#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 3.21 -0.19 2.03 1.01 -1.26 -3.45 120.40 121.74 1mdk s VAL 2 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1mdk s VAL 2 Cb 0.00 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.29 1mdk s VAL 2 CO 0.00 -0.11 0.41 -0.75 0.00 0.00 0.00 175.10 174.65 1mdk s LYS 3 N -4.60 0.33 -0.05 2.72 2.20 -0.82 -4.96 119.74 114.55 1mdk s LYS 3 Ca 0.53 0.99 -0.21 0.00 -0.36 0.00 0.00 55.97 56.92 1mdk s LYS 3 Cb -0.10 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1mdk s LYS 3 CO 0.37 -0.24 0.62 -1.14 -0.36 0.00 0.00 175.35 174.61 1mdk s GLN 4 N 2.42 4.38 -0.42 4.03 0.74 -1.26 -1.57 119.66 127.98 1mdk s GLN 4 Ca -0.03 0.76 -0.13 0.00 0.05 0.00 0.00 55.36 56.01 1mdk s GLN 4 Cb -0.11 -3.40 0.05 0.00 1.10 0.00 0.00 33.01 30.64 1mdk s GLN 4 CO -0.13 0.20 0.29 0.42 -0.55 0.00 0.00 175.29 175.53 1mdk s ILE 5 N 0.36 4.79 -0.97 -2.34 -1.09 -0.42 -4.90 121.20 116.64 1mdk s ILE 5 Ca 0.33 -1.01 0.21 0.00 -2.23 0.00 0.00 60.65 57.95 1mdk s ILE 5 Cb -0.18 -3.79 -0.22 0.00 -1.58 0.00 0.00 42.46 36.69 1mdk s ILE 5 CO 0.17 -0.41 0.91 -0.62 -1.23 0.00 0.00 174.94 173.75 1mdk n GLU 6 N 5.06 0.02 -3.65 2.79 1.02 -1.26 -4.33 120.64 120.30 1mdk n GLU 6 Ca -0.11 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 1mdk n GLU 6 Cb 0.45 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.05 -0.26 0.52 1.62 1.04 -1.26 -4.66 113.70 107.65 1mdk s SER 7 Ca 0.08 -0.16 0.27 0.00 0.48 0.00 0.00 55.95 56.62 1mdk s SER 7 Cb 0.16 0.45 1.41 0.00 0.10 0.00 0.00 66.02 68.14 1mdk s SER 7 CO 0.86 -0.76 1.94 0.50 0.98 0.00 0.00 173.24 176.76 1mdk h LYS 8 N 2.66 0.03 -0.51 4.02 3.64 -1.93 -0.77 116.57 123.72 1mdk h LYS 8 Ca -0.33 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1mdk h LYS 8 Cb 1.23 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1mdk h LYS 8 CO 0.45 0.02 0.32 1.15 -2.27 0.00 0.00 179.45 179.13 1mdk h THR 9 N 0.03 1.10 0.00 1.00 2.02 -2.01 -1.82 112.91 113.23 1mdk h THR 9 Ca 0.34 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1mdk h THR 9 Cb 1.31 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1mdk h THR 9 CO -0.02 0.12 -0.33 0.00 0.37 0.00 0.00 175.52 175.67 1mdk h ALA 10 N 1.20 1.11 0.09 6.16 0.00 -1.54 -2.86 119.26 123.42 1mdk h ALA 10 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 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 -0.06 0.41 -0.04 0.35 0.00 0.00 0.00 179.25 179.90 1mdk h PHE 11 N 0.00 -0.11 -0.78 0.00 3.57 -1.09 0.21 116.94 118.75 1mdk h PHE 11 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1mdk h PHE 11 Cb 0.75 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 1mdk h PHE 11 CO 0.00 -0.07 0.41 1.96 -2.23 0.00 0.00 178.31 178.38 1mdk h GLN 12 N -0.12 0.65 -0.68 1.11 1.08 -1.62 0.48 115.11 116.02 1mdk h GLN 12 Ca -0.01 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1mdk h GLN 12 Cb 0.09 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1mdk h GLN 12 CO 0.02 0.43 0.45 0.93 -0.95 0.00 0.00 178.83 179.71 1mdk h GLU 13 N 0.67 0.80 -0.22 1.46 5.08 -1.44 0.33 114.58 121.26 1mdk h GLU 13 Ca 0.39 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1mdk h GLU 13 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1mdk h GLU 13 CO -0.28 0.53 0.13 0.00 -1.00 0.00 0.00 179.01 178.40 1mdk h ALA 14 N 1.60 0.29 -0.38 3.43 0.00 0.17 0.20 119.26 124.57 1mdk h ALA 14 Ca 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1mdk h ALA 14 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mdk h ALA 14 CO -0.07 -0.20 0.06 -0.07 0.00 0.00 0.00 179.25 178.96 1mdk h LEU 15 N 0.27 0.60 -0.35 0.00 3.38 -1.02 0.44 115.31 118.62 1mdk h LEU 15 Ca 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1mdk h LEU 15 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1mdk h LEU 15 CO -0.01 0.70 0.15 -0.78 0.09 0.00 0.00 178.44 178.59 1mdk h ASP 16 N 0.46 0.48 1.27 -0.43 3.58 -0.72 -2.30 116.42 118.76 1mdk h ASP 16 Ca 0.11 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1mdk h ASP 16 Cb 0.36 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1mdk h ASP 16 CO 0.01 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.86 1mdk n ALA 17 N -2.28 2.27 0.43 -0.78 0.00 0.68 -3.13 120.51 117.70 1mdk n ALA 17 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1mdk n ALA 17 Cb 0.13 -1.46 0.30 0.00 0.00 0.00 0.00 19.45 18.41 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 1.58 -0.41 0.00 0.00 0.15 -4.94 120.51 115.21 1mdk n ALA 18 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1mdk n ALA 18 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 2.02 0.00 0.00 0.00 -1.18 -3.36 105.19 102.48 1mdk n GLY 19 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 6.85 1.21 -4.64 1.61 2.03 -1.26 -4.16 116.55 118.19 1mdk n ASP 20 Ca 0.00 -1.26 -0.28 0.00 0.52 0.00 0.00 54.79 53.76 1mdk n ASP 20 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 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 -0.26 0.05 0.89 -0.67 1.02 -1.21 -4.74 119.74 114.81 1mdk s LYS 21 Ca 0.00 0.53 -0.11 0.00 0.02 0.00 0.00 55.97 56.42 1mdk s LYS 21 Cb 0.00 -1.69 0.13 0.00 -0.52 0.00 0.00 37.83 35.75 1mdk s LYS 21 CO 0.00 -2.99 1.10 -1.17 -0.92 0.00 0.00 175.35 171.37 1mdk s LEU 22 N -6.64 2.52 -0.27 3.17 0.20 -1.26 -4.65 118.68 111.75 1mdk s LEU 22 Ca 0.66 1.81 -0.02 0.00 0.69 0.00 0.00 54.13 57.27 1mdk s LEU 22 Cb -0.20 -4.24 0.12 0.00 -0.43 0.00 0.00 46.19 41.44 1mdk s LEU 22 CO 0.59 -2.77 0.24 -0.69 -0.29 0.00 0.00 176.35 173.43 1mdk s VAL 23 N -2.79 -0.32 -0.21 1.68 1.01 -0.81 -2.22 120.40 116.75 1mdk s VAL 23 Ca 0.64 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1mdk s VAL 23 Cb -0.20 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1mdk s VAL 23 CO 0.58 -0.44 0.12 -0.69 0.00 0.00 0.00 175.10 174.66 1mdk s VAL 24 N 2.30 5.15 -0.10 2.92 1.01 -0.76 -0.38 120.40 130.53 1mdk s VAL 24 Ca 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1mdk s VAL 24 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1mdk s VAL 24 CO -0.28 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 174.54 1mdk s VAL 25 N 0.70 4.29 -0.46 2.92 1.01 -0.32 -1.24 120.40 127.29 1mdk s VAL 25 Ca 0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1mdk s VAL 25 Cb -0.13 -2.82 0.12 0.00 0.00 0.00 0.00 36.38 33.56 1mdk s VAL 25 CO 0.01 0.59 0.31 -0.62 0.00 0.00 0.00 175.10 175.39 1mdk s ASP 26 N -0.67 5.57 -1.31 3.32 2.15 -1.12 -2.75 116.67 121.85 1mdk s ASP 26 Ca 0.11 -2.00 -0.16 0.00 0.43 0.00 0.00 52.55 50.93 1mdk s ASP 26 Cb -0.12 -1.95 0.10 0.00 -0.30 0.00 0.00 42.92 40.65 1mdk s ASP 26 CO 0.02 -0.64 1.78 0.49 -0.17 0.00 0.00 175.17 176.65 1mdk n PHE 27 N 4.74 4.37 -2.89 -5.34 3.01 -1.11 -2.48 117.46 117.77 1mdk n PHE 27 Ca -0.05 -2.98 0.00 0.00 1.01 0.00 0.00 57.45 55.43 1mdk n PHE 27 Cb 0.41 -2.46 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 1mdk n PHE 27 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mdk n SER 28 N 6.96 0.40 -3.75 4.37 7.64 -1.15 -2.91 113.62 125.18 1mdk n SER 28 Ca 0.46 -0.69 -0.16 0.00 1.01 0.00 0.00 58.87 59.49 1mdk n SER 28 Cb 0.43 0.00 -0.16 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 0.07 0.35 -0.43 0.00 -1.26 -3.20 121.76 115.28 1mdk s ALA 29 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.37 1mdk s ALA 29 Cb 0.00 -0.35 0.64 0.00 0.00 0.00 0.00 23.12 23.41 1mdk s ALA 29 CO 0.00 -0.19 1.83 0.00 0.00 0.00 0.00 175.76 177.40 1mdk h THR 30 N 6.30 1.23 0.00 0.00 1.03 -1.99 -2.56 112.91 116.93 1mdk h THR 30 Ca -0.39 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 1mdk h THR 30 Cb 1.12 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 1mdk h THR 30 CO 0.41 0.32 -0.37 -2.67 -0.01 0.00 0.00 175.52 173.20 1mdk n TRP 31 N -4.19 0.14 -3.41 0.00 4.27 -1.26 -4.75 117.44 108.23 1mdk n TRP 31 Ca -0.01 0.04 -0.40 0.00 -3.89 0.00 0.00 57.50 53.24 1mdk n TRP 31 Cb 0.34 -0.41 -0.09 0.00 -1.36 0.00 0.00 31.31 29.78 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 8.67 -0.72 -0.06 0.00 0.00 -1.85 -1.94 103.07 107.17 1mdk h GLY 33 Ca -0.31 0.27 0.26 0.00 0.00 0.00 0.00 47.33 47.54 1mdk h GLY 33 CO 0.66 -0.26 0.67 -2.55 0.00 0.00 0.00 176.54 175.06 1mdk h PRO 34 N -0.72 0.36 0.10 4.80 0.11 -1.93 1.35 132.00 136.07 1mdk h PRO 34 Ca -0.07 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1mdk h PRO 34 Cb 0.54 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1mdk h PRO 34 CO 0.12 0.24 -0.05 0.00 -0.21 0.00 0.00 178.00 178.10 1mdk h ALA 35 N 1.60 -0.17 0.00 -0.75 0.00 -1.80 -3.26 119.26 114.88 1mdk h ALA 35 Ca 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1mdk h ALA 35 Cb 1.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1mdk h ALA 35 CO -0.25 -0.16 0.02 -0.22 0.00 0.00 0.00 179.25 178.63 1mdk h LYS 36 N -0.77 0.00 0.00 0.00 3.64 -0.98 -1.64 116.57 116.82 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 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1mdk h LYS 36 CO 0.02 0.00 0.00 1.98 -2.27 0.00 0.00 179.45 179.18 1mdk h MET 37 N 0.00 0.00 -0.67 1.90 4.05 0.17 -1.11 114.93 119.27 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 -2.98 1.62 0.10 1.77 5.41 -0.62 -4.48 119.36 120.19 1mdk n ILE 38 Ca -0.02 -1.15 -0.02 0.00 1.00 0.00 0.00 62.75 62.56 1mdk n ILE 38 Cb 0.10 0.23 0.22 0.00 -0.71 0.00 0.00 39.64 39.47 1mdk n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1mdk h LYS 39 N 4.15 0.20 0.00 0.38 2.10 -1.37 -2.73 116.57 119.30 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 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1mdk h LYS 39 CO 0.17 0.62 0.00 -2.30 -2.00 0.00 0.00 179.45 175.94 1mdk n PRO 40 N -3.99 0.11 0.00 0.07 -0.02 -1.26 -2.47 135.00 127.44 1mdk n PRO 40 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1mdk n PRO 40 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.20 0.00 -0.38 6.00 3.01 -1.04 -4.10 117.46 119.75 1mdk n PHE 41 Ca 0.03 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 1mdk n PHE 41 Cb 0.04 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 -1.49 -0.04 1.38 3.57 -1.64 0.77 116.94 119.49 1mdk h PHE 42 Ca 0.00 0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1mdk h PHE 42 Cb 0.00 0.78 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1mdk h PHE 42 CO 0.00 -0.39 -0.33 1.25 -2.23 0.00 0.00 178.31 176.60 1mdk h HIS 43 N -0.03 0.08 -0.50 0.41 2.76 -1.72 -2.84 115.15 113.31 1mdk h HIS 43 Ca 0.24 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1mdk h HIS 43 Cb 0.51 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1mdk h HIS 43 CO -0.93 0.40 -0.10 0.77 -1.30 0.00 0.00 177.93 176.78 1mdk h SER 44 N 0.07 0.91 -0.03 3.26 0.02 0.37 -2.56 113.55 115.60 1mdk h SER 44 Ca 0.01 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1mdk h SER 44 Cb 0.63 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1mdk h SER 44 CO 0.05 1.03 0.53 -0.07 -1.14 0.00 0.00 176.83 177.23 1mdk h LEU 45 N 0.83 0.00 -2.36 5.07 3.38 -0.45 0.15 115.31 121.94 1mdk h LEU 45 Ca 0.13 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1mdk h LEU 45 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1mdk h LEU 45 CO 0.04 0.00 0.19 0.28 0.09 0.00 0.00 178.44 179.04 1mdk h SER 46 N 0.00 0.00 0.20 -0.43 0.02 -1.59 0.44 113.55 112.18 1mdk h SER 46 Ca 0.01 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1mdk h SER 46 Cb 1.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1mdk h SER 46 CO -0.00 0.00 -2.02 -0.62 -1.14 0.00 0.00 176.83 173.05 1mdk n GLU 47 N -3.41 0.66 0.08 3.45 1.02 0.54 -3.91 120.64 119.07 1mdk n GLU 47 Ca -0.00 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1mdk n GLU 47 Cb 0.28 -1.61 0.05 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 -2.68 0.47 -3.26 3.49 4.81 -0.46 -4.45 118.16 116.07 1mdk n LYS 48 Ca -0.19 0.09 -0.25 0.00 -0.87 0.00 0.00 58.31 57.09 1mdk n LYS 48 Cb 0.93 -1.75 -0.07 0.00 0.02 0.00 0.00 35.03 34.15 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 -2.41 0.80 0.59 5.64 4.01 0.14 -4.90 117.16 121.03 1mdk n TYR 49 Ca 0.01 -3.73 0.06 0.00 -0.16 0.00 0.00 57.90 54.08 1mdk n TYR 49 Cb 0.50 -0.40 0.32 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.27 0.00 -0.84 7.72 3.41 -1.25 -1.62 113.62 122.31 1mdk n SER 50 Ca 0.24 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 59.12 1mdk n SER 50 Cb 0.49 -0.31 0.29 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.31 2.53 -4.41 4.04 2.85 -1.26 -4.74 115.26 112.96 1mdk n ASN 51 Ca 0.06 -1.84 -0.29 0.00 -0.11 0.00 0.00 54.58 52.39 1mdk n ASN 51 Cb 0.11 -0.13 -0.13 0.00 1.24 0.00 0.00 39.78 40.87 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1mdk s VAL 52 N -1.75 2.44 -0.26 3.44 1.01 -0.64 -4.55 120.40 120.09 1mdk s VAL 52 Ca 0.35 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 1mdk s VAL 52 Cb 0.20 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1mdk s VAL 52 CO 0.30 0.16 0.21 -0.63 0.00 0.00 0.00 175.10 175.14 1mdk s ILE 53 N -1.02 5.30 -0.17 2.22 -1.09 -0.94 -4.58 121.20 120.92 1mdk s ILE 53 Ca 0.15 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1mdk s ILE 53 Cb -0.10 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1mdk s ILE 53 CO 0.06 0.27 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.65 1mdk s PHE 54 N 1.57 3.03 0.42 3.97 0.08 -1.22 -1.84 117.98 123.99 1mdk s PHE 54 Ca 0.09 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.87 1mdk s PHE 54 Cb -0.15 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1mdk s PHE 54 CO 0.09 -0.09 0.29 -0.51 -0.10 0.00 0.00 175.22 174.90 1mdk s LEU 55 N 0.54 3.23 -0.02 -0.37 1.02 -0.37 -1.94 118.68 120.78 1mdk s LEU 55 Ca -0.02 -0.92 -0.01 0.00 0.02 0.00 0.00 54.13 53.20 1mdk s LEU 55 Cb -0.14 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.34 1mdk s LEU 55 CO 0.02 -0.63 0.04 -0.70 0.02 0.00 0.00 176.35 175.10 1mdk s GLU 56 N -4.04 0.03 -0.02 1.70 2.56 -0.61 -2.78 118.70 115.54 1mdk s GLU 56 Ca 0.44 0.08 0.01 0.00 0.00 0.00 0.00 54.97 55.50 1mdk s GLU 56 Cb 0.00 -0.04 0.01 0.00 2.00 0.00 0.00 34.13 36.11 1mdk s GLU 56 CO 0.25 -0.04 -0.03 0.08 -0.56 0.00 0.00 175.26 174.97 1mdk s VAL 57 N 0.24 0.31 -0.42 3.70 1.01 -1.03 -1.30 120.40 122.91 1mdk s VAL 57 Ca -0.02 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1mdk s VAL 57 Cb -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1mdk s VAL 57 CO -0.01 0.14 0.46 -0.62 0.00 0.00 0.00 175.10 175.07 1mdk s ASP 58 N 0.53 6.21 0.08 3.32 2.15 -1.26 -2.93 116.67 124.77 1mdk s ASP 58 Ca -0.06 -0.61 0.13 0.00 0.43 0.00 0.00 52.55 52.44 1mdk s ASP 58 Cb -0.09 -2.23 0.58 0.00 -0.30 0.00 0.00 42.92 40.87 1mdk s ASP 58 CO -0.01 -0.59 1.40 1.33 -0.17 0.00 0.00 175.17 177.14 1mdk n VAL 59 N 5.48 1.24 -0.10 1.11 0.24 -1.19 -0.26 118.33 124.85 1mdk n VAL 59 Ca -0.07 0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 62.47 1mdk n VAL 59 Cb 0.47 -1.24 -0.09 0.00 -1.47 0.00 0.00 33.84 31.51 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 -1.71 2.32 0.02 -1.34 8.00 -1.26 -4.10 116.55 118.48 1mdk n ASP 60 Ca 0.02 -0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.54 1mdk n ASP 60 Cb 0.12 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 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 -3.02 0.63 -2.50 -2.24 2.03 -1.19 -4.21 116.55 106.05 1mdk n ASP 61 Ca -0.34 -0.25 -0.22 0.00 0.52 0.00 0.00 54.79 54.50 1mdk n ASP 61 Cb 0.89 0.69 0.01 0.00 -0.72 0.00 0.00 41.12 41.98 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 -1.76 4.60 0.22 -1.67 0.00 0.64 -4.86 120.51 117.68 1mdk n ALA 62 Ca 0.03 -3.96 0.12 0.00 0.00 0.00 0.00 53.44 49.63 1mdk n ALA 62 Cb 0.41 -0.63 0.64 0.00 0.00 0.00 0.00 19.45 19.87 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 2.66 0.00 -0.36 0.00 4.20 -1.71 -0.92 115.11 118.98 1mdk h GLN 63 Ca 0.19 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1mdk h GLN 63 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1mdk h GLN 63 CO 0.74 0.00 -0.40 0.38 -0.67 0.00 0.00 178.83 178.88 1mdk h ASP 64 N 0.00 0.95 -0.04 1.46 2.03 -1.91 0.42 116.42 119.34 1mdk h ASP 64 Ca 0.00 -0.44 -0.07 0.00 -0.73 0.00 0.00 57.03 55.79 1mdk h ASP 64 Cb 0.32 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1mdk h ASP 64 CO 0.00 1.23 -0.24 0.58 -1.03 0.00 0.00 179.24 179.78 1mdk h VAL 65 N 0.73 1.47 -0.43 4.15 2.07 -1.54 -2.44 116.25 120.26 1mdk h VAL 65 Ca 0.06 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 1mdk h VAL 65 Cb 0.98 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1mdk h VAL 65 CO 0.10 0.48 0.04 0.00 0.02 0.00 0.00 177.57 178.21 1mdk h ALA 66 N 0.37 1.25 0.01 1.67 0.00 -1.52 -0.76 119.26 120.29 1mdk h ALA 66 Ca -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mdk h ALA 66 Cb 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mdk h ALA 66 CO 0.05 0.50 -0.01 0.77 0.00 0.00 0.00 179.25 180.57 1mdk h SER 67 N 0.65 -0.01 0.01 0.00 0.02 -0.13 0.43 113.55 114.51 1mdk h SER 67 Ca 0.14 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1mdk h SER 67 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1mdk h SER 67 CO 0.01 0.13 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.62 1mdk h GLU 68 N -0.15 0.27 -0.02 3.45 4.57 -1.21 -1.60 114.58 119.89 1mdk h GLU 68 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1mdk h GLU 68 Cb 0.15 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mdk h GLU 68 CO 0.00 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.24 1mdk n ALA 69 N -2.49 2.59 -3.99 2.92 0.00 -0.31 -4.94 120.51 114.29 1mdk n ALA 69 Ca -0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 1mdk n ALA 69 Cb 0.28 -1.20 -0.03 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 0.06 -3.05 -2.75 0.00 1.02 0.14 -4.89 120.64 111.18 1mdk n GLU 70 Ca 0.19 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.29 1mdk n GLU 70 Cb 0.33 -4.43 -0.04 0.00 -0.02 0.00 0.00 31.44 27.28 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 -4.01 4.74 0.00 2.62 1.01 -0.72 -4.91 120.40 119.13 1mdk s VAL 71 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1mdk s VAL 71 Cb -0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1mdk s VAL 71 CO 0.90 0.23 0.61 0.29 0.00 0.00 0.00 175.10 177.13 1mdk n LYS 72 N 3.43 0.92 -3.72 2.72 5.02 -1.26 -4.93 118.16 120.33 1mdk n LYS 72 Ca 0.04 -0.79 -0.14 0.00 -2.02 0.00 0.00 58.31 55.40 1mdk n LYS 72 Cb 0.50 -0.77 -0.09 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 -0.37 -1.01 0.06 7.82 0.00 -1.26 -5.17 121.76 121.83 1mdk s ALA 73 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.91 1mdk s ALA 73 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1mdk s ALA 73 CO 0.00 -0.23 -0.14 0.95 0.00 0.00 0.00 175.76 176.34 1mdk s THR 74 N -0.43 1.06 0.30 0.00 -4.23 -1.26 -3.87 115.64 107.21 1mdk s THR 74 Ca -0.06 -1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 58.96 1mdk s THR 74 Cb -0.03 -1.02 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 1mdk s THR 74 CO 0.03 -0.19 0.97 -2.16 -0.54 0.00 0.00 174.62 172.72 1mdk s PRO 75 N -1.60 4.64 -0.30 3.99 0.04 -1.26 -4.81 135.00 135.70 1mdk s PRO 75 Ca -0.02 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1mdk s PRO 75 Cb -0.10 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.52 1mdk s PRO 75 CO 0.02 0.32 0.02 0.99 0.04 0.00 0.00 177.00 178.39 1mdk s THR 76 N -1.44 3.24 -0.33 1.26 2.01 -1.15 -3.34 115.64 115.91 1mdk s THR 76 Ca 0.47 -1.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1mdk s THR 76 Cb -0.22 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1mdk s THR 76 CO 0.28 -0.07 0.82 -0.36 -0.69 0.00 0.00 174.62 174.60 1mdk s PHE 77 N 1.32 3.16 -0.10 4.92 0.08 -0.53 -2.77 117.98 124.06 1mdk s PHE 77 Ca -0.03 0.76 0.02 0.00 0.12 0.00 0.00 56.93 57.80 1mdk s PHE 77 Cb -0.19 -3.35 -0.01 0.00 -0.57 0.00 0.00 43.02 38.90 1mdk s PHE 77 CO -0.00 -0.66 -0.17 -0.65 -0.10 0.00 0.00 175.22 173.64 1mdk s GLN 78 N 3.10 3.09 -0.19 0.44 -0.21 -1.11 -0.15 119.66 124.62 1mdk s GLN 78 Ca 0.33 -0.75 -0.07 0.00 0.02 0.00 0.00 55.36 54.90 1mdk s GLN 78 Cb -0.13 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1mdk s GLN 78 CO 0.15 0.29 0.05 -0.06 -2.12 0.00 0.00 175.29 173.59 1mdk s PHE 79 N 0.12 3.17 0.20 0.91 0.40 -0.55 -1.17 117.98 121.05 1mdk s PHE 79 Ca -0.08 -0.10 0.10 0.00 -0.60 0.00 0.00 56.93 56.25 1mdk s PHE 79 Cb -0.15 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 1mdk s PHE 79 CO 0.05 -0.00 -0.21 -0.06 0.70 0.00 0.00 175.22 175.70 1mdk s PHE 80 N 0.67 2.13 -0.23 0.36 0.08 0.48 -2.35 117.98 119.13 1mdk s PHE 80 Ca 0.02 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.58 1mdk s PHE 80 Cb -0.13 -1.04 0.09 0.00 -0.57 0.00 0.00 43.02 41.37 1mdk s PHE 80 CO 0.02 0.47 0.51 0.21 -0.10 0.00 0.00 175.22 176.33 1mdk s LYS 81 N -2.85 0.45 -1.47 0.44 2.20 0.16 -1.92 119.74 116.74 1mdk s LYS 81 Ca 0.20 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1mdk s LYS 81 Cb -0.07 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1mdk s LYS 81 CO 0.09 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.51 1mdk n LYS 82 N 5.00 -1.88 -0.79 4.03 5.02 -1.26 -0.09 118.16 128.19 1mdk n LYS 82 Ca -0.14 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1mdk n LYS 82 Cb 0.52 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 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 -0.85 0.91 3.62 0.72 0.00 -1.26 -5.00 105.19 103.33 1mdk n GLY 83 Ca -0.20 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 -0.20 2.40 0.17 1.61 -0.21 0.87 -5.11 119.66 119.19 1mdk s GLN 84 Ca 0.00 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.34 1mdk s GLN 84 Cb 0.00 -2.44 -0.07 0.00 1.00 0.00 0.00 33.01 31.49 1mdk s GLN 84 CO 0.00 0.55 0.64 0.21 -2.12 0.00 0.00 175.29 174.57 1mdk s LYS 85 N -1.95 4.15 0.00 2.91 2.20 -1.26 0.35 119.74 126.14 1mdk s LYS 85 Ca 0.21 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 1mdk s LYS 85 Cb -0.11 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1mdk s LYS 85 CO 0.13 0.47 0.00 1.33 -0.36 0.00 0.00 175.35 176.92 1mdk n VAL 86 N 0.93 0.00 -3.89 4.02 0.24 -0.99 -4.93 118.33 113.71 1mdk n VAL 86 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1mdk n VAL 86 Cb 0.51 -0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.04 -0.19 -0.16 7.63 0.00 -1.25 -5.05 107.32 106.25 1mdk s GLY 87 Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 44.72 44.59 1mdk s GLY 87 CO 0.00 4.18 1.14 -1.83 0.00 0.00 0.00 173.10 176.58 1mdk s GLU 88 N -2.11 0.42 -0.29 2.90 -1.05 -1.26 -1.49 118.70 115.82 1mdk s GLU 88 Ca 0.25 -0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.81 1mdk s GLU 88 Cb 0.01 0.19 0.14 0.00 -0.44 0.00 0.00 34.13 34.03 1mdk s GLU 88 CO -0.01 -0.17 0.97 -0.59 0.95 0.00 0.00 175.26 176.41 1mdk s PHE 89 N -2.17 -0.58 0.00 4.83 -0.12 0.78 -4.99 117.98 115.73 1mdk s PHE 89 Ca 0.07 1.19 0.00 0.00 -0.05 0.00 0.00 56.93 58.14 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 -0.05 -0.29 0.00 -1.13 -0.05 0.00 0.00 175.22 173.70 1mdk n SER 90 N 3.56 0.15 -0.15 1.98 3.41 -1.26 -1.46 113.62 119.84 1mdk n SER 90 Ca -0.18 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 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 -2.83 3.55 5.00 0.00 -1.21 -4.72 105.19 109.97 1mdk n GLY 91 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 0.08 0.63 -3.24 4.61 0.00 -1.26 -4.78 120.51 116.54 1mdk n ALA 92 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 52.22 1mdk n ALA 92 Cb 0.00 -3.11 -0.07 0.00 0.00 0.00 0.00 19.45 16.27 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 15.72 -0.68 0.10 0.00 2.85 -1.26 -4.97 115.26 127.01 1mdk n ASN 93 Ca 0.44 -2.56 0.03 0.00 -0.11 0.00 0.00 54.58 52.38 1mdk n ASN 93 Cb 0.45 -0.26 0.41 0.00 1.24 0.00 0.00 39.78 41.62 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 5.02 0.29 0.00 1.20 -0.00 -1.98 -1.65 116.57 119.45 1mdk h LYS 94 Ca 0.17 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.65 60.74 1mdk h LYS 94 Cb 0.92 -0.05 -0.00 0.00 -0.00 0.00 0.00 32.23 33.10 1mdk h LYS 94 CO 0.36 0.35 -0.13 0.93 -0.00 0.00 0.00 179.45 180.96 1mdk h GLU 95 N 0.28 0.00 -0.23 0.07 5.08 -2.00 -2.42 114.58 115.36 1mdk h GLU 95 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1mdk h GLU 95 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1mdk h GLU 95 CO 0.01 0.13 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.42 1mdk h LYS 96 N 0.00 0.66 -0.92 2.33 3.64 -1.72 -2.93 116.57 117.63 1mdk h LYS 96 Ca -0.00 -0.40 0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1mdk h LYS 96 Cb 0.36 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1mdk h LYS 96 CO 0.02 1.01 0.60 -0.07 -2.27 0.00 0.00 179.45 178.73 1mdk h LEU 97 N 0.51 0.50 0.65 5.20 3.38 -1.45 0.23 115.31 124.33 1mdk h LEU 97 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1mdk h LEU 97 Cb 1.07 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1mdk h LEU 97 CO 0.10 0.20 -0.31 -0.08 0.09 0.00 0.00 178.44 178.44 1mdk h GLU 98 N 0.50 -0.85 -0.86 1.13 4.81 -1.61 -0.77 114.58 116.93 1mdk h GLU 98 Ca 0.48 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1mdk h GLU 98 Cb 1.07 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1mdk h GLU 98 CO -0.21 -0.54 0.57 0.00 -0.73 0.00 0.00 179.01 178.10 1mdk h ALA 99 N -1.10 1.40 -0.26 2.92 0.00 -1.40 -1.72 119.26 119.09 1mdk h ALA 99 Ca -0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mdk h ALA 99 Cb 0.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1mdk h ALA 99 CO 0.15 0.55 -0.05 1.15 0.00 0.00 0.00 179.25 181.05 1mdk h THR 100 N 1.16 1.28 0.29 0.00 2.02 -0.57 -2.06 112.91 115.03 1mdk h THR 100 Ca 0.32 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1mdk h THR 100 Cb -0.11 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1mdk h THR 100 CO -0.08 0.33 -0.14 0.40 0.37 0.00 0.00 175.52 176.40 1mdk h ILE 101 N 0.26 0.73 0.00 3.11 2.04 -0.83 -1.08 117.51 121.74 1mdk h ILE 101 Ca 0.07 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1mdk h ILE 101 Cb 0.52 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1mdk h ILE 101 CO 0.02 0.02 0.04 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N -0.45 0.00 0.08 1.72 -1.24 -1.32 0.20 115.58 114.57 1mdk h ASN 102 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1mdk h ASN 102 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1mdk h ASN 102 CO 0.07 0.00 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.09 1mdk h GLU 103 N 0.00 -0.11 -0.62 6.67 4.57 -0.47 -3.33 114.58 121.30 1mdk h GLU 103 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1mdk h GLU 103 Cb 0.08 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1mdk h GLU 103 CO 0.00 0.23 0.00 1.28 -1.18 0.00 0.00 179.01 179.34 1mdk n LEU 104 N -4.81 3.42 0.00 1.64 4.77 -0.81 -5.11 117.00 116.10 1mdk n LEU 104 Ca -0.05 -1.73 0.03 0.00 -0.03 0.00 0.00 56.01 54.24 1mdk n LEU 104 Cb 0.19 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 40.99 1mdk n LEU 104 CO 0.15 0.57 0.43 0.55 -1.33 0.00 0.00 177.39 177.76