#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 4.28 -0.23 2.03 1.01 -1.26 -2.05 120.40 124.18 1mdk s VAL 2 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1mdk s VAL 2 Cb 0.00 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.91 1mdk s VAL 2 CO 0.00 -0.37 0.51 -0.75 0.00 0.00 0.00 175.10 174.49 1mdk s LYS 3 N -4.46 0.44 -0.09 2.72 2.47 -0.40 -4.92 119.74 115.49 1mdk s LYS 3 Ca 0.46 1.15 -0.18 0.00 -1.56 0.00 0.00 55.97 55.84 1mdk s LYS 3 Cb -0.10 0.45 -0.05 0.00 -1.46 0.00 0.00 37.83 36.67 1mdk s LYS 3 CO 0.37 -0.22 0.48 -1.14 0.16 0.00 0.00 175.35 175.00 1mdk s GLN 4 N 2.50 4.29 -0.37 4.03 0.74 -1.26 -0.75 119.66 128.83 1mdk s GLN 4 Ca -0.04 0.47 -0.09 0.00 0.05 0.00 0.00 55.36 55.75 1mdk s GLN 4 Cb -0.11 -3.40 0.04 0.00 1.10 0.00 0.00 33.01 30.64 1mdk s GLN 4 CO -0.15 0.24 0.18 0.42 -0.55 0.00 0.00 175.29 175.43 1mdk s ILE 5 N 0.33 4.16 -1.86 -2.34 -1.09 -0.62 -4.92 121.20 114.86 1mdk s ILE 5 Ca 0.26 -1.10 0.22 0.00 -2.23 0.00 0.00 60.65 57.80 1mdk s ILE 5 Cb -0.16 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1mdk s ILE 5 CO 0.11 -0.27 1.04 -0.62 -1.23 0.00 0.00 174.94 173.96 1mdk n GLU 6 N 4.90 1.17 -3.70 2.79 1.02 -1.26 -4.43 120.64 121.13 1mdk n GLU 6 Ca -0.12 -0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 56.02 1mdk n GLU 6 Cb 0.45 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.46 -0.26 0.50 1.62 1.04 -1.26 -4.72 113.70 108.16 1mdk s SER 7 Ca 0.17 0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.90 1mdk s SER 7 Cb 0.17 0.39 1.34 0.00 0.10 0.00 0.00 66.02 68.02 1mdk s SER 7 CO 0.58 -0.59 1.91 0.50 0.98 0.00 0.00 173.24 176.62 1mdk h LYS 8 N 3.30 0.12 -0.57 4.02 3.64 -1.93 -0.21 116.57 124.95 1mdk h LYS 8 Ca -0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1mdk h LYS 8 Cb 1.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1mdk h LYS 8 CO 0.43 0.08 0.33 1.15 -2.27 0.00 0.00 179.45 179.17 1mdk h THR 9 N 0.13 1.18 0.00 1.00 2.02 -2.01 -2.09 112.91 113.14 1mdk h THR 9 Ca 0.39 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1mdk h THR 9 Cb 1.36 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1mdk h THR 9 CO -0.05 0.19 -0.19 0.00 0.37 0.00 0.00 175.52 175.83 1mdk h ALA 10 N 1.16 1.12 0.49 6.16 0.00 -1.44 -2.96 119.26 123.79 1mdk h ALA 10 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1mdk h ALA 10 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1mdk h ALA 10 CO -0.04 0.24 -0.26 0.35 0.00 0.00 0.00 179.25 179.55 1mdk h PHE 11 N 0.00 -0.67 -0.63 0.00 3.57 -1.16 0.21 116.94 118.26 1mdk h PHE 11 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1mdk h PHE 11 Cb 0.58 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 1mdk h PHE 11 CO 0.00 -0.40 0.35 1.96 -2.23 0.00 0.00 178.31 177.99 1mdk h GLN 12 N -0.68 0.64 -0.68 1.11 1.08 -1.60 -1.29 115.11 113.69 1mdk h GLN 12 Ca -0.07 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1mdk h GLN 12 Cb 0.53 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1mdk h GLN 12 CO 0.09 0.42 0.45 0.93 -0.95 0.00 0.00 178.83 179.78 1mdk h GLU 13 N 0.66 0.73 -0.26 1.46 4.39 -1.42 -1.36 114.58 118.78 1mdk h GLU 13 Ca 0.27 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1mdk h GLU 13 Cb 0.14 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1mdk h GLU 13 CO -0.16 0.48 0.16 0.00 -1.16 0.00 0.00 179.01 178.33 1mdk h ALA 14 N 1.62 0.33 -0.43 3.43 0.00 0.63 0.23 119.26 125.07 1mdk h ALA 14 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1mdk h ALA 14 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1mdk h ALA 14 CO -0.09 -0.18 0.15 -0.07 0.00 0.00 0.00 179.25 179.07 1mdk h LEU 15 N 0.33 0.62 -0.99 0.00 3.38 -1.20 0.39 115.31 117.83 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 -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1mdk h LEU 15 CO -0.02 0.64 0.06 -0.78 0.09 0.00 0.00 178.44 178.44 1mdk h ASP 16 N 0.56 0.75 1.72 -0.43 3.58 -0.98 -2.00 116.42 119.62 1mdk h ASP 16 Ca 0.14 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1mdk h ASP 16 Cb 0.23 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1mdk h ASP 16 CO -0.01 0.78 -0.07 0.00 -2.88 0.00 0.00 179.24 177.07 1mdk h ALA 17 N 1.31 0.96 0.00 -0.78 0.00 -0.16 -3.15 119.26 117.45 1mdk h ALA 17 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mdk h ALA 17 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mdk h ALA 17 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1mdk n ALA 18 N -1.98 1.76 -0.41 0.00 0.00 0.13 -4.93 120.51 115.08 1mdk n ALA 18 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mdk n ALA 18 Cb 0.49 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.13 1.91 0.00 0.00 0.00 -1.19 -3.19 105.19 102.59 1mdk n GLY 19 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mdk n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mdk n ASP 20 N 10.38 0.15 -4.69 1.61 -0.08 -1.26 -4.51 116.55 118.15 1mdk n ASP 20 Ca 0.00 -1.05 -0.29 0.00 -1.51 0.00 0.00 54.79 51.95 1mdk n ASP 20 Cb 0.00 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.63 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1mdk s LYS 21 N -0.05 0.53 0.95 -0.67 1.02 -1.19 -4.72 119.74 115.62 1mdk s LYS 21 Ca 0.00 0.41 -0.11 0.00 0.02 0.00 0.00 55.97 56.28 1mdk s LYS 21 Cb 0.00 -1.76 0.16 0.00 -0.52 0.00 0.00 37.83 35.71 1mdk s LYS 21 CO 0.00 -2.64 1.09 -1.17 -0.92 0.00 0.00 175.35 171.72 1mdk s LEU 22 N -6.36 2.17 -0.22 3.17 0.20 -1.26 -4.63 118.68 111.75 1mdk s LEU 22 Ca 0.65 1.73 -0.03 0.00 0.69 0.00 0.00 54.13 57.17 1mdk s LEU 22 Cb -0.17 -4.05 0.10 0.00 -0.43 0.00 0.00 46.19 41.65 1mdk s LEU 22 CO 0.56 -3.09 0.26 -0.69 -0.29 0.00 0.00 176.35 173.10 1mdk s VAL 23 N -2.74 -0.38 -0.14 1.68 1.01 -0.78 -2.06 120.40 116.99 1mdk s VAL 23 Ca 0.65 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1mdk s VAL 23 Cb -0.21 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1mdk s VAL 23 CO 0.59 -0.22 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 1mdk s VAL 24 N 2.37 4.58 -0.07 2.92 1.01 -0.86 -0.37 120.40 129.99 1mdk s VAL 24 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1mdk s VAL 24 Cb -0.16 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1mdk s VAL 24 CO -0.15 0.53 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 1mdk s VAL 25 N -0.19 3.68 -0.40 2.92 1.01 -0.13 -1.39 120.40 125.90 1mdk s VAL 25 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1mdk s VAL 25 Cb -0.12 -2.50 0.09 0.00 0.00 0.00 0.00 36.38 33.85 1mdk s VAL 25 CO 0.02 0.60 0.20 -0.62 0.00 0.00 0.00 175.10 175.30 1mdk s ASP 26 N -0.81 5.38 -1.23 3.32 2.15 -1.08 -2.91 116.67 121.49 1mdk s ASP 26 Ca 0.12 -1.71 -0.14 0.00 0.43 0.00 0.00 52.55 51.26 1mdk s ASP 26 Cb -0.11 -1.88 0.16 0.00 -0.30 0.00 0.00 42.92 40.78 1mdk s ASP 26 CO 0.01 -0.51 1.50 0.49 -0.17 0.00 0.00 175.17 176.50 1mdk n PHE 27 N 4.74 4.82 -4.27 -5.34 3.01 -0.91 -2.29 117.46 117.21 1mdk n PHE 27 Ca -0.07 -3.27 -0.30 0.00 1.01 0.00 0.00 57.45 54.82 1mdk n PHE 27 Cb 0.42 -2.23 -0.10 0.00 -0.01 0.00 0.00 39.48 37.55 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 2.88 4.20 -0.13 4.37 0.01 -1.20 -3.12 113.70 120.71 1mdk s SER 28 Ca 0.44 -0.44 -0.19 0.00 1.31 0.00 0.00 55.95 57.07 1mdk s SER 28 Cb -0.01 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1mdk s SER 28 CO 0.01 0.18 0.50 0.00 0.41 0.00 0.00 173.24 174.34 1mdk s ALA 29 N -1.18 3.48 0.33 1.44 0.00 -1.26 -4.14 121.76 120.43 1mdk s ALA 29 Ca 0.20 -0.20 0.31 0.00 0.00 0.00 0.00 51.96 52.26 1mdk s ALA 29 Cb -0.11 -2.70 1.48 0.00 0.00 0.00 0.00 23.12 21.79 1mdk s ALA 29 CO 0.12 -0.08 2.05 0.00 0.00 0.00 0.00 175.76 177.85 1mdk h THR 30 N 4.79 0.35 0.00 0.00 1.03 -1.97 -2.62 112.91 114.49 1mdk h THR 30 Ca -0.40 -0.56 -0.05 0.00 -0.01 0.00 0.00 66.41 65.39 1mdk h THR 30 Cb 1.18 1.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.66 1mdk h THR 30 CO 0.75 0.09 -1.04 4.11 -0.01 0.00 0.00 175.52 179.42 1mdk h TRP 31 N 0.00 0.00 -3.53 0.00 5.08 -2.04 -3.45 115.95 112.01 1mdk h TRP 31 Ca -0.00 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.36 1mdk h TRP 31 Cb 0.40 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.44 1mdk h TRP 31 CO 0.00 0.17 0.08 0.00 -1.28 0.00 0.00 178.44 177.41 1mdk h GLY 33 N 8.88 -0.62 -0.28 0.00 0.00 -1.87 -2.36 103.07 106.81 1mdk h GLY 33 Ca -0.28 0.23 0.30 0.00 0.00 0.00 0.00 47.33 47.58 1mdk h GLY 33 CO 0.75 -0.23 0.72 -2.55 0.00 0.00 0.00 176.54 175.23 1mdk h PRO 34 N -0.65 0.29 0.06 4.80 0.11 -1.94 1.77 132.00 136.45 1mdk h PRO 34 Ca -0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1mdk h PRO 34 Cb 0.48 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1mdk h PRO 34 CO 0.10 0.19 -0.03 0.00 -0.21 0.00 0.00 178.00 178.05 1mdk h ALA 35 N 1.59 -0.12 0.00 -0.75 0.00 -1.82 -3.29 119.26 114.87 1mdk h ALA 35 Ca 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1mdk h ALA 35 Cb 1.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1mdk h ALA 35 CO -0.27 -0.11 0.00 -0.22 0.00 0.00 0.00 179.25 178.65 1mdk h LYS 36 N -0.64 0.00 0.00 0.00 3.64 -1.02 -1.84 116.57 116.72 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 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1mdk h LYS 36 CO 0.01 0.00 0.01 1.98 -2.27 0.00 0.00 179.45 179.19 1mdk h MET 37 N 0.00 0.00 -0.73 1.90 4.05 0.26 -0.06 114.93 120.35 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 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 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 -3.01 1.09 0.05 1.77 5.41 -0.69 -4.44 119.36 119.54 1mdk n ILE 38 Ca -0.03 -1.01 -0.00 0.00 1.00 0.00 0.00 62.75 62.71 1mdk n ILE 38 Cb 0.08 0.45 0.30 0.00 -0.71 0.00 0.00 39.64 39.76 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 4.29 0.39 0.00 0.38 2.10 -1.18 -2.53 116.57 120.02 1mdk h LYS 39 Ca 0.00 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1mdk h LYS 39 Cb 1.04 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1mdk h LYS 39 CO 0.03 0.53 0.00 -2.30 -2.00 0.00 0.00 179.45 175.71 1mdk n PRO 40 N -4.22 0.03 0.00 0.07 -0.02 -1.26 -2.21 135.00 127.38 1mdk n PRO 40 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1mdk n PRO 40 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.33 0.00 -0.21 6.00 3.01 -0.96 -3.98 117.46 119.99 1mdk n PHE 41 Ca 0.01 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.40 1mdk n PHE 41 Cb 0.02 0.00 -0.02 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 -1.19 -0.09 1.38 3.57 -1.60 0.30 116.94 119.30 1mdk h PHE 42 Ca 0.00 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1mdk h PHE 42 Cb 0.00 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1mdk h PHE 42 CO 0.00 -0.41 -0.26 1.25 -2.23 0.00 0.00 178.31 176.66 1mdk h HIS 43 N -0.20 0.18 -0.72 0.41 2.76 -1.70 -2.81 115.15 113.06 1mdk h HIS 43 Ca 0.20 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1mdk h HIS 43 Cb 0.56 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mdk h HIS 43 CO -0.70 0.41 0.22 1.03 -1.30 0.00 0.00 177.93 177.59 1mdk h SER 44 N 0.15 1.05 0.00 3.26 0.87 -0.54 -2.02 113.55 116.31 1mdk h SER 44 Ca 0.02 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1mdk h SER 44 Cb 0.54 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1mdk h SER 44 CO 0.04 0.98 0.27 0.18 -0.53 0.00 0.00 176.83 177.77 1mdk n LEU 45 N -4.28 0.18 -0.30 2.23 4.77 -0.13 -1.24 117.00 118.23 1mdk n LEU 45 Ca 0.06 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1mdk n LEU 45 Cb 0.23 -0.39 0.26 0.00 -2.33 0.00 0.00 43.42 41.19 1mdk n LEU 45 CO 0.42 -0.49 1.24 0.28 -1.33 0.00 0.00 177.39 177.51 1mdk h SER 46 N 0.00 0.86 0.38 -1.43 0.02 -1.51 0.27 113.55 112.15 1mdk h SER 46 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1mdk h SER 46 Cb 0.53 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1mdk h SER 46 CO 0.00 0.52 -0.73 -0.62 -1.14 0.00 0.00 176.83 174.86 1mdk n GLU 47 N -4.52 0.07 -0.09 3.45 -0.58 -0.37 -3.90 120.64 114.71 1mdk n GLU 47 Ca 0.15 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.74 1mdk n GLU 47 Cb 0.27 -1.53 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 1mdk n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1mdk h LYS 48 N 0.00 0.00 -2.80 3.49 3.11 -1.22 -3.41 116.57 115.74 1mdk h LYS 48 Ca 0.00 0.00 -0.72 0.00 -2.81 0.00 0.00 60.65 57.12 1mdk h LYS 48 Cb 0.56 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 31.45 1mdk h LYS 48 CO 0.00 0.67 0.18 0.66 -2.81 0.00 0.00 179.45 178.15 1mdk n TYR 49 N -4.52 3.22 0.62 1.91 4.01 0.82 -4.81 117.16 118.41 1mdk n TYR 49 Ca -0.22 -3.43 0.05 0.00 -0.16 0.00 0.00 57.90 54.14 1mdk n TYR 49 Cb 0.52 -1.04 0.30 0.00 -0.31 0.00 0.00 39.34 38.80 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 1.42 0.00 -0.41 7.72 3.41 -1.25 -1.04 113.62 123.47 1mdk n SER 50 Ca 0.26 -0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1mdk n SER 50 Cb 0.37 -0.08 0.19 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.08 1.63 -4.48 4.04 2.85 -1.26 -4.64 115.26 112.32 1mdk n ASN 51 Ca 0.07 -1.28 -0.29 0.00 -0.11 0.00 0.00 54.58 52.97 1mdk n ASN 51 Cb 0.05 0.28 -0.11 0.00 1.24 0.00 0.00 39.78 41.24 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 -2.44 2.78 -0.18 3.44 1.01 -0.20 -4.52 120.40 120.29 1mdk s VAL 52 Ca 0.23 -1.57 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1mdk s VAL 52 Cb 0.19 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1mdk s VAL 52 CO 0.52 0.07 0.12 -0.63 0.00 0.00 0.00 175.10 175.19 1mdk s ILE 53 N -1.20 5.36 -0.09 2.22 -1.09 -0.87 -3.84 121.20 121.69 1mdk s ILE 53 Ca 0.18 0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.79 1mdk s ILE 53 Cb -0.10 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1mdk s ILE 53 CO 0.10 0.48 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.78 1mdk s PHE 54 N 0.05 2.72 0.43 3.97 0.08 -0.87 -2.02 117.98 122.35 1mdk s PHE 54 Ca 0.09 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.76 1mdk s PHE 54 Cb -0.11 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1mdk s PHE 54 CO -0.00 -0.04 0.14 -0.51 -0.10 0.00 0.00 175.22 174.71 1mdk s LEU 55 N -0.17 2.96 -0.04 -0.37 1.02 -0.49 -1.28 118.68 120.32 1mdk s LEU 55 Ca -0.01 -1.21 -0.05 0.00 0.02 0.00 0.00 54.13 52.88 1mdk s LEU 55 Cb -0.13 -1.24 0.01 0.00 0.02 0.00 0.00 46.19 44.85 1mdk s LEU 55 CO 0.03 -0.59 0.14 -0.70 0.02 0.00 0.00 176.35 175.25 1mdk s GLU 56 N -3.89 0.24 0.00 1.70 2.12 0.07 -2.64 118.70 116.31 1mdk s GLU 56 Ca 0.36 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.74 1mdk s GLU 56 Cb 0.05 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.54 1mdk s GLU 56 CO 0.20 -0.04 -0.03 0.08 -0.54 0.00 0.00 175.26 174.93 1mdk s VAL 57 N -0.29 0.19 -0.74 3.70 1.01 -0.97 -1.60 120.40 121.70 1mdk s VAL 57 Ca -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1mdk s VAL 57 Cb -0.03 -0.18 0.17 0.00 0.00 0.00 0.00 36.38 36.34 1mdk s VAL 57 CO 0.00 -0.01 0.73 -0.62 0.00 0.00 0.00 175.10 175.21 1mdk s ASP 58 N -0.22 6.53 0.00 3.32 2.15 -1.26 -3.24 116.67 123.95 1mdk s ASP 58 Ca -0.01 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.75 1mdk s ASP 58 Cb -0.02 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1mdk s ASP 58 CO -0.00 -0.77 0.52 1.33 -0.17 0.00 0.00 175.17 176.08 1mdk n VAL 59 N 4.67 0.47 -0.04 1.11 0.24 -1.26 -0.48 118.33 123.05 1mdk n VAL 59 Ca 0.05 0.16 -0.05 0.00 -2.04 0.00 0.00 64.34 62.46 1mdk n VAL 59 Cb 0.45 -1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 31.61 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 -1.02 3.30 0.03 -1.34 8.00 -1.26 -4.40 116.55 119.86 1mdk n ASP 60 Ca 0.00 -0.04 0.11 0.00 0.71 0.00 0.00 54.79 55.58 1mdk n ASP 60 Cb 0.05 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.63 0.51 -2.50 -2.24 -0.08 -0.81 -4.30 116.55 104.50 1mdk n ASP 61 Ca -0.15 -0.11 -0.24 0.00 -1.51 0.00 0.00 54.79 52.78 1mdk n ASP 61 Cb 0.68 1.08 0.00 0.00 2.34 0.00 0.00 41.12 45.23 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 -1.99 4.84 0.15 -1.67 0.00 0.37 -4.84 120.51 117.37 1mdk n ALA 62 Ca 0.00 -4.16 0.08 0.00 0.00 0.00 0.00 53.44 49.36 1mdk n ALA 62 Cb 0.49 -0.59 0.41 0.00 0.00 0.00 0.00 19.45 19.76 1mdk n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdk n GLN 63 N -0.42 0.10 -0.05 0.00 10.64 -1.26 -0.90 117.38 125.49 1mdk n GLN 63 Ca 0.35 0.58 -0.12 0.00 -1.83 0.00 0.00 57.00 55.98 1mdk n GLN 63 Cb 0.68 -2.01 0.01 0.00 -0.86 0.00 0.00 30.24 28.06 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1mdk h ASP 64 N 0.00 0.83 -0.02 2.61 2.03 -1.93 0.23 116.42 120.17 1mdk h ASP 64 Ca 0.00 -0.42 -0.06 0.00 -0.73 0.00 0.00 57.03 55.82 1mdk h ASP 64 Cb 0.36 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1mdk h ASP 64 CO 0.00 1.18 -0.22 0.58 -1.03 0.00 0.00 179.24 179.75 1mdk h VAL 65 N 0.60 1.50 -0.40 4.15 2.07 -1.39 -2.56 116.25 120.22 1mdk h VAL 65 Ca 0.03 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1mdk h VAL 65 Cb 1.07 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1mdk h VAL 65 CO 0.11 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.29 1mdk h ALA 66 N 0.33 1.42 0.03 1.67 0.00 -1.55 -1.40 119.26 119.76 1mdk h ALA 66 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 66 Cb 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1mdk h ALA 66 CO 0.04 0.42 -0.01 0.77 0.00 0.00 0.00 179.25 180.47 1mdk h SER 67 N 0.58 -0.03 -0.14 0.00 0.02 -0.52 0.13 113.55 113.58 1mdk h SER 67 Ca 0.13 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1mdk h SER 67 Cb 0.22 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1mdk h SER 67 CO -0.00 0.19 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.78 1mdk h GLU 68 N -0.25 0.39 -0.02 3.45 4.81 -1.21 -1.08 114.58 120.68 1mdk h GLU 68 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1mdk h GLU 68 Cb 0.23 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1mdk h GLU 68 CO 0.01 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 1mdk n ALA 69 N -2.48 2.60 -3.84 2.92 0.00 -0.55 -4.94 120.51 114.23 1mdk n ALA 69 Ca 0.01 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1mdk n ALA 69 Cb 0.23 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.17 -2.49 -2.67 0.00 -0.58 0.36 -4.89 120.64 110.20 1mdk n GLU 70 Ca 0.20 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.94 1mdk n GLU 70 Cb 0.28 -4.33 -0.03 0.00 -0.57 0.00 0.00 31.44 26.79 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1mdk s VAL 71 N -3.74 4.76 0.00 2.62 1.01 -0.65 -4.90 120.40 119.51 1mdk s VAL 71 Ca 0.20 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1mdk s VAL 71 Cb -0.08 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1mdk s VAL 71 CO 0.88 0.14 0.28 0.29 0.00 0.00 0.00 175.10 176.68 1mdk n LYS 72 N 4.02 1.62 -3.71 2.72 4.76 -1.26 -4.95 118.16 121.35 1mdk n LYS 72 Ca 0.07 -0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.09 1mdk n LYS 72 Cb 0.50 -0.75 -0.09 0.00 -1.84 0.00 0.00 35.03 32.84 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 -0.31 -1.11 0.13 7.82 0.00 -1.26 -5.17 121.76 121.86 1mdk s ALA 73 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.24 1mdk s ALA 73 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1mdk s ALA 73 CO 0.00 -0.23 -0.26 0.95 0.00 0.00 0.00 175.76 176.23 1mdk s THR 74 N 0.00 2.16 0.46 0.00 -4.23 -1.26 -3.87 115.64 108.90 1mdk s THR 74 Ca -0.02 -1.74 -0.21 0.00 -1.18 0.00 0.00 61.69 58.55 1mdk s THR 74 Cb -0.03 -1.92 -0.10 0.00 1.34 0.00 0.00 72.50 71.79 1mdk s THR 74 CO 0.01 0.04 1.00 -2.16 -0.54 0.00 0.00 174.62 172.98 1mdk s PRO 75 N -2.08 4.01 -0.15 3.99 0.04 -1.26 -4.80 135.00 134.76 1mdk s PRO 75 Ca 0.13 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1mdk s PRO 75 Cb -0.10 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1mdk s PRO 75 CO 0.06 -0.24 -0.18 0.99 0.04 0.00 0.00 177.00 177.67 1mdk s THR 76 N -2.05 2.40 -0.32 1.26 2.01 -1.18 -2.83 115.64 114.93 1mdk s THR 76 Ca 0.64 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 1mdk s THR 76 Cb -0.13 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1mdk s THR 76 CO 0.17 0.53 0.19 -0.36 -0.69 0.00 0.00 174.62 174.46 1mdk s PHE 77 N 0.86 3.20 -0.04 4.92 0.08 -0.56 -2.15 117.98 124.30 1mdk s PHE 77 Ca -0.05 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.66 1mdk s PHE 77 Cb -0.15 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 1mdk s PHE 77 CO -0.02 -0.40 -0.19 -0.65 -0.10 0.00 0.00 175.22 173.86 1mdk s GLN 78 N 1.66 2.34 -0.18 0.44 -0.21 -1.14 -0.54 119.66 122.03 1mdk s GLN 78 Ca 0.05 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 1mdk s GLN 78 Cb -0.17 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 1mdk s GLN 78 CO 0.08 0.60 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.76 1mdk s PHE 79 N -0.68 3.01 0.18 0.91 0.40 -0.34 -0.96 117.98 120.50 1mdk s PHE 79 Ca 0.11 -0.47 0.10 0.00 -0.60 0.00 0.00 56.93 56.07 1mdk s PHE 79 Cb -0.10 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1mdk s PHE 79 CO -0.00 -0.20 -0.21 -0.06 0.70 0.00 0.00 175.22 175.46 1mdk s PHE 80 N 0.76 2.01 -0.24 0.36 0.08 0.50 -1.93 117.98 119.53 1mdk s PHE 80 Ca -0.01 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1mdk s PHE 80 Cb -0.14 -1.00 0.09 0.00 -0.57 0.00 0.00 43.02 41.40 1mdk s PHE 80 CO 0.02 0.40 0.54 0.21 -0.10 0.00 0.00 175.22 176.29 1mdk s LYS 81 N -2.74 0.49 -1.85 0.44 2.20 0.16 -1.87 119.74 116.57 1mdk s LYS 81 Ca 0.18 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1mdk s LYS 81 Cb -0.07 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 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 5.00 -1.42 -0.25 4.03 5.02 -1.26 -0.13 118.16 129.15 1mdk n LYS 82 Ca -0.14 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1mdk n LYS 82 Cb 0.52 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 -0.37 0.68 3.62 0.72 0.00 -1.26 -4.98 105.19 103.59 1mdk n GLY 83 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.71 2.41 0.12 1.61 -1.52 0.82 -5.10 119.66 117.29 1mdk s GLN 84 Ca 0.00 -0.86 -0.22 0.00 -1.95 0.00 0.00 55.36 52.33 1mdk s GLN 84 Cb 0.00 -2.45 -0.07 0.00 -0.22 0.00 0.00 33.01 30.26 1mdk s GLN 84 CO 0.00 0.55 0.68 0.21 -0.25 0.00 0.00 175.29 176.48 1mdk s LYS 85 N -1.98 4.39 0.00 2.91 2.20 -1.26 0.40 119.74 126.40 1mdk s LYS 85 Ca 0.21 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1mdk s LYS 85 Cb -0.11 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1mdk s LYS 85 CO 0.13 0.60 0.00 1.33 -0.36 0.00 0.00 175.35 177.06 1mdk n VAL 86 N 1.66 0.00 -3.80 4.02 0.24 -0.81 -4.93 118.33 114.70 1mdk n VAL 86 Ca -0.08 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.24 1mdk n VAL 86 Cb 0.50 0.25 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 -1.91 -0.25 -0.18 7.63 0.00 -1.25 -5.03 107.32 106.32 1mdk s GLY 87 Ca 0.00 0.34 -0.32 0.00 0.00 0.00 0.00 44.72 44.73 1mdk s GLY 87 CO 0.00 2.80 1.16 -1.83 0.00 0.00 0.00 173.10 175.23 1mdk s GLU 88 N -2.22 0.37 -0.29 2.90 -1.05 -1.26 -1.20 118.70 115.96 1mdk s GLU 88 Ca 0.22 -0.05 -0.21 0.00 -0.15 0.00 0.00 54.97 54.78 1mdk s GLU 88 Cb 0.02 0.17 0.14 0.00 -0.44 0.00 0.00 34.13 34.02 1mdk s GLU 88 CO -0.02 -0.14 1.04 -0.59 0.95 0.00 0.00 175.26 176.50 1mdk s PHE 89 N -1.92 -0.48 0.50 4.83 -0.12 0.30 -5.00 117.98 116.10 1mdk s PHE 89 Ca 0.06 1.04 0.06 0.00 -0.05 0.00 0.00 56.93 58.04 1mdk s PHE 89 Cb -0.01 0.36 0.06 0.00 -0.63 0.00 0.00 43.02 42.79 1mdk s PHE 89 CO -0.04 -0.23 0.47 -1.13 -0.05 0.00 0.00 175.22 174.23 1mdk n SER 90 N 2.88 2.41 0.00 1.98 3.41 -1.26 -1.49 113.62 121.54 1mdk n SER 90 Ca -0.15 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1mdk n SER 90 Cb 0.57 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.09 1.93 3.56 5.00 0.00 -1.13 -4.83 105.19 108.62 1mdk n GLY 91 Ca 0.03 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 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 2.55 0.40 -3.27 4.61 0.00 -1.26 -4.74 120.51 118.80 1mdk n ALA 92 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 53.44 51.85 1mdk n ALA 92 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 19.45 16.14 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 17.84 0.17 -0.03 0.00 4.05 -1.26 -4.96 115.26 131.07 1mdk n ASN 93 Ca 0.48 -2.63 0.00 0.00 0.45 0.00 0.00 54.58 52.88 1mdk n ASN 93 Cb 0.42 -0.62 0.30 0.00 1.23 0.00 0.00 39.78 41.12 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1mdk h LYS 94 N 4.52 0.59 0.00 1.20 -0.00 -1.97 -1.69 116.57 119.22 1mdk h LYS 94 Ca 0.14 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.65 60.66 1mdk h LYS 94 Cb 0.88 -0.10 -0.00 0.00 -0.00 0.00 0.00 32.23 33.01 1mdk h LYS 94 CO 0.45 0.55 -0.14 0.93 -0.00 0.00 0.00 179.45 181.24 1mdk h GLU 95 N 0.58 0.00 -0.35 0.07 5.08 -1.99 -2.38 114.58 115.58 1mdk h GLU 95 Ca 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1mdk h GLU 95 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1mdk h GLU 95 CO -0.00 0.14 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.58 1mdk h LYS 96 N 0.00 0.79 -0.96 2.33 3.64 -1.72 -2.81 116.57 117.84 1mdk h LYS 96 Ca -0.00 -0.38 0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1mdk h LYS 96 Cb 0.37 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1mdk h LYS 96 CO 0.02 1.01 0.62 -0.07 -2.27 0.00 0.00 179.45 178.76 1mdk h LEU 97 N 0.66 0.52 0.46 5.20 3.38 -1.42 0.29 115.31 124.39 1mdk h LEU 97 Ca 0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1mdk h LEU 97 Cb 0.89 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1mdk h LEU 97 CO 0.08 0.18 -0.22 -0.08 0.09 0.00 0.00 178.44 178.49 1mdk h GLU 98 N 0.50 -0.59 -0.92 1.13 4.22 -1.60 0.30 114.58 117.63 1mdk h GLU 98 Ca 0.52 0.04 0.03 0.00 0.08 0.00 0.00 59.36 60.03 1mdk h GLU 98 Cb 1.17 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1mdk h GLU 98 CO -0.25 -0.29 0.60 0.00 -2.18 0.00 0.00 179.01 176.89 1mdk h ALA 99 N -0.60 1.20 -0.14 2.92 0.00 -1.25 0.84 119.26 122.22 1mdk h ALA 99 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mdk h ALA 99 Cb 0.58 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1mdk h ALA 99 CO 0.10 0.50 -0.04 1.15 0.00 0.00 0.00 179.25 180.96 1mdk h THR 100 N 1.19 1.29 -0.06 0.00 2.02 -0.45 -1.33 112.91 115.57 1mdk h THR 100 Ca 0.36 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1mdk h THR 100 Cb -0.05 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1mdk h THR 100 CO -0.10 0.29 0.03 0.40 0.37 0.00 0.00 175.52 176.51 1mdk h ILE 101 N -0.04 1.05 0.00 3.11 2.04 -0.65 -0.63 117.51 122.39 1mdk h ILE 101 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1mdk h ILE 101 Cb 0.46 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1mdk h ILE 101 CO 0.01 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.08 1mdk h ASN 102 N 0.03 0.00 0.14 1.72 -0.73 -0.80 0.70 115.58 116.64 1mdk h ASN 102 Ca 0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 1mdk h ASN 102 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1mdk h ASN 102 CO -0.00 0.00 -0.07 -0.08 -0.37 0.00 0.00 177.43 176.91 1mdk h GLU 103 N 0.00 -0.18 -0.78 6.67 4.57 0.08 -3.33 114.58 121.60 1mdk h GLU 103 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1mdk h GLU 103 Cb 0.07 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1mdk h GLU 103 CO 0.00 -0.12 0.06 1.28 -1.18 0.00 0.00 179.01 179.05 1mdk n LEU 104 N -4.80 4.11 0.00 1.64 4.77 -0.92 -5.11 117.00 116.69 1mdk n LEU 104 Ca -0.02 -2.10 0.02 0.00 -0.03 0.00 0.00 56.01 53.88 1mdk n LEU 104 Cb 0.07 -0.63 0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1mdk n LEU 104 CO 0.06 0.53 0.37 0.55 -1.33 0.00 0.00 177.39 177.57