#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5mdh s GLU 2 N 0.00 3.27 0.49 1.43 0.41 -1.26 -4.64 118.70 118.41 5mdh s GLU 2 Ca 0.00 1.56 -0.23 0.00 -0.41 0.00 0.00 54.97 55.89 5mdh s GLU 2 Cb 0.00 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.29 5mdh s GLU 2 CO 0.00 -0.90 1.26 -1.25 -0.49 0.00 0.00 175.26 173.88 5mdh s PRO 3 N -3.44 3.52 0.00 0.39 0.04 -1.26 -4.74 135.00 129.51 5mdh s PRO 3 Ca 0.71 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.76 5mdh s PRO 3 Cb -0.23 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 5mdh s PRO 3 CO 0.29 -0.82 0.09 0.96 0.04 0.00 0.00 177.00 177.57 5mdh s ILE 4 N -1.42 4.76 -0.34 0.56 -4.36 -0.79 -4.88 121.20 114.73 5mdh s ILE 4 Ca 0.66 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 60.52 5mdh s ILE 4 Cb -0.34 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.18 5mdh s ILE 4 CO 0.41 0.32 0.19 -0.60 0.24 0.00 0.00 174.94 175.51 5mdh s ARG 5 N -1.82 3.16 -0.18 0.37 3.52 -1.26 -0.26 118.95 122.47 5mdh s ARG 5 Ca 0.24 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 5mdh s ARG 5 Cb -0.12 -3.67 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 5mdh s ARG 5 CO 0.15 -0.53 -0.18 0.08 -0.81 0.00 0.00 175.30 174.00 5mdh s VAL 6 N 1.61 2.19 -0.07 7.11 1.01 -0.64 -0.18 120.40 131.43 5mdh s VAL 6 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 5mdh s VAL 6 Cb -0.18 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 5mdh s VAL 6 CO 0.07 0.52 0.04 -0.22 0.00 0.00 0.00 175.10 175.51 5mdh s LEU 7 N 1.31 3.76 -0.14 3.92 2.96 -0.76 -0.92 118.68 128.80 5mdh s LEU 7 Ca 0.05 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 5mdh s LEU 7 Cb -0.13 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.65 5mdh s LEU 7 CO -0.12 0.36 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 5mdh s VAL 8 N -0.97 1.07 0.50 1.68 1.01 -0.72 -0.16 120.40 122.81 5mdh s VAL 8 Ca 0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 5mdh s VAL 8 Cb -0.12 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 5mdh s VAL 8 CO 0.05 0.24 0.76 0.42 0.00 0.00 0.00 175.10 176.56 5mdh s THR 9 N 1.67 4.03 -1.45 3.92 -4.23 -0.48 -2.34 115.64 116.76 5mdh s THR 9 Ca 0.03 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 5mdh s THR 9 Cb -0.14 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.22 5mdh s THR 9 CO -0.08 -0.45 1.04 0.61 -0.54 0.00 0.00 174.62 175.20 5mdh n GLY 10 N -2.26 -0.50 0.12 3.99 0.00 -0.13 -3.35 105.19 103.07 5mdh n GLY 10 Ca 0.02 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.35 5mdh n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5mdh n ALA 11 N -4.76 1.35 1.18 4.61 0.00 -0.15 -1.31 120.51 121.44 5mdh n ALA 11 Ca -0.00 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.67 5mdh n ALA 11 Cb 0.55 -1.31 0.36 0.00 0.00 0.00 0.00 19.45 19.06 5mdh n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5mdh n ALA 12 N -1.72 2.52 -2.02 0.00 0.00 -1.26 -4.52 120.51 113.51 5mdh n ALA 12 Ca 0.01 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.66 5mdh n ALA 12 Cb 0.12 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.62 5mdh n ALA 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 5mdh s GLY 13 N -1.83 1.73 0.11 0.00 0.00 -0.43 -4.93 107.32 101.98 5mdh s GLY 13 Ca 0.34 -2.04 -0.28 0.00 0.00 0.00 0.00 44.72 42.75 5mdh s GLY 13 CO 0.31 -1.53 1.64 -1.61 0.00 0.00 0.00 173.10 171.91 5mdh h GLN 14 N -0.08 -0.48 0.10 2.90 4.15 -1.93 -0.99 115.11 118.78 5mdh h GLN 14 Ca -0.31 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.16 5mdh h GLN 14 Cb 1.28 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.05 5mdh h GLN 14 CO 0.40 -0.32 -0.22 0.82 -1.93 0.00 0.00 178.83 177.58 5mdh h ILE 15 N -0.50 0.50 -0.44 2.39 2.04 -1.88 -1.78 117.51 117.83 5mdh h ILE 15 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 5mdh h ILE 15 Cb 0.49 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 5mdh h ILE 15 CO -0.11 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.19 5mdh h ALA 16 N 0.38 0.52 -0.58 1.87 0.00 -1.81 -0.87 119.26 118.78 5mdh h ALA 16 Ca 0.03 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.17 5mdh h ALA 16 Cb 0.44 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 5mdh h ALA 16 CO -0.14 -0.25 0.43 -0.92 0.00 0.00 0.00 179.25 178.37 5mdh h TYR 17 N 0.31 0.00 -0.01 0.00 3.20 -0.75 0.20 116.97 119.92 5mdh h TYR 17 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 5mdh h TYR 17 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.48 5mdh h TYR 17 CO -0.16 0.00 -0.23 0.43 -1.64 0.00 0.00 178.16 176.55 5mdh n SER 18 N -4.30 1.02 -0.01 -2.11 7.64 -0.39 -4.47 113.62 110.99 5mdh n SER 18 Ca 0.11 -0.90 -0.02 0.00 1.01 0.00 0.00 58.87 59.07 5mdh n SER 18 Cb 0.66 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 5mdh n SER 18 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 5mdh n LEU 19 N -0.62 1.04 -0.36 -3.43 7.94 0.55 -4.76 117.00 117.37 5mdh n LEU 19 Ca 0.13 -0.01 0.01 0.00 -1.11 0.00 0.00 56.01 55.03 5mdh n LEU 19 Cb 0.34 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.46 5mdh n LEU 19 CO 0.25 0.23 1.28 -0.07 -1.11 0.00 0.00 177.39 177.97 5mdh h LEU 20 N 0.00 1.06 -0.49 -1.96 3.38 -1.41 -2.48 115.31 113.42 5mdh h LEU 20 Ca -0.07 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.95 5mdh h LEU 20 Cb 1.14 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 5mdh h LEU 20 CO -0.00 0.73 0.18 0.22 0.09 0.00 0.00 178.44 179.66 5mdh h TYR 21 N 1.23 0.32 0.00 1.13 3.20 -1.85 -1.60 116.97 119.40 5mdh h TYR 21 Ca 0.39 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 5mdh h TYR 21 Cb 0.01 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 5mdh h TYR 21 CO -0.00 0.11 -0.19 0.77 -1.64 0.00 0.00 178.16 177.21 5mdh h SER 22 N 0.36 0.00 -0.00 -2.11 0.02 -1.75 -1.08 113.55 108.99 5mdh h SER 22 Ca 0.23 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 5mdh h SER 22 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 5mdh h SER 22 CO -0.23 0.19 -0.01 0.40 -1.14 0.00 0.00 176.83 176.03 5mdh h ILE 23 N 0.00 1.58 0.00 3.27 2.04 -1.18 -3.14 117.51 120.09 5mdh h ILE 23 Ca -0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.11 5mdh h ILE 23 Cb 0.34 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 5mdh h ILE 23 CO 0.02 0.45 -0.12 1.23 0.00 0.00 0.00 178.15 179.73 5mdh h GLY 24 N -0.72 0.00 1.27 5.37 0.00 -1.27 -2.34 103.07 105.38 5mdh h GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 5mdh h GLY 24 CO 0.00 0.00 -0.04 1.16 0.00 0.00 0.00 176.54 177.66 5mdh n ASN 25 N -4.27 0.17 0.00 0.19 0.23 -0.42 -4.35 115.26 106.82 5mdh n ASN 25 Ca -0.03 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.65 5mdh n ASN 25 Cb 0.20 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 5mdh n ASN 25 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 5mdh n GLY 26 N 1.26 0.75 0.02 4.83 0.00 -0.88 -4.85 105.19 106.32 5mdh n GLY 26 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 5mdh n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5mdh n SER 27 N 0.00 0.05 0.01 1.61 3.41 -1.19 -1.87 113.62 115.64 5mdh n SER 27 Ca 0.00 -1.10 -0.02 0.00 -0.26 0.00 0.00 58.87 57.49 5mdh n SER 27 Cb 0.00 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 5mdh n SER 27 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 5mdh n VAL 28 N -0.92 1.01 1.02 -3.33 0.31 -1.25 -4.83 118.33 110.35 5mdh n VAL 28 Ca 0.22 0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.95 5mdh n VAL 28 Cb 0.11 -1.64 0.16 0.00 -0.91 0.00 0.00 33.84 31.56 5mdh n VAL 28 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 5mdh n PHE 29 N -3.47 0.00 0.00 3.52 3.72 -1.26 -4.49 117.46 115.49 5mdh n PHE 29 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 5mdh n PHE 29 Cb 0.11 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 5mdh n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5mdh n GLY 30 N 1.48 4.21 0.33 1.37 0.00 -0.78 -4.69 105.19 107.10 5mdh n GLY 30 Ca 0.06 -1.13 0.18 0.00 0.00 0.00 0.00 46.02 45.13 5mdh n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5mdh h LYS 31 N 0.00 0.00 -0.11 1.61 1.57 -1.84 -1.88 116.57 115.92 5mdh h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 5mdh h LYS 31 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 5mdh h LYS 31 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 5mdh n ASP 32 N -3.51 2.20 -4.44 0.86 8.00 -1.26 -4.93 116.55 113.46 5mdh n ASP 32 Ca -0.02 -1.61 -0.44 0.00 0.71 0.00 0.00 54.79 53.43 5mdh n ASP 32 Cb 0.18 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 5mdh n ASP 32 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 5mdh s GLN 33 N -0.94 3.13 0.53 -1.24 2.00 -0.71 -4.60 119.66 117.84 5mdh s GLN 33 Ca 0.16 -0.89 -0.22 0.00 -2.00 0.00 0.00 55.36 52.41 5mdh s GLN 33 Cb 0.10 -4.14 -0.05 0.00 0.80 0.00 0.00 33.01 29.72 5mdh s GLN 33 CO 0.14 -1.38 1.31 -2.14 -0.50 0.00 0.00 175.29 172.72 5mdh s PRO 34 N 2.96 3.24 -0.07 1.67 0.02 -1.26 -4.78 135.00 136.77 5mdh s PRO 34 Ca 0.17 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.35 5mdh s PRO 34 Cb -0.19 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.07 5mdh s PRO 34 CO 0.11 -1.07 -0.20 0.42 -0.33 0.00 0.00 177.00 175.93 5mdh s ILE 35 N -1.37 1.70 -0.41 2.83 -1.09 -0.22 -1.89 121.20 120.76 5mdh s ILE 35 Ca 0.71 -0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 58.14 5mdh s ILE 35 Cb -0.37 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.05 5mdh s ILE 35 CO 0.44 0.48 0.35 -0.63 -1.23 0.00 0.00 174.94 174.35 5mdh s ILE 36 N 0.29 5.20 -0.19 2.92 1.01 0.64 -1.02 121.20 130.06 5mdh s ILE 36 Ca -0.13 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 5mdh s ILE 36 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 5mdh s ILE 36 CO 0.06 -0.34 0.40 -0.22 0.00 0.00 0.00 174.94 174.83 5mdh s LEU 37 N 1.85 4.18 -0.09 2.97 0.20 -0.35 -1.62 118.68 125.82 5mdh s LEU 37 Ca 0.08 0.55 0.02 0.00 0.69 0.00 0.00 54.13 55.47 5mdh s LEU 37 Cb -0.18 -2.52 -0.02 0.00 -0.43 0.00 0.00 46.19 43.04 5mdh s LEU 37 CO 0.11 -0.05 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.29 5mdh s VAL 38 N 1.12 2.96 -0.27 1.68 1.01 -0.09 -0.54 120.40 126.27 5mdh s VAL 38 Ca 0.20 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.45 5mdh s VAL 38 Cb -0.15 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.12 5mdh s VAL 38 CO 0.08 0.56 0.03 -0.76 0.00 0.00 0.00 175.10 175.00 5mdh s LEU 39 N -0.16 2.61 -0.08 3.92 1.02 0.20 -1.76 118.68 124.43 5mdh s LEU 39 Ca -0.01 -1.44 -0.04 0.00 0.02 0.00 0.00 54.13 52.66 5mdh s LEU 39 Cb -0.13 -1.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 5mdh s LEU 39 CO 0.03 -0.33 0.10 -0.22 0.02 0.00 0.00 176.35 175.95 5mdh s LEU 40 N 1.46 4.10 0.00 1.79 2.96 -0.99 -0.77 118.68 127.24 5mdh s LEU 40 Ca 0.03 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 5mdh s LEU 40 Cb -0.18 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.41 5mdh s LEU 40 CO -0.13 0.36 0.24 -0.67 -1.32 0.00 0.00 176.35 174.83 5mdh n ASP 41 N 1.73 -0.57 -4.88 3.68 -0.08 -1.04 -0.95 116.55 114.44 5mdh n ASP 41 Ca -0.17 -1.36 -0.30 0.00 -1.51 0.00 0.00 54.79 51.44 5mdh n ASP 41 Cb 0.54 0.94 -0.03 0.00 2.34 0.00 0.00 41.12 44.91 5mdh n ASP 41 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 5mdh s ILE 42 N -2.63 4.86 0.24 5.18 -4.36 -1.26 -4.12 121.20 119.11 5mdh s ILE 42 Ca 0.05 0.47 -0.10 0.00 -0.26 0.00 0.00 60.65 60.80 5mdh s ILE 42 Cb -0.01 -3.72 0.36 0.00 1.25 0.00 0.00 42.46 40.33 5mdh s ILE 42 CO 0.03 -0.42 1.44 0.41 0.24 0.00 0.00 174.94 176.63 5mdh n THR 43 N -1.09 -0.42 0.50 8.37 -1.04 -1.26 -0.59 114.28 118.75 5mdh n THR 43 Ca 0.01 2.13 0.07 0.00 -2.04 0.00 0.00 64.05 64.22 5mdh n THR 43 Cb 0.54 -2.90 0.31 0.00 -1.82 0.00 0.00 70.33 66.46 5mdh n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 5mdh n PRO 44 N -5.45 0.02 -0.16 -2.82 -0.04 -1.26 -2.23 135.00 123.05 5mdh n PRO 44 Ca 0.13 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 5mdh n PRO 44 Cb 0.43 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 5mdh n PRO 44 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 5mdh n MET 45 N -1.48 2.40 0.12 0.54 2.81 0.24 -4.54 117.12 117.21 5mdh n MET 45 Ca 0.04 -2.11 0.01 0.00 -1.81 0.00 0.00 57.70 53.83 5mdh n MET 45 Cb 0.16 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.52 5mdh n MET 45 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 5mdh h MET 46 N 4.23 0.20 -0.10 0.03 2.86 -1.48 -2.24 114.93 118.44 5mdh h MET 46 Ca 0.00 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 5mdh h MET 46 Cb 0.93 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 5mdh h MET 46 CO 0.00 0.44 -0.39 0.78 1.06 0.00 0.00 176.91 178.80 5mdh h GLY 47 N 0.91 0.23 0.93 8.32 0.00 -1.83 -2.67 103.07 108.96 5mdh h GLY 47 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 5mdh h GLY 47 CO 0.04 0.19 0.03 -2.08 0.00 0.00 0.00 176.54 174.72 5mdh h VAL 48 N 0.18 1.25 -0.34 4.60 2.07 -1.72 -2.85 116.25 119.43 5mdh h VAL 48 Ca 0.02 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.69 5mdh h VAL 48 Cb 0.77 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 5mdh h VAL 48 CO 0.06 0.31 -0.21 0.25 0.02 0.00 0.00 177.57 178.00 5mdh h LEU 49 N 0.47 -0.70 -1.44 2.57 5.85 -1.20 0.20 115.31 121.06 5mdh h LEU 49 Ca 0.11 0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.18 5mdh h LEU 49 Cb 0.42 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 5mdh h LEU 49 CO 0.01 -0.24 0.60 0.44 -0.34 0.00 0.00 178.44 178.91 5mdh h ASP 50 N -0.17 0.46 -0.37 1.25 3.32 -1.36 0.16 116.42 119.71 5mdh h ASP 50 Ca 0.17 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 5mdh h ASP 50 Cb 0.43 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 5mdh h ASP 50 CO -0.44 0.18 -0.12 1.23 -1.72 0.00 0.00 179.24 178.37 5mdh h GLY 51 N 0.46 0.80 1.05 2.75 0.00 -0.41 -2.43 103.07 105.29 5mdh h GLY 51 Ca 0.49 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 5mdh h GLY 51 CO -0.21 0.62 0.56 -2.08 0.00 0.00 0.00 176.54 175.43 5mdh h VAL 52 N 0.54 1.25 -0.48 4.60 2.07 0.25 -1.84 116.25 122.64 5mdh h VAL 52 Ca 0.09 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 5mdh h VAL 52 Cb 0.64 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 5mdh h VAL 52 CO 0.04 0.27 0.18 -0.07 0.02 0.00 0.00 177.57 178.01 5mdh h LEU 53 N 1.28 0.68 -1.10 2.57 3.38 -0.68 0.81 115.31 122.26 5mdh h LEU 53 Ca 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 5mdh h LEU 53 Cb -0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 5mdh h LEU 53 CO -0.06 0.68 0.39 0.24 0.09 0.00 0.00 178.44 179.78 5mdh h MET 54 N 0.64 1.02 -0.41 1.13 2.86 -1.16 -0.90 114.93 118.11 5mdh h MET 54 Ca 0.16 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 5mdh h MET 54 Cb 0.23 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 5mdh h MET 54 CO -0.01 0.75 -0.16 0.93 1.06 0.00 0.00 176.91 179.48 5mdh h GLU 55 N 1.02 0.78 -0.77 1.72 5.08 -0.60 -1.11 114.58 120.70 5mdh h GLU 55 Ca 0.26 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 5mdh h GLU 55 Cb 0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 5mdh h GLU 55 CO -0.04 0.89 0.32 -0.07 -1.00 0.00 0.00 179.01 179.12 5mdh h LEU 56 N 0.69 1.04 -1.48 1.33 3.38 0.45 -1.12 115.31 119.61 5mdh h LEU 56 Ca 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 5mdh h LEU 56 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 5mdh h LEU 56 CO 0.05 0.92 -0.15 1.56 0.09 0.00 0.00 178.44 180.90 5mdh h GLN 57 N 1.10 0.15 -0.00 1.13 4.20 -0.94 -1.94 115.11 118.80 5mdh h GLN 57 Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 5mdh h GLN 57 Cb 0.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 5mdh h GLN 57 CO -0.02 0.31 -0.07 -0.25 -0.67 0.00 0.00 178.83 178.12 5mdh n ASP 58 N -4.29 0.39 -0.75 1.46 8.00 -0.45 -3.35 116.55 117.56 5mdh n ASP 58 Ca -0.01 -0.61 0.13 0.00 0.71 0.00 0.00 54.79 55.01 5mdh n ASP 58 Cb 0.26 -0.09 0.31 0.00 -0.02 0.00 0.00 41.12 41.58 5mdh n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5mdh n ALA 60 N 0.79 -2.38 -3.91 0.00 0.00 -1.21 -5.00 120.51 108.80 5mdh n ALA 60 Ca 0.17 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 5mdh n ALA 60 Cb 0.47 -4.21 -0.13 0.00 0.00 0.00 0.00 19.45 15.59 5mdh n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 5mdh s LEU 61 N -4.81 4.57 0.45 0.00 1.43 -1.26 -4.95 118.68 114.12 5mdh s LEU 61 Ca 0.30 -3.27 0.21 0.00 -1.03 0.00 0.00 54.13 50.34 5mdh s LEU 61 Cb -0.04 -1.67 1.07 0.00 0.03 0.00 0.00 46.19 45.58 5mdh s LEU 61 CO 0.69 -0.20 1.93 1.55 0.23 0.00 0.00 176.35 180.55 5mdh h PRO 62 N 6.20 0.00 0.00 1.29 0.13 -1.95 -2.60 132.00 135.08 5mdh h PRO 62 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 5mdh h PRO 62 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 5mdh h PRO 62 CO 0.71 0.24 0.00 -0.07 -0.23 0.00 0.00 178.00 178.64 5mdh h LEU 63 N 0.00 0.00 -8.21 1.56 3.38 -1.93 -3.38 115.31 106.73 5mdh h LEU 63 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 5mdh h LEU 63 Cb 0.55 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 5mdh h LEU 63 CO 0.03 0.00 1.31 -0.76 0.09 0.00 0.00 178.44 179.11 5mdh s LEU 64 N -4.61 3.36 0.18 1.67 1.43 -0.98 -1.05 118.68 118.68 5mdh s LEU 64 Ca -0.00 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 5mdh s LEU 64 Cb 0.08 -2.57 0.08 0.00 0.03 0.00 0.00 46.19 43.82 5mdh s LEU 64 CO 0.28 -1.69 1.77 0.50 0.23 0.00 0.00 176.35 177.44 5mdh h LYS 65 N 10.05 0.87 -2.55 1.70 3.64 -1.27 -3.46 116.57 125.56 5mdh h LYS 65 Ca 0.01 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 5mdh h LYS 65 Cb 1.03 -0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.52 5mdh h LYS 65 CO 1.36 0.69 0.07 0.34 -2.27 0.00 0.00 179.45 179.65 5mdh s ASP 66 N -5.99 -0.50 -0.21 4.20 2.15 -1.24 -5.04 116.67 110.04 5mdh s ASP 66 Ca -0.13 0.34 -0.02 0.00 0.43 0.00 0.00 52.55 53.17 5mdh s ASP 66 Cb 0.13 0.50 0.06 0.00 -0.30 0.00 0.00 42.92 43.31 5mdh s ASP 66 CO 0.78 -0.68 0.03 -0.69 -0.17 0.00 0.00 175.17 174.44 5mdh s VAL 67 N -2.01 0.74 -0.35 1.11 1.01 -1.26 -1.21 120.40 118.43 5mdh s VAL 67 Ca -0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 5mdh s VAL 67 Cb -0.01 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 5mdh s VAL 67 CO 0.02 -0.24 0.23 -0.63 0.00 0.00 0.00 175.10 174.49 5mdh s ILE 68 N 1.75 5.12 -0.25 2.22 1.01 0.30 -5.00 121.20 126.35 5mdh s ILE 68 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 5mdh s ILE 68 Cb -0.17 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 5mdh s ILE 68 CO -0.09 -0.06 0.16 0.00 0.00 0.00 0.00 174.94 174.95 5mdh s ALA 69 N 1.69 3.55 0.10 9.38 0.00 -1.26 0.59 121.76 135.80 5mdh s ALA 69 Ca 0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 5mdh s ALA 69 Cb -0.18 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.60 5mdh s ALA 69 CO 0.09 -0.32 0.25 -0.08 0.00 0.00 0.00 175.76 175.70 5mdh s THR 70 N 1.31 0.12 -0.14 0.00 -1.32 0.05 -4.96 115.64 110.71 5mdh s THR 70 Ca 0.07 -1.01 0.16 0.00 -1.21 0.00 0.00 61.69 59.71 5mdh s THR 70 Cb -0.14 -1.29 0.29 0.00 -1.51 0.00 0.00 72.50 69.84 5mdh s THR 70 CO 0.07 -0.55 1.17 -0.90 -2.21 0.00 0.00 174.62 172.19 5mdh n ASP 71 N -0.11 2.53 -4.31 8.08 5.75 -1.26 -2.49 116.55 124.74 5mdh n ASP 71 Ca -0.15 -2.92 -0.33 0.00 -0.01 0.00 0.00 54.79 51.38 5mdh n ASP 71 Cb 0.63 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 40.18 5mdh n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 5mdh s LYS 72 N -2.59 3.26 0.28 0.11 1.02 -1.26 -4.83 119.74 115.73 5mdh s LYS 72 Ca 0.29 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 5mdh s LYS 72 Cb 0.25 -2.52 0.40 0.00 -0.52 0.00 0.00 37.83 35.44 5mdh s LYS 72 CO 0.04 0.18 1.93 0.93 -0.92 0.00 0.00 175.35 177.51 5mdh h GLU 73 N 6.77 1.15 -0.53 1.68 5.08 -1.98 -0.77 114.58 125.99 5mdh h GLU 73 Ca -0.24 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 5mdh h GLU 73 Cb 1.22 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 5mdh h GLU 73 CO 0.53 0.76 0.14 0.93 -1.00 0.00 0.00 179.01 180.38 5mdh h GLU 74 N 1.19 0.29 0.04 2.33 3.07 -1.97 -2.38 114.58 117.14 5mdh h GLU 74 Ca 0.37 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 5mdh h GLU 74 Cb -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 5mdh h GLU 74 CO -0.11 0.19 -0.02 0.82 -1.40 0.00 0.00 179.01 178.50 5mdh h ILE 75 N 0.30 1.27 -0.64 3.13 1.08 -1.94 -3.27 117.51 117.44 5mdh h ILE 75 Ca 0.26 -1.72 0.13 0.00 -0.39 0.00 0.00 64.86 63.14 5mdh h ILE 75 Cb 0.34 2.30 -0.10 0.00 -3.07 0.00 0.00 36.82 36.29 5mdh h ILE 75 CO -0.31 0.39 0.11 0.00 -0.69 0.00 0.00 178.15 177.66 5mdh h ALA 76 N -0.15 0.75 -0.01 1.87 0.00 -1.12 -2.94 119.26 117.67 5mdh h ALA 76 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 5mdh h ALA 76 Cb 0.68 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.70 5mdh h ALA 76 CO 0.01 -0.34 -0.29 1.19 0.00 0.00 0.00 179.25 179.82 5mdh n PHE 77 N -5.17 0.00 -1.82 0.00 3.72 -0.90 -4.85 117.46 108.44 5mdh n PHE 77 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 5mdh n PHE 77 Cb 0.37 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 5mdh n PHE 77 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 5mdh s LYS 78 N -2.44 4.17 -1.23 -1.08 2.20 -1.11 -2.34 119.74 117.90 5mdh s LYS 78 Ca 0.24 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 5mdh s LYS 78 Cb 0.19 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 5mdh s LYS 78 CO 0.51 -0.74 0.00 -0.25 -0.36 0.00 0.00 175.35 174.52 5mdh n ASP 79 N 4.80 -3.97 -4.75 1.43 8.00 -0.43 -4.88 116.55 116.75 5mdh n ASP 79 Ca 0.16 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 5mdh n ASP 79 Cb 0.38 -3.46 0.08 0.00 -0.02 0.00 0.00 41.12 38.10 5mdh n ASP 79 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 5mdh s LEU 80 N -5.09 3.23 -0.13 0.64 1.43 -1.23 -4.48 118.68 113.04 5mdh s LEU 80 Ca 0.00 2.05 0.12 0.00 -1.03 0.00 0.00 54.13 55.26 5mdh s LEU 80 Cb 0.00 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.51 5mdh s LEU 80 CO 0.00 -2.02 0.04 0.47 0.23 0.00 0.00 176.35 175.08 5mdh n ASP 81 N -2.94 1.77 -3.91 2.29 8.00 0.75 -2.93 116.55 119.58 5mdh n ASP 81 Ca 0.11 -0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.44 5mdh n ASP 81 Cb 0.52 0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 42.28 5mdh n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 5mdh s VAL 82 N -2.32 0.33 -0.16 2.53 1.01 -0.51 -1.01 120.40 120.28 5mdh s VAL 82 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 5mdh s VAL 82 Cb 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.13 5mdh s VAL 82 CO 0.54 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.71 5mdh s ALA 83 N 0.29 1.43 -0.49 5.51 0.00 0.72 -1.83 121.76 127.40 5mdh s ALA 83 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 5mdh s ALA 83 Cb -0.06 -1.08 0.12 0.00 0.00 0.00 0.00 23.12 22.10 5mdh s ALA 83 CO -0.00 -0.73 0.40 0.42 0.00 0.00 0.00 175.76 175.85 5mdh s ILE 84 N 1.66 4.56 -0.76 0.00 1.01 0.78 0.13 121.20 128.58 5mdh s ILE 84 Ca 0.01 -1.68 -0.18 0.00 0.00 0.00 0.00 60.65 58.81 5mdh s ILE 84 Cb -0.15 -3.96 0.14 0.00 0.01 0.00 0.00 42.46 38.50 5mdh s ILE 84 CO -0.08 -0.80 0.87 -0.76 0.00 0.00 0.00 174.94 174.17 5mdh s LEU 85 N 1.45 5.53 -0.21 2.97 1.43 0.41 -1.39 118.68 128.88 5mdh s LEU 85 Ca 0.05 -1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 51.23 5mdh s LEU 85 Cb -0.27 -2.32 -0.12 0.00 0.03 0.00 0.00 46.19 43.51 5mdh s LEU 85 CO 0.01 -1.00 -0.22 0.52 0.23 0.00 0.00 176.35 175.89 5mdh n VAL 86 N 5.20 1.18 -1.18 -1.59 0.31 -1.26 -1.75 118.33 119.24 5mdh n VAL 86 Ca 0.07 -0.40 -0.51 0.00 -0.01 0.00 0.00 64.34 63.49 5mdh n VAL 86 Cb 0.46 -1.43 -0.09 0.00 -0.91 0.00 0.00 33.84 31.87 5mdh n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 5mdh n GLY 87 N 2.21 -0.00 3.63 2.92 0.00 -1.21 -4.17 105.19 108.57 5mdh n GLY 87 Ca -0.39 0.86 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 5mdh n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5mdh s SER 88 N 3.79 -0.05 -0.21 1.61 0.15 -1.26 -4.81 113.70 112.92 5mdh s SER 88 Ca 0.91 0.00 -0.26 0.00 0.70 0.00 0.00 55.95 57.30 5mdh s SER 88 Cb -1.20 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 5mdh s SER 88 CO 0.58 -0.08 0.89 -0.32 1.20 0.00 0.00 173.24 175.51 5mdh s MET 89 N -2.12 4.26 0.52 5.44 -2.45 -1.26 -5.04 119.30 118.63 5mdh s MET 89 Ca 0.11 1.10 -0.18 0.00 -1.25 0.00 0.00 55.69 55.47 5mdh s MET 89 Cb -0.01 -3.61 -0.07 0.00 1.25 0.00 0.00 34.83 32.38 5mdh s MET 89 CO -0.03 -0.47 1.01 -1.25 1.05 0.00 0.00 175.02 175.34 5mdh s PRO 90 N 2.64 3.78 0.74 4.11 0.04 -1.26 -4.79 135.00 140.25 5mdh s PRO 90 Ca 0.39 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 5mdh s PRO 90 Cb -0.16 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.37 5mdh s PRO 90 CO 0.09 -0.43 1.06 -0.98 0.04 0.00 0.00 177.00 176.79 5mdh s ARG 91 N -3.71 1.93 0.34 4.56 1.70 -1.26 -5.09 118.95 117.42 5mdh s ARG 91 Ca 0.63 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 55.58 5mdh s ARG 91 Cb -0.13 -2.13 -0.06 0.00 -0.57 0.00 0.00 34.95 32.05 5mdh s ARG 91 CO 0.27 -1.43 0.06 -0.98 -1.08 0.00 0.00 175.30 172.14 5mdh s ARG 92 N -5.34 1.70 -0.27 3.89 1.70 -1.26 -4.80 118.95 114.56 5mdh s ARG 92 Ca 0.63 -1.95 -0.38 0.00 -0.47 0.00 0.00 55.73 53.56 5mdh s ARG 92 Cb -0.09 -0.92 -0.14 0.00 -0.57 0.00 0.00 34.95 33.23 5mdh s ARG 92 CO 0.46 -0.19 1.91 -3.47 -1.08 0.00 0.00 175.30 172.92 5mdh n ASP 93 N -0.74 2.46 0.00 -2.89 2.03 -1.26 -1.14 116.55 115.01 5mdh n ASP 93 Ca -0.03 0.86 0.00 0.00 0.52 0.00 0.00 54.79 56.15 5mdh n ASP 93 Cb 0.67 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 5mdh n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 5mdh n GLY 94 N 5.00 2.26 3.87 0.27 0.00 -1.26 -5.09 105.19 110.24 5mdh n GLY 94 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 5mdh n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 5mdh s MET 95 N -0.36 3.74 0.58 1.61 -1.94 -0.29 -5.10 119.30 117.53 5mdh s MET 95 Ca 0.00 0.13 -0.06 0.00 -1.71 0.00 0.00 55.69 54.05 5mdh s MET 95 Cb 0.00 -2.92 0.00 0.00 2.01 0.00 0.00 34.83 33.92 5mdh s MET 95 CO 0.00 0.51 0.89 -1.21 -0.01 0.00 0.00 175.02 175.20 5mdh s GLU 96 N -2.20 3.03 0.47 2.03 2.02 -1.26 -4.81 118.70 117.97 5mdh s GLU 96 Ca 0.37 0.06 0.12 0.00 0.02 0.00 0.00 54.97 55.53 5mdh s GLU 96 Cb -0.13 -2.27 1.06 0.00 0.10 0.00 0.00 34.13 32.89 5mdh s GLU 96 CO 0.20 -0.63 2.10 0.00 0.02 0.00 0.00 175.26 176.95 5mdh h ARG 97 N -0.14 0.26 -0.91 1.61 3.08 -1.99 -3.00 114.38 113.30 5mdh h ARG 97 Ca -0.46 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.75 5mdh h ARG 97 Cb 1.25 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.16 5mdh h ARG 97 CO 0.61 0.18 0.59 0.87 -1.07 0.00 0.00 179.97 181.15 5mdh h LYS 98 N 0.27 0.59 -6.73 0.04 1.79 -1.96 -3.36 116.57 107.20 5mdh h LYS 98 Ca 0.07 -0.04 -0.49 0.00 -2.18 0.00 0.00 60.65 58.01 5mdh h LYS 98 Cb -0.03 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 5mdh h LYS 98 CO -0.02 0.39 0.28 0.34 -1.08 0.00 0.00 179.45 179.36 5mdh s ASP 99 N -5.67 7.40 0.00 0.86 -1.08 -1.14 -3.04 116.67 114.00 5mdh s ASP 99 Ca -0.10 1.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.71 5mdh s ASP 99 Cb 0.23 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 5mdh s ASP 99 CO 0.79 0.07 0.00 0.18 0.52 0.00 0.00 175.17 176.73 5mdh n LEU 100 N 1.06 0.00 0.00 -1.34 4.77 -1.26 -4.84 117.00 115.40 5mdh n LEU 100 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 5mdh n LEU 100 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 5mdh n LEU 100 CO 0.46 0.00 0.50 0.25 -1.33 0.00 0.00 177.39 177.27 5mdh h LEU 101 N 0.00 -0.19 -0.78 2.23 7.12 -1.70 1.34 115.31 123.33 5mdh h LEU 101 Ca 0.00 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.14 5mdh h LEU 101 Cb 0.00 0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 40.13 5mdh h LEU 101 CO 0.00 -0.06 0.40 0.11 -0.13 0.00 0.00 178.44 178.77 5mdh h LYS 102 N -0.07 0.64 -0.70 1.25 1.57 -1.93 0.52 116.57 117.84 5mdh h LYS 102 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 5mdh h LYS 102 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 5mdh h LYS 102 CO -0.05 0.42 0.35 0.00 -0.57 0.00 0.00 179.45 179.60 5mdh h ALA 103 N 1.47 0.91 0.00 3.86 0.00 -1.89 -3.34 119.26 120.27 5mdh h ALA 103 Ca 0.39 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.81 5mdh h ALA 103 Cb 0.43 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 5mdh h ALA 103 CO -0.29 0.46 -2.16 0.09 0.00 0.00 0.00 179.25 177.36 5mdh n ASN 104 N -4.44 0.42 -0.20 0.00 3.02 0.46 -4.27 115.26 110.24 5mdh n ASN 104 Ca 0.06 0.14 0.06 0.00 -0.03 0.00 0.00 54.58 54.80 5mdh n ASN 104 Cb 0.12 0.55 0.34 0.00 -0.61 0.00 0.00 39.78 40.18 5mdh n ASN 104 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 5mdh h VAL 105 N 0.00 1.02 -0.70 2.41 3.04 -0.10 0.35 116.25 122.28 5mdh h VAL 105 Ca -0.46 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 5mdh h VAL 105 Cb 2.15 0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 31.56 5mdh h VAL 105 CO 0.04 0.15 0.41 0.50 -1.01 0.00 0.00 177.57 177.65 5mdh h LYS 106 N 0.80 0.95 -0.58 4.17 3.11 -1.74 -2.11 116.57 121.17 5mdh h LYS 106 Ca 0.33 -0.10 0.05 0.00 -2.81 0.00 0.00 60.65 58.12 5mdh h LYS 106 Cb 0.26 -0.20 -0.05 0.00 -1.00 0.00 0.00 32.23 31.25 5mdh h LYS 106 CO -0.11 0.69 0.32 0.82 -2.81 0.00 0.00 179.45 178.36 5mdh h ILE 107 N 0.95 0.98 0.00 2.00 1.08 -1.13 -2.83 117.51 118.56 5mdh h ILE 107 Ca 0.25 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 5mdh h ILE 107 Cb -0.00 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 5mdh h ILE 107 CO -0.04 0.11 -0.03 -0.26 -0.69 0.00 0.00 178.15 177.23 5mdh h PHE 108 N 0.61 0.00 0.16 1.37 -1.00 -1.16 -1.74 116.94 115.17 5mdh h PHE 108 Ca 0.25 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 5mdh h PHE 108 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 5mdh h PHE 108 CO -0.08 0.03 -0.08 -0.22 -1.61 0.00 0.00 178.31 176.35 5mdh h LYS 109 N 0.00 -0.20 -0.96 1.51 3.64 -1.16 -0.26 116.57 119.14 5mdh h LYS 109 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 5mdh h LYS 109 Cb 0.60 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 5mdh h LYS 109 CO 0.00 0.23 0.62 0.00 -2.27 0.00 0.00 179.45 178.04 5mdh h GLN 111 N 1.14 0.82 -0.91 0.00 4.20 -1.31 0.04 115.11 119.10 5mdh h GLN 111 Ca 0.40 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.63 5mdh h GLN 111 Cb 0.12 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 5mdh h GLN 111 CO -0.14 1.12 0.58 0.78 -0.67 0.00 0.00 178.83 180.49 5mdh h GLY 112 N 0.81 1.29 1.49 3.46 0.00 -0.40 0.13 103.07 109.85 5mdh h GLY 112 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 5mdh h GLY 112 CO 0.11 0.49 0.04 0.00 0.00 0.00 0.00 176.54 177.18 5mdh h ALA 113 N 1.32 1.30 -0.20 3.60 0.00 -0.91 -2.32 119.26 122.05 5mdh h ALA 113 Ca 0.33 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 5mdh h ALA 113 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.51 5mdh h ALA 113 CO -0.07 0.48 -0.59 0.00 0.00 0.00 0.00 179.25 179.07 5mdh h ALA 114 N 1.43 0.35 0.85 0.00 0.00 0.11 -2.62 119.26 119.38 5mdh h ALA 114 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 5mdh h ALA 114 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 5mdh h ALA 114 CO 0.01 0.59 -0.44 -0.07 0.00 0.00 0.00 179.25 179.34 5mdh h LEU 115 N 0.49 -1.07 -1.00 0.00 3.38 -0.62 0.14 115.31 116.62 5mdh h LEU 115 Ca -0.02 0.05 0.33 0.00 0.09 0.00 0.00 57.88 58.32 5mdh h LEU 115 Cb 1.21 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 42.10 5mdh h LEU 115 CO 0.13 -0.73 0.56 -0.78 0.09 0.00 0.00 178.44 177.71 5mdh h ASP 116 N -1.19 0.49 0.00 -0.43 3.58 -1.51 0.35 116.42 117.71 5mdh h ASP 116 Ca -0.11 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 5mdh h ASP 116 Cb 0.92 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 5mdh h ASP 116 CO 0.17 -0.16 -0.02 0.11 -2.88 0.00 0.00 179.24 176.47 5mdh h LYS 117 N 0.30 0.00 0.00 0.28 1.57 -1.24 -3.44 116.57 114.04 5mdh h LYS 117 Ca 0.74 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.35 5mdh h LYS 117 Cb 1.69 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.97 5mdh h LYS 117 CO -0.62 0.79 -1.93 0.66 -0.57 0.00 0.00 179.45 177.78 5mdh n TYR 118 N -4.64 0.00 -2.12 -1.35 4.01 0.47 -5.04 117.16 108.48 5mdh n TYR 118 Ca -0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.37 5mdh n TYR 118 Cb 0.38 -0.60 0.04 0.00 -0.31 0.00 0.00 39.34 38.85 5mdh n TYR 118 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 5mdh s ALA 119 N -2.69 3.08 0.90 -0.72 0.00 0.12 -1.32 121.76 121.13 5mdh s ALA 119 Ca -0.07 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 5mdh s ALA 119 Cb 0.07 -2.82 0.14 0.00 0.00 0.00 0.00 23.12 20.51 5mdh s ALA 119 CO 0.65 -1.01 1.13 0.15 0.00 0.00 0.00 175.76 176.68 5mdh s LYS 120 N -5.20 1.12 0.47 0.00 1.02 -1.15 -4.78 119.74 111.21 5mdh s LYS 120 Ca 0.56 1.42 0.27 0.00 0.02 0.00 0.00 55.97 58.23 5mdh s LYS 120 Cb -0.11 -1.75 0.87 0.00 -0.52 0.00 0.00 37.83 36.32 5mdh s LYS 120 CO 0.48 -2.52 1.80 0.87 -0.92 0.00 0.00 175.35 175.07 5mdh h LYS 121 N -1.78 0.00 -0.01 1.68 1.79 -1.90 -2.93 116.57 113.43 5mdh h LYS 121 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 5mdh h LYS 121 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 5mdh h LYS 121 CO 0.44 0.11 -0.02 -1.13 -1.08 0.00 0.00 179.45 177.78 5mdh n SER 122 N -3.20 0.57 -4.48 0.86 3.41 -1.26 -4.43 113.62 105.09 5mdh n SER 122 Ca 0.01 -1.07 -0.45 0.00 -0.26 0.00 0.00 58.87 57.10 5mdh n SER 122 Cb 0.44 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 5mdh n SER 122 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 5mdh n VAL 123 N -0.62 1.93 -3.91 -3.33 0.24 -1.11 -4.94 118.33 106.59 5mdh n VAL 123 Ca 0.20 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 5mdh n VAL 123 Cb 0.22 -0.49 -0.09 0.00 -1.47 0.00 0.00 33.84 32.01 5mdh n VAL 123 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 5mdh s LYS 124 N -1.31 4.01 -0.20 7.34 -0.14 -0.18 -4.81 119.74 124.45 5mdh s LYS 124 Ca 0.61 -0.32 -0.02 0.00 -1.36 0.00 0.00 55.97 54.88 5mdh s LYS 124 Cb -0.78 -3.29 -0.00 0.00 -1.68 0.00 0.00 37.83 32.08 5mdh s LYS 124 CO 0.58 0.24 -0.09 0.08 -0.76 0.00 0.00 175.35 175.40 5mdh s VAL 125 N 0.49 3.02 -0.25 3.17 1.01 0.64 -0.20 120.40 128.28 5mdh s VAL 125 Ca 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 5mdh s VAL 125 Cb -0.12 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.94 5mdh s VAL 125 CO 0.00 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.89 5mdh s ILE 126 N 1.28 3.00 -0.32 2.22 -1.09 0.36 -1.07 121.20 125.58 5mdh s ILE 126 Ca 0.03 -0.99 -0.12 0.00 -2.23 0.00 0.00 60.65 57.33 5mdh s ILE 126 Cb -0.14 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 5mdh s ILE 126 CO -0.04 0.18 0.23 -0.69 -1.23 0.00 0.00 174.94 173.39 5mdh s VAL 127 N 1.34 5.28 -0.20 2.92 1.01 0.23 -0.44 120.40 130.55 5mdh s VAL 127 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 5mdh s VAL 127 Cb -0.17 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 5mdh s VAL 127 CO -0.04 0.09 -0.23 0.52 0.00 0.00 0.00 175.10 175.44 5mdh n VAL 128 N 5.10 1.09 -1.54 2.92 0.31 -0.72 -1.75 118.33 123.74 5mdh n VAL 128 Ca -0.13 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.47 5mdh n VAL 128 Cb 0.51 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 5mdh n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 5mdh n GLY 129 N 1.97 -0.78 3.79 2.92 0.00 -1.08 -4.49 105.19 107.52 5mdh n GLY 129 Ca -0.38 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 5mdh n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5mdh s ASN 130 N -0.81 4.41 -0.53 1.61 0.02 -1.26 -2.51 114.94 115.86 5mdh s ASN 130 Ca 0.63 1.35 -0.42 0.00 -1.02 0.00 0.00 52.86 53.40 5mdh s ASN 130 Cb -0.61 -2.09 -0.19 0.00 0.02 0.00 0.00 41.25 38.38 5mdh s ASN 130 CO 0.58 -2.03 2.19 -0.81 0.02 0.00 0.00 177.10 177.05 5mdh n PRO 131 N -3.47 0.10 0.05 -0.60 -0.04 -1.26 -4.64 135.00 125.14 5mdh n PRO 131 Ca 0.07 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 5mdh n PRO 131 Cb 0.56 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 5mdh n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5mdh h ALA 132 N 9.60 -0.28 0.44 0.55 0.00 -1.72 0.14 119.26 127.99 5mdh h ALA 132 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 5mdh h ALA 132 Cb 1.40 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 5mdh h ALA 132 CO 1.11 -0.72 -0.27 -0.91 0.00 0.00 0.00 179.25 178.47 5mdh h ASN 133 N -0.35 -0.66 -0.95 0.00 4.21 -1.87 0.29 115.58 116.25 5mdh h ASN 133 Ca 0.06 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 5mdh h ASN 133 Cb 0.43 0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.78 5mdh h ASN 133 CO -0.21 -0.42 0.59 0.74 -1.29 0.00 0.00 177.43 176.83 5mdh h THR 134 N -0.67 1.25 -0.23 2.81 2.02 -1.84 0.15 112.91 116.41 5mdh h THR 134 Ca -0.05 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.62 5mdh h THR 134 Cb 0.55 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 5mdh h THR 134 CO 0.05 0.26 0.13 0.78 0.37 0.00 0.00 175.52 177.11 5mdh h ASN 135 N 1.30 0.20 -0.11 4.18 -0.26 -0.57 -0.09 115.58 120.23 5mdh h ASN 135 Ca 0.34 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.11 5mdh h ASN 135 Cb -0.09 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 5mdh h ASN 135 CO -0.07 0.15 -0.34 0.00 -1.06 0.00 0.00 177.43 176.11 5mdh h LEU 137 N -0.35 0.10 -0.66 0.00 5.85 -0.45 -1.12 115.31 118.68 5mdh h LEU 137 Ca 0.02 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 5mdh h LEU 137 Cb 0.42 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 5mdh h LEU 137 CO -0.29 0.08 0.34 0.74 -0.34 0.00 0.00 178.44 178.97 5mdh h THR 138 N 0.31 1.22 -0.40 1.05 2.02 -0.82 -1.94 112.91 114.35 5mdh h THR 138 Ca 0.27 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 5mdh h THR 138 Cb 0.34 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 5mdh h THR 138 CO -0.31 0.24 -0.30 0.00 0.37 0.00 0.00 175.52 175.52 5mdh h ALA 139 N 1.16 0.70 -0.40 6.16 0.00 -0.59 -2.96 119.26 123.33 5mdh h ALA 139 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.74 5mdh h ALA 139 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 5mdh h ALA 139 CO -0.03 0.67 0.25 0.66 0.00 0.00 0.00 179.25 180.79 5mdh h SER 140 N 0.74 0.41 0.52 0.00 4.64 -1.08 -2.62 113.55 116.16 5mdh h SER 140 Ca 0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 5mdh h SER 140 Cb 0.87 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 5mdh h SER 140 CO 0.08 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 5mdh n LYS 141 N -4.84 0.17 -0.48 4.77 5.02 -0.74 -1.45 118.16 120.60 5mdh n LYS 141 Ca 0.01 0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 5mdh n LYS 141 Cb 0.05 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 33.89 5mdh n LYS 141 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 5mdh n SER 142 N -1.38 4.29 -3.19 4.39 7.64 -1.00 -4.45 113.62 119.93 5mdh n SER 142 Ca 0.08 -2.25 -0.22 0.00 1.01 0.00 0.00 58.87 57.49 5mdh n SER 142 Cb 0.19 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 5mdh n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5mdh n ALA 143 N 1.25 2.54 0.26 -0.43 0.00 -0.53 -3.29 120.51 120.32 5mdh n ALA 143 Ca 0.24 -3.59 0.12 0.00 0.00 0.00 0.00 53.44 50.21 5mdh n ALA 143 Cb 0.75 -0.86 0.72 0.00 0.00 0.00 0.00 19.45 20.06 5mdh n ALA 143 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 5mdh h PRO 144 N 3.58 0.00 -0.06 0.00 0.13 -1.78 -2.45 132.00 131.42 5mdh h PRO 144 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 5mdh h PRO 144 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 5mdh h PRO 144 CO 0.53 0.11 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 5mdh n SER 145 N -3.78 0.63 -4.25 1.44 3.41 -1.26 -4.72 113.62 105.09 5mdh n SER 145 Ca -0.02 -1.49 -0.33 0.00 -0.26 0.00 0.00 58.87 56.77 5mdh n SER 145 Cb 0.21 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 5mdh n SER 145 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 5mdh s ILE 146 N -1.93 2.60 0.22 -1.33 1.01 -0.93 -4.89 121.20 115.96 5mdh s ILE 146 Ca 0.31 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 5mdh s ILE 146 Cb 0.15 -2.09 -0.15 0.00 0.01 0.00 0.00 42.46 40.38 5mdh s ILE 146 CO 0.25 0.52 1.18 -2.65 0.00 0.00 0.00 174.94 174.24 5mdh n PRO 147 N 4.07 1.42 -0.33 2.79 -0.02 -1.26 -4.83 135.00 136.83 5mdh n PRO 147 Ca -0.19 0.50 0.17 0.00 -2.02 0.00 0.00 63.50 61.96 5mdh n PRO 147 Cb 0.52 -2.01 0.40 0.00 -0.02 0.00 0.00 33.50 32.39 5mdh n PRO 147 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 5mdh h LYS 148 N 3.21 0.58 -0.13 -0.52 1.57 -1.93 -1.56 116.57 117.80 5mdh h LYS 148 Ca -0.43 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 5mdh h LYS 148 Cb 1.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 5mdh h LYS 148 CO 0.69 0.38 0.11 0.93 -0.57 0.00 0.00 179.45 180.99 5mdh h GLU 149 N 0.60 0.00 0.00 3.15 3.07 -1.99 -2.74 114.58 116.67 5mdh h GLU 149 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 5mdh h GLU 149 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 5mdh h GLU 149 CO -0.36 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.34 5mdh n ASN 150 N -4.20 0.00 -4.61 1.42 5.03 -0.59 -4.72 115.26 107.59 5mdh n ASN 150 Ca 0.00 -0.31 -0.38 0.00 0.87 0.00 0.00 54.58 54.76 5mdh n ASN 150 Cb 0.23 -0.19 -0.10 0.00 -1.02 0.00 0.00 39.78 38.70 5mdh n ASN 150 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 5mdh s PHE 151 N -2.37 3.26 0.05 3.10 0.40 -1.03 -0.26 117.98 121.11 5mdh s PHE 151 Ca 0.28 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 5mdh s PHE 151 Cb 0.17 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 5mdh s PHE 151 CO 0.34 -0.13 -0.05 -1.54 0.70 0.00 0.00 175.22 174.55 5mdh s SER 152 N 1.54 0.59 0.19 1.36 1.04 -0.23 -4.52 113.70 113.66 5mdh s SER 152 Ca 0.10 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 55.88 5mdh s SER 152 Cb -0.15 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 5mdh s SER 152 CO 0.09 -0.39 -0.15 0.00 0.98 0.00 0.00 173.24 173.77 5mdh s LEU 154 N -3.13 3.71 0.00 0.00 2.96 -0.72 -1.94 118.68 119.56 5mdh s LEU 154 Ca 0.20 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 5mdh s LEU 154 Cb -0.02 -3.48 0.04 0.00 0.50 0.00 0.00 46.19 43.23 5mdh s LEU 154 CO 0.07 -1.22 0.80 0.35 -1.32 0.00 0.00 176.35 175.03 5mdh n THR 155 N 6.77 0.47 0.11 3.68 -2.24 -1.26 -4.70 114.28 117.11 5mdh n THR 155 Ca 0.11 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.19 5mdh n THR 155 Cb 0.49 0.79 0.45 0.00 -2.10 0.00 0.00 70.33 69.96 5mdh n THR 155 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 5mdh h ARG 156 N 0.47 0.29 -0.52 -0.78 9.65 -1.87 0.10 114.38 121.71 5mdh h ARG 156 Ca 0.00 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.76 5mdh h ARG 156 Cb 0.32 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 5mdh h ARG 156 CO 0.00 0.30 0.00 1.25 2.80 0.00 0.00 179.97 184.32 5mdh h LEU 157 N 0.28 0.90 -0.66 3.80 5.85 -1.85 0.21 115.31 123.84 5mdh h LEU 157 Ca 0.07 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 5mdh h LEU 157 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 5mdh h LEU 157 CO 0.00 0.99 -0.08 0.44 -0.34 0.00 0.00 178.44 179.45 5mdh h ASP 158 N 0.79 0.95 0.08 1.25 3.32 -1.50 0.41 116.42 121.72 5mdh h ASP 158 Ca 0.15 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.92 5mdh h ASP 158 Cb 0.52 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 5mdh h ASP 158 CO 0.03 1.05 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.72 5mdh h HIS 159 N 0.87 -0.36 -0.85 4.55 2.76 -0.39 -0.68 115.15 121.05 5mdh h HIS 159 Ca 0.14 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 5mdh h HIS 159 Cb 0.61 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.68 5mdh h HIS 159 CO 0.04 -0.21 0.48 -0.91 -1.30 0.00 0.00 177.93 176.03 5mdh h ASN 160 N -0.27 1.06 -0.94 3.26 2.35 -0.46 -1.69 115.58 118.89 5mdh h ASN 160 Ca 0.02 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 5mdh h ASN 160 Cb 0.29 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 5mdh h ASN 160 CO -0.08 0.84 0.58 0.03 -1.65 0.00 0.00 177.43 177.15 5mdh h ARG 161 N 1.18 1.27 -0.39 0.81 3.08 -0.64 -0.54 114.38 119.16 5mdh h ARG 161 Ca 0.30 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 5mdh h ARG 161 Cb 0.01 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 5mdh h ARG 161 CO -0.05 0.88 0.02 0.00 -1.07 0.00 0.00 179.97 179.75 5mdh h ALA 162 N 1.34 0.52 -0.01 0.04 0.00 -0.40 -2.34 119.26 118.40 5mdh h ALA 162 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.01 5mdh h ALA 162 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 5mdh h ALA 162 CO -0.07 0.27 -0.02 0.87 0.00 0.00 0.00 179.25 180.31 5mdh h LYS 163 N 0.50 -0.02 -0.56 0.00 1.57 -0.92 -1.69 116.57 115.45 5mdh h LYS 163 Ca 0.11 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 5mdh h LYS 163 Cb 0.44 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 5mdh h LYS 163 CO 0.02 -0.02 0.37 0.00 -0.57 0.00 0.00 179.45 179.25 5mdh h ALA 164 N 0.99 1.90 -0.19 3.86 0.00 -1.04 0.11 119.26 124.88 5mdh h ALA 164 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 5mdh h ALA 164 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 5mdh h ALA 164 CO -0.03 0.00 -0.53 1.96 0.00 0.00 0.00 179.25 180.66 5mdh h GLN 165 N 0.49 0.55 0.21 0.00 1.08 -0.77 -2.44 115.11 114.23 5mdh h GLN 165 Ca 0.25 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 5mdh h GLN 165 Cb 0.35 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 5mdh h GLN 165 CO -0.07 0.94 -0.10 0.82 -0.95 0.00 0.00 178.83 179.47 5mdh h ILE 166 N 0.43 0.87 -0.81 2.54 1.08 -0.25 -1.73 117.51 119.64 5mdh h ILE 166 Ca 0.01 -0.52 0.18 0.00 -0.39 0.00 0.00 64.86 64.14 5mdh h ILE 166 Cb 1.06 1.17 -0.11 0.00 -3.07 0.00 0.00 36.82 35.87 5mdh h ILE 166 CO 0.10 0.12 0.31 0.00 -0.69 0.00 0.00 178.15 177.98 5mdh h ALA 167 N 0.17 1.19 -0.26 1.87 0.00 -1.26 -0.61 119.26 120.36 5mdh h ALA 167 Ca -0.03 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 5mdh h ALA 167 Cb 0.41 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 5mdh h ALA 167 CO 0.05 -0.29 -0.24 -0.07 0.00 0.00 0.00 179.25 178.70 5mdh h LEU 168 N 0.39 0.49 -0.02 0.00 3.38 -1.34 0.65 115.31 118.86 5mdh h LEU 168 Ca 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 5mdh h LEU 168 Cb 0.82 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 5mdh h LEU 168 CO -0.49 0.73 -0.01 0.50 0.09 0.00 0.00 178.44 179.26 5mdh h LYS 169 N 0.44 0.04 -0.01 1.13 1.63 -0.21 -3.22 116.57 116.38 5mdh h LYS 169 Ca 0.07 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 5mdh h LYS 169 Cb 0.65 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 5mdh h LYS 169 CO 0.05 0.45 -0.08 1.28 -3.45 0.00 0.00 179.45 177.69 5mdh n LEU 170 N -4.86 0.71 -3.17 5.20 4.77 -0.57 -4.93 117.00 114.16 5mdh n LEU 170 Ca -0.08 -0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 55.55 5mdh n LEU 170 Cb 0.23 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 5mdh n LEU 170 CO 0.34 0.13 0.21 0.61 -1.33 0.00 0.00 177.39 177.34 5mdh n GLY 171 N 1.22 -0.34 3.40 -0.72 0.00 0.97 -4.99 105.19 104.73 5mdh n GLY 171 Ca 0.17 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 5mdh n GLY 171 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 5mdh n VAL 172 N -4.59 0.00 -2.69 1.61 3.14 0.19 -5.00 118.33 110.98 5mdh n VAL 172 Ca -0.01 -2.05 -0.29 0.00 -2.96 0.00 0.00 64.34 59.03 5mdh n VAL 172 Cb 0.56 0.10 -0.02 0.00 -1.06 0.00 0.00 33.84 33.42 5mdh n VAL 172 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 5mdh s THR 173 N -2.54 4.81 0.16 1.55 2.01 -1.26 -4.44 115.64 115.93 5mdh s THR 173 Ca 0.19 0.52 -0.13 0.00 0.31 0.00 0.00 61.69 62.58 5mdh s THR 173 Cb -0.01 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.76 5mdh s THR 173 CO 0.12 -0.69 1.70 0.77 -0.69 0.00 0.00 174.62 175.84 5mdh h SER 174 N 0.77 0.77 0.54 3.53 4.64 -1.94 -2.41 113.55 119.46 5mdh h SER 174 Ca -0.47 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 5mdh h SER 174 Cb 1.19 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 5mdh h SER 174 CO 0.63 0.75 0.00 0.47 -0.87 0.00 0.00 176.83 177.81 5mdh n ASP 175 N -4.48 0.52 0.09 4.97 8.00 -1.26 -2.37 116.55 122.01 5mdh n ASP 175 Ca 0.02 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.30 5mdh n ASP 175 Cb 0.18 -0.75 0.43 0.00 -0.02 0.00 0.00 41.12 40.96 5mdh n ASP 175 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 5mdh n ASP 176 N -2.09 0.69 -4.87 -2.24 8.00 -0.91 -4.73 116.55 110.40 5mdh n ASP 176 Ca 0.02 0.56 -0.36 0.00 0.71 0.00 0.00 54.79 55.71 5mdh n ASP 176 Cb 0.18 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 5mdh n ASP 176 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 5mdh s VAL 177 N -3.09 5.29 0.04 2.53 1.01 -1.00 -1.57 120.40 123.61 5mdh s VAL 177 Ca 0.11 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 5mdh s VAL 177 Cb 0.13 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 33.03 5mdh s VAL 177 CO 0.59 0.46 0.66 -1.59 0.00 0.00 0.00 175.10 175.22 5mdh s LYS 178 N -1.48 1.14 -1.05 2.72 -2.85 0.02 -4.98 119.74 113.26 5mdh s LYS 178 Ca 0.24 -0.06 -0.05 0.00 -1.00 0.00 0.00 55.97 55.11 5mdh s LYS 178 Cb -0.14 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 5mdh s LYS 178 CO 0.13 -0.42 0.65 0.09 0.10 0.00 0.00 175.35 175.90 5mdh n ASN 179 N 0.35 -5.02 -4.84 0.03 5.03 -1.26 -0.18 115.26 109.36 5mdh n ASN 179 Ca -0.18 -0.30 -0.32 0.00 0.87 0.00 0.00 54.58 54.65 5mdh n ASN 179 Cb 0.60 -3.74 -0.05 0.00 -1.02 0.00 0.00 39.78 35.57 5mdh n ASN 179 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 5mdh s VAL 180 N -3.12 4.58 0.03 2.41 -7.23 -1.26 -2.99 120.40 112.82 5mdh s VAL 180 Ca 0.32 1.11 0.06 0.00 -1.81 0.00 0.00 61.98 61.67 5mdh s VAL 180 Cb -0.14 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 5mdh s VAL 180 CO 0.40 -0.40 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.98 5mdh s ILE 181 N -2.26 1.45 -0.27 -0.62 1.01 -0.77 -4.74 121.20 115.01 5mdh s ILE 181 Ca 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 60.17 5mdh s ILE 181 Cb -0.10 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.16 5mdh s ILE 181 CO 0.22 0.18 -0.07 -0.63 0.00 0.00 0.00 174.94 174.64 5mdh s ILE 182 N -0.74 2.57 0.02 2.92 -1.09 -1.26 -0.04 121.20 123.57 5mdh s ILE 182 Ca 0.06 -1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 57.02 5mdh s ILE 182 Cb -0.08 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 5mdh s ILE 182 CO 0.01 -0.00 0.21 0.26 -1.23 0.00 0.00 174.94 174.19 5mdh s TRP 183 N 1.20 3.54 0.00 3.97 0.52 0.77 -4.18 118.94 124.76 5mdh s TRP 183 Ca -0.06 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.43 5mdh s TRP 183 Cb -0.19 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.29 5mdh s TRP 183 CO -0.04 0.62 0.00 0.41 0.02 0.00 0.00 176.95 177.96 5mdh n GLY 184 N 0.77 0.87 3.80 0.98 0.00 -0.66 -1.61 105.19 109.33 5mdh n GLY 184 Ca -0.09 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 5mdh n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 5mdh s ASN 185 N -4.00 7.17 -1.29 1.61 2.47 -1.26 -0.56 114.94 119.08 5mdh s ASN 185 Ca 0.00 1.61 -0.17 0.00 0.42 0.00 0.00 52.86 54.72 5mdh s ASN 185 Cb 0.00 -2.49 0.01 0.00 -1.45 0.00 0.00 41.25 37.32 5mdh s ASN 185 CO 0.00 -0.03 2.02 1.57 -3.72 0.00 0.00 177.10 176.93 5mdh n HIS 186 N 0.57 3.58 -3.56 0.43 -0.00 -1.26 -3.83 115.22 111.15 5mdh n HIS 186 Ca 0.00 -2.65 -0.06 0.00 -0.00 0.00 0.00 57.72 55.01 5mdh n HIS 186 Cb 0.51 -2.47 0.01 0.00 -0.00 0.00 0.00 29.99 28.04 5mdh n HIS 186 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 5mdh n SER 187 N 7.67 -1.26 0.00 0.26 3.41 -1.26 -4.75 113.62 117.69 5mdh n SER 187 Ca 0.50 -2.00 0.03 0.00 -0.26 0.00 0.00 58.87 57.14 5mdh n SER 187 Cb 0.42 2.13 0.20 0.00 -0.26 0.00 0.00 64.21 66.70 5mdh n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 5mdh n SER 188 N -1.43 0.00 -0.70 4.04 3.41 -1.26 -1.97 113.62 115.71 5mdh n SER 188 Ca -0.04 -0.71 0.07 0.00 -0.26 0.00 0.00 58.87 57.93 5mdh n SER 188 Cb 0.36 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.43 5mdh n SER 188 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 5mdh n THR 189 N -0.73 0.48 -1.60 6.66 -2.24 -1.26 -4.90 114.28 110.70 5mdh n THR 189 Ca 0.05 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 5mdh n THR 189 Cb 0.02 0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 5mdh n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 5mdh n GLN 190 N 0.81 1.37 -3.56 -0.78 10.64 -0.83 -4.44 117.38 120.59 5mdh n GLN 190 Ca 0.12 0.48 -0.41 0.00 -1.83 0.00 0.00 57.00 55.36 5mdh n GLN 190 Cb 0.42 -1.93 -0.09 0.00 -0.86 0.00 0.00 30.24 27.78 5mdh n GLN 190 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 5mdh s TYR 191 N -1.15 3.32 -0.97 2.61 5.04 -0.64 -4.89 117.35 120.67 5mdh s TYR 191 Ca 0.60 -1.41 -0.22 0.00 -2.44 0.00 0.00 57.07 53.60 5mdh s TYR 191 Cb -0.64 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 38.73 5mdh s TYR 191 CO 0.59 -0.84 1.32 -1.25 -1.34 0.00 0.00 175.55 174.03 5mdh s PRO 192 N 1.47 3.57 -0.42 4.97 0.05 -1.26 -0.17 135.00 143.21 5mdh s PRO 192 Ca 0.03 -1.32 -0.21 0.00 0.05 0.00 0.00 61.00 59.56 5mdh s PRO 192 Cb -0.23 -5.13 0.02 0.00 0.05 0.00 0.00 34.50 29.20 5mdh s PRO 192 CO 0.03 -2.04 0.64 0.34 0.05 0.00 0.00 177.00 176.02 5mdh s ASP 193 N 4.42 6.35 -0.48 6.66 2.15 0.94 -4.91 116.67 131.79 5mdh s ASP 193 Ca 0.40 -0.22 0.03 0.00 0.43 0.00 0.00 52.55 53.19 5mdh s ASP 193 Cb -0.02 -2.32 0.59 0.00 -0.30 0.00 0.00 42.92 40.87 5mdh s ASP 193 CO -0.09 -0.73 1.88 1.33 -0.17 0.00 0.00 175.17 177.39 5mdh n VAL 194 N 5.79 3.23 0.09 1.11 0.24 -1.26 -1.85 118.33 125.67 5mdh n VAL 194 Ca -0.02 -2.34 -0.08 0.00 -2.04 0.00 0.00 64.34 59.87 5mdh n VAL 194 Cb 0.48 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 5mdh n VAL 194 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 5mdh h ASN 195 N 1.29 0.17 -0.36 -1.34 4.21 -1.92 -3.21 115.58 114.41 5mdh h ASN 195 Ca 0.58 -0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.84 5mdh h ASN 195 Cb 2.19 -0.05 -0.06 0.00 -1.12 0.00 0.00 38.32 39.27 5mdh h ASN 195 CO 1.14 0.98 0.02 1.41 -1.29 0.00 0.00 177.43 179.70 5mdh n HIS 196 N -3.59 1.20 -3.58 1.19 8.25 -1.26 -4.92 115.22 112.52 5mdh n HIS 196 Ca -0.03 -1.21 -0.32 0.00 -0.26 0.00 0.00 57.72 55.91 5mdh n HIS 196 Cb 0.83 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 5mdh n HIS 196 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 5mdh s ALA 197 N -3.02 3.71 -0.02 -1.41 0.00 -1.16 -4.71 121.76 115.14 5mdh s ALA 197 Ca 0.45 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.03 5mdh s ALA 197 Cb 0.38 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 5mdh s ALA 197 CO 0.06 0.61 -0.26 0.15 0.00 0.00 0.00 175.76 176.32 5mdh s LYS 198 N -2.69 2.12 -0.03 0.00 -0.14 0.75 -1.79 119.74 117.96 5mdh s LYS 198 Ca 0.43 -0.92 0.04 0.00 -1.36 0.00 0.00 55.97 54.16 5mdh s LYS 198 Cb -0.12 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 34.00 5mdh s LYS 198 CO 0.23 0.54 -0.15 0.14 -0.76 0.00 0.00 175.35 175.35 5mdh s VAL 199 N -0.57 1.23 -0.63 3.17 -7.23 0.03 -0.80 120.40 115.59 5mdh s VAL 199 Ca 0.09 -0.62 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 5mdh s VAL 199 Cb -0.10 -1.05 0.06 0.00 0.56 0.00 0.00 36.38 35.85 5mdh s VAL 199 CO -0.01 0.36 0.95 -0.54 -0.31 0.00 0.00 175.10 175.55 5mdh s LYS 200 N -0.06 3.15 0.52 4.82 -0.14 -0.61 -1.31 119.74 126.11 5mdh s LYS 200 Ca -0.00 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 5mdh s LYS 200 Cb -0.09 -4.19 0.02 0.00 -1.68 0.00 0.00 37.83 31.89 5mdh s LYS 200 CO 0.01 -1.74 0.74 -0.51 -0.76 0.00 0.00 175.35 173.09 5mdh s LEU 201 N 3.99 3.39 0.41 3.17 1.43 -0.83 -4.98 118.68 125.25 5mdh s LEU 201 Ca 0.23 0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 5mdh s LEU 201 Cb -0.16 -2.95 0.86 0.00 0.03 0.00 0.00 46.19 43.97 5mdh s LEU 201 CO 0.12 -1.01 1.97 1.56 0.23 0.00 0.00 176.35 179.22 5mdh h GLN 202 N 0.18 0.24 0.00 1.70 1.08 -2.03 -3.03 115.11 113.26 5mdh h GLN 202 Ca -0.43 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 56.61 5mdh h GLN 202 Cb 1.28 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 5mdh h GLN 202 CO 0.53 0.32 -1.16 0.00 -0.95 0.00 0.00 178.83 177.58 5mdh h ALA 203 N 1.71 0.62 0.00 3.87 0.00 -2.01 -3.49 119.26 119.96 5mdh h ALA 203 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.41 5mdh h ALA 203 Cb 0.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 5mdh h ALA 203 CO 0.01 0.61 0.00 1.17 0.00 0.00 0.00 179.25 181.04 5mdh n LYS 204 N -2.88 0.00 -2.90 0.00 4.81 -1.14 -5.13 118.16 110.92 5mdh n LYS 204 Ca -0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.97 5mdh n LYS 204 Cb 0.74 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.75 5mdh n LYS 204 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 5mdh s GLU 205 N -2.00 3.97 0.39 1.64 2.12 -1.26 -1.97 118.70 121.59 5mdh s GLU 205 Ca 0.00 0.65 0.08 0.00 0.36 0.00 0.00 54.97 56.06 5mdh s GLU 205 Cb 0.00 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 5mdh s GLU 205 CO 0.00 -0.72 -0.02 0.14 -0.54 0.00 0.00 175.26 174.12 5mdh s VAL 206 N 3.07 2.03 0.66 3.70 -7.23 -0.43 -4.92 120.40 117.28 5mdh s VAL 206 Ca 0.34 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 5mdh s VAL 206 Cb -0.14 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.92 5mdh s VAL 206 CO 0.13 -0.06 1.16 -0.83 -0.31 0.00 0.00 175.10 175.19 5mdh s GLY 207 N -3.67 2.37 0.11 2.32 0.00 -1.26 -0.79 107.32 106.40 5mdh s GLY 207 Ca 0.34 0.77 -0.19 0.00 0.00 0.00 0.00 44.72 45.65 5mdh s GLY 207 CO 0.17 1.15 1.68 -2.08 0.00 0.00 0.00 173.10 174.02 5mdh h VAL 208 N 0.20 1.15 -0.48 1.40 2.07 -1.58 -1.22 116.25 117.79 5mdh h VAL 208 Ca -0.48 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 66.67 5mdh h VAL 208 Cb 1.27 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 5mdh h VAL 208 CO 0.53 0.15 0.17 1.88 0.02 0.00 0.00 177.57 180.32 5mdh h TYR 209 N 0.29 0.30 -1.00 1.57 -1.99 -1.87 -0.49 116.97 113.78 5mdh h TYR 209 Ca 0.09 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.88 5mdh h TYR 209 Cb 0.13 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 38.73 5mdh h TYR 209 CO -0.02 0.10 0.66 1.49 -0.00 0.00 0.00 178.16 180.39 5mdh h GLU 210 N 0.35 1.23 0.05 4.88 4.81 -1.87 -0.49 114.58 123.53 5mdh h GLU 210 Ca 0.23 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.15 5mdh h GLU 210 Cb 0.23 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 5mdh h GLU 210 CO -0.23 0.82 -1.04 0.00 -0.73 0.00 0.00 179.01 177.82 5mdh h ALA 211 N 1.41 0.31 0.09 2.92 0.00 -0.13 -3.32 119.26 120.54 5mdh h ALA 211 Ca 0.40 -0.82 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 5mdh h ALA 211 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.76 5mdh h ALA 211 CO -0.13 1.00 -1.18 0.28 0.00 0.00 0.00 179.25 179.23 5mdh h VAL 212 N 0.08 1.28 -6.10 0.00 2.07 -1.05 -3.48 116.25 109.05 5mdh h VAL 212 Ca -0.07 -2.39 -0.41 0.00 0.82 0.00 0.00 66.70 64.65 5mdh h VAL 212 Cb 1.74 2.61 0.08 0.00 -1.52 0.00 0.00 31.29 34.21 5mdh h VAL 212 CO 0.16 0.73 -0.90 0.29 0.02 0.00 0.00 177.57 177.87 5mdh n LYS 213 N -3.82 -2.39 -2.89 1.57 4.76 -0.20 -4.95 118.16 110.24 5mdh n LYS 213 Ca -0.13 0.55 -0.01 0.00 -2.87 0.00 0.00 58.31 55.85 5mdh n LYS 213 Cb 0.95 -4.66 0.01 0.00 -1.84 0.00 0.00 35.03 29.49 5mdh n LYS 213 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 5mdh s ASP 214 N -3.74 -1.04 0.14 4.39 -1.08 -1.26 -5.04 116.67 109.03 5mdh s ASP 214 Ca 0.32 -0.87 -0.13 0.00 -0.52 0.00 0.00 52.55 51.36 5mdh s ASP 214 Cb -0.10 1.35 0.01 0.00 -1.46 0.00 0.00 42.92 42.72 5mdh s ASP 214 CO 0.83 -0.08 1.59 0.44 0.52 0.00 0.00 175.17 178.48 5mdh h ASP 215 N 5.57 0.83 0.23 -0.34 5.19 -1.92 -2.27 116.42 123.72 5mdh h ASP 215 Ca 0.03 -0.31 0.01 0.00 -0.62 0.00 0.00 57.03 56.13 5mdh h ASP 215 Cb 1.17 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.42 5mdh h ASP 215 CO -0.00 0.95 -0.38 0.28 -3.12 0.00 0.00 179.24 176.96 5mdh h SER 216 N 0.70 -1.08 -0.11 6.45 0.02 -1.96 -0.21 113.55 117.35 5mdh h SER 216 Ca 0.13 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 5mdh h SER 216 Cb 0.53 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 5mdh h SER 216 CO 0.03 -0.49 -0.39 -0.25 -1.14 0.00 0.00 176.83 174.59 5mdh h TRP 217 N -0.69 -1.10 -0.66 3.45 7.01 -1.93 1.14 115.95 123.17 5mdh h TRP 217 Ca 0.00 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.18 5mdh h TRP 217 Cb 0.67 0.50 -0.04 0.00 -2.10 0.00 0.00 29.16 28.19 5mdh h TRP 217 CO -0.28 -0.45 0.45 -0.07 -2.79 0.00 0.00 178.44 175.29 5mdh h LEU 218 N -0.47 0.32 -1.54 0.65 3.38 -1.15 0.18 115.31 116.68 5mdh h LEU 218 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 5mdh h LEU 218 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 5mdh h LEU 218 CO -0.37 0.18 -0.13 0.29 0.09 0.00 0.00 178.44 178.49 5mdh n LYS 219 N -4.46 1.92 0.00 1.13 5.02 -0.11 -4.07 118.16 117.59 5mdh n LYS 219 Ca 0.12 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 5mdh n LYS 219 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 5mdh n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5mdh n GLY 220 N 1.35 0.82 0.25 0.72 0.00 0.38 -4.76 105.19 103.96 5mdh n GLY 220 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 5mdh n GLY 220 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 5mdh h GLU 221 N 0.00 0.65 -0.66 1.61 4.81 -1.66 -2.29 114.58 117.03 5mdh h GLU 221 Ca 0.00 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 5mdh h GLU 221 Cb 0.00 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 5mdh h GLU 221 CO 0.00 0.43 0.36 0.35 -0.73 0.00 0.00 179.01 179.42 5mdh h PHE 222 N 0.67 0.66 0.02 0.92 3.57 -1.56 0.47 116.94 121.70 5mdh h PHE 222 Ca 0.29 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 5mdh h PHE 222 Cb 0.19 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.73 5mdh h PHE 222 CO -0.08 0.31 -0.01 0.82 -2.23 0.00 0.00 178.31 177.12 5mdh h ILE 223 N 0.67 1.20 -0.76 1.41 1.08 -1.57 -2.94 117.51 116.59 5mdh h ILE 223 Ca 0.30 -0.70 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 5mdh h ILE 223 Cb 0.20 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 5mdh h ILE 223 CO -0.19 0.18 0.47 0.74 -0.69 0.00 0.00 178.15 178.66 5mdh h THR 224 N -0.34 1.21 0.18 -0.27 2.02 -1.19 -1.54 112.91 112.98 5mdh h THR 224 Ca -0.00 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.75 5mdh h THR 224 Cb 0.32 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 5mdh h THR 224 CO 0.01 0.21 -0.30 0.74 0.37 0.00 0.00 175.52 176.54 5mdh h THR 225 N 1.04 0.35 -0.43 3.16 2.02 -0.92 -0.49 112.91 117.65 5mdh h THR 225 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 5mdh h THR 225 Cb -0.06 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 5mdh h THR 225 CO -0.05 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.64 5mdh h VAL 226 N -0.56 1.16 -0.71 3.16 2.07 -1.36 -0.71 116.25 119.30 5mdh h VAL 226 Ca 0.02 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.10 5mdh h VAL 226 Cb 0.56 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 5mdh h VAL 226 CO -0.14 0.17 0.45 1.56 0.02 0.00 0.00 177.57 179.64 5mdh h GLN 227 N 0.55 0.95 -0.01 1.57 4.20 -1.18 -2.79 115.11 118.42 5mdh h GLN 227 Ca 0.15 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.79 5mdh h GLN 227 Cb 0.07 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.65 5mdh h GLN 227 CO -0.02 0.65 -0.26 1.04 -0.67 0.00 0.00 178.83 179.57 5mdh n GLN 228 N -4.56 0.64 -0.20 1.46 1.13 -0.20 -4.33 117.38 111.31 5mdh n GLN 228 Ca 0.06 -0.34 -0.01 0.00 -1.94 0.00 0.00 57.00 54.77 5mdh n GLN 228 Cb 0.03 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 28.95 5mdh n GLN 228 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 5mdh h ARG 229 N 0.84 -0.00 -0.64 -1.09 9.65 -0.83 0.14 114.38 122.44 5mdh h ARG 229 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 5mdh h ARG 229 Cb 0.47 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 5mdh h ARG 229 CO 0.00 -0.00 0.40 0.78 2.80 0.00 0.00 179.97 183.95 5mdh h GLY 230 N -0.00 0.92 1.48 2.80 0.00 -1.79 -1.20 103.07 105.28 5mdh h GLY 230 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 5mdh h GLY 230 CO -0.63 0.36 0.04 0.00 0.00 0.00 0.00 176.54 176.30 5mdh h ALA 231 N 1.21 1.29 -0.21 3.60 0.00 -1.54 -2.81 119.26 120.80 5mdh h ALA 231 Ca 0.23 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 5mdh h ALA 231 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 5mdh h ALA 231 CO -0.05 0.49 -0.44 0.00 0.00 0.00 0.00 179.25 179.25 5mdh h ALA 232 N 1.42 0.85 -0.39 0.00 0.00 0.17 -1.60 119.26 119.72 5mdh h ALA 232 Ca 0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 5mdh h ALA 232 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 5mdh h ALA 232 CO 0.01 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.11 5mdh h VAL 233 N 0.42 1.27 -0.54 0.00 2.07 -1.05 -2.25 116.25 116.17 5mdh h VAL 233 Ca 0.03 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 5mdh h VAL 233 Cb 0.93 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 5mdh h VAL 233 CO 0.08 0.38 -0.01 0.40 0.02 0.00 0.00 177.57 178.45 5mdh h ILE 234 N 0.54 1.26 -0.71 4.57 2.04 -1.47 0.54 117.51 124.28 5mdh h ILE 234 Ca 0.10 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 5mdh h ILE 234 Cb 0.59 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 5mdh h ILE 234 CO 0.04 0.40 0.17 0.50 0.00 0.00 0.00 178.15 179.25 5mdh h LYS 235 N 0.86 1.15 0.03 2.37 3.11 -1.20 0.48 116.57 123.38 5mdh h LYS 235 Ca 0.16 -0.28 -0.00 0.00 -2.81 0.00 0.00 60.65 57.72 5mdh h LYS 235 Cb 0.52 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 5mdh h LYS 235 CO 0.03 1.01 -0.02 0.00 -2.81 0.00 0.00 179.45 177.66 5mdh h ALA 236 N 1.09 -0.05 -0.29 5.00 0.00 -1.04 -3.39 119.26 120.58 5mdh h ALA 236 Ca 0.22 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 5mdh h ALA 236 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 5mdh h ALA 236 CO 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 179.25 178.82 5mdh h ARG 237 N -1.01 0.68 0.00 0.00 3.08 -0.01 -3.47 114.38 113.65 5mdh h ARG 237 Ca -0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.70 5mdh h ARG 237 Cb 0.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 5mdh h ARG 237 CO 0.01 0.95 0.00 1.63 -1.07 0.00 0.00 179.97 181.49 5mdh n LYS 238 N -4.04 0.00 -3.82 0.04 4.01 0.17 -4.99 118.16 109.52 5mdh n LYS 238 Ca -0.02 0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.72 5mdh n LYS 238 Cb 0.52 -2.66 -0.10 0.00 -0.51 0.00 0.00 35.03 32.29 5mdh n LYS 238 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 5mdh s LEU 239 N 0.00 1.24 0.95 -0.35 1.43 -1.25 -5.01 118.68 115.69 5mdh s LEU 239 Ca 0.00 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 5mdh s LEU 239 Cb 0.00 0.90 0.16 0.00 0.03 0.00 0.00 46.19 47.28 5mdh s LEU 239 CO 0.00 -0.35 1.09 -0.94 0.23 0.00 0.00 176.35 176.38 5mdh s SER 240 N -1.10 2.89 0.64 2.29 1.04 -1.26 -3.78 113.70 114.42 5mdh s SER 240 Ca -0.12 1.62 -0.16 0.00 0.48 0.00 0.00 55.95 57.78 5mdh s SER 240 Cb -0.06 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 5mdh s SER 240 CO 0.02 -3.03 1.11 -0.94 0.98 0.00 0.00 173.24 171.39 5mdh s SER 241 N -3.11 5.20 0.00 7.02 1.04 -1.26 -4.90 113.70 117.69 5mdh s SER 241 Ca 0.65 2.03 0.00 0.00 0.48 0.00 0.00 55.95 59.11 5mdh s SER 241 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.36 5mdh s SER 241 CO 0.59 -1.57 0.00 0.00 0.98 0.00 0.00 173.24 173.24 5mdh n ALA 242 N -2.24 1.86 -0.07 5.32 0.00 -1.26 -4.67 120.51 119.44 5mdh n ALA 242 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 5mdh n ALA 242 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 5mdh n ALA 242 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 5mdh h MET 243 N 0.00 0.33 0.00 0.00 -1.53 -1.91 0.16 114.93 111.98 5mdh h MET 243 Ca 0.00 -0.02 -0.11 0.00 -3.44 0.00 0.00 59.70 56.13 5mdh h MET 243 Cb 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 30.96 5mdh h MET 243 CO 0.00 0.22 -0.52 0.66 0.14 0.00 0.00 176.91 177.41 5mdh h SER 244 N 0.34 0.00 -0.01 1.39 4.64 -1.97 -3.02 113.55 114.92 5mdh h SER 244 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 5mdh h SER 244 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 5mdh h SER 244 CO -0.02 0.52 -0.05 0.00 -0.87 0.00 0.00 176.83 176.41 5mdh h ALA 245 N 1.48 0.02 -0.82 5.18 0.00 -1.76 -2.73 119.26 120.63 5mdh h ALA 245 Ca -0.01 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.65 5mdh h ALA 245 Cb 1.22 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 5mdh h ALA 245 CO 0.07 -0.11 0.46 0.00 0.00 0.00 0.00 179.25 179.67 5mdh h ALA 246 N 0.34 1.18 -0.50 0.00 0.00 -0.77 -1.82 119.26 117.69 5mdh h ALA 246 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 5mdh h ALA 246 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 5mdh h ALA 246 CO 0.01 0.07 0.05 -0.22 0.00 0.00 0.00 179.25 179.16 5mdh h LYS 247 N 0.76 0.84 0.00 0.00 3.11 -1.60 -0.92 116.57 118.77 5mdh h LYS 247 Ca 0.40 -0.24 -0.09 0.00 -2.81 0.00 0.00 60.65 57.91 5mdh h LYS 247 Cb 0.40 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 5mdh h LYS 247 CO -0.26 0.86 -0.43 0.00 -2.81 0.00 0.00 179.45 176.81 5mdh h ALA 248 N 0.95 1.28 -0.32 5.00 0.00 -1.19 0.70 119.26 125.68 5mdh h ALA 248 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 5mdh h ALA 248 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 5mdh h ALA 248 CO 0.02 0.53 -0.24 0.82 0.00 0.00 0.00 179.25 180.38 5mdh h ILE 249 N 0.00 1.29 -0.44 0.00 2.04 -1.18 0.42 117.51 119.64 5mdh h ILE 249 Ca -0.00 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.49 5mdh h ILE 249 Cb 0.76 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 5mdh h ILE 249 CO 0.06 0.45 0.27 0.00 0.00 0.00 0.00 178.15 178.92 5mdh h ASP 251 N 0.54 1.01 -0.12 0.00 3.32 -0.65 -1.74 116.42 118.78 5mdh h ASP 251 Ca 0.17 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 5mdh h ASP 251 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 5mdh h ASP 251 CO -0.07 1.10 0.06 -0.74 -1.72 0.00 0.00 179.24 177.87 5mdh h HIS 252 N 0.91 0.18 -0.12 4.55 2.76 -0.76 -1.57 115.15 121.09 5mdh h HIS 252 Ca 0.15 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.15 5mdh h HIS 252 Cb 0.61 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 5mdh h HIS 252 CO 0.04 0.23 -0.62 0.28 -1.30 0.00 0.00 177.93 176.57 5mdh h VAL 253 N 0.07 1.35 -0.66 5.26 2.07 -1.09 -2.13 116.25 121.13 5mdh h VAL 253 Ca 0.04 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 5mdh h VAL 253 Cb 0.12 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 5mdh h VAL 253 CO -0.01 0.59 0.21 -0.09 0.02 0.00 0.00 177.57 178.29 5mdh h ARG 254 N 0.32 1.03 -0.07 1.57 2.43 -1.31 0.21 114.38 118.56 5mdh h ARG 254 Ca -0.01 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 58.84 5mdh h ARG 254 Cb 1.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 5mdh h ARG 254 CO 0.11 0.90 -0.43 -0.44 -1.51 0.00 0.00 179.97 178.60 5mdh h ASP 255 N 0.96 0.17 0.01 -3.80 3.32 -1.16 0.35 116.42 116.27 5mdh h ASP 255 Ca 0.21 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 5mdh h ASP 255 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 5mdh h ASP 255 CO -0.01 0.58 -0.01 0.40 -1.72 0.00 0.00 179.24 178.49 5mdh h ILE 256 N 0.14 1.27 -0.35 0.35 2.04 -0.89 0.18 117.51 120.25 5mdh h ILE 256 Ca 0.01 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 5mdh h ILE 256 Cb 0.81 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 5mdh h ILE 256 CO 0.06 0.22 -0.19 -0.25 0.00 0.00 0.00 178.15 178.00 5mdh h TRP 257 N -0.38 0.72 -0.00 1.37 2.91 -0.34 -3.28 115.95 116.94 5mdh h TRP 257 Ca -0.00 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.88 5mdh h TRP 257 Cb 0.37 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 5mdh h TRP 257 CO 0.05 0.79 -0.36 1.19 -1.03 0.00 0.00 178.44 179.08 5mdh n PHE 258 N -4.14 0.00 0.00 2.65 3.72 0.12 -4.74 117.46 115.07 5mdh n PHE 258 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 5mdh n PHE 258 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 5mdh n PHE 258 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5mdh n GLY 259 N 1.15 -0.20 3.89 1.37 0.00 0.63 -4.92 105.19 107.11 5mdh n GLY 259 Ca 0.02 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 5mdh n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 5mdh s THR 260 N -2.71 4.99 0.59 2.61 -4.23 -1.07 -4.71 115.64 111.11 5mdh s THR 260 Ca 0.00 0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 5mdh s THR 260 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 5mdh s THR 260 CO 0.00 -0.14 1.05 -2.84 -0.54 0.00 0.00 174.62 172.15 5mdh s PRO 261 N -3.04 3.36 0.09 3.99 0.02 -1.26 -4.84 135.00 133.32 5mdh s PRO 261 Ca 0.46 1.20 -0.37 0.00 0.02 0.00 0.00 61.00 62.31 5mdh s PRO 261 Cb -0.11 -2.04 -0.17 0.00 0.02 0.00 0.00 34.50 32.20 5mdh s PRO 261 CO 0.24 -0.78 1.35 -0.85 -0.33 0.00 0.00 177.00 176.64 5mdh n GLU 262 N -1.97 1.18 -2.38 5.54 0.28 -1.26 -1.54 120.64 120.49 5mdh n GLU 262 Ca 0.09 0.43 -0.13 0.00 -0.16 0.00 0.00 57.16 57.38 5mdh n GLU 262 Cb 0.53 -2.08 0.00 0.00 1.43 0.00 0.00 31.44 31.32 5mdh n GLU 262 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 5mdh n GLY 263 N 2.57 -0.13 3.17 -1.84 0.00 -1.26 -5.02 105.19 102.68 5mdh n GLY 263 Ca 0.18 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 5mdh n GLY 263 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 5mdh s GLU 264 N -4.81 0.33 0.20 1.61 2.12 -0.59 -4.95 118.70 112.60 5mdh s GLU 264 Ca 0.05 0.42 0.09 0.00 0.36 0.00 0.00 54.97 55.89 5mdh s GLU 264 Cb -0.02 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 5mdh s GLU 264 CO 0.07 -0.05 -0.18 -0.59 -0.54 0.00 0.00 175.26 173.97 5mdh s PHE 265 N 0.25 1.89 0.17 5.30 -0.12 -1.26 -4.46 117.98 119.75 5mdh s PHE 265 Ca -0.01 -0.47 0.07 0.00 -0.05 0.00 0.00 56.93 56.47 5mdh s PHE 265 Cb -0.03 -0.90 -0.04 0.00 -0.63 0.00 0.00 43.02 41.42 5mdh s PHE 265 CO -0.00 0.41 -0.13 0.14 -0.05 0.00 0.00 175.22 175.58 5mdh s VAL 266 N -2.36 1.54 0.06 -2.49 -7.23 -0.44 -4.50 120.40 104.98 5mdh s VAL 266 Ca 0.20 -2.08 -0.27 0.00 -1.81 0.00 0.00 61.98 58.02 5mdh s VAL 266 Cb -0.04 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 5mdh s VAL 266 CO 0.08 -0.59 0.86 -0.44 -0.31 0.00 0.00 175.10 174.70 5mdh s SER 267 N -3.11 7.34 -0.16 4.85 0.01 -1.26 -1.59 113.70 119.78 5mdh s SER 267 Ca 0.19 1.60 -0.09 0.00 1.31 0.00 0.00 55.95 58.95 5mdh s SER 267 Cb -0.01 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.75 5mdh s SER 267 CO 0.05 -0.05 0.38 -0.32 0.41 0.00 0.00 173.24 173.71 5mdh s MET 268 N 0.10 0.38 -0.15 12.44 1.75 -0.11 -4.27 119.30 129.44 5mdh s MET 268 Ca 0.43 0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 55.29 5mdh s MET 268 Cb -0.22 0.00 -0.01 0.00 2.84 0.00 0.00 34.83 37.45 5mdh s MET 268 CO 0.26 -0.14 0.99 0.20 -0.65 0.00 0.00 175.02 175.68 5mdh s GLY 269 N 1.17 2.15 0.23 2.11 0.00 -0.82 -1.68 107.32 110.49 5mdh s GLY 269 Ca -0.08 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 5mdh s GLY 269 CO -0.10 1.95 0.26 -0.26 0.00 0.00 0.00 173.10 174.95 5mdh s ILE 270 N 2.34 0.00 0.36 0.90 -4.36 -0.68 -1.43 121.20 118.32 5mdh s ILE 270 Ca 0.46 -1.81 -0.28 0.00 -0.26 0.00 0.00 60.65 58.76 5mdh s ILE 270 Cb -0.17 -2.43 -0.10 0.00 1.25 0.00 0.00 42.46 41.01 5mdh s ILE 270 CO 0.14 0.00 1.31 -0.51 0.24 0.00 0.00 174.94 176.12 5mdh s ILE 271 N -3.99 2.66 -2.27 8.37 1.10 -1.26 -2.18 121.20 123.64 5mdh s ILE 271 Ca 0.34 0.64 0.20 0.00 -0.51 0.00 0.00 60.65 61.32 5mdh s ILE 271 Cb 0.04 -3.40 0.43 0.00 0.15 0.00 0.00 42.46 39.68 5mdh s ILE 271 CO 0.13 0.14 1.48 -1.54 -2.11 0.00 0.00 174.94 173.04 5mdh n SER 272 N 0.57 2.03 -4.54 4.50 3.41 -0.16 -4.89 113.62 114.54 5mdh n SER 272 Ca 0.01 -1.80 -0.49 0.00 -0.26 0.00 0.00 58.87 56.33 5mdh n SER 272 Cb 0.42 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 5mdh n SER 272 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 5mdh n ASP 273 N 0.57 2.63 0.00 4.04 8.00 -1.26 -1.99 116.55 128.54 5mdh n ASP 273 Ca 0.16 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.17 5mdh n ASP 273 Cb 0.38 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 5mdh n ASP 273 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5mdh n GLY 274 N 5.86 0.82 3.35 0.44 0.00 -1.26 -5.05 105.19 109.34 5mdh n GLY 274 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 5mdh n GLY 274 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5mdh n ASN 275 N 0.00 -2.56 -0.90 1.61 0.23 -0.84 -4.89 115.26 107.91 5mdh n ASN 275 Ca 0.00 0.43 0.08 0.00 -0.53 0.00 0.00 54.58 54.55 5mdh n ASN 275 Cb 0.00 -1.11 0.24 0.00 -2.08 0.00 0.00 39.78 36.83 5mdh n ASN 275 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 5mdh n SER 276 N 0.22 3.70 -1.32 0.53 7.64 -1.26 -4.63 113.62 118.50 5mdh n SER 276 Ca 0.07 -2.63 0.09 0.00 1.01 0.00 0.00 58.87 57.40 5mdh n SER 276 Cb 0.52 -0.45 0.31 0.00 -1.01 0.00 0.00 64.21 63.58 5mdh n SER 276 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 5mdh n TYR 277 N 0.00 1.25 -2.27 1.43 4.01 -1.26 -4.96 117.16 115.37 5mdh n TYR 277 Ca 0.19 -0.65 -0.05 0.00 -0.16 0.00 0.00 57.90 57.23 5mdh n TYR 277 Cb 0.75 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 5mdh n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5mdh n GLY 278 N 0.70 0.28 3.36 2.72 0.00 -1.26 -5.04 105.19 105.94 5mdh n GLY 278 Ca 0.23 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 5mdh n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5mdh s VAL 279 N -2.46 3.03 0.64 1.61 1.01 -1.26 -4.98 120.40 117.99 5mdh s VAL 279 Ca 0.04 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 5mdh s VAL 279 Cb -0.02 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 5mdh s VAL 279 CO 0.04 0.52 0.18 -2.65 0.00 0.00 0.00 175.10 173.19 5mdh n PRO 280 N 3.66 0.23 -1.96 2.72 -0.02 -1.26 -4.79 135.00 133.57 5mdh n PRO 280 Ca -0.18 0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 5mdh n PRO 280 Cb 0.52 -1.44 0.17 0.00 -0.02 0.00 0.00 33.50 32.74 5mdh n PRO 280 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 5mdh s ASP 281 N -1.19 3.29 -1.61 2.55 1.01 -1.26 -4.39 116.67 115.06 5mdh s ASP 281 Ca 0.61 0.27 0.00 0.00 0.71 0.00 0.00 52.55 54.14 5mdh s ASP 281 Cb -0.41 -0.37 0.00 0.00 1.01 0.00 0.00 42.92 43.16 5mdh s ASP 281 CO 0.62 -2.63 0.00 -0.67 0.21 0.00 0.00 175.17 172.71 5mdh n ASP 282 N -3.68 -5.00 -4.44 0.27 2.03 -1.26 -4.90 116.55 99.57 5mdh n ASP 282 Ca 0.15 0.19 -0.25 0.00 0.52 0.00 0.00 54.79 55.39 5mdh n ASP 282 Cb 0.60 -4.04 -0.11 0.00 -0.72 0.00 0.00 41.12 36.84 5mdh n ASP 282 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 5mdh s LEU 283 N -4.36 2.50 -0.65 -2.67 1.43 -1.26 -4.97 118.68 108.70 5mdh s LEU 283 Ca 0.00 -0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 52.11 5mdh s LEU 283 Cb 0.00 -1.12 0.17 0.00 0.03 0.00 0.00 46.19 45.27 5mdh s LEU 283 CO 0.00 0.08 0.50 -0.22 0.23 0.00 0.00 176.35 176.93 5mdh s LEU 284 N -3.02 5.61 -0.03 1.79 0.20 -1.26 -0.99 118.68 120.99 5mdh s LEU 284 Ca 0.24 -2.71 0.03 0.00 0.69 0.00 0.00 54.13 52.38 5mdh s LEU 284 Cb -0.07 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 5mdh s LEU 284 CO 0.12 -0.45 -0.09 -0.47 -0.29 0.00 0.00 176.35 175.17 5mdh s TYR 285 N 0.15 2.84 -0.13 5.38 6.14 -0.92 -4.77 117.35 126.04 5mdh s TYR 285 Ca 0.16 -0.06 -0.25 0.00 0.64 0.00 0.00 57.07 57.55 5mdh s TYR 285 Cb -0.19 -1.63 -0.02 0.00 0.42 0.00 0.00 41.96 40.54 5mdh s TYR 285 CO -0.04 0.31 0.82 0.45 0.64 0.00 0.00 175.55 177.73 5mdh s SER 286 N -1.09 7.01 0.20 4.32 0.15 0.28 -1.69 113.70 122.88 5mdh s SER 286 Ca 0.14 1.23 0.09 0.00 0.70 0.00 0.00 55.95 58.11 5mdh s SER 286 Cb -0.11 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 5mdh s SER 286 CO 0.04 -0.32 -0.17 -0.36 1.20 0.00 0.00 173.24 173.63 5mdh s PHE 287 N 1.73 1.83 -0.22 3.44 0.08 -0.67 -1.65 117.98 122.52 5mdh s PHE 287 Ca 0.40 -0.50 -0.29 0.00 0.12 0.00 0.00 56.93 56.66 5mdh s PHE 287 Cb -0.17 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 5mdh s PHE 287 CO 0.15 0.40 1.09 -1.25 -0.10 0.00 0.00 175.22 175.51 5mdh s PRO 288 N -3.33 4.25 0.19 0.24 0.04 -1.26 -0.93 135.00 134.20 5mdh s PRO 288 Ca 0.21 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.71 5mdh s PRO 288 Cb -0.03 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 5mdh s PRO 288 CO 0.08 -0.65 -0.05 0.14 0.04 0.00 0.00 177.00 176.56 5mdh s VAL 289 N 3.27 1.10 -0.00 -0.36 -7.23 -0.62 -1.74 120.40 114.81 5mdh s VAL 289 Ca 0.46 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.66 5mdh s VAL 289 Cb -0.16 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 5mdh s VAL 289 CO 0.08 -0.52 -0.26 0.42 -0.31 0.00 0.00 175.10 174.51 5mdh s THR 290 N -3.37 2.09 0.07 5.32 -4.23 -0.28 -1.33 115.64 113.92 5mdh s THR 290 Ca 0.23 -1.17 0.10 0.00 -1.18 0.00 0.00 61.69 59.67 5mdh s THR 290 Cb 0.04 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 5mdh s THR 290 CO 0.05 0.53 -0.26 -0.63 -0.54 0.00 0.00 174.62 173.77 5mdh s ILE 291 N -0.66 2.26 -0.29 2.99 1.01 -1.26 -0.08 121.20 125.17 5mdh s ILE 291 Ca 0.10 -1.49 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 5mdh s ILE 291 Cb -0.10 -1.93 0.10 0.00 0.01 0.00 0.00 42.46 40.54 5mdh s ILE 291 CO -0.00 0.27 0.68 -0.75 0.00 0.00 0.00 174.94 175.14 5mdh s LYS 292 N -1.54 0.66 -1.62 2.79 2.20 -0.55 -2.59 119.74 119.10 5mdh s LYS 292 Ca 0.13 1.30 -0.03 0.00 -0.36 0.00 0.00 55.97 57.01 5mdh s LYS 292 Cb -0.10 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 5mdh s LYS 292 CO 0.04 -0.17 0.34 -0.25 -0.36 0.00 0.00 175.35 174.96 5mdh n ASP 293 N 4.68 -5.88 0.00 1.43 8.00 -1.26 -1.41 116.55 122.11 5mdh n ASP 293 Ca -0.17 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.16 5mdh n ASP 293 Cb 0.56 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 5mdh n ASP 293 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 5mdh n LYS 294 N -3.58 -0.33 -4.45 -1.24 5.02 -1.24 -5.00 118.16 107.35 5mdh n LYS 294 Ca -0.16 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 5mdh n LYS 294 Cb 0.64 -3.34 -0.13 0.00 -0.02 0.00 0.00 35.03 32.19 5mdh n LYS 294 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 5mdh s THR 295 N -2.30 3.63 0.32 -0.18 2.01 -0.50 -4.96 115.64 113.66 5mdh s THR 295 Ca 0.00 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 5mdh s THR 295 Cb 0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 5mdh s THR 295 CO 0.00 0.49 0.58 -1.66 -0.69 0.00 0.00 174.62 173.34 5mdh s TRP 296 N 0.47 3.49 -0.09 4.92 1.48 -1.26 -1.48 118.94 126.47 5mdh s TRP 296 Ca -0.05 0.61 -0.03 0.00 -1.06 0.00 0.00 56.10 55.57 5mdh s TRP 296 Cb -0.15 -2.09 0.05 0.00 -1.16 0.00 0.00 33.47 30.12 5mdh s TRP 296 CO 0.03 0.12 0.17 0.21 -4.06 0.00 0.00 176.95 173.43 5mdh s LYS 297 N -3.78 0.08 0.32 3.25 2.20 0.89 -4.96 119.74 117.74 5mdh s LYS 297 Ca 0.44 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.28 5mdh s LYS 297 Cb -0.10 -0.20 -0.11 0.00 -1.51 0.00 0.00 37.83 35.90 5mdh s LYS 297 CO 0.32 -0.25 1.51 0.42 -0.36 0.00 0.00 175.35 176.99 5mdh s ILE 298 N 1.85 2.19 0.03 5.43 1.01 -1.26 -1.12 121.20 129.33 5mdh s ILE 298 Ca -0.02 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 5mdh s ILE 298 Cb -0.12 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 5mdh s ILE 298 CO -0.06 0.03 1.31 -0.69 0.00 0.00 0.00 174.94 175.53 5mdh s VAL 299 N -0.55 3.81 0.18 2.92 1.01 -0.71 -4.88 120.40 122.17 5mdh s VAL 299 Ca 0.57 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.86 5mdh s VAL 299 Cb -0.46 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 5mdh s VAL 299 CO 0.54 0.05 0.05 -1.61 0.00 0.00 0.00 175.10 174.12 5mdh s GLU 300 N 1.73 2.57 0.00 2.72 2.02 -1.26 -4.63 118.70 121.86 5mdh s GLU 300 Ca 0.61 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.56 5mdh s GLU 300 Cb -0.31 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.47 5mdh s GLU 300 CO 0.27 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.42 5mdh n GLY 301 N -0.24 0.62 3.67 -1.39 0.00 -1.26 -5.03 105.19 101.56 5mdh n GLY 301 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 5mdh n GLY 301 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5mdh s LEU 302 N 0.00 4.31 -0.07 0.99 1.43 -1.26 -4.93 118.68 119.15 5mdh s LEU 302 Ca 0.00 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 5mdh s LEU 302 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 5mdh s LEU 302 CO 0.00 -0.83 1.35 -2.16 0.23 0.00 0.00 176.35 174.94 5mdh s PRO 303 N 3.20 4.27 -0.40 1.29 0.04 -1.26 -4.99 135.00 137.15 5mdh s PRO 303 Ca 0.68 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 5mdh s PRO 303 Cb -0.32 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.55 5mdh s PRO 303 CO 0.27 -0.63 0.27 0.42 0.04 0.00 0.00 177.00 177.37 5mdh s ILE 304 N 2.96 5.07 0.95 0.56 -1.09 -1.26 -4.99 121.20 123.41 5mdh s ILE 304 Ca 0.61 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 58.17 5mdh s ILE 304 Cb -0.27 -3.82 0.23 0.00 -1.58 0.00 0.00 42.46 37.02 5mdh s ILE 304 CO 0.22 -0.28 1.05 -0.46 -1.23 0.00 0.00 174.94 174.24 5mdh n ASN 305 N 5.11 -0.92 -0.01 3.58 2.04 -1.26 -4.77 115.26 119.03 5mdh n ASN 305 Ca -0.11 -1.25 -0.13 0.00 -0.44 0.00 0.00 54.58 52.65 5mdh n ASN 305 Cb 0.47 -0.87 -0.09 0.00 -2.53 0.00 0.00 39.78 36.75 5mdh n ASN 305 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 5mdh h ASP 306 N -2.00 0.04 -0.94 0.53 3.32 -1.99 -0.65 116.42 114.73 5mdh h ASP 306 Ca -0.36 -0.37 0.15 0.00 0.02 0.00 0.00 57.03 56.47 5mdh h ASP 306 Cb 1.06 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.50 5mdh h ASP 306 CO 0.25 0.40 0.54 0.15 -1.72 0.00 0.00 179.24 178.86 5mdh h PHE 307 N -0.33 0.96 0.02 4.55 3.04 -1.94 -0.87 116.94 122.37 5mdh h PHE 307 Ca 0.00 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.77 5mdh h PHE 307 Cb 0.38 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 5mdh h PHE 307 CO 0.05 0.27 -0.95 0.77 -2.02 0.00 0.00 178.31 176.43 5mdh h SER 308 N 0.77 0.30 0.36 0.41 0.02 -1.88 -3.31 113.55 110.22 5mdh h SER 308 Ca 0.51 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 5mdh h SER 308 Cb 0.68 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 5mdh h SER 308 CO -0.34 1.09 -0.48 -0.09 -1.14 0.00 0.00 176.83 175.88 5mdh h ARG 309 N 0.11 -0.83 -7.00 3.45 9.65 0.22 -2.57 114.38 117.41 5mdh h ARG 309 Ca -0.06 0.06 -0.51 0.00 -1.10 0.00 0.00 59.98 58.36 5mdh h ARG 309 Cb 1.61 0.19 0.07 0.00 -1.39 0.00 0.00 29.97 30.45 5mdh h ARG 309 CO 0.15 -0.55 0.51 -2.00 2.80 0.00 0.00 179.97 180.87 5mdh s GLU 310 N -5.59 3.75 0.00 0.20 2.12 -0.65 -1.59 118.70 116.93 5mdh s GLU 310 Ca -0.16 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.02 5mdh s GLU 310 Cb 0.04 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.99 5mdh s GLU 310 CO 0.55 -0.58 0.00 1.63 -0.54 0.00 0.00 175.26 176.32 5mdh n LYS 311 N -0.43 0.00 -0.26 4.30 4.76 -1.26 -4.63 118.16 120.64 5mdh n LYS 311 Ca 0.07 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 5mdh n LYS 311 Cb 0.47 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.73 5mdh n LYS 311 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 5mdh h MET 312 N 0.00 0.93 -0.04 1.97 2.86 -1.17 -0.61 114.93 118.88 5mdh h MET 312 Ca 0.00 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 5mdh h MET 312 Cb 0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 5mdh h MET 312 CO 0.00 0.62 -0.56 -0.44 1.06 0.00 0.00 176.91 177.59 5mdh h ASP 313 N 0.96 0.12 0.02 1.22 3.32 -1.56 -2.85 116.42 117.66 5mdh h ASP 313 Ca 0.27 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 5mdh h ASP 313 Cb -0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 5mdh h ASP 313 CO -0.07 0.65 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.50 5mdh h LEU 314 N 0.08 0.61 -0.36 1.55 3.38 -1.53 -1.71 115.31 117.33 5mdh h LEU 314 Ca -0.00 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 5mdh h LEU 314 Cb 1.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 5mdh h LEU 314 CO 0.08 1.02 -0.24 0.74 0.09 0.00 0.00 178.44 180.13 5mdh h THR 315 N 0.43 1.28 -0.31 0.22 2.02 -1.16 -2.07 112.91 113.32 5mdh h THR 315 Ca 0.01 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.82 5mdh h THR 315 Cb 1.07 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 5mdh h THR 315 CO 0.10 0.46 0.15 0.00 0.37 0.00 0.00 175.52 176.60 5mdh h ALA 316 N 0.78 0.37 -0.58 6.16 0.00 -1.43 -0.24 119.26 124.31 5mdh h ALA 316 Ca 0.07 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 5mdh h ALA 316 Cb 0.81 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 5mdh h ALA 316 CO 0.07 -0.23 0.25 -0.22 0.00 0.00 0.00 179.25 179.12 5mdh h LYS 317 N 0.32 0.46 -0.74 0.00 3.64 -1.29 -0.64 116.57 118.32 5mdh h LYS 317 Ca 0.13 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 5mdh h LYS 317 Cb 0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 5mdh h LYS 317 CO -0.09 0.30 0.28 1.49 -2.27 0.00 0.00 179.45 179.16 5mdh h GLU 318 N 0.47 1.12 -0.14 1.90 4.81 -1.04 -2.13 114.58 119.57 5mdh h GLU 318 Ca 0.28 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 5mdh h GLU 318 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 5mdh h GLU 318 CO -0.24 0.93 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.76 5mdh h LEU 319 N 1.08 0.22 -0.28 1.64 3.38 -0.12 -1.99 115.31 119.23 5mdh h LEU 319 Ca 0.24 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 5mdh h LEU 319 Cb 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 5mdh h LEU 319 CO -0.02 0.39 -0.20 0.00 0.09 0.00 0.00 178.44 178.70 5mdh h ALA 320 N 1.64 0.40 0.06 1.53 0.00 -0.67 -0.89 119.26 121.33 5mdh h ALA 320 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.62 5mdh h ALA 320 Cb 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 5mdh h ALA 320 CO 0.02 0.35 -0.27 0.93 0.00 0.00 0.00 179.25 180.28 5mdh h GLU 321 N 0.37 -0.43 -0.69 0.00 5.08 -1.06 0.64 114.58 118.49 5mdh h GLU 321 Ca 0.05 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 5mdh h GLU 321 Cb 0.75 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 5mdh h GLU 321 CO 0.05 -0.29 0.46 0.93 -1.00 0.00 0.00 179.01 179.16 5mdh h GLU 322 N -0.44 0.83 -0.48 2.33 5.08 -1.34 -1.37 114.58 119.19 5mdh h GLU 322 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 5mdh h GLU 322 Cb 0.50 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 5mdh h GLU 322 CO -0.19 0.55 0.27 -0.22 -1.00 0.00 0.00 179.01 178.41 5mdh h LYS 323 N 0.86 0.66 0.03 2.33 3.64 0.13 -1.68 116.57 122.55 5mdh h LYS 323 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 5mdh h LYS 323 Cb 0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 5mdh h LYS 323 CO -0.07 0.52 -0.04 0.93 -2.27 0.00 0.00 179.45 178.51 5mdh h GLU 324 N 0.63 -0.08 0.39 1.90 5.08 -0.30 -1.76 114.58 120.43 5mdh h GLU 324 Ca 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 5mdh h GLU 324 Cb 0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 5mdh h GLU 324 CO -0.03 -0.06 -0.20 1.15 -1.00 0.00 0.00 179.01 178.88 5mdh h THR 325 N -0.09 0.59 -0.88 1.13 2.02 -1.13 -0.10 112.91 114.45 5mdh h THR 325 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 5mdh h THR 325 Cb 0.09 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 5mdh h THR 325 CO -0.02 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.45 5mdh h ALA 326 N 0.07 1.12 -0.19 6.16 0.00 -1.35 -1.05 119.26 124.01 5mdh h ALA 326 Ca -0.05 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 5mdh h ALA 326 Cb 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.86 5mdh h ALA 326 CO 0.08 0.53 -0.68 0.74 0.00 0.00 0.00 179.25 179.92 5mdh h PHE 327 N 1.20 0.96 0.30 0.00 0.04 -1.25 0.11 116.94 118.30 5mdh h PHE 327 Ca 0.32 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 5mdh h PHE 327 Cb -0.13 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 5mdh h PHE 327 CO -0.01 1.20 -0.27 1.49 -0.60 0.00 0.00 178.31 180.12 5mdh h GLU 328 N 0.53 -0.57 -0.42 1.51 4.81 -0.76 -2.62 114.58 117.05 5mdh h GLU 328 Ca -0.02 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 5mdh h GLU 328 Cb 1.28 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.74 5mdh h GLU 328 CO 0.14 -0.38 0.14 0.35 -0.73 0.00 0.00 179.01 178.53 5mdh h PHE 329 N -0.59 0.24 0.00 0.92 3.57 -1.04 -2.07 116.94 117.97 5mdh h PHE 329 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 5mdh h PHE 329 Cb 0.53 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.22 5mdh h PHE 329 CO -0.16 0.08 0.00 -0.07 -2.23 0.00 0.00 178.31 175.94 5mdh h LEU 330 N 0.29 0.00 0.13 0.59 -0.00 -0.62 -3.19 115.31 112.51 5mdh h LEU 330 Ca 0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.71 5mdh h LEU 330 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 5mdh h LEU 330 CO -0.21 0.00 -1.97 0.77 -0.00 0.00 0.00 178.44 177.03 5mdh h SER 331 N 0.00 0.44 -0.41 -0.43 4.64 -1.19 -3.39 113.55 113.21 5mdh h SER 331 Ca 0.00 -0.95 0.09 0.00 -0.47 0.00 0.00 61.79 60.46 5mdh h SER 331 Cb 0.51 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 62.37 5mdh h SER 331 CO 0.00 1.85 -0.23 0.28 -0.87 0.00 0.00 176.83 177.86 5mdh h SER 332 N 0.08 -0.78 0.00 4.97 0.02 -1.37 -3.52 113.55 112.95 5mdh h SER 332 Ca -0.41 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 5mdh h SER 332 Cb 2.04 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.99 5mdh h SER 332 CO 0.10 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.54