdk h LEU 45 CO -0.00 0.00 0.25 0.28 0.09 0.00 0.00 178.44 179.06 1mdk h SER 46 N 0.00 0.15 0.33 -0.43 0.02 -1.48 0.38 113.55 112.52 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 0.83 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1mdk h SER 46 CO 0.00 0.10 -1.60 -0.62 -1.14 0.00 0.00 176.83 173.56 1mdk n GLU 47 N -4.47 0.60 0.05 3.45 1.02 0.46 -3.86 120.64 117.89 1mdk n GLU 47 Ca 0.05 -0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1mdk n GLU 47 Cb 0.32 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mdk n LYS 48 N -2.34 0.62 -3.23 3.49 4.81 -0.67 -4.47 118.16 116.36 1mdk n LYS 48 Ca -0.02 0.16 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 1mdk n LYS 48 Cb 0.55 -1.78 -0.06 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.77 1.52 0.53 5.64 4.01 0.12 -4.88 117.16 121.33 1mdk n TYR 49 Ca -0.07 -3.84 0.05 0.00 -0.16 0.00 0.00 57.90 53.88 1mdk n TYR 49 Cb 0.74 -0.44 0.27 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 0.83 0.00 -0.63 7.72 3.41 -1.25 -0.94 113.62 122.76 1mdk n SER 50 Ca 0.26 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.97 1mdk n SER 50 Cb 0.50 -0.18 0.26 0.00 -0.26 0.00 0.00 64.21 64.53 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 2.08 -4.50 4.04 5.15 -1.26 -4.45 115.26 115.13 1mdk n ASN 51 Ca 0.06 -1.60 -0.30 0.00 -0.60 0.00 0.00 54.58 52.14 1mdk n ASN 51 Cb 0.06 0.10 -0.11 0.00 -0.53 0.00 0.00 39.78 39.30 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 -2.15 2.94 -0.20 3.44 1.01 -0.11 -4.57 120.40 120.76 1mdk s VAL 52 Ca 0.29 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1mdk s VAL 52 Cb 0.20 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1mdk s VAL 52 CO 0.39 0.14 0.20 -0.63 0.00 0.00 0.00 175.10 175.20 1mdk s ILE 53 N -1.12 5.36 -0.11 2.22 -1.09 -0.88 -3.04 121.20 122.54 1mdk s ILE 53 Ca 0.18 0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.94 1mdk s ILE 53 Cb -0.11 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1mdk s ILE 53 CO 0.10 0.40 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.69 1mdk s PHE 54 N 0.59 2.73 0.43 3.97 0.08 -0.65 -1.79 117.98 123.34 1mdk s PHE 54 Ca 0.11 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.62 1mdk s PHE 54 Cb -0.12 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1mdk s PHE 54 CO 0.01 -0.16 0.19 -0.51 -0.10 0.00 0.00 175.22 174.65 1mdk s LEU 55 N 0.10 3.02 -0.05 -0.37 1.02 -0.39 -1.85 118.68 120.15 1mdk s LEU 55 Ca -0.07 -1.14 -0.04 0.00 0.02 0.00 0.00 54.13 52.89 1mdk s LEU 55 Cb -0.15 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.72 1mdk s LEU 55 CO 0.05 -0.61 0.14 -0.70 0.02 0.00 0.00 176.35 175.24 1mdk s GLU 56 N -3.93 0.15 -0.01 1.70 2.12 -0.69 -2.91 118.70 115.12 1mdk s GLU 56 Ca 0.38 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.95 1mdk s GLU 56 Cb 0.03 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.46 1mdk s GLU 56 CO 0.21 -0.04 -0.07 0.08 -0.54 0.00 0.00 175.26 174.90 1mdk s VAL 57 N 0.25 0.55 -0.55 3.70 1.01 -1.10 -1.35 120.40 122.90 1mdk s VAL 57 Ca -0.01 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1mdk s VAL 57 Cb -0.03 -0.48 0.14 0.00 0.00 0.00 0.00 36.38 36.01 1mdk s VAL 57 CO -0.01 0.17 0.50 -0.62 0.00 0.00 0.00 175.10 175.14 1mdk s ASP 58 N 0.01 6.17 0.23 3.32 2.15 -1.26 -3.25 116.67 124.03 1mdk s ASP 58 Ca 0.00 -1.89 0.11 0.00 0.43 0.00 0.00 52.55 51.20 1mdk s ASP 58 Cb -0.05 -2.18 0.59 0.00 -0.30 0.00 0.00 42.92 40.98 1mdk s ASP 58 CO -0.00 -0.81 1.24 1.33 -0.17 0.00 0.00 175.17 176.75 1mdk n VAL 59 N 5.09 0.93 -0.13 1.11 0.24 -1.26 0.30 118.33 124.61 1mdk n VAL 59 Ca -0.11 0.67 -0.23 0.00 -2.04 0.00 0.00 64.34 62.63 1mdk n VAL 59 Cb 0.41 -1.67 -0.11 0.00 -1.47 0.00 0.00 33.84 31.00 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 -1.89 1.97 0.01 -1.34 8.00 -1.26 -4.00 116.55 118.04 1mdk n ASP 60 Ca -0.01 0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.69 1mdk n ASP 60 Cb 0.21 -0.60 0.18 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.71 0.59 -2.42 -2.24 -0.08 -0.95 -4.10 116.55 103.63 1mdk n ASP 61 Ca -0.50 -0.33 -0.21 0.00 -1.51 0.00 0.00 54.79 52.24 1mdk n ASP 61 Cb 0.94 0.39 0.02 0.00 2.34 0.00 0.00 41.12 44.81 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mdk n ALA 62 N -1.54 4.54 0.18 -1.67 0.00 0.15 -4.84 120.51 117.33 1mdk n ALA 62 Ca 0.05 -3.83 0.10 0.00 0.00 0.00 0.00 53.44 49.75 1mdk n ALA 62 Cb 0.35 -0.58 0.52 0.00 0.00 0.00 0.00 19.45 19.73 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 2.55 0.00 -0.37 0.00 4.20 -1.71 0.21 115.11 119.99 1mdk h GLN 63 Ca 0.21 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 1mdk h GLN 63 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1mdk h GLN 63 CO 0.70 0.00 -0.39 0.38 -0.67 0.00 0.00 178.83 178.86 1mdk h ASP 64 N 0.00 0.97 -0.04 1.46 3.04 -1.91 0.22 116.42 120.15 1mdk h ASP 64 Ca 0.00 -0.44 -0.08 0.00 -3.24 0.00 0.00 57.03 53.27 1mdk h ASP 64 Cb 0.35 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1mdk h ASP 64 CO 0.00 1.23 -0.29 0.58 -2.04 0.00 0.00 179.24 178.72 1mdk h VAL 65 N 0.74 1.46 -0.17 4.15 2.07 -1.34 -2.57 116.25 120.59 1mdk h VAL 65 Ca 0.06 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 1mdk h VAL 65 Cb 0.97 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1mdk h VAL 65 CO 0.09 0.50 -0.02 0.00 0.02 0.00 0.00 177.57 178.17 1mdk h ALA 66 N 0.37 1.66 0.50 1.67 0.00 -1.51 0.91 119.26 122.86 1mdk h ALA 66 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 66 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1mdk h ALA 66 CO 0.06 0.26 -0.24 0.77 0.00 0.00 0.00 179.25 180.10 1mdk h SER 67 N 0.24 -0.57 0.06 0.00 0.02 -0.49 1.40 113.55 114.22 1mdk h SER 67 Ca 0.06 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1mdk h SER 67 Cb 0.20 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1mdk h SER 67 CO 0.01 -0.26 -0.12 -0.08 -1.14 0.00 0.00 176.83 175.24 1mdk h GLU 68 N -0.88 0.14 -0.00 3.45 4.81 -1.21 -0.81 114.58 120.07 1mdk h GLU 68 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mdk h GLU 68 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1mdk h GLU 68 CO 0.11 0.27 -0.28 0.00 -0.73 0.00 0.00 179.01 178.38 1mdk n ALA 69 N -2.50 3.10 -4.05 2.92 0.00 0.29 -4.95 120.51 115.32 1mdk n ALA 69 Ca -0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.80 1mdk n ALA 69 Cb 0.23 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.03 -2.16 -2.71 0.00 1.02 0.47 -4.89 120.64 111.34 1mdk n GLU 70 Ca 0.10 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 1mdk n GLU 70 Cb 0.33 -4.05 -0.05 0.00 -0.02 0.00 0.00 31.44 27.65 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 -4.02 4.32 0.00 2.62 1.01 -0.85 -4.92 120.40 118.56 1mdk s VAL 71 Ca 0.08 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.08 1mdk s VAL 71 Cb -0.04 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1mdk s VAL 71 CO 0.93 0.36 0.36 0.29 0.00 0.00 0.00 175.10 177.03 1mdk n LYS 72 N 2.41 -0.03 -3.68 2.72 5.02 -1.26 -4.97 118.16 118.36 1mdk n LYS 72 Ca 0.01 -0.41 -0.10 0.00 -2.02 0.00 0.00 58.31 55.79 1mdk n LYS 72 Cb 0.48 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.11 -1.12 0.11 7.82 0.00 -1.26 -5.16 121.76 122.04 1mdk s ALA 73 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.59 1mdk s ALA 73 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1mdk s ALA 73 CO 0.00 -0.42 -0.06 0.95 0.00 0.00 0.00 175.76 176.23 1mdk s THR 74 N 1.78 3.58 0.28 0.00 -4.23 -1.26 -3.65 115.64 112.14 1mdk s THR 74 Ca -0.07 -1.22 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1mdk s THR 74 Cb -0.09 -2.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 1mdk s THR 74 CO -0.13 0.08 0.98 -2.16 -0.54 0.00 0.00 174.62 172.85 1mdk s PRO 75 N -2.33 4.71 -0.27 3.99 0.04 -1.26 -4.80 135.00 135.08 1mdk s PRO 75 Ca 0.23 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1mdk s PRO 75 Cb -0.11 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1mdk s PRO 75 CO 0.16 0.36 -0.00 0.99 0.04 0.00 0.00 177.00 178.55 1mdk s THR 76 N -1.31 3.28 -0.19 1.26 2.01 -1.19 -2.95 115.64 116.56 1mdk s THR 76 Ca 0.45 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1mdk s THR 76 Cb -0.25 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1mdk s THR 76 CO 0.31 0.11 0.61 -0.36 -0.69 0.00 0.00 174.62 174.60 1mdk s PHE 77 N 1.38 3.39 -0.06 4.92 0.08 -0.39 -2.71 117.98 124.58 1mdk s PHE 77 Ca 0.00 0.91 0.05 0.00 0.12 0.00 0.00 56.93 58.01 1mdk s PHE 77 Cb -0.17 -2.77 -0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1mdk s PHE 77 CO -0.02 -0.13 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.10 1mdk s GLN 78 N 1.76 2.38 -0.18 0.44 -0.21 -1.09 -0.33 119.66 122.43 1mdk s GLN 78 Ca 0.28 -0.78 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 1mdk s GLN 78 Cb -0.16 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 1mdk s GLN 78 CO 0.11 0.27 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.48 1mdk s PHE 79 N 0.07 3.07 0.16 0.91 0.40 -0.62 -0.92 117.98 121.05 1mdk s PHE 79 Ca -0.08 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1mdk s PHE 79 Cb -0.14 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1mdk s PHE 79 CO 0.04 -0.08 -0.17 -0.06 0.70 0.00 0.00 175.22 175.65 1mdk s PHE 80 N 0.62 1.72 -0.24 0.36 0.08 0.13 -2.50 117.98 118.16 1mdk s PHE 80 Ca -0.01 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 1mdk s PHE 80 Cb -0.14 -0.86 0.09 0.00 -0.57 0.00 0.00 43.02 41.54 1mdk s PHE 80 CO 0.02 0.29 0.55 0.21 -0.10 0.00 0.00 175.22 176.20 1mdk s LYS 81 N -2.82 0.52 -1.68 0.44 2.20 0.17 -1.97 119.74 116.60 1mdk s LYS 81 Ca 0.15 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1mdk s LYS 81 Cb -0.05 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1mdk s LYS 81 CO 0.06 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1mdk n LYS 82 N 4.81 -1.42 -0.38 4.03 5.02 -1.26 0.29 118.16 129.24 1mdk n LYS 82 Ca -0.16 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1mdk n LYS 82 Cb 0.54 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 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 -0.23 0.70 3.64 0.72 0.00 -1.26 -4.97 105.19 103.79 1mdk n GLY 83 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.62 2.45 0.20 1.61 -1.52 0.15 -5.10 119.66 116.83 1mdk s GLN 84 Ca 0.00 -0.84 -0.16 0.00 -1.95 0.00 0.00 55.36 52.41 1mdk s GLN 84 Cb 0.00 -2.48 -0.08 0.00 -0.22 0.00 0.00 33.01 30.23 1mdk s GLN 84 CO 0.00 0.55 0.64 0.21 -0.25 0.00 0.00 175.29 176.45 1mdk s LYS 85 N -2.01 4.08 0.00 2.91 2.20 -1.26 0.45 119.74 126.11 1mdk s LYS 85 Ca 0.22 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1mdk s LYS 85 Cb -0.11 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1mdk s LYS 85 CO 0.14 0.40 0.00 1.33 -0.36 0.00 0.00 175.35 176.85 1mdk n VAL 86 N 0.58 0.00 -3.95 4.02 0.24 -1.04 -4.93 118.33 113.25 1mdk n VAL 86 Ca -0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1mdk n VAL 86 Cb 0.52 -0.16 0.01 0.00 -1.47 0.00 0.00 33.84 32.74 1mdk n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mdk s GLY 87 N -1.69 -0.08 -0.20 7.63 0.00 -1.25 -5.05 107.32 106.67 1mdk s GLY 87 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 44.72 44.37 1mdk s GLY 87 CO 0.00 4.73 1.19 -1.83 0.00 0.00 0.00 173.10 177.19 1mdk s GLU 88 N -2.07 0.32 -0.29 2.90 -1.05 -1.26 -1.59 118.70 115.67 1mdk s GLU 88 Ca 0.27 -0.03 -0.18 0.00 -0.15 0.00 0.00 54.97 54.89 1mdk s GLU 88 Cb -0.01 0.15 0.13 0.00 -0.44 0.00 0.00 34.13 33.96 1mdk s GLU 88 CO 0.01 -0.12 0.94 -0.59 0.95 0.00 0.00 175.26 176.45 1mdk s PHE 89 N -1.76 -0.63 0.06 4.83 -0.12 0.55 -5.00 117.98 115.92 1mdk s PHE 89 Ca 0.07 1.29 0.01 0.00 -0.05 0.00 0.00 56.93 58.24 1mdk s PHE 89 Cb -0.01 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1mdk s PHE 89 CO -0.04 -0.31 0.06 -1.13 -0.05 0.00 0.00 175.22 173.75 1mdk n SER 90 N 3.54 0.65 0.00 1.98 3.41 -1.26 -1.27 113.62 120.67 1mdk n SER 90 Ca -0.18 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1mdk n SER 90 Cb 0.57 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 4.31 -1.19 3.53 5.00 0.00 -1.15 -4.77 105.19 110.93 1mdk n GLY 91 Ca 0.01 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 0.79 0.60 -3.15 4.61 0.00 -1.26 -4.75 120.51 117.35 1mdk n ALA 92 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 53.44 52.43 1mdk n ALA 92 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 19.45 16.53 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 13.84 0.14 -0.27 0.00 4.05 -1.26 -4.96 115.26 126.80 1mdk n ASN 93 Ca 0.50 -2.87 -0.02 0.00 0.45 0.00 0.00 54.58 52.65 1mdk n ASN 93 Cb 0.34 -0.41 0.17 0.00 1.23 0.00 0.00 39.78 41.11 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 3.63 1.11 0.00 1.20 2.10 -1.98 -1.94 116.57 120.69 1mdk h LYS 94 Ca 0.06 -0.11 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 1mdk h LYS 94 Cb 0.93 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1mdk h LYS 94 CO 0.46 0.79 -0.23 0.93 -2.00 0.00 0.00 179.45 179.39 1mdk h GLU 95 N 1.12 0.00 -0.11 0.07 4.39 -2.00 -2.27 114.58 115.78 1mdk h GLU 95 Ca 0.29 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 1mdk h GLU 95 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1mdk h GLU 95 CO -0.05 0.23 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.33 1mdk h LYS 96 N 0.00 0.29 -0.99 2.33 3.64 -1.77 -2.83 116.57 117.24 1mdk h LYS 96 Ca -0.00 -0.16 0.21 0.00 -1.27 0.00 0.00 60.65 59.43 1mdk h LYS 96 Cb 0.44 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1mdk h LYS 96 CO 0.03 0.71 0.62 -0.07 -2.27 0.00 0.00 179.45 178.47 1mdk h LEU 97 N 0.23 0.61 0.30 5.20 3.38 -1.28 0.41 115.31 124.16 1mdk h LEU 97 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1mdk h LEU 97 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1mdk h LEU 97 CO 0.08 0.20 -0.15 -0.08 0.09 0.00 0.00 178.44 178.58 1mdk h GLU 98 N 0.59 -0.39 -0.84 1.13 4.81 -1.60 -1.04 114.58 117.23 1mdk h GLU 98 Ca 0.56 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.83 1mdk h GLU 98 Cb 1.12 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1mdk h GLU 98 CO -0.32 -0.06 0.55 0.00 -0.73 0.00 0.00 179.01 178.45 1mdk h ALA 99 N -0.28 1.08 -0.18 2.92 0.00 -1.24 -1.02 119.26 120.54 1mdk h ALA 99 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1mdk h ALA 99 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mdk h ALA 99 CO 0.07 0.44 -0.01 1.15 0.00 0.00 0.00 179.25 180.90 1mdk h THR 100 N 1.11 1.26 0.05 0.00 2.02 -0.25 -1.63 112.91 115.47 1mdk h THR 100 Ca 0.32 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1mdk h THR 100 Cb -0.09 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1mdk h THR 100 CO -0.08 0.27 -0.02 0.40 0.37 0.00 0.00 175.52 176.45 1mdk h ILE 101 N 0.08 0.98 0.00 3.11 2.04 -0.97 -0.70 117.51 122.04 1mdk h ILE 101 Ca 0.05 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1mdk h ILE 101 Cb 0.41 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1mdk h ILE 101 CO 0.01 0.03 0.00 -1.13 0.00 0.00 0.00 178.15 177.06 1mdk h ASN 102 N -0.11 0.00 0.13 1.72 -0.73 -1.16 -0.20 115.58 115.23 1mdk h ASN 102 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1mdk h ASN 102 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1mdk h ASN 102 CO 0.01 0.00 -0.06 -0.08 -0.37 0.00 0.00 177.43 176.93 1mdk h GLU 103 N 0.00 -0.17 -0.71 6.67 4.81 -0.12 -3.33 114.58 121.73 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 0.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mdk h GLU 103 CO 0.00 -0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1mdk n LEU 104 N -4.88 3.61 0.00 1.64 4.77 -0.90 -5.11 117.00 116.13 1mdk n LEU 104 Ca -0.03 -1.83 0.04 0.00 -0.03 0.00 0.00 56.01 54.15 1mdk n LEU 104 Cb 0.12 -0.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.87 1mdk n LEU 104 CO 0.10 0.49 0.45 0.55 -1.33 0.00 0.00 177.39 177.65