#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 4.56 -0.24 2.03 1.01 -1.26 -2.33 120.40 124.17 1mdk s VAL 2 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1mdk s VAL 2 Cb 0.00 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.81 1mdk s VAL 2 CO 0.00 -0.43 0.54 -0.75 0.00 0.00 0.00 175.10 174.46 1mdk s LYS 3 N -4.39 0.48 -0.07 2.72 2.20 -0.76 -4.94 119.74 114.98 1mdk s LYS 3 Ca 0.44 1.17 -0.19 0.00 -0.36 0.00 0.00 55.97 57.02 1mdk s LYS 3 Cb -0.10 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 1mdk s LYS 3 CO 0.36 -0.20 0.53 -1.14 -0.36 0.00 0.00 175.35 174.54 1mdk s GLN 4 N 2.35 4.30 -0.38 4.03 0.74 -1.26 -1.80 119.66 127.64 1mdk s GLN 4 Ca -0.06 0.58 -0.04 0.00 0.05 0.00 0.00 55.36 55.90 1mdk s GLN 4 Cb -0.10 -3.39 0.09 0.00 1.10 0.00 0.00 33.01 30.71 1mdk s GLN 4 CO -0.16 0.26 0.16 0.42 -0.55 0.00 0.00 175.29 175.42 1mdk s ILE 5 N 0.22 3.36 -2.09 -2.34 -1.09 -0.58 -4.92 121.20 113.77 1mdk s ILE 5 Ca 0.29 -1.77 0.23 0.00 -2.23 0.00 0.00 60.65 57.17 1mdk s ILE 5 Cb -0.17 -3.16 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1mdk s ILE 5 CO 0.14 -0.50 1.14 -0.62 -1.23 0.00 0.00 174.94 173.86 1mdk n GLU 6 N 4.65 1.26 -3.72 2.79 1.02 -1.26 -4.38 120.64 121.00 1mdk n GLU 6 Ca -0.06 -1.03 -0.14 0.00 -0.02 0.00 0.00 57.16 55.91 1mdk n GLU 6 Cb 0.42 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.45 -0.28 0.59 1.62 1.04 -1.26 -4.61 113.70 108.36 1mdk s SER 7 Ca 0.20 0.25 0.29 0.00 0.48 0.00 0.00 55.95 57.16 1mdk s SER 7 Cb 0.18 0.40 1.48 0.00 0.10 0.00 0.00 66.02 68.18 1mdk s SER 7 CO 0.55 -0.44 1.89 0.50 0.98 0.00 0.00 173.24 176.73 1mdk h LYS 8 N 3.92 0.00 -0.12 4.02 3.64 -1.92 -0.26 116.57 125.85 1mdk h LYS 8 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1mdk h LYS 8 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1mdk h LYS 8 CO 0.38 0.00 0.07 1.15 -2.27 0.00 0.00 179.45 178.78 1mdk h THR 9 N 0.00 1.01 0.00 1.00 2.02 -2.00 -1.77 112.91 113.17 1mdk h THR 9 Ca 0.20 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1mdk h THR 9 Cb 1.16 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1mdk h THR 9 CO -0.00 0.03 -0.20 0.00 0.37 0.00 0.00 175.52 175.72 1mdk h ALA 10 N 1.05 1.04 0.32 6.16 0.00 -1.45 -3.11 119.26 123.27 1mdk h ALA 10 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1mdk h ALA 10 Cb -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mdk h ALA 10 CO -0.02 0.24 -0.19 0.35 0.00 0.00 0.00 179.25 179.63 1mdk h PHE 11 N 0.00 -0.50 -0.63 0.00 3.57 -0.94 0.38 116.94 118.82 1mdk h PHE 11 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1mdk h PHE 11 Cb 0.69 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1mdk h PHE 11 CO 0.00 -0.28 0.33 1.96 -2.23 0.00 0.00 178.31 178.08 1mdk h GLN 12 N -0.47 0.58 -0.57 1.11 4.20 -1.61 -0.59 115.11 117.76 1mdk h GLN 12 Ca -0.04 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1mdk h GLN 12 Cb 0.37 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1mdk h GLN 12 CO 0.05 0.38 0.38 0.93 -0.67 0.00 0.00 178.83 179.90 1mdk h GLU 13 N 0.60 0.64 -0.13 1.46 5.08 -1.45 0.13 114.58 120.91 1mdk h GLU 13 Ca 0.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1mdk h GLU 13 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mdk h GLU 13 CO -0.20 0.43 0.08 0.00 -1.00 0.00 0.00 179.01 178.31 1mdk h ALA 14 N 1.67 0.16 -0.48 3.43 0.00 0.14 0.46 119.26 124.64 1mdk h ALA 14 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1mdk h ALA 14 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mdk h ALA 14 CO -0.06 -0.33 0.14 -0.07 0.00 0.00 0.00 179.25 178.93 1mdk h LEU 15 N 0.15 0.71 -0.86 0.00 3.38 -1.07 0.21 115.31 117.82 1mdk h LEU 15 Ca 0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1mdk h LEU 15 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1mdk h LEU 15 CO -0.01 0.74 0.09 -0.78 0.09 0.00 0.00 178.44 178.57 1mdk h ASP 16 N 0.65 0.89 1.59 -0.43 1.82 -0.67 -2.22 116.42 118.05 1mdk h ASP 16 Ca 0.15 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1mdk h ASP 16 Cb 0.29 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1mdk h ASP 16 CO -0.00 0.90 -0.02 0.00 -1.61 0.00 0.00 179.24 178.51 1mdk h ALA 17 N 1.21 0.99 0.00 -0.78 0.00 0.23 -3.15 119.26 117.76 1mdk h ALA 17 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mdk h ALA 17 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 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 -1.87 1.62 -0.52 0.00 0.00 0.70 -4.92 120.51 115.53 1mdk n ALA 18 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mdk n ALA 18 Cb 0.46 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.17 2.04 0.00 0.00 0.00 -1.19 -2.97 105.19 102.90 1mdk n GLY 19 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 10.44 0.33 -4.71 1.61 2.03 -1.26 -4.40 116.55 120.59 1mdk n ASP 20 Ca 0.00 -1.07 -0.29 0.00 0.52 0.00 0.00 54.79 53.95 1mdk n ASP 20 Cb 0.00 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.07 0.99 0.96 -0.67 1.02 -1.16 -4.79 119.74 116.02 1mdk s LYS 21 Ca 0.00 0.68 -0.11 0.00 0.02 0.00 0.00 55.97 56.55 1mdk s LYS 21 Cb 0.00 -1.79 0.17 0.00 -0.52 0.00 0.00 37.83 35.69 1mdk s LYS 21 CO 0.00 -2.39 1.10 -1.17 -0.92 0.00 0.00 175.35 171.97 1mdk s LEU 22 N -6.28 2.23 -0.23 3.17 0.20 -1.26 -4.71 118.68 111.80 1mdk s LEU 22 Ca 0.64 1.84 -0.03 0.00 0.69 0.00 0.00 54.13 57.27 1mdk s LEU 22 Cb -0.18 -4.14 0.10 0.00 -0.43 0.00 0.00 46.19 41.54 1mdk s LEU 22 CO 0.57 -3.19 0.22 -0.69 -0.29 0.00 0.00 176.35 172.96 1mdk s VAL 23 N -2.68 -0.29 -0.14 1.68 1.01 -0.91 -2.02 120.40 117.03 1mdk s VAL 23 Ca 0.66 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1mdk s VAL 23 Cb -0.22 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1mdk s VAL 23 CO 0.59 -0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.78 1mdk s VAL 24 N 2.29 5.06 -0.11 2.92 1.01 -0.74 -0.46 120.40 130.38 1mdk s VAL 24 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1mdk s VAL 24 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1mdk s VAL 24 CO -0.18 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.67 1mdk s VAL 25 N -0.38 3.39 -0.44 2.92 1.01 0.09 -0.77 120.40 126.22 1mdk s VAL 25 Ca 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1mdk s VAL 25 Cb -0.12 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 33.94 1mdk s VAL 25 CO 0.02 0.54 0.30 -0.62 0.00 0.00 0.00 175.10 175.34 1mdk s ASP 26 N -0.04 5.69 -1.23 3.32 2.15 -1.03 -2.74 116.67 122.79 1mdk s ASP 26 Ca -0.01 -1.66 -0.14 0.00 0.43 0.00 0.00 52.55 51.17 1mdk s ASP 26 Cb -0.14 -2.01 0.16 0.00 -0.30 0.00 0.00 42.92 40.64 1mdk s ASP 26 CO 0.03 -0.61 1.50 0.49 -0.17 0.00 0.00 175.17 176.42 1mdk n PHE 27 N 4.93 4.82 -4.28 -5.34 3.01 -1.08 -2.22 117.46 117.30 1mdk n PHE 27 Ca -0.09 -3.27 -0.30 0.00 1.01 0.00 0.00 57.45 54.80 1mdk n PHE 27 Cb 0.42 -2.23 -0.10 0.00 -0.01 0.00 0.00 39.48 37.56 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 4.33 -0.12 4.37 0.01 -1.18 -3.15 113.70 120.83 1mdk s SER 28 Ca 0.44 -0.39 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1mdk s SER 28 Cb -0.01 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.36 1mdk s SER 28 CO 0.01 0.19 0.48 0.00 0.41 0.00 0.00 173.24 174.33 1mdk s ALA 29 N -1.18 3.48 0.30 1.44 0.00 -1.26 -4.18 121.76 120.36 1mdk s ALA 29 Ca 0.20 -0.21 0.27 0.00 0.00 0.00 0.00 51.96 52.23 1mdk s ALA 29 Cb -0.11 -2.66 1.29 0.00 0.00 0.00 0.00 23.12 21.64 1mdk s ALA 29 CO 0.12 -0.03 1.99 0.00 0.00 0.00 0.00 175.76 177.84 1mdk h THR 30 N 4.75 0.50 0.00 0.00 1.03 -1.98 -2.50 112.91 114.72 1mdk h THR 30 Ca -0.40 -0.73 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 1mdk h THR 30 Cb 1.18 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 1mdk h THR 30 CO 0.75 0.14 -0.77 4.11 -0.01 0.00 0.00 175.52 179.75 1mdk h TRP 31 N 0.00 0.00 -3.48 0.00 5.08 -2.04 -3.45 115.95 112.06 1mdk h TRP 31 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 1mdk h TRP 31 Cb 0.49 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.53 1mdk h TRP 31 CO 0.00 0.00 -0.15 0.00 -1.28 0.00 0.00 178.44 177.01 1mdk h GLY 33 N 7.78 -0.84 -0.53 0.00 0.00 -1.88 -2.43 103.07 105.17 1mdk h GLY 33 Ca -0.35 0.31 0.34 0.00 0.00 0.00 0.00 47.33 47.63 1mdk h GLY 33 CO 0.72 -0.31 0.74 -2.55 0.00 0.00 0.00 176.54 175.15 1mdk h PRO 34 N -1.05 0.25 0.15 4.80 0.11 -1.94 1.36 132.00 135.68 1mdk h PRO 34 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1mdk h PRO 34 Cb 0.67 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1mdk h PRO 34 CO 0.14 0.17 -0.07 0.00 -0.21 0.00 0.00 178.00 178.02 1mdk h ALA 35 N 1.61 -0.20 0.00 -0.75 0.00 -1.84 -3.25 119.26 114.83 1mdk h ALA 35 Ca 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1mdk h ALA 35 Cb 1.95 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1mdk h ALA 35 CO -0.34 -0.19 0.00 -0.22 0.00 0.00 0.00 179.25 178.50 1mdk h LYS 36 N -1.02 0.00 -0.02 0.00 3.64 -0.84 -1.87 116.57 116.47 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 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1mdk h LYS 36 CO 0.03 0.00 0.02 1.98 -2.27 0.00 0.00 179.45 179.21 1mdk h MET 37 N 0.00 0.00 -0.45 1.90 4.05 0.17 -0.86 114.93 119.75 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 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 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 -3.77 0.59 -0.01 1.77 5.41 -0.70 -4.38 119.36 118.28 1mdk n ILE 38 Ca -0.03 -0.72 0.01 0.00 1.00 0.00 0.00 62.75 63.02 1mdk n ILE 38 Cb 0.10 0.66 0.34 0.00 -0.71 0.00 0.00 39.64 40.03 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 3.78 0.54 0.00 0.38 2.10 -1.30 -1.95 116.57 120.12 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 0.85 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1mdk h LYS 39 CO 0.00 0.49 0.00 -2.30 -2.00 0.00 0.00 179.45 175.64 1mdk n PRO 40 N -4.35 0.05 0.00 0.07 -0.02 -1.26 -2.10 135.00 127.39 1mdk n PRO 40 Ca 0.02 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1mdk n PRO 40 Cb 0.18 -1.50 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 -1.29 0.00 -0.15 6.00 3.01 -0.76 -4.03 117.46 120.25 1mdk n PHE 41 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 1mdk n PHE 41 Cb 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.42 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 -1.51 -0.03 1.38 3.57 -1.55 0.20 116.94 118.99 1mdk h PHE 42 Ca 0.00 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1mdk h PHE 42 Cb 0.00 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1mdk h PHE 42 CO 0.00 -0.47 -0.24 1.25 -2.23 0.00 0.00 178.31 176.62 1mdk h HIS 43 N -0.35 0.06 -0.69 0.41 2.76 -1.67 -2.67 115.15 113.00 1mdk h HIS 43 Ca 0.11 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1mdk h HIS 43 Cb 0.59 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 1mdk h HIS 43 CO -0.69 0.30 0.25 0.77 -1.30 0.00 0.00 177.93 177.26 1mdk h SER 44 N 0.05 0.98 0.00 3.26 0.02 -0.73 -1.65 113.55 115.48 1mdk h SER 44 Ca 0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1mdk h SER 44 Cb 0.46 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1mdk h SER 44 CO 0.03 0.90 0.34 -0.07 -1.14 0.00 0.00 176.83 176.89 1mdk h LEU 45 N 1.00 0.00 -1.86 5.07 3.38 -0.65 0.27 115.31 122.51 1mdk h LEU 45 Ca 0.23 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1mdk h LEU 45 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1mdk h LEU 45 CO -0.01 0.00 0.28 0.28 0.09 0.00 0.00 178.44 179.08 1mdk h SER 46 N 0.00 0.14 0.50 -0.43 0.02 -1.42 0.53 113.55 112.89 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 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1mdk h SER 46 CO 0.00 0.09 -1.47 -0.62 -1.14 0.00 0.00 176.83 173.69 1mdk n GLU 47 N -4.46 0.61 0.08 3.45 4.71 0.08 -3.80 120.64 121.32 1mdk n GLU 47 Ca 0.06 -0.03 0.09 0.00 -0.01 0.00 0.00 57.16 57.26 1mdk n GLU 47 Cb 0.36 -1.67 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1mdk n LYS 48 N -2.45 0.61 -3.22 3.49 4.81 -0.48 -4.48 118.16 116.44 1mdk n LYS 48 Ca -0.02 0.12 -0.24 0.00 -0.87 0.00 0.00 58.31 57.30 1mdk n LYS 48 Cb 0.55 -1.80 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.69 0.91 0.64 5.64 4.01 0.17 -4.90 117.16 120.95 1mdk n TYR 49 Ca -0.03 -3.77 0.06 0.00 -0.16 0.00 0.00 57.90 54.01 1mdk n TYR 49 Cb 0.62 -0.42 0.33 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 0.99 0.00 -0.79 7.72 3.41 -1.25 -1.53 113.62 122.18 1mdk n SER 50 Ca 0.24 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 1mdk n SER 50 Cb 0.52 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.57 1mdk n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mdk n ASN 51 N -1.20 2.41 -4.44 4.04 5.15 -1.26 -4.52 115.26 115.44 1mdk n ASN 51 Ca 0.07 -1.80 -0.28 0.00 -0.60 0.00 0.00 54.58 51.97 1mdk n ASN 51 Cb 0.08 -0.08 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdk s VAL 52 N -1.83 2.46 -0.21 3.44 1.01 -0.58 -4.63 120.40 120.06 1mdk s VAL 52 Ca 0.34 -1.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 1mdk s VAL 52 Cb 0.20 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1mdk s VAL 52 CO 0.30 -0.05 0.13 -0.63 0.00 0.00 0.00 175.10 174.85 1mdk s ILE 53 N -1.50 5.32 -0.10 2.22 -1.09 -0.86 -3.86 121.20 121.33 1mdk s ILE 53 Ca 0.19 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1mdk s ILE 53 Cb -0.09 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1mdk s ILE 53 CO 0.10 0.42 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.72 1mdk s PHE 54 N 0.55 2.76 0.40 3.97 0.08 -0.98 -1.79 117.98 122.96 1mdk s PHE 54 Ca 0.07 -0.53 0.08 0.00 0.12 0.00 0.00 56.93 56.67 1mdk s PHE 54 Cb -0.12 -1.77 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1mdk s PHE 54 CO -0.00 -0.11 0.12 -0.51 -0.10 0.00 0.00 175.22 174.62 1mdk s LEU 55 N 0.04 3.06 -0.05 -0.37 1.02 0.05 -1.83 118.68 120.59 1mdk s LEU 55 Ca -0.05 -1.11 -0.05 0.00 0.02 0.00 0.00 54.13 52.94 1mdk s LEU 55 Cb -0.14 -1.33 0.01 0.00 0.02 0.00 0.00 46.19 44.75 1mdk s LEU 55 CO 0.04 -0.47 0.15 -0.70 0.02 0.00 0.00 176.35 175.39 1mdk s GLU 56 N -3.84 0.21 0.01 1.70 2.12 -0.74 -2.46 118.70 115.70 1mdk s GLU 56 Ca 0.39 0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.86 1mdk s GLU 56 Cb 0.04 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1mdk s GLU 56 CO 0.21 -0.03 -0.01 0.08 -0.54 0.00 0.00 175.26 174.97 1mdk s VAL 57 N -0.08 0.06 -0.52 3.70 1.01 -0.94 -1.53 120.40 122.10 1mdk s VAL 57 Ca -0.02 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1mdk s VAL 57 Cb -0.02 -0.16 0.12 0.00 0.00 0.00 0.00 36.38 36.32 1mdk s VAL 57 CO 0.00 -0.28 0.45 -0.62 0.00 0.00 0.00 175.10 174.65 1mdk s ASP 58 N -0.83 6.09 0.00 3.32 2.15 -1.26 -3.11 116.67 123.02 1mdk s ASP 58 Ca -0.09 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.15 1mdk s ASP 58 Cb -0.06 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1mdk s ASP 58 CO -0.01 -0.79 0.65 1.33 -0.17 0.00 0.00 175.17 176.19 1mdk n VAL 59 N 5.18 0.68 -0.07 1.11 0.24 -1.26 -0.31 118.33 123.90 1mdk n VAL 59 Ca -0.13 0.18 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 1mdk n VAL 59 Cb 0.41 -1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 31.53 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 -1.15 2.70 -0.00 -1.34 8.00 -1.26 -4.46 116.55 119.04 1mdk n ASP 60 Ca 0.00 -0.05 0.04 0.00 0.71 0.00 0.00 54.79 55.49 1mdk n ASP 60 Cb 0.01 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 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 -3.00 0.33 -2.53 -2.24 2.03 -1.02 -4.28 116.55 105.84 1mdk n ASP 61 Ca -0.26 0.14 -0.33 0.00 0.52 0.00 0.00 54.79 54.86 1mdk n ASP 61 Cb 0.77 1.13 0.03 0.00 -0.72 0.00 0.00 41.12 42.33 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 -2.38 5.83 0.14 -1.67 0.00 0.58 -4.75 120.51 118.25 1mdk n ALA 62 Ca -0.11 -4.00 0.06 0.00 0.00 0.00 0.00 53.44 49.40 1mdk n ALA 62 Cb 0.75 -1.26 0.34 0.00 0.00 0.00 0.00 19.45 19.28 1mdk n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mdk n GLN 63 N -0.63 0.08 -0.06 0.00 6.02 -1.26 -0.89 117.38 120.64 1mdk n GLN 63 Ca 0.50 0.54 -0.14 0.00 -0.01 0.00 0.00 57.00 57.89 1mdk n GLN 63 Cb 0.56 -2.00 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1mdk h ASP 64 N 0.00 0.70 -0.12 1.08 2.03 -1.92 0.15 116.42 118.34 1mdk h ASP 64 Ca 0.00 -0.54 -0.15 0.00 -0.73 0.00 0.00 57.03 55.62 1mdk h ASP 64 Cb 0.45 -0.20 0.01 0.00 -0.83 0.00 0.00 39.33 38.76 1mdk h ASP 64 CO 0.00 1.10 -0.50 0.58 -1.03 0.00 0.00 179.24 179.39 1mdk h VAL 65 N 0.32 1.36 -0.47 4.15 2.07 -1.40 -1.95 116.25 120.32 1mdk h VAL 65 Ca 0.01 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1mdk h VAL 65 Cb 0.97 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1mdk h VAL 65 CO 0.09 0.55 0.16 0.00 0.02 0.00 0.00 177.57 178.39 1mdk h ALA 66 N 0.49 1.41 -0.22 1.67 0.00 -1.53 0.55 119.26 121.63 1mdk h ALA 66 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1mdk h ALA 66 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1mdk h ALA 66 CO 0.10 0.44 0.05 0.77 0.00 0.00 0.00 179.25 180.62 1mdk h SER 67 N 0.67 0.33 -0.73 0.00 0.02 -0.57 1.35 113.55 114.63 1mdk h SER 67 Ca 0.16 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1mdk h SER 67 Cb 0.18 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1mdk h SER 67 CO -0.01 0.48 0.26 -0.08 -1.14 0.00 0.00 176.83 176.34 1mdk h GLU 68 N 0.16 1.12 -0.01 3.45 4.22 -0.79 -1.89 114.58 120.85 1mdk h GLU 68 Ca 0.07 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1mdk h GLU 68 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1mdk h GLU 68 CO 0.00 0.93 -0.13 0.00 -2.18 0.00 0.00 179.01 177.64 1mdk n ALA 69 N -2.44 2.83 -3.93 2.92 0.00 0.14 -4.95 120.51 115.08 1mdk n ALA 69 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 1mdk n ALA 69 Cb 0.21 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1mdk n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mdk n GLU 70 N -0.49 -2.43 -2.73 0.00 -0.58 0.46 -4.90 120.64 109.96 1mdk n GLU 70 Ca 0.15 0.37 -0.41 0.00 -0.42 0.00 0.00 57.16 56.86 1mdk n GLU 70 Cb 0.32 -4.22 -0.05 0.00 -0.57 0.00 0.00 31.44 26.93 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 -3.85 4.37 0.00 2.62 1.01 -0.73 -4.92 120.40 118.91 1mdk s VAL 71 Ca 0.15 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.20 1mdk s VAL 71 Cb -0.06 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1mdk s VAL 71 CO 0.90 0.37 0.45 0.29 0.00 0.00 0.00 175.10 177.10 1mdk n LYS 72 N 2.42 0.28 -3.71 2.72 5.02 -1.26 -4.95 118.16 118.68 1mdk n LYS 72 Ca 0.01 -0.54 -0.12 0.00 -2.02 0.00 0.00 58.31 55.64 1mdk n LYS 72 Cb 0.49 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.20 -1.12 0.14 7.82 0.00 -1.26 -5.17 121.76 121.97 1mdk s ALA 73 Ca 0.00 1.40 0.10 0.00 0.00 0.00 0.00 51.96 53.46 1mdk s ALA 73 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1mdk s ALA 73 CO 0.00 -0.24 -0.23 0.95 0.00 0.00 0.00 175.76 176.24 1mdk s THR 74 N 0.68 2.50 0.37 0.00 -4.23 -1.26 -3.77 115.64 109.94 1mdk s THR 74 Ca -0.04 -1.71 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 1mdk s THR 74 Cb -0.05 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 71.55 1mdk s THR 74 CO -0.05 0.06 0.99 -2.16 -0.54 0.00 0.00 174.62 172.92 1mdk s PRO 75 N -2.21 4.34 -0.28 3.99 0.04 -1.26 -4.76 135.00 134.87 1mdk s PRO 75 Ca 0.17 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1mdk s PRO 75 Cb -0.10 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1mdk s PRO 75 CO 0.08 0.04 -0.02 0.99 0.04 0.00 0.00 177.00 178.13 1mdk s THR 76 N -1.72 2.99 -0.37 1.26 2.01 -1.19 -2.98 115.64 115.64 1mdk s THR 76 Ca 0.55 -1.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 1mdk s THR 76 Cb -0.19 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1mdk s THR 76 CO 0.24 0.03 0.57 -0.36 -0.69 0.00 0.00 174.62 174.42 1mdk s PHE 77 N 1.30 3.15 -0.05 4.92 0.08 -0.66 -2.65 117.98 124.06 1mdk s PHE 77 Ca -0.03 0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.24 1mdk s PHE 77 Cb -0.18 -3.07 -0.02 0.00 -0.57 0.00 0.00 43.02 39.18 1mdk s PHE 77 CO -0.02 -0.63 -0.18 -0.65 -0.10 0.00 0.00 175.22 173.64 1mdk s GLN 78 N 2.56 2.50 -0.17 0.44 -0.21 -1.11 -0.52 119.66 123.15 1mdk s GLN 78 Ca 0.21 -0.76 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1mdk s GLN 78 Cb -0.15 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 1mdk s GLN 78 CO 0.15 0.55 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.77 1mdk s PHE 79 N -0.56 2.98 0.22 0.91 0.40 -0.11 -0.73 117.98 121.10 1mdk s PHE 79 Ca 0.08 -0.48 0.11 0.00 -0.60 0.00 0.00 56.93 56.04 1mdk s PHE 79 Cb -0.11 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 1mdk s PHE 79 CO 0.01 -0.19 -0.21 -0.06 0.70 0.00 0.00 175.22 175.48 1mdk s PHE 80 N 0.68 2.16 -0.24 0.36 0.08 0.40 -1.94 117.98 119.48 1mdk s PHE 80 Ca -0.02 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1mdk s PHE 80 Cb -0.15 -1.01 0.09 0.00 -0.57 0.00 0.00 43.02 41.39 1mdk s PHE 80 CO 0.02 0.54 0.53 0.21 -0.10 0.00 0.00 175.22 176.43 1mdk s LYS 81 N -3.11 0.48 -1.49 0.44 2.20 0.19 -2.15 119.74 116.30 1mdk s LYS 81 Ca 0.24 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1mdk s LYS 81 Cb -0.06 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1mdk s LYS 81 CO 0.11 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.53 1mdk n LYS 82 N 5.02 -1.53 -0.21 4.03 5.02 -1.26 -0.06 118.16 129.17 1mdk n LYS 82 Ca -0.14 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1mdk n LYS 82 Cb 0.52 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 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 -0.07 0.61 3.61 0.72 0.00 -1.26 -4.98 105.19 103.82 1mdk n GLY 83 Ca -0.14 0.00 -0.29 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 -0.79 2.25 0.14 1.61 -1.52 0.92 -5.10 119.66 117.17 1mdk s GLN 84 Ca 0.00 -1.02 -0.23 0.00 -1.95 0.00 0.00 55.36 52.16 1mdk s GLN 84 Cb 0.00 -2.35 -0.08 0.00 -0.22 0.00 0.00 33.01 30.37 1mdk s GLN 84 CO 0.00 0.50 0.70 0.21 -0.25 0.00 0.00 175.29 176.45 1mdk s LYS 85 N -2.40 4.42 0.00 2.91 2.20 -1.26 0.52 119.74 126.13 1mdk s LYS 85 Ca 0.24 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1mdk s LYS 85 Cb -0.11 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1mdk s LYS 85 CO 0.16 0.59 0.09 1.33 -0.36 0.00 0.00 175.35 177.15 1mdk n VAL 86 N 1.59 0.00 0.00 4.02 0.24 -0.82 -4.92 118.33 118.45 1mdk n VAL 86 Ca -0.07 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1mdk n VAL 86 Cb 0.49 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1mdk n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdk n GLY 87 N 0.43 0.75 3.60 7.63 0.00 -1.25 -5.02 105.19 111.34 1mdk n GLY 87 Ca 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 1mdk n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mdk s GLU 88 N -2.00 0.34 -0.29 1.61 -1.05 -1.26 -0.93 118.70 115.12 1mdk s GLU 88 Ca 0.00 0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.65 1mdk s GLU 88 Cb 0.00 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1mdk s GLU 88 CO 0.00 -0.12 1.01 -0.59 0.95 0.00 0.00 175.26 176.51 1mdk s PHE 89 N -1.53 -0.52 0.00 4.83 -0.12 0.32 -5.00 117.98 115.96 1mdk s PHE 89 Ca 0.05 1.08 0.00 0.00 -0.05 0.00 0.00 56.93 58.01 1mdk s PHE 89 Cb -0.01 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1mdk s PHE 89 CO -0.04 -0.26 0.00 -1.13 -0.05 0.00 0.00 175.22 173.75 1mdk n SER 90 N 3.31 0.42 -0.17 1.98 3.41 -1.26 -1.66 113.62 119.66 1mdk n SER 90 Ca -0.17 -0.23 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 -3.25 3.54 5.00 0.00 -1.16 -4.64 105.19 109.68 1mdk n GLY 91 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.82 0.62 -3.20 4.61 0.00 -1.26 -4.76 120.51 115.70 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 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.31 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 15.54 0.85 -0.26 0.00 4.05 -1.26 -4.96 115.26 129.22 1mdk n ASN 93 Ca 0.45 -2.89 -0.03 0.00 0.45 0.00 0.00 54.58 52.56 1mdk n ASN 93 Cb 0.43 -0.63 0.13 0.00 1.23 0.00 0.00 39.78 40.94 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 3.68 1.11 0.00 1.20 2.10 -1.98 -2.16 116.57 120.51 1mdk h LYS 94 Ca 0.09 -0.16 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 1mdk h LYS 94 Cb 0.87 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 1mdk h LYS 94 CO 0.52 0.86 -0.20 0.93 -2.00 0.00 0.00 179.45 179.55 1mdk h GLU 95 N 1.10 0.00 -0.14 0.07 5.08 -2.00 -2.18 114.58 116.52 1mdk h GLU 95 Ca 0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1mdk h GLU 95 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1mdk h GLU 95 CO -0.03 0.20 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.60 1mdk h LYS 96 N 0.00 0.28 -0.96 2.33 3.64 -1.81 -2.55 116.57 117.50 1mdk h LYS 96 Ca -0.00 -0.12 0.21 0.00 -1.27 0.00 0.00 60.65 59.46 1mdk h LYS 96 Cb 0.44 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.16 1mdk h LYS 96 CO 0.03 0.60 0.62 -0.07 -2.27 0.00 0.00 179.45 178.36 1mdk h LEU 97 N 0.24 0.55 0.67 5.20 3.38 -1.34 0.30 115.31 124.32 1mdk h LEU 97 Ca 0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.75 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1mdk h LEU 97 CO 0.06 0.20 -0.32 -0.08 0.09 0.00 0.00 178.44 178.38 1mdk h GLU 98 N 0.54 -0.87 -0.96 1.13 4.57 -1.57 -0.61 114.58 116.80 1mdk h GLU 98 Ca 0.52 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.80 1mdk h GLU 98 Cb 1.12 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1mdk h GLU 98 CO -0.26 -0.57 0.63 0.00 -1.18 0.00 0.00 179.01 177.63 1mdk h ALA 99 N -1.18 1.37 -0.24 2.92 0.00 -1.41 -1.11 119.26 119.61 1mdk h ALA 99 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mdk h ALA 99 Cb 0.70 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1mdk h ALA 99 CO 0.15 0.54 -0.08 1.15 0.00 0.00 0.00 179.25 181.01 1mdk h THR 100 N 1.22 1.29 0.11 0.00 2.02 -0.43 -2.01 112.91 115.11 1mdk h THR 100 Ca 0.38 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1mdk h THR 100 Cb -0.01 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1mdk h THR 100 CO -0.11 0.35 -0.05 0.40 0.37 0.00 0.00 175.52 176.47 1mdk h ILE 101 N 0.21 0.97 0.00 3.11 2.04 -0.80 -1.52 117.51 121.53 1mdk h ILE 101 Ca 0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1mdk h ILE 101 Cb 0.56 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1mdk h ILE 101 CO 0.03 0.07 0.00 -1.13 0.00 0.00 0.00 178.15 177.12 1mdk h ASN 102 N -0.28 0.00 0.18 1.72 -0.73 -1.22 0.29 115.58 115.55 1mdk h ASN 102 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1mdk h ASN 102 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1mdk h ASN 102 CO 0.02 0.00 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.92 1mdk h GLU 103 N 0.00 -0.23 -0.77 6.67 4.81 -0.50 -3.33 114.58 121.23 1mdk h GLU 103 Ca 0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1mdk h GLU 103 Cb 0.03 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1mdk h GLU 103 CO 0.00 -0.16 0.06 1.28 -0.73 0.00 0.00 179.01 179.46 1mdk n LEU 104 N -4.59 4.27 0.00 1.64 4.77 -1.02 -5.11 117.00 116.96 1mdk n LEU 104 Ca -0.03 -2.18 0.02 0.00 -0.03 0.00 0.00 56.01 53.79 1mdk n LEU 104 Cb 0.10 -0.64 0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1mdk n LEU 104 CO 0.07 0.54 0.35 0.55 -1.33 0.00 0.00 177.39 177.57