#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 2.93 -0.21 2.03 1.01 -1.26 -3.65 120.40 121.25 1mdk s VAL 2 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1mdk s VAL 2 Cb 0.00 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1mdk s VAL 2 CO 0.00 -0.04 0.43 -0.75 0.00 0.00 0.00 175.10 174.74 1mdk s LYS 3 N -4.65 0.34 0.19 2.72 2.36 -0.86 -4.97 119.74 114.87 1mdk s LYS 3 Ca 0.55 1.05 -0.19 0.00 -2.55 0.00 0.00 55.97 54.84 1mdk s LYS 3 Cb -0.10 0.36 -0.08 0.00 -1.05 0.00 0.00 37.83 36.96 1mdk s LYS 3 CO 0.37 -0.26 0.67 -1.14 1.55 0.00 0.00 175.35 176.55 1mdk s GLN 4 N 2.63 4.20 -0.34 4.03 0.74 -1.26 -1.71 119.66 127.94 1mdk s GLN 4 Ca -0.02 0.78 -0.05 0.00 0.05 0.00 0.00 55.36 56.13 1mdk s GLN 4 Cb -0.12 -2.93 0.05 0.00 1.10 0.00 0.00 33.01 31.11 1mdk s GLN 4 CO -0.13 0.44 0.10 0.42 -0.55 0.00 0.00 175.29 175.56 1mdk s ILE 5 N -1.46 3.56 -0.75 -2.34 -1.09 -0.38 -4.91 121.20 113.82 1mdk s ILE 5 Ca 0.40 -1.31 0.21 0.00 -2.23 0.00 0.00 60.65 57.73 1mdk s ILE 5 Cb -0.17 -3.07 -0.25 0.00 -1.58 0.00 0.00 42.46 37.39 1mdk s ILE 5 CO 0.21 -0.23 0.81 -0.62 -1.23 0.00 0.00 174.94 173.87 1mdk n GLU 6 N 4.75 0.17 -3.65 2.79 1.02 -1.26 -4.29 120.64 120.17 1mdk n GLU 6 Ca -0.11 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.85 1mdk n GLU 6 Cb 0.44 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.40 -0.30 0.65 1.62 1.04 -1.26 -4.62 113.70 107.43 1mdk s SER 7 Ca 0.04 -0.01 0.26 0.00 0.48 0.00 0.00 55.95 56.73 1mdk s SER 7 Cb 0.15 0.44 1.40 0.00 0.10 0.00 0.00 66.02 68.11 1mdk s SER 7 CO 0.87 -0.68 1.80 0.50 0.98 0.00 0.00 173.24 176.71 1mdk h LYS 8 N 2.94 0.00 0.27 4.02 3.64 -1.93 -1.22 116.57 124.28 1mdk h LYS 8 Ca -0.31 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1mdk h LYS 8 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1mdk h LYS 8 CO 0.43 0.00 -0.13 1.15 -2.27 0.00 0.00 179.45 178.63 1mdk h THR 9 N 0.00 0.75 0.00 1.00 2.02 -2.00 -2.60 112.91 112.08 1mdk h THR 9 Ca 0.05 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1mdk h THR 9 Cb 0.96 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1mdk h THR 9 CO -0.00 0.03 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 1mdk h ALA 10 N 0.27 1.01 0.46 6.16 0.00 -1.61 -3.14 119.26 122.40 1mdk h ALA 10 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mdk h ALA 10 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1mdk h ALA 10 CO 0.06 0.03 -0.24 0.35 0.00 0.00 0.00 179.25 179.45 1mdk h PHE 11 N 0.00 -0.62 -0.56 0.00 3.57 -1.33 0.25 116.94 118.26 1mdk h PHE 11 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 11 Cb 0.50 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1mdk h PHE 11 CO 0.00 -0.37 0.31 1.96 -2.23 0.00 0.00 178.31 177.97 1mdk h GLN 12 N -0.64 0.57 -0.50 1.11 4.20 -1.61 -1.13 115.11 117.10 1mdk h GLN 12 Ca -0.06 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1mdk h GLN 12 Cb 0.49 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1mdk h GLN 12 CO 0.09 0.38 0.33 0.93 -0.67 0.00 0.00 178.83 179.89 1mdk h GLU 13 N 0.59 0.56 -0.15 1.46 4.39 -1.49 -0.80 114.58 119.14 1mdk h GLU 13 Ca 0.25 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1mdk h GLU 13 Cb 0.13 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1mdk h GLU 13 CO -0.15 0.37 0.08 0.00 -1.16 0.00 0.00 179.01 178.15 1mdk h ALA 14 N 1.71 0.19 -0.29 3.43 0.00 0.81 0.44 119.26 125.55 1mdk h ALA 14 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1mdk h ALA 14 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mdk h ALA 14 CO -0.05 -0.28 0.06 -0.07 0.00 0.00 0.00 179.25 178.91 1mdk h LEU 15 N 0.15 0.44 -0.99 0.00 3.38 -1.17 0.42 115.31 117.53 1mdk h LEU 15 Ca 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1mdk h LEU 15 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1mdk h LEU 15 CO -0.01 0.56 0.15 -0.78 0.09 0.00 0.00 178.44 178.45 1mdk h ASP 16 N 0.29 0.82 1.63 -0.43 1.82 -0.98 -1.82 116.42 117.75 1mdk h ASP 16 Ca 0.09 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1mdk h ASP 16 Cb 0.30 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1mdk h ASP 16 CO 0.00 0.79 -0.06 0.00 -1.61 0.00 0.00 179.24 178.36 1mdk h ALA 17 N 1.31 0.96 0.00 -0.78 0.00 0.14 -3.13 119.26 117.77 1mdk h ALA 17 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mdk h ALA 17 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mdk h ALA 17 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1mdk n ALA 18 N -1.92 1.71 -0.58 0.00 0.00 0.14 -4.91 120.51 114.95 1mdk n ALA 18 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.19 1.66 0.00 0.00 0.00 -1.19 -2.97 105.19 102.51 1mdk n GLY 19 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1mdk n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mdk n ASP 20 N 10.95 0.13 -4.69 1.61 2.03 -1.26 -4.43 116.55 120.89 1mdk n ASP 20 Ca 0.00 -1.03 -0.29 0.00 0.52 0.00 0.00 54.79 53.99 1mdk n ASP 20 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1mdk s LYS 21 N -0.03 0.57 0.94 -0.67 1.02 -1.16 -4.74 119.74 115.66 1mdk s LYS 21 Ca 0.00 0.52 -0.11 0.00 0.02 0.00 0.00 55.97 56.41 1mdk s LYS 21 Cb 0.00 -1.75 0.15 0.00 -0.52 0.00 0.00 37.83 35.71 1mdk s LYS 21 CO 0.00 -2.64 1.11 -1.17 -0.92 0.00 0.00 175.35 171.73 1mdk s LEU 22 N -6.40 2.43 -0.25 3.17 0.20 -1.26 -4.66 118.68 111.91 1mdk s LEU 22 Ca 0.65 1.92 -0.03 0.00 0.69 0.00 0.00 54.13 57.36 1mdk s LEU 22 Cb -0.18 -4.27 0.11 0.00 -0.43 0.00 0.00 46.19 41.42 1mdk s LEU 22 CO 0.57 -3.08 0.21 -0.69 -0.29 0.00 0.00 176.35 173.07 1mdk s VAL 23 N -2.69 -0.27 -0.19 1.68 1.01 -0.86 -2.10 120.40 116.98 1mdk s VAL 23 Ca 0.66 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1mdk s VAL 23 Cb -0.22 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1mdk s VAL 23 CO 0.59 -0.44 0.09 -0.69 0.00 0.00 0.00 175.10 174.65 1mdk s VAL 24 N 2.27 5.03 -0.05 2.92 1.01 -0.77 -0.55 120.40 130.25 1mdk s VAL 24 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1mdk s VAL 24 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1mdk s VAL 24 CO -0.25 0.45 -0.02 -0.69 0.00 0.00 0.00 175.10 174.59 1mdk s VAL 25 N 0.37 4.10 -0.45 2.92 1.01 0.07 -1.32 120.40 127.10 1mdk s VAL 25 Ca 0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1mdk s VAL 25 Cb -0.12 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.63 1mdk s VAL 25 CO -0.01 0.53 0.27 -0.62 0.00 0.00 0.00 175.10 175.28 1mdk s ASP 26 N -1.09 5.41 -1.22 3.32 2.15 -1.06 -2.64 116.67 121.55 1mdk s ASP 26 Ca 0.15 -2.07 -0.17 0.00 0.43 0.00 0.00 52.55 50.89 1mdk s ASP 26 Cb -0.11 -1.89 0.12 0.00 -0.30 0.00 0.00 42.92 40.73 1mdk s ASP 26 CO 0.05 -0.58 1.55 -0.36 -0.17 0.00 0.00 175.17 175.66 1mdk s PHE 27 N 1.10 3.10 0.00 -5.34 0.40 -0.97 -2.52 117.98 113.75 1mdk s PHE 27 Ca 0.08 -1.78 0.00 0.00 -0.60 0.00 0.00 56.93 54.63 1mdk s PHE 27 Cb -0.24 -4.53 0.00 0.00 0.51 0.00 0.00 43.02 38.76 1mdk s PHE 27 CO -0.03 -1.62 0.00 0.43 0.70 0.00 0.00 175.22 174.70 1mdk n SER 28 N 7.12 0.99 -3.67 1.36 7.64 -1.19 -2.68 113.62 123.19 1mdk n SER 28 Ca 0.41 -0.39 -0.20 0.00 1.01 0.00 0.00 58.87 59.71 1mdk n SER 28 Cb 0.45 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.17 0.48 -0.43 0.00 -1.26 -3.39 121.76 115.33 1mdk s ALA 29 Ca 0.00 0.24 0.31 0.00 0.00 0.00 0.00 51.96 52.51 1mdk s ALA 29 Cb 0.00 -0.65 1.68 0.00 0.00 0.00 0.00 23.12 24.14 1mdk s ALA 29 CO 0.00 -0.51 2.16 0.00 0.00 0.00 0.00 175.76 177.41 1mdk h THR 30 N 6.43 0.45 0.00 0.00 1.03 -1.99 -1.60 112.91 117.23 1mdk h THR 30 Ca -0.12 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1mdk h THR 30 Cb 1.12 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1mdk h THR 30 CO 0.15 0.06 -0.72 -2.67 -0.01 0.00 0.00 175.52 172.34 1mdk n TRP 31 N -3.59 0.49 -3.46 0.00 4.27 -1.26 -4.84 117.44 109.05 1mdk n TRP 31 Ca -0.02 0.14 -0.37 0.00 -3.89 0.00 0.00 57.50 53.36 1mdk n TRP 31 Cb 0.18 -0.61 -0.06 0.00 -1.36 0.00 0.00 31.31 29.45 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 5.97 -0.40 -0.09 0.00 0.00 -1.88 -2.64 103.07 104.02 1mdk h GLY 33 Ca -0.45 0.15 0.25 0.00 0.00 0.00 0.00 47.33 47.28 1mdk h GLY 33 CO 0.70 -0.15 0.65 -2.55 0.00 0.00 0.00 176.54 175.19 1mdk h PRO 34 N -1.02 0.45 0.13 4.80 0.11 -1.94 1.60 132.00 136.12 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 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1mdk h PRO 34 CO 0.06 0.30 -0.06 0.00 -0.21 0.00 0.00 178.00 178.09 1mdk h ALA 35 N 1.64 -0.23 -0.00 -0.75 0.00 -1.86 -3.25 119.26 114.81 1mdk h ALA 35 Ca 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1mdk h ALA 35 Cb 1.39 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1mdk h ALA 35 CO -0.33 -0.21 0.05 -0.22 0.00 0.00 0.00 179.25 178.54 1mdk h LYS 36 N -0.79 0.00 0.00 0.00 3.64 -1.13 -0.88 116.57 117.41 1mdk h LYS 36 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1mdk h LYS 36 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1mdk h LYS 36 CO 0.03 0.00 0.00 1.98 -2.27 0.00 0.00 179.45 179.19 1mdk h MET 37 N 0.00 0.00 -0.72 1.90 4.05 0.23 -0.25 114.93 120.14 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 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 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 -2.77 1.12 0.10 1.77 5.41 -0.33 -4.46 119.36 120.19 1mdk n ILE 38 Ca -0.02 -1.03 0.00 0.00 1.00 0.00 0.00 62.75 62.70 1mdk n ILE 38 Cb 0.07 0.45 0.30 0.00 -0.71 0.00 0.00 39.64 39.75 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 4.24 0.25 0.00 0.38 2.10 -1.19 -2.57 116.57 119.77 1mdk h LYS 39 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1mdk h LYS 39 Cb 1.06 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1mdk h LYS 39 CO 0.03 0.50 0.00 -2.30 -2.00 0.00 0.00 179.45 175.68 1mdk n PRO 40 N -4.15 0.08 0.00 0.07 -0.02 -1.26 -2.34 135.00 127.38 1mdk n PRO 40 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1mdk n PRO 40 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.25 0.00 -0.31 6.00 3.01 -0.98 -4.07 117.46 119.86 1mdk n PHE 41 Ca 0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.42 1mdk n PHE 41 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.37 -0.21 1.38 3.57 -1.62 0.50 116.94 119.18 1mdk h PHE 42 Ca 0.00 0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 42 Cb 0.00 0.71 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1mdk h PHE 42 CO 0.00 -0.41 -0.17 1.25 -2.23 0.00 0.00 178.31 176.75 1mdk h HIS 43 N -0.11 0.40 -0.72 0.41 2.76 -1.71 -2.75 115.15 113.42 1mdk h HIS 43 Ca 0.22 -0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1mdk h HIS 43 Cb 0.54 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1mdk h HIS 43 CO -0.83 0.53 0.19 0.77 -1.30 0.00 0.00 177.93 177.29 1mdk h SER 44 N 0.34 1.08 0.00 3.26 0.02 -0.18 -1.91 113.55 116.16 1mdk h SER 44 Ca 0.06 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1mdk h SER 44 Cb 0.51 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1mdk h SER 44 CO 0.03 1.02 0.34 -0.07 -1.14 0.00 0.00 176.83 177.01 1mdk h LEU 45 N 1.09 0.00 -2.03 5.07 3.38 -0.46 0.32 115.31 122.68 1mdk h LEU 45 Ca 0.23 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1mdk h LEU 45 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1mdk h LEU 45 CO -0.00 0.00 0.21 0.28 0.09 0.00 0.00 178.44 179.02 1mdk h SER 46 N 0.00 0.00 0.38 -0.43 0.02 -1.46 0.51 113.55 112.57 1mdk h SER 46 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1mdk h SER 46 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1mdk h SER 46 CO 0.00 0.00 -1.67 -0.62 -1.14 0.00 0.00 176.83 173.40 1mdk n GLU 47 N -4.37 0.64 0.10 3.45 1.02 0.10 -3.68 120.64 117.90 1mdk n GLU 47 Ca 0.04 -0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1mdk n GLU 47 Cb 0.37 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.49 0.59 -3.18 3.49 4.81 -0.53 -4.41 118.16 116.44 1mdk n LYS 48 Ca -0.06 0.11 -0.23 0.00 -0.87 0.00 0.00 58.31 57.27 1mdk n LYS 48 Cb 0.64 -1.81 -0.05 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.63 1.08 0.54 5.64 4.01 0.17 -4.89 117.16 121.08 1mdk n TYR 49 Ca 0.00 -3.81 0.05 0.00 -0.16 0.00 0.00 57.90 53.98 1mdk n TYR 49 Cb 0.54 -0.43 0.28 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.65 0.00 -0.80 7.72 3.41 -1.24 -1.12 113.62 122.24 1mdk n SER 50 Ca 0.25 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1mdk n SER 50 Cb 0.54 -0.22 0.30 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.22 2.43 -4.42 4.04 5.15 -1.26 -4.64 115.26 115.34 1mdk n ASN 51 Ca 0.06 -1.81 -0.29 0.00 -0.60 0.00 0.00 54.58 51.94 1mdk n ASN 51 Cb 0.07 -0.09 -0.13 0.00 -0.53 0.00 0.00 39.78 39.11 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdk s VAL 52 N -1.83 2.42 -0.26 3.44 1.01 -0.27 -4.57 120.40 120.34 1mdk s VAL 52 Ca 0.34 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 1mdk s VAL 52 Cb 0.20 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1mdk s VAL 52 CO 0.30 0.09 0.23 -0.63 0.00 0.00 0.00 175.10 175.09 1mdk s ILE 53 N -1.09 5.30 -0.15 2.22 -1.09 -0.89 -4.45 121.20 121.04 1mdk s ILE 53 Ca 0.15 0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1mdk s ILE 53 Cb -0.10 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1mdk s ILE 53 CO 0.07 0.27 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.64 1mdk s PHE 54 N 1.51 3.00 0.41 3.97 0.08 -1.24 -1.85 117.98 123.85 1mdk s PHE 54 Ca 0.10 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.87 1mdk s PHE 54 Cb -0.15 -1.94 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1mdk s PHE 54 CO 0.08 -0.06 0.21 -0.51 -0.10 0.00 0.00 175.22 174.84 1mdk s LEU 55 N 0.37 3.17 -0.03 -0.37 1.02 -0.44 -2.04 118.68 120.37 1mdk s LEU 55 Ca -0.05 -1.01 -0.03 0.00 0.02 0.00 0.00 54.13 53.07 1mdk s LEU 55 Cb -0.14 -1.55 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1mdk s LEU 55 CO 0.03 -0.54 0.07 -0.70 0.02 0.00 0.00 176.35 175.23 1mdk s GLU 56 N -3.93 0.10 -0.01 1.70 2.12 -0.70 -2.56 118.70 115.41 1mdk s GLU 56 Ca 0.42 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.83 1mdk s GLU 56 Cb 0.02 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.47 1mdk s GLU 56 CO 0.23 -0.01 -0.01 0.08 -0.54 0.00 0.00 175.26 175.01 1mdk s VAL 57 N -0.02 0.17 -0.46 3.70 1.01 -1.05 -1.25 120.40 122.51 1mdk s VAL 57 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1mdk s VAL 57 Cb -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.23 1mdk s VAL 57 CO 0.00 0.08 0.47 -0.62 0.00 0.00 0.00 175.10 175.03 1mdk s ASP 58 N 0.27 6.19 0.00 3.32 -1.08 -1.26 -3.15 116.67 120.96 1mdk s ASP 58 Ca -0.02 -0.90 0.07 0.00 -0.52 0.00 0.00 52.55 51.18 1mdk s ASP 58 Cb -0.05 -2.23 0.32 0.00 -1.46 0.00 0.00 42.92 39.51 1mdk s ASP 58 CO -0.01 -0.67 1.23 1.33 0.52 0.00 0.00 175.17 177.57 1mdk n VAL 59 N 5.42 1.44 -0.12 1.11 0.24 -1.22 -0.15 118.33 125.04 1mdk n VAL 59 Ca -0.08 0.36 -0.19 0.00 -2.04 0.00 0.00 64.34 62.39 1mdk n VAL 59 Cb 0.46 -1.23 -0.11 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.48 2.05 0.02 -1.34 8.00 -1.26 -4.10 116.55 118.42 1mdk n ASP 60 Ca 0.02 -0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.58 1mdk n ASP 60 Cb 0.09 -0.45 0.07 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.38 0.65 -2.52 -2.24 -0.08 -1.15 -4.26 116.55 103.57 1mdk n ASP 61 Ca -0.45 -0.35 -0.22 0.00 -1.51 0.00 0.00 54.79 52.26 1mdk n ASP 61 Cb 0.95 0.66 0.01 0.00 2.34 0.00 0.00 41.12 45.08 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 -1.68 4.62 0.24 -1.67 0.00 0.79 -4.84 120.51 117.97 1mdk n ALA 62 Ca 0.03 -3.99 0.13 0.00 0.00 0.00 0.00 53.44 49.61 1mdk n ALA 62 Cb 0.39 -0.64 0.69 0.00 0.00 0.00 0.00 19.45 19.89 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 2.68 0.00 -0.31 0.00 4.20 -1.72 -0.49 115.11 119.47 1mdk h GLN 63 Ca 0.20 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1mdk h GLN 63 Cb 1.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1mdk h GLN 63 CO 0.75 0.00 -0.39 0.38 -0.67 0.00 0.00 178.83 178.90 1mdk h ASP 64 N 0.00 0.88 -0.05 1.46 3.04 -1.92 0.31 116.42 120.14 1mdk h ASP 64 Ca 0.00 -0.49 -0.11 0.00 -3.24 0.00 0.00 57.03 53.19 1mdk h ASP 64 Cb 0.33 -0.25 0.01 0.00 -1.04 0.00 0.00 39.33 38.38 1mdk h ASP 64 CO 0.00 1.19 -0.40 0.58 -2.04 0.00 0.00 179.24 178.58 1mdk h VAL 65 N 0.58 1.43 -0.41 4.15 2.07 -1.47 -2.28 116.25 120.31 1mdk h VAL 65 Ca 0.04 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1mdk h VAL 65 Cb 0.98 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1mdk h VAL 65 CO 0.09 0.53 0.07 0.00 0.02 0.00 0.00 177.57 178.28 1mdk h ALA 66 N 0.39 1.35 -0.39 1.67 0.00 -1.50 -1.52 119.26 119.26 1mdk h ALA 66 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1mdk h ALA 66 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1mdk h ALA 66 CO 0.08 0.46 0.12 0.77 0.00 0.00 0.00 179.25 180.68 1mdk h SER 67 N 0.61 0.57 -0.70 0.00 0.02 -0.32 0.41 113.55 114.15 1mdk h SER 67 Ca 0.14 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1mdk h SER 67 Cb 0.28 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1mdk h SER 67 CO 0.00 0.63 0.24 -0.08 -1.14 0.00 0.00 176.83 176.48 1mdk h GLU 68 N 0.49 1.08 -0.03 3.45 4.81 -0.95 -1.80 114.58 121.64 1mdk h GLU 68 Ca 0.13 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mdk h GLU 68 Cb 0.26 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1mdk h GLU 68 CO -0.00 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.19 1mdk n ALA 69 N -2.45 2.59 -3.85 2.92 0.00 -0.61 -4.94 120.51 114.18 1mdk n ALA 69 Ca 0.06 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 1mdk n ALA 69 Cb 0.21 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.11 -1.79 -2.69 0.00 1.02 0.14 -4.88 120.64 112.33 1mdk n GLU 70 Ca 0.20 0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 57.29 1mdk n GLU 70 Cb 0.29 -4.01 -0.03 0.00 -0.02 0.00 0.00 31.44 27.66 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 -3.67 4.70 0.00 2.62 1.01 -0.72 -4.90 120.40 119.44 1mdk s VAL 71 Ca 0.30 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1mdk s VAL 71 Cb -0.12 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1mdk s VAL 71 CO 0.89 0.20 0.33 0.29 0.00 0.00 0.00 175.10 176.81 1mdk n LYS 72 N 3.59 -0.34 -3.69 2.72 4.76 -1.26 -4.96 118.16 118.98 1mdk n LYS 72 Ca 0.05 -0.35 -0.10 0.00 -2.87 0.00 0.00 58.31 55.04 1mdk n LYS 72 Cb 0.50 -0.78 -0.10 0.00 -1.84 0.00 0.00 35.03 32.81 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mdk s ALA 73 N -0.05 -1.10 0.12 7.82 0.00 -1.26 -5.16 121.76 122.12 1mdk s ALA 73 Ca 0.00 1.57 0.08 0.00 0.00 0.00 0.00 51.96 53.61 1mdk s ALA 73 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1mdk s ALA 73 CO 0.00 -0.34 -0.14 0.95 0.00 0.00 0.00 175.76 176.23 1mdk s THR 74 N 1.58 3.08 0.41 0.00 -4.23 -1.26 -3.75 115.64 111.47 1mdk s THR 74 Ca -0.09 -1.43 -0.23 0.00 -1.18 0.00 0.00 61.69 58.77 1mdk s THR 74 Cb -0.09 -2.44 -0.10 0.00 1.34 0.00 0.00 72.50 71.22 1mdk s THR 74 CO -0.13 0.08 1.00 -2.16 -0.54 0.00 0.00 174.62 172.87 1mdk s PRO 75 N -2.24 4.21 -0.21 3.99 0.04 -1.26 -4.83 135.00 134.69 1mdk s PRO 75 Ca 0.20 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1mdk s PRO 75 Cb -0.11 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1mdk s PRO 75 CO 0.12 -0.07 -0.15 0.99 0.04 0.00 0.00 177.00 177.93 1mdk s THR 76 N -1.85 2.32 -0.24 1.26 2.01 -1.09 -3.04 115.64 115.01 1mdk s THR 76 Ca 0.59 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 1mdk s THR 76 Cb -0.17 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1mdk s THR 76 CO 0.21 0.37 0.53 -0.36 -0.69 0.00 0.00 174.62 174.69 1mdk s PHE 77 N 1.28 3.31 -0.05 4.92 0.08 -0.37 -2.29 117.98 124.86 1mdk s PHE 77 Ca 0.02 0.71 0.07 0.00 0.12 0.00 0.00 56.93 57.84 1mdk s PHE 77 Cb -0.15 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1mdk s PHE 77 CO -0.09 -0.22 -0.25 -0.65 -0.10 0.00 0.00 175.22 173.90 1mdk s GLN 78 N 2.10 2.44 -0.16 0.44 -0.21 -1.08 -0.16 119.66 123.03 1mdk s GLN 78 Ca 0.23 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 1mdk s GLN 78 Cb -0.16 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 1mdk s GLN 78 CO 0.09 0.42 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.59 1mdk s PHE 79 N -0.26 3.03 0.17 0.91 0.40 -0.14 -0.75 117.98 121.34 1mdk s PHE 79 Ca -0.01 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1mdk s PHE 79 Cb -0.13 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1mdk s PHE 79 CO 0.03 -0.05 -0.16 -0.06 0.70 0.00 0.00 175.22 175.67 1mdk s PHE 80 N 0.42 1.72 -0.24 0.36 0.08 0.28 -2.36 117.98 118.24 1mdk s PHE 80 Ca -0.04 -0.52 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 1mdk s PHE 80 Cb -0.14 -0.84 0.11 0.00 -0.57 0.00 0.00 43.02 41.58 1mdk s PHE 80 CO 0.03 0.31 0.51 0.21 -0.10 0.00 0.00 175.22 176.19 1mdk s LYS 81 N -3.10 0.43 -1.47 0.44 2.20 0.34 -2.03 119.74 116.56 1mdk s LYS 81 Ca 0.17 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1mdk s LYS 81 Cb -0.04 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1mdk s LYS 81 CO 0.06 -0.23 0.00 1.63 -0.36 0.00 0.00 175.35 176.45 1mdk n LYS 82 N 5.39 -1.90 -0.89 4.03 5.02 -1.26 0.63 118.16 129.18 1mdk n LYS 82 Ca -0.10 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1mdk n LYS 82 Cb 0.49 -5.44 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 -0.86 0.64 3.53 0.72 0.00 -1.26 -5.01 105.19 102.94 1mdk n GLY 83 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.11 2.48 0.18 1.61 -1.52 0.21 -5.10 119.66 117.40 1mdk s GLN 84 Ca 0.00 -0.74 -0.23 0.00 -1.95 0.00 0.00 55.36 52.44 1mdk s GLN 84 Cb 0.00 -2.42 -0.08 0.00 -0.22 0.00 0.00 33.01 30.29 1mdk s GLN 84 CO 0.00 0.61 0.75 0.21 -0.25 0.00 0.00 175.29 176.61 1mdk s LYS 85 N -1.11 4.46 0.00 2.91 2.20 -1.26 0.13 119.74 127.06 1mdk s LYS 85 Ca 0.14 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1mdk s LYS 85 Cb -0.11 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1mdk s LYS 85 CO 0.04 0.52 0.00 1.33 -0.36 0.00 0.00 175.35 176.88 1mdk n VAL 86 N 1.33 0.00 -3.75 4.02 0.24 -0.99 -4.91 118.33 114.27 1mdk n VAL 86 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1mdk n VAL 86 Cb 0.50 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.08 -0.26 -0.22 7.63 0.00 -1.25 -5.03 107.32 107.11 1mdk s GLY 87 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 1mdk s GLY 87 CO 0.00 1.44 1.19 -1.83 0.00 0.00 0.00 173.10 173.90 1mdk s GLU 88 N -2.46 0.31 -0.29 2.90 -1.05 -1.26 -0.97 118.70 115.88 1mdk s GLU 88 Ca 0.18 0.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.87 1mdk s GLU 88 Cb 0.02 0.15 0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1mdk s GLU 88 CO -0.01 -0.10 1.00 -0.59 0.95 0.00 0.00 175.26 176.51 1mdk s PHE 89 N -1.15 -0.54 0.00 4.83 -0.12 0.78 -4.99 117.98 116.78 1mdk s PHE 89 Ca 0.04 1.13 0.00 0.00 -0.05 0.00 0.00 56.93 58.05 1mdk s PHE 89 Cb -0.01 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.04 -0.26 0.00 -1.13 -0.05 0.00 0.00 175.22 173.74 1mdk n SER 90 N 3.22 0.36 -0.00 1.98 3.41 -1.26 -1.24 113.62 120.08 1mdk n SER 90 Ca -0.17 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 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 5.00 -1.02 3.55 5.00 0.00 -1.17 -4.76 105.19 111.79 1mdk n GLY 91 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 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 1.10 0.51 -3.33 4.61 0.00 -1.26 -4.77 120.51 117.37 1mdk n ALA 92 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 53.44 51.98 1mdk n ALA 92 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 19.45 16.19 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 16.78 -0.18 0.09 0.00 2.85 -1.26 -4.96 115.26 128.58 1mdk n ASN 93 Ca 0.46 -2.50 0.02 0.00 -0.11 0.00 0.00 54.58 52.45 1mdk n ASN 93 Cb 0.43 -0.58 0.37 0.00 1.24 0.00 0.00 39.78 41.23 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 5.09 0.30 0.00 1.20 -0.00 -1.98 -2.04 116.57 119.13 1mdk h LYS 94 Ca 0.20 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.65 60.73 1mdk h LYS 94 Cb 0.90 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.08 1mdk h LYS 94 CO 0.41 0.42 -0.24 0.93 -0.00 0.00 0.00 179.45 180.97 1mdk h GLU 95 N 0.28 0.00 -0.24 0.07 5.08 -2.00 -2.25 114.58 115.53 1mdk h GLU 95 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1mdk h GLU 95 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1mdk h GLU 95 CO 0.02 0.24 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.70 1mdk h LYS 96 N 0.00 0.52 -0.98 2.33 3.64 -1.79 -2.73 116.57 117.56 1mdk h LYS 96 Ca -0.00 -0.24 0.18 0.00 -1.27 0.00 0.00 60.65 59.32 1mdk h LYS 96 Cb 0.47 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 1mdk h LYS 96 CO 0.03 0.80 0.61 -0.07 -2.27 0.00 0.00 179.45 178.55 1mdk h LEU 97 N 0.44 0.74 0.52 5.20 3.38 -1.38 0.31 115.31 124.52 1mdk h LEU 97 Ca 0.05 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1mdk h LEU 97 Cb 0.82 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1mdk h LEU 97 CO 0.07 0.30 -0.25 -0.08 0.09 0.00 0.00 178.44 178.57 1mdk h GLU 98 N 0.74 -0.67 -0.98 1.13 4.22 -1.56 -0.89 114.58 116.58 1mdk h GLU 98 Ca 0.54 0.05 0.04 0.00 0.08 0.00 0.00 59.36 60.07 1mdk h GLU 98 Cb 0.87 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 1mdk h GLU 98 CO -0.32 -0.37 0.64 0.00 -2.18 0.00 0.00 179.01 176.78 1mdk h ALA 99 N -0.79 1.31 -0.24 2.92 0.00 -1.34 -0.89 119.26 120.22 1mdk h ALA 99 Ca -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mdk h ALA 99 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mdk h ALA 99 CO 0.12 0.51 -0.03 1.15 0.00 0.00 0.00 179.25 181.00 1mdk h THR 100 N 1.22 1.27 0.22 0.00 2.02 -0.40 -1.72 112.91 115.53 1mdk h THR 100 Ca 0.40 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1mdk h THR 100 Cb 0.04 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1mdk h THR 100 CO -0.13 0.30 -0.11 0.40 0.37 0.00 0.00 175.52 176.35 1mdk h ILE 101 N 0.21 0.81 0.00 3.11 2.04 -0.81 -1.27 117.51 121.60 1mdk h ILE 101 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1mdk h ILE 101 Cb 0.46 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1mdk h ILE 101 CO 0.02 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.08 1mdk h ASN 102 N -0.38 0.00 0.10 1.72 -0.73 -1.16 0.03 115.58 115.15 1mdk h ASN 102 Ca -0.03 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 1mdk h ASN 102 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1mdk h ASN 102 CO 0.05 0.00 -0.05 -0.08 -0.37 0.00 0.00 177.43 176.98 1mdk h GLU 103 N 0.00 -0.13 -0.87 6.67 4.81 -0.29 -3.34 114.58 121.44 1mdk h GLU 103 Ca 0.00 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1mdk h GLU 103 Cb 0.02 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1mdk h GLU 103 CO 0.00 -0.08 0.16 1.28 -0.73 0.00 0.00 179.01 179.64 1mdk n LEU 104 N -4.11 4.33 0.00 1.64 4.77 -0.83 -5.10 117.00 117.70 1mdk n LEU 104 Ca -0.02 -2.24 0.03 0.00 -0.03 0.00 0.00 56.01 53.76 1mdk n LEU 104 Cb 0.05 -0.64 0.18 0.00 -2.33 0.00 0.00 43.42 40.68 1mdk n LEU 104 CO 0.04 0.62 0.41 0.55 -1.33 0.00 0.00 177.39 177.68