#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 3.90 -0.22 2.03 1.01 -1.26 -2.56 120.40 123.30 1mdk s VAL 2 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1mdk s VAL 2 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.02 1mdk s VAL 2 CO 0.00 -0.27 0.53 -0.75 0.00 0.00 0.00 175.10 174.61 1mdk s LYS 3 N -4.49 0.53 0.05 2.72 2.20 -0.86 -4.95 119.74 114.95 1mdk s LYS 3 Ca 0.48 0.96 -0.20 0.00 -0.36 0.00 0.00 55.97 56.86 1mdk s LYS 3 Cb -0.10 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.22 1mdk s LYS 3 CO 0.36 -0.15 0.60 -1.14 -0.36 0.00 0.00 175.35 174.66 1mdk s GLN 4 N 1.43 4.27 -0.48 4.03 0.74 -1.26 -1.60 119.66 126.80 1mdk s GLN 4 Ca -0.09 0.77 0.03 0.00 0.05 0.00 0.00 55.36 56.12 1mdk s GLN 4 Cb -0.07 -3.28 0.12 0.00 1.10 0.00 0.00 33.01 30.89 1mdk s GLN 4 CO -0.15 0.54 0.21 0.42 -0.55 0.00 0.00 175.29 175.76 1mdk s ILE 5 N -0.78 2.60 -2.65 -2.34 -1.09 -0.72 -4.91 121.20 111.32 1mdk s ILE 5 Ca 0.30 -3.00 0.25 0.00 -2.23 0.00 0.00 60.65 55.97 1mdk s ILE 5 Cb -0.19 -2.82 0.26 0.00 -1.58 0.00 0.00 42.46 38.12 1mdk s ILE 5 CO 0.19 -0.75 1.38 -0.62 -1.23 0.00 0.00 174.94 173.92 1mdk n GLU 6 N 3.48 1.90 -3.71 2.79 1.02 -1.26 -4.30 120.64 120.56 1mdk n GLU 6 Ca 0.05 -1.45 -0.14 0.00 -0.02 0.00 0.00 57.16 55.60 1mdk n GLU 6 Cb 0.35 -1.47 -0.08 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 -2.10 -0.33 0.54 1.62 1.04 -1.26 -4.52 113.70 108.69 1mdk s SER 7 Ca 0.29 0.36 0.29 0.00 0.48 0.00 0.00 55.95 57.37 1mdk s SER 7 Cb 0.20 0.47 1.46 0.00 0.10 0.00 0.00 66.02 68.25 1mdk s SER 7 CO 0.36 -0.41 1.92 0.50 0.98 0.00 0.00 173.24 176.60 1mdk h LYS 8 N 4.06 0.00 -0.43 4.02 3.64 -1.91 0.24 116.57 126.18 1mdk h LYS 8 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1mdk h LYS 8 Cb 1.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1mdk h LYS 8 CO 0.36 0.00 0.27 1.15 -2.27 0.00 0.00 179.45 178.97 1mdk h THR 9 N 0.00 1.13 0.00 1.00 2.02 -2.00 -1.87 112.91 113.19 1mdk h THR 9 Ca 0.33 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1mdk h THR 9 Cb 1.39 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1mdk h THR 9 CO -0.00 0.13 -0.35 0.00 0.37 0.00 0.00 175.52 175.66 1mdk h ALA 10 N 1.14 1.16 0.39 6.16 0.00 -1.35 -2.75 119.26 124.01 1mdk h ALA 10 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 10 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1mdk h ALA 10 CO -0.03 0.44 -0.21 0.35 0.00 0.00 0.00 179.25 179.79 1mdk h PHE 11 N 0.00 -0.56 -0.51 0.00 3.57 -0.95 0.32 116.94 118.81 1mdk h PHE 11 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1mdk h PHE 11 Cb 0.74 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1mdk h PHE 11 CO 0.00 -0.33 0.20 1.96 -2.23 0.00 0.00 178.31 177.91 1mdk h GLN 12 N -0.56 0.38 -0.56 1.11 4.20 -1.57 -0.37 115.11 117.75 1mdk h GLN 12 Ca -0.05 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1mdk h GLN 12 Cb 0.44 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1mdk h GLN 12 CO 0.07 0.25 0.37 0.93 -0.67 0.00 0.00 178.83 179.78 1mdk h GLU 13 N 0.39 0.54 -0.26 1.46 5.08 -1.39 -0.83 114.58 119.57 1mdk h GLU 13 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1mdk h GLU 13 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1mdk h GLU 13 CO -0.23 0.36 0.14 0.00 -1.00 0.00 0.00 179.01 178.28 1mdk h ALA 14 N 1.69 0.34 -0.42 3.43 0.00 0.14 0.36 119.26 124.80 1mdk h ALA 14 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1mdk h ALA 14 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mdk h ALA 14 CO -0.07 -0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.13 1mdk h LEU 15 N 0.31 0.59 -0.92 0.00 3.38 -0.97 0.58 115.31 118.29 1mdk h LEU 15 Ca 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1mdk h LEU 15 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1mdk h LEU 15 CO -0.01 0.62 0.14 -0.78 0.09 0.00 0.00 178.44 178.50 1mdk h ASP 16 N 0.53 0.88 1.70 -0.43 1.82 -0.92 -1.86 116.42 118.14 1mdk h ASP 16 Ca 0.14 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1mdk h ASP 16 Cb 0.23 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1mdk h ASP 16 CO -0.01 0.86 -0.01 0.00 -1.61 0.00 0.00 179.24 178.47 1mdk h ALA 17 N 1.26 0.99 0.00 -0.78 0.00 0.11 -3.11 119.26 117.73 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 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 -1.93 1.58 -0.44 0.00 0.00 0.20 -4.92 120.51 115.01 1mdk n ALA 18 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1mdk n ALA 18 Cb 0.48 -1.29 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 1.50 0.00 0.00 0.00 -1.18 -3.07 105.19 102.27 1mdk n GLY 19 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 10.64 0.17 -4.72 1.61 2.03 -1.26 -4.45 116.55 120.58 1mdk n ASP 20 Ca 0.00 -0.96 -0.30 0.00 0.52 0.00 0.00 54.79 54.05 1mdk n ASP 20 Cb 0.00 0.01 0.13 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.01 1.42 0.99 -0.67 1.02 -1.17 -4.79 119.74 116.52 1mdk s LYS 21 Ca 0.00 0.99 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 1mdk s LYS 21 Cb 0.00 -1.81 0.19 0.00 -0.52 0.00 0.00 37.83 35.68 1mdk s LYS 21 CO 0.00 -2.18 1.10 -1.17 -0.92 0.00 0.00 175.35 172.18 1mdk s LEU 22 N -6.22 2.12 -0.21 3.17 0.20 -1.26 -4.74 118.68 111.74 1mdk s LEU 22 Ca 0.63 1.87 -0.04 0.00 0.69 0.00 0.00 54.13 57.28 1mdk s LEU 22 Cb -0.18 -4.11 0.09 0.00 -0.43 0.00 0.00 46.19 41.55 1mdk s LEU 22 CO 0.57 -3.36 0.19 -0.69 -0.29 0.00 0.00 176.35 172.76 1mdk s VAL 23 N -2.63 -0.25 -0.15 1.68 1.01 -0.92 -1.90 120.40 117.23 1mdk s VAL 23 Ca 0.67 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1mdk s VAL 23 Cb -0.23 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1mdk s VAL 23 CO 0.60 -0.29 0.07 -0.69 0.00 0.00 0.00 175.10 174.79 1mdk s VAL 24 N 2.26 4.87 -0.09 2.92 1.01 -0.78 -0.60 120.40 129.99 1mdk s VAL 24 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1mdk s VAL 24 Cb -0.16 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1mdk s VAL 24 CO -0.15 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1mdk s VAL 25 N -0.11 3.72 -0.40 2.92 1.01 0.64 -1.41 120.40 126.78 1mdk s VAL 25 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1mdk s VAL 25 Cb -0.12 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 33.79 1mdk s VAL 25 CO 0.01 0.57 0.22 -0.62 0.00 0.00 0.00 175.10 175.28 1mdk s ASP 26 N -0.47 5.48 -1.24 3.32 2.15 -1.15 -2.39 116.67 122.37 1mdk s ASP 26 Ca 0.07 -1.57 -0.15 0.00 0.43 0.00 0.00 52.55 51.33 1mdk s ASP 26 Cb -0.12 -1.92 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 1mdk s ASP 26 CO 0.02 -0.51 1.53 -0.36 -0.17 0.00 0.00 175.17 175.68 1mdk s PHE 27 N 1.35 3.30 0.07 -5.34 0.40 -1.06 -2.39 117.98 114.31 1mdk s PHE 27 Ca 0.03 -2.00 0.07 0.00 -0.60 0.00 0.00 56.93 54.43 1mdk s PHE 27 Cb -0.23 -4.44 -0.04 0.00 0.51 0.00 0.00 43.02 38.82 1mdk s PHE 27 CO 0.01 -1.51 -0.14 -1.12 0.70 0.00 0.00 175.22 173.15 1mdk s SER 28 N 3.22 4.13 -0.22 1.36 0.01 -1.18 -3.11 113.70 117.92 1mdk s SER 28 Ca 0.46 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1mdk s SER 28 Cb -0.01 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 1mdk s SER 28 CO 0.03 0.22 0.52 0.00 0.41 0.00 0.00 173.24 174.41 1mdk s ALA 29 N -1.08 3.56 0.35 1.44 0.00 -1.26 -4.36 121.76 120.40 1mdk s ALA 29 Ca 0.18 -0.44 0.36 0.00 0.00 0.00 0.00 51.96 52.05 1mdk s ALA 29 Cb -0.11 -2.84 1.71 0.00 0.00 0.00 0.00 23.12 21.88 1mdk s ALA 29 CO 0.10 -0.52 2.12 0.00 0.00 0.00 0.00 175.76 177.45 1mdk h THR 30 N 5.19 0.14 0.00 0.00 1.03 -1.99 -2.02 112.91 115.27 1mdk h THR 30 Ca -0.32 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1mdk h THR 30 Cb 1.15 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1mdk h THR 30 CO 0.74 0.03 -0.72 4.11 -0.01 0.00 0.00 175.52 179.67 1mdk h TRP 31 N 0.00 0.00 -3.19 0.00 5.08 -2.03 -3.46 115.95 112.35 1mdk h TRP 31 Ca -0.00 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.38 1mdk h TRP 31 Cb 0.32 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.42 1mdk h TRP 31 CO 0.00 0.00 -0.13 0.00 -1.28 0.00 0.00 178.44 177.03 1mdk h GLY 33 N 5.33 -0.39 -0.05 0.00 0.00 -1.89 -2.73 103.07 103.34 1mdk h GLY 33 Ca -0.47 0.15 0.27 0.00 0.00 0.00 0.00 47.33 47.27 1mdk h GLY 33 CO 0.67 -0.14 0.69 -2.55 0.00 0.00 0.00 176.54 175.21 1mdk h PRO 34 N -1.04 0.22 0.11 4.80 0.11 -1.95 0.95 132.00 135.20 1mdk h PRO 34 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1mdk h PRO 34 Cb 0.41 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1mdk h PRO 34 CO 0.06 0.14 -0.05 0.00 -0.21 0.00 0.00 178.00 177.94 1mdk h ALA 35 N 1.56 -0.15 -0.03 -0.75 0.00 -1.86 -3.27 119.26 114.76 1mdk h ALA 35 Ca 0.53 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1mdk h ALA 35 Cb 1.67 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1mdk h ALA 35 CO -0.15 -0.14 0.07 -0.22 0.00 0.00 0.00 179.25 178.81 1mdk h LYS 36 N -1.00 0.00 0.00 0.00 3.64 -1.11 -1.34 116.57 116.76 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 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mdk h LYS 36 CO 0.02 0.00 -0.00 1.98 -2.27 0.00 0.00 179.45 179.18 1mdk h MET 37 N 0.00 0.00 -0.61 1.90 4.05 0.88 -1.08 114.93 120.07 1mdk h MET 37 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1mdk h MET 37 Cb 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 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 -3.28 0.85 0.10 1.77 5.41 -0.50 -4.47 119.36 119.23 1mdk n ILE 38 Ca -0.03 -0.93 0.01 0.00 1.00 0.00 0.00 62.75 62.80 1mdk n ILE 38 Cb 0.09 0.65 0.33 0.00 -0.71 0.00 0.00 39.64 39.99 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 4.18 0.27 0.00 0.38 2.10 -1.32 -2.51 116.57 119.67 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 0.97 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1mdk h LYS 39 CO 0.00 0.47 0.00 -2.30 -2.00 0.00 0.00 179.45 175.62 1mdk n PRO 40 N -4.20 0.05 0.00 0.07 -0.02 -1.26 -1.96 135.00 127.68 1mdk n PRO 40 Ca -0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1mdk n PRO 40 Cb 0.33 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.75 0.00 -0.25 6.00 3.01 -0.95 -3.56 117.46 119.95 1mdk n PHE 41 Ca -0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.45 1mdk n PHE 41 Cb 0.03 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.56 -0.19 1.38 3.57 -1.57 0.37 116.94 119.93 1mdk h PHE 42 Ca 0.00 0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1mdk h PHE 42 Cb 0.00 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1mdk h PHE 42 CO 0.00 -0.34 -0.32 1.25 -2.23 0.00 0.00 178.31 176.67 1mdk h HIS 43 N -0.04 0.44 -0.65 0.41 2.76 -1.65 -2.99 115.15 113.43 1mdk h HIS 43 Ca 0.33 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1mdk h HIS 43 Cb 0.55 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1mdk h HIS 43 CO -0.62 0.67 0.35 1.03 -1.30 0.00 0.00 177.93 178.06 1mdk h SER 44 N 0.34 0.82 0.00 3.26 0.87 -0.39 -1.08 113.55 117.36 1mdk h SER 44 Ca 0.04 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1mdk h SER 44 Cb 0.73 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1mdk h SER 44 CO 0.06 0.69 0.40 -0.07 -0.53 0.00 0.00 176.83 177.37 1mdk h LEU 45 N 0.89 0.00 -1.71 2.23 3.38 -0.96 0.18 115.31 119.31 1mdk h LEU 45 Ca 0.23 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1mdk h LEU 45 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1mdk h LEU 45 CO -0.03 0.00 0.35 0.28 0.09 0.00 0.00 178.44 179.13 1mdk h SER 46 N 0.00 0.30 0.45 -0.43 0.02 -1.30 0.52 113.55 113.12 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 0.79 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1mdk h SER 46 CO 0.00 0.19 -1.23 -0.62 -1.14 0.00 0.00 176.83 174.02 1mdk n GLU 47 N -4.47 0.43 0.09 3.45 -0.58 0.62 -3.79 120.64 116.41 1mdk n GLU 47 Ca 0.08 -0.02 0.10 0.00 -0.42 0.00 0.00 57.16 56.90 1mdk n GLU 47 Cb 0.34 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mdk n LYS 48 N -2.18 0.61 -3.29 3.49 4.81 -0.29 -4.47 118.16 116.84 1mdk n LYS 48 Ca 0.00 0.14 -0.25 0.00 -0.87 0.00 0.00 58.31 57.33 1mdk n LYS 48 Cb 0.49 -1.82 -0.08 0.00 0.02 0.00 0.00 35.03 33.64 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 -2.71 0.71 0.53 5.64 4.01 0.17 -4.90 117.16 120.60 1mdk n TYR 49 Ca -0.02 -3.71 0.05 0.00 -0.16 0.00 0.00 57.90 54.06 1mdk n TYR 49 Cb 0.60 -0.36 0.27 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.40 0.00 -0.87 7.72 3.41 -1.25 -1.19 113.62 122.84 1mdk n SER 50 Ca 0.24 0.05 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1mdk n SER 50 Cb 0.49 -0.24 0.24 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.24 2.68 -4.42 4.04 5.15 -1.26 -4.65 115.26 115.56 1mdk n ASN 51 Ca 0.06 -1.87 -0.29 0.00 -0.60 0.00 0.00 54.58 51.88 1mdk n ASN 51 Cb 0.08 -0.08 -0.12 0.00 -0.53 0.00 0.00 39.78 39.12 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 -1.84 2.42 -0.18 3.44 1.01 -0.33 -4.52 120.40 120.39 1mdk s VAL 52 Ca 0.33 -1.72 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 1mdk s VAL 52 Cb 0.21 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1mdk s VAL 52 CO 0.31 0.08 0.12 -0.63 0.00 0.00 0.00 175.10 174.97 1mdk s ILE 53 N -1.13 5.32 -0.09 2.22 -1.09 -0.80 -3.84 121.20 121.79 1mdk s ILE 53 Ca 0.16 0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1mdk s ILE 53 Cb -0.10 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1mdk s ILE 53 CO 0.07 0.47 -0.20 -0.36 -1.23 0.00 0.00 174.94 173.69 1mdk s PHE 54 N 0.13 2.61 0.48 3.97 0.08 -1.06 -1.87 117.98 122.31 1mdk s PHE 54 Ca 0.08 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.43 1mdk s PHE 54 Cb -0.11 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1mdk s PHE 54 CO -0.01 -0.25 0.21 -0.51 -0.10 0.00 0.00 175.22 174.56 1mdk s LEU 55 N 0.09 2.77 -0.02 -0.37 1.02 -0.50 -2.03 118.68 119.65 1mdk s LEU 55 Ca -0.09 -1.28 -0.04 0.00 0.02 0.00 0.00 54.13 52.74 1mdk s LEU 55 Cb -0.15 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.89 1mdk s LEU 55 CO 0.06 -0.80 0.09 -0.70 0.02 0.00 0.00 176.35 175.02 1mdk s GLU 56 N -4.02 0.19 -0.01 1.70 2.12 -0.63 -2.93 118.70 115.12 1mdk s GLU 56 Ca 0.30 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1mdk s GLU 56 Cb 0.01 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.51 1mdk s GLU 56 CO 0.17 -0.03 0.02 0.08 -0.54 0.00 0.00 175.26 174.95 1mdk s VAL 57 N -0.33 -0.01 -0.48 3.70 1.01 -1.01 -1.75 120.40 121.53 1mdk s VAL 57 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1mdk s VAL 57 Cb -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 36.38 36.35 1mdk s VAL 57 CO 0.00 0.06 0.45 -0.62 0.00 0.00 0.00 175.10 175.00 1mdk s ASP 58 N 0.68 6.16 0.00 3.32 2.15 -1.26 -3.08 116.67 124.65 1mdk s ASP 58 Ca -0.06 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 51.68 1mdk s ASP 58 Cb -0.08 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1mdk s ASP 58 CO -0.02 -0.71 0.72 1.33 -0.17 0.00 0.00 175.17 176.32 1mdk n VAL 59 N 5.29 0.91 -0.07 1.11 0.24 -1.26 0.07 118.33 124.62 1mdk n VAL 59 Ca -0.11 0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.29 1mdk n VAL 59 Cb 0.44 -1.23 -0.06 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 -1.22 2.12 0.01 -1.34 8.00 -1.26 -4.25 116.55 118.61 1mdk n ASP 60 Ca 0.00 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.65 1mdk n ASP 60 Cb 0.01 -0.32 0.18 0.00 -0.02 0.00 0.00 41.12 40.96 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 -3.25 0.59 -2.45 -2.24 2.03 -1.06 -4.08 116.55 106.09 1mdk n ASP 61 Ca -0.28 -0.32 -0.21 0.00 0.52 0.00 0.00 54.79 54.50 1mdk n ASP 61 Cb 0.75 0.39 0.01 0.00 -0.72 0.00 0.00 41.12 41.55 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 -1.55 4.57 0.25 -1.67 0.00 0.11 -4.84 120.51 117.38 1mdk n ALA 62 Ca 0.05 -3.88 0.13 0.00 0.00 0.00 0.00 53.44 49.74 1mdk n ALA 62 Cb 0.35 -0.60 0.70 0.00 0.00 0.00 0.00 19.45 19.90 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 2.59 0.00 -0.25 0.00 4.20 -1.71 -0.01 115.11 119.93 1mdk h GLN 63 Ca 0.21 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.73 1mdk h GLN 63 Cb 1.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 1mdk h GLN 63 CO 0.72 0.00 -0.58 0.38 -0.67 0.00 0.00 178.83 178.68 1mdk h ASP 64 N 0.00 0.88 -0.02 1.46 2.03 -1.92 0.15 116.42 119.00 1mdk h ASP 64 Ca 0.00 -0.49 -0.04 0.00 -0.73 0.00 0.00 57.03 55.78 1mdk h ASP 64 Cb 0.41 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1mdk h ASP 64 CO 0.00 1.27 -0.14 0.58 -1.03 0.00 0.00 179.24 179.92 1mdk h VAL 65 N 0.60 1.52 -0.08 4.15 2.07 -1.38 -2.82 116.25 120.31 1mdk h VAL 65 Ca 0.01 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 1mdk h VAL 65 Cb 1.17 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1mdk h VAL 65 CO 0.12 0.47 -0.14 0.00 0.02 0.00 0.00 177.57 178.03 1mdk h ALA 66 N 0.33 1.62 0.58 1.67 0.00 -1.55 -1.59 119.26 120.32 1mdk h ALA 66 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1mdk h ALA 66 Cb 0.83 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1mdk h ALA 66 CO 0.03 0.28 -0.28 0.77 0.00 0.00 0.00 179.25 180.05 1mdk h SER 67 N 0.12 -0.66 0.21 0.00 0.02 -0.67 0.17 113.55 112.74 1mdk h SER 67 Ca 0.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1mdk h SER 67 Cb 0.33 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1mdk h SER 67 CO 0.02 -0.34 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.19 1mdk h GLU 68 N -0.98 0.00 -0.01 3.45 4.57 -1.38 -0.84 114.58 119.39 1mdk h GLU 68 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1mdk h GLU 68 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1mdk h GLU 68 CO 0.13 0.10 -0.14 0.00 -1.18 0.00 0.00 179.01 177.92 1mdk n ALA 69 N -2.36 2.85 -3.92 2.92 0.00 -0.61 -4.95 120.51 114.44 1mdk n ALA 69 Ca -0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 1mdk n ALA 69 Cb 0.20 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.43 -2.43 -2.69 0.00 1.02 0.53 -4.88 120.64 111.76 1mdk n GLU 70 Ca 0.15 0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 57.24 1mdk n GLU 70 Cb 0.33 -4.22 -0.03 0.00 -0.02 0.00 0.00 31.44 27.50 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 -3.84 4.80 0.00 2.62 1.01 -0.90 -4.90 120.40 119.20 1mdk s VAL 71 Ca 0.15 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1mdk s VAL 71 Cb -0.06 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1mdk s VAL 71 CO 0.90 0.15 0.30 0.29 0.00 0.00 0.00 175.10 176.74 1mdk n LYS 72 N 3.94 0.34 -3.70 2.72 4.76 -1.26 -4.98 118.16 119.98 1mdk n LYS 72 Ca 0.06 -0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.09 1mdk n LYS 72 Cb 0.51 -0.78 -0.11 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 -0.14 -1.05 0.12 7.82 0.00 -1.26 -5.16 121.76 122.09 1mdk s ALA 73 Ca 0.00 1.50 0.08 0.00 0.00 0.00 0.00 51.96 53.54 1mdk s ALA 73 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1mdk s ALA 73 CO 0.00 -0.26 -0.14 0.95 0.00 0.00 0.00 175.76 176.31 1mdk s THR 74 N 1.29 3.05 0.34 0.00 -4.23 -1.26 -3.74 115.64 111.09 1mdk s THR 74 Ca -0.09 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.71 1mdk s THR 74 Cb -0.08 -2.43 -0.09 0.00 1.34 0.00 0.00 72.50 71.24 1mdk s THR 74 CO -0.12 0.07 1.02 -2.16 -0.54 0.00 0.00 174.62 172.89 1mdk s PRO 75 N -2.26 4.43 -0.26 3.99 0.04 -1.26 -4.82 135.00 134.85 1mdk s PRO 75 Ca 0.20 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1mdk s PRO 75 Cb -0.10 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1mdk s PRO 75 CO 0.12 0.10 -0.06 0.99 0.04 0.00 0.00 177.00 178.18 1mdk s THR 76 N -1.53 2.75 -0.22 1.26 2.01 -1.18 -3.02 115.64 115.71 1mdk s THR 76 Ca 0.52 -1.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1mdk s THR 76 Cb -0.23 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1mdk s THR 76 CO 0.29 0.13 0.62 -0.36 -0.69 0.00 0.00 174.62 174.61 1mdk s PHE 77 N 1.28 3.34 -0.05 4.92 0.08 -0.31 -2.57 117.98 124.66 1mdk s PHE 77 Ca -0.02 0.87 0.06 0.00 0.12 0.00 0.00 56.93 57.97 1mdk s PHE 77 Cb -0.17 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1mdk s PHE 77 CO -0.04 -0.23 -0.24 -0.65 -0.10 0.00 0.00 175.22 173.95 1mdk s GLN 78 N 2.12 2.51 -0.14 0.44 -0.21 -1.01 -0.30 119.66 123.08 1mdk s GLN 78 Ca 0.27 -0.90 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 1mdk s GLN 78 Cb -0.16 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 1mdk s GLN 78 CO 0.10 0.41 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.57 1mdk s PHE 79 N -0.23 3.00 0.15 0.91 0.40 -0.53 -0.26 117.98 121.41 1mdk s PHE 79 Ca -0.01 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1mdk s PHE 79 Cb -0.13 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1mdk s PHE 79 CO 0.03 0.03 -0.13 -0.06 0.70 0.00 0.00 175.22 175.78 1mdk s PHE 80 N 0.13 1.45 -0.21 0.36 0.08 0.23 -2.60 117.98 117.42 1mdk s PHE 80 Ca -0.02 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.34 1mdk s PHE 80 Cb -0.14 -0.73 0.08 0.00 -0.57 0.00 0.00 43.02 41.66 1mdk s PHE 80 CO 0.03 0.18 0.48 0.21 -0.10 0.00 0.00 175.22 176.03 1mdk s LYS 81 N -3.13 0.43 -1.35 0.44 2.20 0.24 -2.16 119.74 116.42 1mdk s LYS 81 Ca 0.14 1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.75 1mdk s LYS 81 Cb -0.02 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1mdk s LYS 81 CO 0.03 -0.20 0.28 1.63 -0.36 0.00 0.00 175.35 176.73 1mdk n LYS 82 N 4.86 -3.11 -1.00 4.03 5.02 -1.26 0.59 118.16 127.29 1mdk n LYS 82 Ca -0.16 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1mdk n LYS 82 Cb 0.53 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -1.11 0.43 3.49 0.72 0.00 -1.26 -5.01 105.19 102.44 1mdk n GLY 83 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.34 2.25 0.27 1.61 -1.52 0.20 -5.12 119.66 117.00 1mdk s GLN 84 Ca 0.00 -0.88 -0.18 0.00 -1.95 0.00 0.00 55.36 52.35 1mdk s GLN 84 Cb 0.00 -2.28 -0.09 0.00 -0.22 0.00 0.00 33.01 30.42 1mdk s GLN 84 CO 0.00 0.57 0.74 0.21 -0.25 0.00 0.00 175.29 176.55 1mdk s LYS 85 N -1.31 4.16 0.00 2.91 2.20 -1.26 0.81 119.74 127.25 1mdk s LYS 85 Ca 0.15 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1mdk s LYS 85 Cb -0.11 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1mdk s LYS 85 CO 0.05 0.30 0.00 1.33 -0.36 0.00 0.00 175.35 176.67 1mdk n VAL 86 N 0.29 0.00 -3.89 4.02 0.24 -1.07 -4.90 118.33 113.01 1mdk n VAL 86 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1mdk n VAL 86 Cb 0.52 -0.47 0.01 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.97 -0.02 -0.17 7.63 0.00 -1.25 -5.05 107.32 106.48 1mdk s GLY 87 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 44.72 44.28 1mdk s GLY 87 CO 0.00 3.22 1.15 -1.83 0.00 0.00 0.00 173.10 175.65 1mdk s GLU 88 N -2.19 0.39 -0.29 2.90 4.04 -1.26 -1.46 118.70 120.83 1mdk s GLU 88 Ca 0.23 -0.08 -0.20 0.00 0.04 0.00 0.00 54.97 54.97 1mdk s GLU 88 Cb -0.01 0.18 0.14 0.00 0.02 0.00 0.00 34.13 34.45 1mdk s GLU 88 CO 0.02 -0.16 1.01 -0.59 -1.84 0.00 0.00 175.26 173.70 1mdk s PHE 89 N -2.09 -0.53 0.08 4.83 -0.12 0.59 -5.00 117.98 115.74 1mdk s PHE 89 Ca 0.07 1.14 0.01 0.00 -0.05 0.00 0.00 56.93 58.10 1mdk s PHE 89 Cb -0.01 0.36 0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1mdk s PHE 89 CO -0.05 -0.26 0.08 -1.13 -0.05 0.00 0.00 175.22 173.81 1mdk n SER 90 N 3.07 0.85 -0.02 1.98 3.41 -1.26 -1.17 113.62 120.47 1mdk n SER 90 Ca -0.16 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 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 4.07 -0.12 3.54 5.00 0.00 -1.17 -4.78 105.19 111.73 1mdk n GLY 91 Ca 0.01 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 1.78 0.59 -3.25 4.61 0.00 -1.26 -4.74 120.51 118.24 1mdk n ALA 92 Ca 0.00 -1.11 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1mdk n ALA 92 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.37 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 14.64 -0.07 0.13 0.00 2.85 -1.26 -4.95 115.26 126.60 1mdk n ASN 93 Ca 0.52 -2.59 0.02 0.00 -0.11 0.00 0.00 54.58 52.42 1mdk n ASN 93 Cb 0.35 -0.59 0.39 0.00 1.24 0.00 0.00 39.78 41.17 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 4.53 0.20 0.00 1.20 -0.00 -1.98 -2.01 116.57 118.50 1mdk h LYS 94 Ca 0.13 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.65 60.66 1mdk h LYS 94 Cb 0.89 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.08 1mdk h LYS 94 CO 0.43 0.37 -0.34 0.93 -0.00 0.00 0.00 179.45 180.84 1mdk h GLU 95 N 0.19 0.00 -0.12 0.07 3.07 -1.99 -2.34 114.58 113.45 1mdk h GLU 95 Ca 0.04 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1mdk h GLU 95 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1mdk h GLU 95 CO 0.03 0.34 -0.35 -0.22 -1.40 0.00 0.00 179.01 177.41 1mdk h LYS 96 N 0.00 0.24 -0.93 2.33 3.64 -1.78 -2.43 116.57 117.64 1mdk h LYS 96 Ca -0.00 -0.10 0.22 0.00 -1.27 0.00 0.00 60.65 59.49 1mdk h LYS 96 Cb 0.61 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1mdk h LYS 96 CO 0.04 0.56 0.62 -0.07 -2.27 0.00 0.00 179.45 178.34 1mdk h LEU 97 N 0.21 0.40 0.41 5.20 3.38 -1.37 0.28 115.31 123.82 1mdk h LEU 97 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1mdk h LEU 97 Cb 0.72 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1mdk h LEU 97 CO 0.05 0.14 -0.20 -0.08 0.09 0.00 0.00 178.44 178.45 1mdk h GLU 98 N 0.39 -0.53 -0.95 1.13 4.81 -1.54 -1.31 114.58 116.58 1mdk h GLU 98 Ca 0.49 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.78 1mdk h GLU 98 Cb 1.26 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 1mdk h GLU 98 CO -0.19 -0.22 0.63 0.00 -0.73 0.00 0.00 179.01 178.50 1mdk h ALA 99 N -0.63 1.23 -0.28 2.92 0.00 -1.29 -1.33 119.26 119.88 1mdk h ALA 99 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 99 Cb 0.55 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1mdk h ALA 99 CO 0.09 0.56 -0.04 1.15 0.00 0.00 0.00 179.25 181.01 1mdk h THR 100 N 1.26 1.27 0.19 0.00 2.02 -0.51 -1.68 112.91 115.46 1mdk h THR 100 Ca 0.36 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1mdk h THR 100 Cb -0.09 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1mdk h THR 100 CO -0.09 0.33 -0.09 0.40 0.37 0.00 0.00 175.52 176.43 1mdk h ILE 101 N 0.28 0.84 0.00 3.11 2.04 -0.96 -1.29 117.51 121.53 1mdk h ILE 101 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1mdk h ILE 101 Cb 0.50 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1mdk h ILE 101 CO 0.02 0.03 0.00 -1.13 0.00 0.00 0.00 178.15 177.07 1mdk h ASN 102 N -0.32 0.00 0.19 1.72 -1.24 -1.23 -0.92 115.58 113.78 1mdk h ASN 102 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1mdk h ASN 102 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1mdk h ASN 102 CO 0.04 0.00 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.01 1mdk h GLU 103 N 0.00 -0.24 -0.68 6.67 4.57 -0.25 -3.33 114.58 121.31 1mdk h GLU 103 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1mdk h GLU 103 Cb 0.09 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1mdk h GLU 103 CO 0.00 -0.12 0.00 1.28 -1.18 0.00 0.00 179.01 178.99 1mdk n LEU 104 N -4.94 4.11 0.00 1.64 4.77 -1.05 -5.11 117.00 116.42 1mdk n LEU 104 Ca -0.04 -2.08 0.03 0.00 -0.03 0.00 0.00 56.01 53.90 1mdk n LEU 104 Cb 0.12 -0.59 0.21 0.00 -2.33 0.00 0.00 43.42 40.83 1mdk n LEU 104 CO 0.09 0.54 0.44 0.55 -1.33 0.00 0.00 177.39 177.68