#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 3.19 -0.22 2.03 1.01 -1.26 -3.57 120.40 121.58 1mdk s VAL 2 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1mdk s VAL 2 Cb 0.00 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1mdk s VAL 2 CO 0.00 -0.10 0.49 -0.75 0.00 0.00 0.00 175.10 174.73 1mdk s LYS 3 N -4.60 0.42 0.06 2.72 2.20 -0.87 -4.98 119.74 114.68 1mdk s LYS 3 Ca 0.54 1.10 -0.20 0.00 -0.36 0.00 0.00 55.97 57.05 1mdk s LYS 3 Cb -0.10 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.53 1mdk s LYS 3 CO 0.37 -0.22 0.58 -1.14 -0.36 0.00 0.00 175.35 174.58 1mdk s GLN 4 N 2.41 4.24 -0.38 4.03 0.74 -1.26 -1.71 119.66 127.72 1mdk s GLN 4 Ca -0.04 0.75 -0.08 0.00 0.05 0.00 0.00 55.36 56.04 1mdk s GLN 4 Cb -0.11 -3.26 0.06 0.00 1.10 0.00 0.00 33.01 30.80 1mdk s GLN 4 CO -0.15 0.58 0.19 0.42 -0.55 0.00 0.00 175.29 175.79 1mdk s ILE 5 N -0.93 4.03 -1.63 -2.34 -1.09 -0.43 -4.91 121.20 113.90 1mdk s ILE 5 Ca 0.30 -1.29 0.22 0.00 -2.23 0.00 0.00 60.65 57.65 1mdk s ILE 5 Cb -0.19 -3.40 -0.10 0.00 -1.58 0.00 0.00 42.46 37.19 1mdk s ILE 5 CO 0.19 -0.37 1.01 -0.62 -1.23 0.00 0.00 174.94 173.92 1mdk n GLU 6 N 4.86 0.76 -3.69 2.79 1.02 -1.26 -4.33 120.64 120.80 1mdk n GLU 6 Ca -0.11 -0.61 -0.14 0.00 -0.02 0.00 0.00 57.16 56.28 1mdk n GLU 6 Cb 0.44 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.67 -0.30 0.55 1.62 1.04 -1.26 -4.73 113.70 107.96 1mdk s SER 7 Ca 0.14 0.14 0.30 0.00 0.48 0.00 0.00 55.95 57.01 1mdk s SER 7 Cb 0.17 0.39 1.46 0.00 0.10 0.00 0.00 66.02 68.15 1mdk s SER 7 CO 0.68 -0.57 1.91 0.50 0.98 0.00 0.00 173.24 176.75 1mdk h LYS 8 N 3.36 0.00 -0.49 4.02 3.64 -1.93 -0.40 116.57 124.78 1mdk h LYS 8 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1mdk h LYS 8 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1mdk h LYS 8 CO 0.42 0.00 0.32 1.15 -2.27 0.00 0.00 179.45 179.07 1mdk h THR 9 N 0.00 1.13 0.00 1.00 2.02 -2.01 -2.00 112.91 113.05 1mdk h THR 9 Ca 0.33 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 1mdk h THR 9 Cb 1.42 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1mdk h THR 9 CO -0.00 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.74 1mdk h ALA 10 N 1.17 1.12 0.06 6.16 0.00 -1.47 -2.88 119.26 123.43 1mdk h ALA 10 Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mdk h ALA 10 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mdk h ALA 10 CO -0.04 0.35 -0.03 0.35 0.00 0.00 0.00 179.25 179.88 1mdk h PHE 11 N 0.00 -0.09 -0.90 0.00 3.57 -1.19 0.18 116.94 118.51 1mdk h PHE 11 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1mdk h PHE 11 Cb 0.69 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1mdk h PHE 11 CO 0.00 -0.05 0.55 1.96 -2.23 0.00 0.00 178.31 178.54 1mdk h GLN 12 N -0.09 0.90 -0.88 1.11 4.20 -1.63 -0.65 115.11 118.07 1mdk h GLN 12 Ca -0.01 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1mdk h GLN 12 Cb 0.07 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 1mdk h GLN 12 CO 0.01 0.60 0.58 0.93 -0.67 0.00 0.00 178.83 180.28 1mdk h GLU 13 N 0.93 1.07 -0.38 1.46 4.39 -1.43 -0.59 114.58 120.03 1mdk h GLU 13 Ca 0.42 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 1mdk h GLU 13 Cb 0.33 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1mdk h GLU 13 CO -0.23 0.71 0.23 0.00 -1.16 0.00 0.00 179.01 178.56 1mdk h ALA 14 N 1.49 0.48 -0.36 3.43 0.00 0.96 0.12 119.26 125.38 1mdk h ALA 14 Ca 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1mdk h ALA 14 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mdk h ALA 14 CO -0.10 -0.03 0.10 -0.07 0.00 0.00 0.00 179.25 179.15 1mdk h LEU 15 N 0.49 0.54 -0.73 0.00 3.38 -1.10 0.26 115.31 118.15 1mdk h LEU 15 Ca 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1mdk h LEU 15 Cb 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1mdk h LEU 15 CO -0.03 0.62 0.23 -0.78 0.09 0.00 0.00 178.44 178.58 1mdk h ASP 16 N 0.43 1.06 1.38 -0.43 3.58 -0.87 -2.06 116.42 119.52 1mdk h ASP 16 Ca 0.11 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1mdk h ASP 16 Cb 0.28 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1mdk h ASP 16 CO -0.00 0.98 0.00 0.00 -2.88 0.00 0.00 179.24 177.34 1mdk n ALA 17 N -2.44 2.28 0.56 -0.78 0.00 0.41 -3.15 120.51 117.39 1mdk n ALA 17 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1mdk n ALA 17 Cb 0.22 -1.47 0.31 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.74 1.70 -0.51 0.00 0.00 0.91 -4.92 120.51 115.96 1mdk n ALA 18 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mdk n ALA 18 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.85 0.00 0.00 0.00 -1.19 -3.05 105.19 102.61 1mdk n GLY 19 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 10.62 0.14 -4.73 1.61 8.00 -1.26 -4.42 116.55 126.51 1mdk n ASP 20 Ca 0.00 -1.04 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 1mdk n ASP 20 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.04 1.18 0.91 -1.24 1.02 -1.17 -4.76 119.74 115.64 1mdk s LYS 21 Ca 0.00 0.68 -0.11 0.00 0.02 0.00 0.00 55.97 56.56 1mdk s LYS 21 Cb 0.00 -1.81 0.14 0.00 -0.52 0.00 0.00 37.83 35.64 1mdk s LYS 21 CO 0.00 -2.26 1.12 -1.17 -0.92 0.00 0.00 175.35 172.12 1mdk s LEU 22 N -6.19 2.62 -0.23 3.17 0.20 -1.26 -4.70 118.68 112.29 1mdk s LEU 22 Ca 0.63 2.00 -0.03 0.00 0.69 0.00 0.00 54.13 57.42 1mdk s LEU 22 Cb -0.17 -4.39 0.10 0.00 -0.43 0.00 0.00 46.19 41.30 1mdk s LEU 22 CO 0.56 -2.99 0.20 -0.69 -0.29 0.00 0.00 176.35 173.15 1mdk s VAL 23 N -2.70 -0.27 -0.16 1.68 1.01 -0.89 -2.18 120.40 116.89 1mdk s VAL 23 Ca 0.66 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1mdk s VAL 23 Cb -0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1mdk s VAL 23 CO 0.58 -0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.72 1mdk s VAL 24 N 2.27 4.94 -0.07 2.92 1.01 -0.81 -0.85 120.40 129.80 1mdk s VAL 24 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1mdk s VAL 24 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1mdk s VAL 24 CO -0.20 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.65 1mdk s VAL 25 N 0.01 3.73 -0.43 2.92 1.01 -0.18 -1.56 120.40 125.90 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 -2.53 0.10 0.00 0.00 0.00 0.00 36.38 33.83 1mdk s VAL 25 CO 0.01 0.59 0.26 -0.62 0.00 0.00 0.00 175.10 175.33 1mdk s ASP 26 N -0.74 5.49 -1.25 3.32 2.15 -1.04 -2.86 116.67 121.75 1mdk s ASP 26 Ca 0.11 -1.81 -0.15 0.00 0.43 0.00 0.00 52.55 51.14 1mdk s ASP 26 Cb -0.11 -1.93 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 1mdk s ASP 26 CO 0.02 -0.58 1.58 0.49 -0.17 0.00 0.00 175.17 176.51 1mdk n PHE 27 N 4.79 4.71 -4.26 -5.34 3.01 -1.10 -2.16 117.46 117.11 1mdk n PHE 27 Ca -0.07 -3.15 -0.30 0.00 1.01 0.00 0.00 57.45 54.94 1mdk n PHE 27 Cb 0.42 -2.33 -0.10 0.00 -0.01 0.00 0.00 39.48 37.46 1mdk n PHE 27 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mdk s SER 28 N 3.15 4.31 -0.14 4.37 0.01 -1.16 -3.13 113.70 121.10 1mdk s SER 28 Ca 0.46 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1mdk s SER 28 Cb 0.01 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1mdk s SER 28 CO 0.02 0.18 0.47 0.00 0.41 0.00 0.00 173.24 174.33 1mdk s ALA 29 N -1.19 3.50 0.36 1.44 0.00 -1.26 -4.34 121.76 120.27 1mdk s ALA 29 Ca 0.20 -0.27 0.25 0.00 0.00 0.00 0.00 51.96 52.15 1mdk s ALA 29 Cb -0.11 -2.67 1.28 0.00 0.00 0.00 0.00 23.12 21.62 1mdk s ALA 29 CO 0.13 -0.11 2.00 0.00 0.00 0.00 0.00 175.76 177.78 1mdk h THR 30 N 4.82 0.63 0.00 0.00 1.03 -1.99 -2.16 112.91 115.25 1mdk h THR 30 Ca -0.39 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 1mdk h THR 30 Cb 1.17 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1mdk h THR 30 CO 0.75 0.16 -0.57 -2.67 -0.01 0.00 0.00 175.52 173.18 1mdk n TRP 31 N -3.64 0.51 -3.44 0.00 4.27 -1.26 -4.80 117.44 109.07 1mdk n TRP 31 Ca -0.01 0.15 -0.38 0.00 -3.89 0.00 0.00 57.50 53.37 1mdk n TRP 31 Cb 0.29 -0.63 -0.08 0.00 -1.36 0.00 0.00 31.31 29.53 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 7.49 -0.37 -0.26 0.00 0.00 -1.87 -2.84 103.07 105.23 1mdk h GLY 33 Ca -0.37 0.14 0.31 0.00 0.00 0.00 0.00 47.33 47.41 1mdk h GLY 33 CO 0.71 -0.13 0.77 -2.55 0.00 0.00 0.00 176.54 175.34 1mdk h PRO 34 N -0.73 0.15 0.12 4.80 0.11 -1.94 0.89 132.00 135.40 1mdk h PRO 34 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1mdk h PRO 34 Cb 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1mdk h PRO 34 CO 0.06 0.10 -0.06 0.00 -0.21 0.00 0.00 178.00 177.89 1mdk h ALA 35 N 1.51 -0.19 0.00 -0.75 0.00 -1.84 -3.26 119.26 114.72 1mdk h ALA 35 Ca 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1mdk h ALA 35 Cb 1.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1mdk h ALA 35 CO -0.13 -0.18 0.01 -0.22 0.00 0.00 0.00 179.25 178.73 1mdk h LYS 36 N -0.87 0.00 -0.11 0.00 3.64 -1.14 -2.09 116.57 116.00 1mdk h LYS 36 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1mdk h LYS 36 Cb 0.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1mdk h LYS 36 CO 0.03 0.00 0.12 1.98 -2.27 0.00 0.00 179.45 179.31 1mdk h MET 37 N 0.00 0.00 -0.60 1.90 4.05 0.75 0.28 114.93 121.32 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 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 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 -3.86 0.79 0.09 1.77 5.41 -0.79 -4.36 119.36 118.41 1mdk n ILE 38 Ca -0.00 -0.83 0.01 0.00 1.00 0.00 0.00 62.75 62.92 1mdk n ILE 38 Cb 0.22 0.52 0.35 0.00 -0.71 0.00 0.00 39.64 40.02 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 3.86 0.29 0.00 0.38 2.10 -1.09 -2.21 116.57 119.90 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 0.88 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1mdk h LYS 39 CO 0.00 0.45 0.00 -2.30 -2.00 0.00 0.00 179.45 175.60 1mdk n PRO 40 N -4.24 0.08 0.00 0.07 -0.02 -1.26 -2.11 135.00 127.52 1mdk n PRO 40 Ca -0.00 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1mdk n PRO 40 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.26 0.00 -0.18 6.00 3.01 -0.86 -4.07 117.46 120.10 1mdk n PHE 41 Ca 0.02 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.39 1mdk n PHE 41 Cb 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.29 -0.12 1.38 3.57 -1.57 0.19 116.94 119.11 1mdk h PHE 42 Ca 0.00 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1mdk h PHE 42 Cb 0.00 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1mdk h PHE 42 CO 0.00 -0.43 -0.27 1.25 -2.23 0.00 0.00 178.31 176.63 1mdk h HIS 43 N -0.26 0.23 -0.66 0.41 2.76 -1.66 -2.85 115.15 113.12 1mdk h HIS 43 Ca 0.16 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1mdk h HIS 43 Cb 0.57 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mdk h HIS 43 CO -0.68 0.47 0.17 0.77 -1.30 0.00 0.00 177.93 177.36 1mdk h SER 44 N 0.19 0.97 0.00 3.26 0.02 -0.73 -1.93 113.55 115.32 1mdk h SER 44 Ca 0.03 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1mdk h SER 44 Cb 0.59 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1mdk h SER 44 CO 0.04 0.93 0.27 0.18 -1.14 0.00 0.00 176.83 177.12 1mdk n LEU 45 N -4.25 0.18 0.00 5.07 4.77 -0.04 -0.82 117.00 121.93 1mdk n LEU 45 Ca 0.05 0.43 0.10 0.00 -0.03 0.00 0.00 56.01 56.56 1mdk n LEU 45 Cb 0.24 -0.39 0.52 0.00 -2.33 0.00 0.00 43.42 41.45 1mdk n LEU 45 CO 0.41 -0.49 1.16 0.28 -1.33 0.00 0.00 177.39 177.42 1mdk h SER 46 N 0.00 0.31 0.45 -1.43 0.02 -1.50 0.51 113.55 111.91 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 0.55 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1mdk h SER 46 CO 0.00 0.20 -1.49 -0.62 -1.14 0.00 0.00 176.83 173.78 1mdk n GLU 47 N -4.48 0.60 0.07 3.45 1.02 0.00 -3.75 120.64 117.56 1mdk n GLU 47 Ca 0.06 -0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1mdk n GLU 47 Cb 0.25 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.40 0.61 -3.23 3.49 4.81 -0.70 -4.48 118.16 116.26 1mdk n LYS 48 Ca -0.02 0.14 -0.24 0.00 -0.87 0.00 0.00 58.31 57.32 1mdk n LYS 48 Cb 0.55 -1.80 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.73 0.87 0.55 5.64 4.01 0.17 -4.90 117.16 120.78 1mdk n TYR 49 Ca -0.04 -3.75 0.05 0.00 -0.16 0.00 0.00 57.90 54.00 1mdk n TYR 49 Cb 0.66 -0.42 0.29 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.07 0.00 -0.75 7.72 3.41 -1.25 -1.27 113.62 122.55 1mdk n SER 50 Ca 0.24 0.05 0.13 0.00 -0.26 0.00 0.00 58.87 59.03 1mdk n SER 50 Cb 0.51 -0.24 0.29 0.00 -0.26 0.00 0.00 64.21 64.51 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 2.34 -4.47 4.04 2.85 -1.26 -4.62 115.26 112.90 1mdk n ASN 51 Ca 0.06 -1.78 -0.29 0.00 -0.11 0.00 0.00 54.58 52.46 1mdk n ASN 51 Cb 0.08 -0.01 -0.11 0.00 1.24 0.00 0.00 39.78 40.98 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 -1.98 2.72 -0.22 3.44 1.01 -0.40 -4.58 120.40 120.39 1mdk s VAL 52 Ca 0.33 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 1mdk s VAL 52 Cb 0.20 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1mdk s VAL 52 CO 0.31 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.96 1mdk s ILE 53 N -1.26 5.17 -0.13 2.22 -1.09 -0.93 -4.33 121.20 120.86 1mdk s ILE 53 Ca 0.18 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 1mdk s ILE 53 Cb -0.10 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1mdk s ILE 53 CO 0.10 0.38 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.72 1mdk s PHE 54 N 0.84 2.85 0.46 3.97 0.08 -1.23 -1.93 117.98 123.02 1mdk s PHE 54 Ca 0.07 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1mdk s PHE 54 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1mdk s PHE 54 CO 0.02 -0.13 0.17 -0.51 -0.10 0.00 0.00 175.22 174.67 1mdk s LEU 55 N 0.25 2.81 -0.06 -0.37 1.02 -0.60 -2.06 118.68 119.66 1mdk s LEU 55 Ca -0.08 -1.28 -0.07 0.00 0.02 0.00 0.00 54.13 52.72 1mdk s LEU 55 Cb -0.15 -1.16 0.02 0.00 0.02 0.00 0.00 46.19 44.92 1mdk s LEU 55 CO 0.05 -0.72 0.19 -0.70 0.02 0.00 0.00 176.35 175.18 1mdk s GLU 56 N -3.96 0.25 -0.00 1.70 2.12 -0.69 -2.49 118.70 115.63 1mdk s GLU 56 Ca 0.31 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1mdk s GLU 56 Cb 0.03 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.54 1mdk s GLU 56 CO 0.17 -0.04 -0.04 0.08 -0.54 0.00 0.00 175.26 174.90 1mdk s VAL 57 N -0.06 0.29 -0.44 3.70 1.01 -0.92 -1.31 120.40 122.67 1mdk s VAL 57 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1mdk s VAL 57 Cb -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.15 1mdk s VAL 57 CO 0.00 0.09 0.36 -0.62 0.00 0.00 0.00 175.10 174.93 1mdk s ASP 58 N -0.03 6.13 0.00 3.32 2.15 -1.26 -2.99 116.67 124.00 1mdk s ASP 58 Ca 0.01 -1.04 0.12 0.00 0.43 0.00 0.00 52.55 52.07 1mdk s ASP 58 Cb -0.02 -2.18 0.56 0.00 -0.30 0.00 0.00 42.92 40.98 1mdk s ASP 58 CO -0.00 -0.55 1.36 1.33 -0.17 0.00 0.00 175.17 177.14 1mdk n VAL 59 N 5.21 0.99 -0.10 1.11 0.24 -1.26 -0.60 118.33 123.92 1mdk n VAL 59 Ca -0.11 0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.31 1mdk n VAL 59 Cb 0.46 -1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 31.69 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 -1.43 2.27 0.03 -1.34 9.92 -1.26 -4.28 116.55 120.46 1mdk n ASP 60 Ca 0.04 -0.09 0.11 0.00 -0.53 0.00 0.00 54.79 54.32 1mdk n ASP 60 Cb 0.13 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.39 1mdk n ASP 60 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mdk n ASP 61 N -3.02 0.47 -2.54 -2.24 2.03 -1.20 -4.33 116.55 105.73 1mdk n ASP 61 Ca -0.34 -0.04 -0.27 0.00 0.52 0.00 0.00 54.79 54.66 1mdk n ASP 61 Cb 0.89 1.16 -0.00 0.00 -0.72 0.00 0.00 41.12 42.45 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdk n ALA 62 N -2.06 4.97 0.18 -1.67 0.00 0.23 -4.84 120.51 117.33 1mdk n ALA 62 Ca -0.01 -4.34 0.09 0.00 0.00 0.00 0.00 53.44 49.18 1mdk n ALA 62 Cb 0.51 -0.57 0.47 0.00 0.00 0.00 0.00 19.45 19.86 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 2.64 0.00 -0.34 0.00 4.20 -1.75 -0.35 115.11 119.52 1mdk h GLN 63 Ca 0.27 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.81 1mdk h GLN 63 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1mdk h GLN 63 CO 0.84 0.00 -0.44 0.38 -0.67 0.00 0.00 178.83 178.94 1mdk h ASP 64 N 0.00 0.98 -0.03 1.46 3.04 -1.91 0.23 116.42 120.18 1mdk h ASP 64 Ca 0.00 -0.49 -0.07 0.00 -3.24 0.00 0.00 57.03 53.23 1mdk h ASP 64 Cb 0.44 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1mdk h ASP 64 CO 0.00 1.28 -0.24 0.58 -2.04 0.00 0.00 179.24 178.82 1mdk h VAL 65 N 0.70 1.48 -0.09 4.15 2.07 -1.43 -2.81 116.25 120.32 1mdk h VAL 65 Ca 0.04 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 1mdk h VAL 65 Cb 1.04 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1mdk h VAL 65 CO 0.10 0.49 -0.12 0.00 0.02 0.00 0.00 177.57 178.06 1mdk h ALA 66 N 0.36 1.62 0.21 1.67 0.00 -1.55 -1.41 119.26 120.15 1mdk h ALA 66 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1mdk h ALA 66 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1mdk h ALA 66 CO 0.05 0.28 -0.10 0.77 0.00 0.00 0.00 179.25 180.25 1mdk h SER 67 N 0.14 -0.23 -0.44 0.00 0.02 -0.49 1.18 113.55 113.72 1mdk h SER 67 Ca 0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1mdk h SER 67 Cb 0.31 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1mdk h SER 67 CO 0.02 -0.00 0.14 -0.08 -1.14 0.00 0.00 176.83 175.77 1mdk h GLU 68 N -0.47 0.75 -0.01 3.45 4.22 -1.25 -1.30 114.58 119.97 1mdk h GLU 68 Ca -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1mdk h GLU 68 Cb 0.35 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1mdk h GLU 68 CO 0.05 0.66 -0.10 0.00 -2.18 0.00 0.00 179.01 177.44 1mdk n ALA 69 N -2.46 2.77 -4.10 2.92 0.00 -0.55 -4.94 120.51 114.15 1mdk n ALA 69 Ca 0.04 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 1mdk n ALA 69 Cb 0.20 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.50 -1.76 -2.61 0.00 4.71 0.40 -4.86 120.64 116.02 1mdk n GLU 70 Ca 0.16 0.24 -0.42 0.00 -0.01 0.00 0.00 57.16 57.13 1mdk n GLU 70 Cb 0.30 -3.84 -0.03 0.00 -1.01 0.00 0.00 31.44 26.86 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1mdk s VAL 71 N -4.04 4.58 0.00 2.62 1.01 -0.77 -4.90 120.40 118.90 1mdk s VAL 71 Ca 0.10 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1mdk s VAL 71 Cb -0.05 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1mdk s VAL 71 CO 0.94 0.14 0.65 0.29 0.00 0.00 0.00 175.10 177.12 1mdk n LYS 72 N 3.94 0.95 -3.71 2.72 5.02 -1.26 -4.96 118.16 120.86 1mdk n LYS 72 Ca 0.07 -0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 55.38 1mdk n LYS 72 Cb 0.49 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.42 -1.14 0.10 7.82 0.00 -1.26 -5.17 121.76 121.70 1mdk s ALA 73 Ca 0.00 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.41 1mdk s ALA 73 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1mdk s ALA 73 CO 0.00 -0.23 -0.22 0.95 0.00 0.00 0.00 175.76 176.26 1mdk s THR 74 N 0.48 1.84 0.35 0.00 -4.23 -1.26 -3.78 115.64 109.03 1mdk s THR 74 Ca -0.02 -1.57 -0.25 0.00 -1.18 0.00 0.00 61.69 58.66 1mdk s THR 74 Cb -0.04 -1.65 -0.10 0.00 1.34 0.00 0.00 72.50 72.05 1mdk s THR 74 CO -0.02 -0.01 0.99 -2.16 -0.54 0.00 0.00 174.62 172.88 1mdk s PRO 75 N -1.90 4.44 -0.26 3.99 0.04 -1.26 -4.82 135.00 135.23 1mdk s PRO 75 Ca 0.08 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1mdk s PRO 75 Cb -0.10 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1mdk s PRO 75 CO 0.04 0.13 -0.04 0.99 0.04 0.00 0.00 177.00 178.16 1mdk s THR 76 N -1.62 3.03 -0.20 1.26 2.01 -1.18 -3.26 115.64 115.69 1mdk s THR 76 Ca 0.53 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 1mdk s THR 76 Cb -0.20 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1mdk s THR 76 CO 0.26 0.16 0.58 -0.36 -0.69 0.00 0.00 174.62 174.57 1mdk s PHE 77 N 1.34 3.38 -0.04 4.92 0.08 -0.61 -2.70 117.98 124.35 1mdk s PHE 77 Ca 0.00 0.87 0.06 0.00 0.12 0.00 0.00 56.93 57.98 1mdk s PHE 77 Cb -0.17 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.53 1mdk s PHE 77 CO -0.03 -0.14 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.07 1mdk s GLN 78 N 1.76 2.21 -0.19 0.44 -0.21 -1.13 -0.41 119.66 122.12 1mdk s GLN 78 Ca 0.27 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.79 1mdk s GLN 78 Cb -0.16 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 1mdk s GLN 78 CO 0.10 0.38 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.56 1mdk s PHE 79 N -0.22 2.98 0.18 0.91 0.40 -0.14 -1.01 117.98 121.08 1mdk s PHE 79 Ca -0.00 -0.63 0.09 0.00 -0.60 0.00 0.00 56.93 55.79 1mdk s PHE 79 Cb -0.12 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1mdk s PHE 79 CO 0.02 -0.32 -0.19 -0.06 0.70 0.00 0.00 175.22 175.37 1mdk s PHE 80 N 1.02 1.92 -0.23 0.36 0.08 -0.03 -1.99 117.98 119.12 1mdk s PHE 80 Ca 0.01 -0.45 -0.10 0.00 0.12 0.00 0.00 56.93 56.51 1mdk s PHE 80 Cb -0.15 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.45 1mdk s PHE 80 CO 0.01 0.38 0.53 0.21 -0.10 0.00 0.00 175.22 176.25 1mdk s LYS 81 N -2.86 0.48 -1.79 0.44 2.20 0.14 -2.09 119.74 116.26 1mdk s LYS 81 Ca 0.18 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1mdk s LYS 81 Cb -0.06 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1mdk s LYS 81 CO 0.08 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.50 1mdk n LYS 82 N 4.92 -1.63 -0.80 4.03 5.02 -1.26 -0.13 118.16 128.31 1mdk n LYS 82 Ca -0.15 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1mdk n LYS 82 Cb 0.53 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 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 -0.68 0.70 3.52 0.72 0.00 -1.26 -4.98 105.19 103.20 1mdk n GLY 83 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 2.07 0.17 1.61 -0.21 0.81 -5.11 119.66 118.80 1mdk s GLN 84 Ca 0.00 -1.02 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 1mdk s GLN 84 Cb 0.00 -2.24 -0.08 0.00 1.00 0.00 0.00 33.01 31.69 1mdk s GLN 84 CO 0.00 0.52 0.73 0.21 -2.12 0.00 0.00 175.29 174.63 1mdk s LYS 85 N -1.88 4.42 0.00 2.91 2.20 -1.26 0.25 119.74 126.38 1mdk s LYS 85 Ca 0.18 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1mdk s LYS 85 Cb -0.11 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1mdk s LYS 85 CO 0.10 0.53 0.00 1.33 -0.36 0.00 0.00 175.35 176.95 1mdk n VAL 86 N 1.37 0.00 -3.69 4.02 0.24 -0.84 -4.92 118.33 114.51 1mdk n VAL 86 Ca -0.05 -0.04 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 1mdk n VAL 86 Cb 0.50 0.40 -0.00 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.35 -0.21 7.63 0.00 -1.24 -5.03 107.32 107.04 1mdk s GLY 87 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 1mdk s GLY 87 CO 0.00 1.06 1.18 -1.83 0.00 0.00 0.00 173.10 173.51 1mdk s GLU 88 N -2.38 0.33 -0.29 2.90 -1.05 -1.26 -0.96 118.70 115.99 1mdk s GLU 88 Ca 0.17 0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 54.85 1mdk s GLU 88 Cb 0.04 0.15 0.14 0.00 -0.44 0.00 0.00 34.13 34.02 1mdk s GLU 88 CO -0.03 -0.11 0.97 -0.59 0.95 0.00 0.00 175.26 176.45 1mdk s PHE 89 N -1.34 -0.58 0.00 4.83 -0.12 0.45 -5.00 117.98 116.23 1mdk s PHE 89 Ca 0.05 1.17 0.00 0.00 -0.05 0.00 0.00 56.93 58.10 1mdk s PHE 89 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.04 -0.28 0.00 -1.13 -0.05 0.00 0.00 175.22 173.72 1mdk n SER 90 N 3.58 0.13 -0.06 1.98 3.41 -1.26 -1.57 113.62 119.83 1mdk n SER 90 Ca -0.18 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 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 -2.59 3.54 5.00 0.00 -1.20 -4.72 105.19 110.22 1mdk n GLY 91 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 0.11 0.63 -3.32 4.61 0.00 -1.26 -4.79 120.51 116.49 1mdk n ALA 92 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 53.44 52.25 1mdk n ALA 92 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 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 15.20 -0.51 -0.18 0.00 2.85 -1.26 -4.99 115.26 126.37 1mdk n ASN 93 Ca 0.45 -2.47 -0.09 0.00 -0.11 0.00 0.00 54.58 52.37 1mdk n ASN 93 Cb 0.42 -0.45 0.01 0.00 1.24 0.00 0.00 39.78 41.01 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 5.25 0.84 0.00 1.20 2.10 -1.97 -2.70 116.57 121.28 1mdk h LYS 94 Ca 0.22 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1mdk h LYS 94 Cb 0.91 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1mdk h LYS 94 CO 0.37 0.81 -0.12 0.93 -2.00 0.00 0.00 179.45 179.44 1mdk h GLU 95 N 0.73 0.00 -0.22 0.07 5.08 -2.01 -2.20 114.58 116.03 1mdk h GLU 95 Ca 0.16 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1mdk h GLU 95 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1mdk h GLU 95 CO 0.00 0.12 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.60 1mdk h LYS 96 N 0.00 0.46 -0.89 2.33 3.64 -1.90 -2.58 116.57 117.63 1mdk h LYS 96 Ca -0.00 -0.19 0.20 0.00 -1.27 0.00 0.00 60.65 59.39 1mdk h LYS 96 Cb 0.33 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 1mdk h LYS 96 CO 0.02 0.72 0.59 -0.07 -2.27 0.00 0.00 179.45 178.44 1mdk h LEU 97 N 0.39 0.37 0.54 5.20 3.38 -1.40 0.17 115.31 123.96 1mdk h LEU 97 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.74 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1mdk h LEU 97 CO 0.06 0.15 -0.26 -0.08 0.09 0.00 0.00 178.44 178.40 1mdk h GLU 98 N 0.37 -0.70 -0.90 1.13 4.22 -1.59 -0.10 114.58 117.01 1mdk h GLU 98 Ca 0.46 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.97 1mdk h GLU 98 Cb 1.19 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1mdk h GLU 98 CO -0.16 -0.39 0.58 0.00 -2.18 0.00 0.00 179.01 176.86 1mdk h ALA 99 N -0.81 1.17 -0.27 2.92 0.00 -1.35 -0.83 119.26 120.10 1mdk h ALA 99 Ca -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 99 Cb 0.63 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mdk h ALA 99 CO 0.12 0.46 -0.04 1.15 0.00 0.00 0.00 179.25 180.94 1mdk h THR 100 N 1.15 1.27 0.29 0.00 2.02 -0.70 -1.54 112.91 115.39 1mdk h THR 100 Ca 0.35 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1mdk h THR 100 Cb -0.03 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1mdk h THR 100 CO -0.11 0.32 -0.14 0.40 0.37 0.00 0.00 175.52 176.37 1mdk h ILE 101 N 0.26 0.73 0.00 3.11 2.04 -0.68 -1.00 117.51 121.96 1mdk h ILE 101 Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1mdk h ILE 101 Cb 0.49 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1mdk h ILE 101 CO 0.02 0.01 0.00 -1.13 0.00 0.00 0.00 178.15 177.05 1mdk h ASN 102 N -0.41 0.00 0.13 1.72 -0.73 -1.13 0.14 115.58 115.29 1mdk h ASN 102 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1mdk h ASN 102 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1mdk h ASN 102 CO 0.06 0.00 -0.06 -0.08 -0.37 0.00 0.00 177.43 176.98 1mdk h GLU 103 N 0.00 -0.16 -0.55 6.67 4.57 -0.12 -3.33 114.58 121.66 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 0.03 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1mdk h GLU 103 CO 0.00 0.21 0.00 1.28 -1.18 0.00 0.00 179.01 179.32 1mdk n LEU 104 N -4.86 2.99 0.00 1.64 4.77 -1.00 -5.11 117.00 115.44 1mdk n LEU 104 Ca -0.06 -1.50 0.03 0.00 -0.03 0.00 0.00 56.01 54.45 1mdk n LEU 104 Cb 0.22 -0.38 0.18 0.00 -2.33 0.00 0.00 43.42 41.11 1mdk n LEU 104 CO 0.19 0.70 0.42 0.55 -1.33 0.00 0.00 177.39 177.92