#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfi s MET 2 N 0.00 0.35 -0.09 0.54 0.23 -0.18 -1.83 119.30 118.32 1mfi s MET 2 Ca 0.00 -0.14 0.03 0.00 -1.03 0.00 0.00 55.69 54.55 1mfi s MET 2 Cb 0.00 -0.35 0.01 0.00 -1.53 0.00 0.00 34.83 32.96 1mfi s MET 2 CO 0.00 0.07 -0.18 0.12 -2.03 0.00 0.00 175.02 173.00 1mfi s PHE 3 N -0.01 2.08 -0.06 3.16 5.36 0.21 -1.07 117.98 127.65 1mfi s PHE 3 Ca 0.01 -0.88 0.05 0.00 -0.96 0.00 0.00 56.93 55.15 1mfi s PHE 3 Cb -0.03 -1.45 -0.00 0.00 -0.34 0.00 0.00 43.02 41.20 1mfi s PHE 3 CO -0.00 -0.40 -0.21 0.42 -1.46 0.00 0.00 175.22 173.56 1mfi s ILE 4 N 0.63 1.79 -0.11 3.12 1.01 -0.30 -0.15 121.20 127.19 1mfi s ILE 4 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1mfi s ILE 4 Cb -0.16 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1mfi s ILE 4 CO 0.04 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.69 1mfi s VAL 5 N 0.05 1.22 -0.14 2.92 1.01 0.95 -1.48 120.40 124.93 1mfi s VAL 5 Ca -0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1mfi s VAL 5 Cb -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1mfi s VAL 5 CO 0.04 0.39 -0.10 0.20 0.00 0.00 0.00 175.10 175.63 1mfi s ASN 6 N 1.40 4.24 0.06 3.32 0.01 0.03 0.41 114.94 124.40 1mfi s ASN 6 Ca 0.00 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.75 1mfi s ASN 6 Cb -0.13 -1.66 0.02 0.00 0.41 0.00 0.00 41.25 39.88 1mfi s ASN 6 CO -0.06 0.16 0.29 0.28 -1.51 0.00 0.00 177.10 176.26 1mfi s THR 7 N 0.37 0.09 -1.99 1.60 -1.32 -0.19 -0.87 115.64 113.32 1mfi s THR 7 Ca -0.09 -0.75 0.28 0.00 -1.21 0.00 0.00 61.69 59.91 1mfi s THR 7 Cb -0.15 -1.01 0.42 0.00 -1.51 0.00 0.00 72.50 70.25 1mfi s THR 7 CO 0.05 -0.42 1.71 -0.46 -2.21 0.00 0.00 174.62 173.29 1mfi n ASN 8 N 0.43 1.03 -4.71 8.08 6.94 -1.23 -0.92 115.26 124.89 1mfi n ASN 8 Ca -0.18 -1.04 -0.42 0.00 -0.02 0.00 0.00 54.58 52.92 1mfi n ASN 8 Cb 0.60 0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 38.04 1mfi n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mfi s VAL 9 N -2.31 2.79 0.70 3.53 1.01 -1.26 -4.20 120.40 120.65 1mfi s VAL 9 Ca 0.31 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1mfi s VAL 9 Cb 0.20 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1mfi s VAL 9 CO 0.44 0.04 1.18 -0.81 0.00 0.00 0.00 175.10 175.95 1mfi n PRO 10 N 4.15 0.76 -0.33 2.72 -0.04 -1.26 -1.39 135.00 139.61 1mfi n PRO 10 Ca 0.14 0.32 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 1mfi n PRO 10 Cb 0.39 -2.42 0.18 0.00 -0.04 0.00 0.00 33.50 31.61 1mfi n PRO 10 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1mfi h ARG 11 N 0.03 0.94 -0.27 0.54 2.43 -1.93 -1.29 114.38 114.83 1mfi h ARG 11 Ca -0.49 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 58.70 1mfi h ARG 11 Cb 1.33 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1mfi h ARG 11 CO 0.50 0.62 0.31 0.00 -1.51 0.00 0.00 179.97 179.88 1mfi h ALA 12 N 1.46 1.91 0.00 2.80 0.00 -2.03 -0.03 119.26 123.36 1mfi h ALA 12 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1mfi h ALA 12 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1mfi h ALA 12 CO -0.21 -0.44 -0.48 0.43 0.00 0.00 0.00 179.25 178.55 1mfi n SER 13 N -3.72 0.51 -4.64 0.00 7.64 -0.49 -4.77 113.62 108.15 1mfi n SER 13 Ca 0.04 -0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 1mfi n SER 13 Cb 0.45 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1mfi n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mfi s VAL 14 N -3.06 4.24 0.49 0.44 1.01 -0.03 -4.83 120.40 118.67 1mfi s VAL 14 Ca 0.10 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 1mfi s VAL 14 Cb 0.16 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1mfi s VAL 14 CO 0.69 -0.41 1.03 -2.65 0.00 0.00 0.00 175.10 173.75 1mfi n PRO 15 N 7.09 1.27 -0.28 2.72 -0.02 -1.26 -4.92 135.00 139.60 1mfi n PRO 15 Ca 0.14 0.46 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1mfi n PRO 15 Cb 0.46 -2.14 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1mfi n PRO 15 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mfi h GLU 16 N 1.22 0.79 -0.60 -0.52 4.39 -1.96 -2.75 114.58 115.15 1mfi h GLU 16 Ca -0.47 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1mfi h GLU 16 Cb 1.34 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1mfi h GLU 16 CO 0.55 0.52 0.00 0.41 -1.16 0.00 0.00 179.01 179.33 1mfi n GLY 17 N -1.31 1.93 0.26 -3.84 0.00 -1.26 -4.57 105.19 96.40 1mfi n GLY 17 Ca 0.12 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1mfi n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mfi h PHE 18 N 3.19 0.44 -0.24 1.61 3.57 -1.86 0.18 116.94 123.84 1mfi h PHE 18 Ca 0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 1mfi h PHE 18 Cb 1.02 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1mfi h PHE 18 CO 0.51 0.07 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.07 1mfi h LEU 19 N 0.42 0.76 -0.59 0.59 4.07 -1.83 -0.77 115.31 117.96 1mfi h LEU 19 Ca 0.37 -0.40 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1mfi h LEU 19 Cb 0.52 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1mfi h LEU 19 CO -0.37 1.14 -0.44 -1.28 -1.08 0.00 0.00 178.44 176.41 1mfi h SER 20 N 0.54 0.67 -0.33 -0.43 0.87 -1.79 -0.76 113.55 112.30 1mfi h SER 20 Ca 0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1mfi h SER 20 Cb 1.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1mfi h SER 20 CO 0.11 1.02 0.13 -0.08 -0.53 0.00 0.00 176.83 177.47 1mfi h GLU 21 N 0.51 0.50 -0.68 2.24 4.81 -0.41 -1.42 114.58 120.12 1mfi h GLU 21 Ca 0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1mfi h GLU 21 Cb 0.97 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1mfi h GLU 21 CO 0.09 0.51 0.37 -0.07 -0.73 0.00 0.00 179.01 179.18 1mfi h LEU 22 N 0.39 0.85 -0.22 1.64 3.38 -0.94 -0.13 115.31 120.27 1mfi h LEU 22 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mfi h LEU 22 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1mfi h LEU 22 CO -0.01 0.69 0.12 0.74 0.09 0.00 0.00 178.44 180.07 1mfi h THR 23 N 0.95 1.11 0.18 0.22 2.02 -0.67 0.29 112.91 117.02 1mfi h THR 23 Ca 0.24 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1mfi h THR 23 Cb 0.03 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1mfi h THR 23 CO -0.04 0.10 -0.09 1.56 0.37 0.00 0.00 175.52 177.43 1mfi h GLN 24 N 0.25 -0.24 -0.79 6.66 4.20 -0.74 -1.88 115.11 122.58 1mfi h GLN 24 Ca 0.08 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1mfi h GLN 24 Cb 0.06 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1mfi h GLN 24 CO -0.01 -0.12 0.48 1.96 -0.67 0.00 0.00 178.83 180.47 1mfi h GLN 25 N -0.30 0.86 -0.33 1.46 1.08 -0.92 -2.37 115.11 114.60 1mfi h GLN 25 Ca -0.03 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.98 1mfi h GLN 25 Cb 0.23 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1mfi h GLN 25 CO 0.04 0.57 -0.39 -0.07 -0.95 0.00 0.00 178.83 178.03 1mfi h LEU 26 N 0.88 0.83 -0.15 1.46 3.38 -0.84 -1.51 115.31 119.37 1mfi h LEU 26 Ca 0.34 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1mfi h LEU 26 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1mfi h LEU 26 CO -0.17 1.12 -0.10 0.00 0.09 0.00 0.00 178.44 179.39 1mfi h ALA 27 N 0.92 0.02 0.02 1.53 0.00 -0.85 0.17 119.26 121.08 1mfi h ALA 27 Ca 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mfi h ALA 27 Cb 0.94 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mfi h ALA 27 CO 0.09 -0.54 -0.01 1.96 0.00 0.00 0.00 179.25 180.74 1mfi h GLN 28 N -0.10 -0.03 -0.27 0.00 4.20 -1.41 0.22 115.11 117.71 1mfi h GLN 28 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1mfi h GLN 28 Cb 0.23 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1mfi h GLN 28 CO -0.21 0.02 -0.22 0.00 -0.67 0.00 0.00 178.83 177.75 1mfi h ALA 29 N 0.90 1.10 0.00 3.87 0.00 -0.85 -3.15 119.26 121.13 1mfi h ALA 29 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mfi h ALA 29 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mfi h ALA 29 CO 0.01 0.56 -1.06 0.25 0.00 0.00 0.00 179.25 179.00 1mfi n THR 30 N -4.13 0.00 -1.33 0.00 -2.24 0.57 -4.96 114.28 102.19 1mfi n THR 30 Ca -0.00 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 1mfi n THR 30 Cb 0.39 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 1mfi n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfi n GLY 31 N 1.48 1.11 3.92 3.38 0.00 0.75 -4.98 105.19 110.85 1mfi n GLY 31 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1mfi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfi s LYS 32 N -2.92 3.42 0.41 1.61 -0.14 -1.04 -5.02 119.74 116.06 1mfi s LYS 32 Ca 0.00 -0.47 -0.26 0.00 -1.36 0.00 0.00 55.97 53.88 1mfi s LYS 32 Cb 0.00 -3.02 -0.09 0.00 -1.68 0.00 0.00 37.83 33.04 1mfi s LYS 32 CO 0.00 0.60 1.32 -2.14 -0.76 0.00 0.00 175.35 174.36 1mfi s PRO 33 N -2.61 3.92 0.65 -1.68 0.02 -1.26 -4.46 135.00 129.58 1mfi s PRO 33 Ca 0.35 2.19 0.41 0.00 0.02 0.00 0.00 61.00 63.96 1mfi s PRO 33 Cb -0.13 -2.74 2.26 0.00 0.02 0.00 0.00 34.50 33.92 1mfi s PRO 33 CO 0.28 -0.54 2.34 0.00 -0.33 0.00 0.00 177.00 178.75 1mfi h ALA 34 N 2.62 1.12 0.00 -1.55 0.00 -1.92 -1.75 119.26 117.78 1mfi h ALA 34 Ca -0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1mfi h ALA 34 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1mfi h ALA 34 CO 0.62 0.00 -0.17 -0.56 0.00 0.00 0.00 179.25 179.15 1mfi h GLN 35 N 0.00 0.00 -0.54 0.00 -0.00 -1.98 -2.67 115.11 109.92 1mfi h GLN 35 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1mfi h GLN 35 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 1mfi h GLN 35 CO 0.00 0.17 0.00 0.66 -0.00 0.00 0.00 178.83 179.66 1mfi n TYR 36 N -4.03 0.71 -3.53 0.06 4.01 -0.66 -4.93 117.16 108.79 1mfi n TYR 36 Ca -0.02 -0.35 -0.37 0.00 -0.16 0.00 0.00 57.90 57.00 1mfi n TYR 36 Cb 0.25 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.21 1mfi n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mfi s ILE 37 N -1.29 5.29 -0.05 -0.72 1.01 -1.01 -2.21 121.20 122.21 1mfi s ILE 37 Ca 0.43 0.58 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1mfi s ILE 37 Cb 0.24 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1mfi s ILE 37 CO 0.32 0.40 -0.20 0.00 0.00 0.00 0.00 174.94 175.46 1mfi s ALA 38 N 0.36 1.76 -0.03 9.38 0.00 -0.76 -5.01 121.76 127.47 1mfi s ALA 38 Ca 0.17 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1mfi s ALA 38 Cb -0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1mfi s ALA 38 CO 0.05 0.32 -0.19 0.08 0.00 0.00 0.00 175.76 176.02 1mfi s VAL 39 N -0.02 1.53 -0.07 0.00 1.01 -1.26 -0.62 120.40 120.97 1mfi s VAL 39 Ca -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1mfi s VAL 39 Cb -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1mfi s VAL 39 CO 0.03 0.43 0.02 -2.28 0.00 0.00 0.00 175.10 173.31 1mfi s HIS 40 N -0.28 0.48 -0.15 5.22 2.46 0.79 -4.96 115.29 118.86 1mfi s HIS 40 Ca 0.03 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 55.50 1mfi s HIS 40 Cb -0.09 -0.71 0.01 0.00 -0.13 0.00 0.00 32.58 31.66 1mfi s HIS 40 CO 0.00 -0.31 -0.21 0.08 -2.47 0.00 0.00 174.74 171.84 1mfi s VAL 41 N 2.03 2.16 -0.43 0.89 1.01 -1.26 -0.03 120.40 124.77 1mfi s VAL 41 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1mfi s VAL 41 Cb -0.13 -1.88 0.12 0.00 0.00 0.00 0.00 36.38 34.49 1mfi s VAL 41 CO -0.05 0.54 0.19 -0.69 0.00 0.00 0.00 175.10 175.09 1mfi s VAL 42 N 0.86 2.86 0.73 2.92 1.01 0.17 -4.96 120.40 123.99 1mfi s VAL 42 Ca -0.06 -2.51 -0.01 0.00 0.00 0.00 0.00 61.98 59.41 1mfi s VAL 42 Cb -0.15 -3.00 0.13 0.00 0.00 0.00 0.00 36.38 33.37 1mfi s VAL 42 CO -0.03 -0.70 1.01 -2.16 0.00 0.00 0.00 175.10 173.22 1mfi s PRO 43 N 0.64 1.62 -1.60 2.72 0.04 -1.26 -1.02 135.00 136.14 1mfi s PRO 43 Ca 0.12 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1mfi s PRO 43 Cb -0.22 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1mfi s PRO 43 CO -0.05 -1.50 0.00 -0.25 0.04 0.00 0.00 177.00 175.25 1mfi n ASP 44 N -2.86 -5.10 -4.84 6.66 8.00 -0.48 -4.85 116.55 113.07 1mfi n ASP 44 Ca 0.16 0.12 -0.33 0.00 0.71 0.00 0.00 54.79 55.45 1mfi n ASP 44 Cb 0.61 -4.17 -0.06 0.00 -0.02 0.00 0.00 41.12 37.47 1mfi n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mfi s GLN 45 N -4.45 4.05 -0.84 -1.24 -1.52 -0.09 -4.93 119.66 110.63 1mfi s GLN 45 Ca 0.00 0.75 -0.22 0.00 -1.95 0.00 0.00 55.36 53.93 1mfi s GLN 45 Cb 0.00 -2.41 0.08 0.00 -0.22 0.00 0.00 33.01 30.46 1mfi s GLN 45 CO 0.00 0.13 1.18 -1.17 -0.25 0.00 0.00 175.29 175.19 1mfi s LEU 46 N -2.98 4.16 0.05 2.90 2.96 -1.26 -4.01 118.68 120.50 1mfi s LEU 46 Ca 0.55 -1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1mfi s LEU 46 Cb -0.10 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1mfi s LEU 46 CO 0.17 -1.41 -0.03 0.00 -1.32 0.00 0.00 176.35 173.75 1mfi s MET 47 N 4.16 0.55 0.11 1.98 0.23 -1.26 -5.07 119.30 120.00 1mfi s MET 47 Ca 0.33 -1.08 0.05 0.00 -1.03 0.00 0.00 55.69 53.97 1mfi s MET 47 Cb -0.08 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.34 1mfi s MET 47 CO 0.00 -0.09 -0.13 0.95 -2.03 0.00 0.00 175.02 173.73 1mfi s THR 48 N -3.28 1.21 -0.12 3.16 -4.23 -1.26 -4.61 115.64 106.51 1mfi s THR 48 Ca 0.02 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1mfi s THR 48 Cb 0.03 -1.46 0.06 0.00 1.34 0.00 0.00 72.50 72.47 1mfi s THR 48 CO -0.07 -0.45 0.22 0.12 -0.54 0.00 0.00 174.62 173.89 1mfi s PHE 49 N -2.19 -0.30 -1.43 3.99 2.19 -0.71 -4.74 117.98 114.78 1mfi s PHE 49 Ca 0.07 0.70 0.00 0.00 0.33 0.00 0.00 56.93 58.03 1mfi s PHE 49 Cb -0.05 -0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.48 1mfi s PHE 49 CO 0.02 -0.37 0.00 0.43 1.83 0.00 0.00 175.22 177.13 1mfi n SER 50 N 5.34 -4.70 0.00 6.13 7.64 -1.26 -2.44 113.62 124.32 1mfi n SER 50 Ca -0.05 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1mfi n SER 50 Cb 0.50 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1mfi n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mfi n GLY 51 N -1.04 1.46 3.61 0.23 0.00 -1.26 -5.02 105.19 103.17 1mfi n GLY 51 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1mfi n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mfi s THR 52 N -3.40 3.42 -0.37 2.61 -4.23 -1.02 -5.03 115.64 107.61 1mfi s THR 52 Ca 0.00 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 1mfi s THR 52 Cb 0.00 -2.72 0.61 0.00 1.34 0.00 0.00 72.50 71.74 1mfi s THR 52 CO 0.00 -0.14 1.65 -0.46 -0.54 0.00 0.00 174.62 175.14 1mfi n ASN 53 N -0.12 4.25 -4.75 3.99 0.23 -1.26 -1.74 115.26 115.85 1mfi n ASN 53 Ca -0.10 -3.07 -0.31 0.00 -0.53 0.00 0.00 54.58 50.58 1mfi n ASN 53 Cb 0.56 -0.72 0.10 0.00 -2.08 0.00 0.00 39.78 37.64 1mfi n ASN 53 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1mfi s ASP 54 N -0.78 4.23 0.15 0.53 1.01 -1.26 -4.89 116.67 115.66 1mfi s ASP 54 Ca 0.46 1.74 -0.34 0.00 0.71 0.00 0.00 52.55 55.12 1mfi s ASP 54 Cb 0.37 -2.43 -0.15 0.00 1.01 0.00 0.00 42.92 41.72 1mfi s ASP 54 CO 0.11 -2.20 1.45 -2.65 0.21 0.00 0.00 175.17 172.09 1mfi n PRO 55 N -3.62 1.75 -4.05 8.23 -0.02 -1.26 -4.82 135.00 131.20 1mfi n PRO 55 Ca 0.09 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1mfi n PRO 55 Cb 0.54 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1mfi n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mfi s ALA 57 N -3.66 -0.92 -0.22 0.00 0.00 -0.77 -3.53 121.76 112.67 1mfi s ALA 57 Ca 0.27 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1mfi s ALA 57 Cb 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1mfi s ALA 57 CO 0.13 -0.19 -0.15 -0.51 0.00 0.00 0.00 175.76 175.05 1mfi s LEU 58 N 0.03 2.71 0.29 0.00 1.43 -0.05 -2.00 118.68 121.08 1mfi s LEU 58 Ca -0.02 -1.00 0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1mfi s LEU 58 Cb -0.03 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1mfi s LEU 58 CO 0.01 -0.10 -0.08 0.00 0.23 0.00 0.00 176.35 176.40 1mfi s SER 60 N -3.61 -0.15 -0.21 0.00 0.01 -0.55 -0.50 113.70 108.69 1mfi s SER 60 Ca 0.31 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.93 1mfi s SER 60 Cb -0.04 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.49 1mfi s SER 60 CO 0.18 -0.12 -0.12 -0.22 0.41 0.00 0.00 173.24 173.37 1mfi s LEU 61 N 0.79 2.48 -0.14 2.44 2.96 0.62 -1.15 118.68 126.68 1mfi s LEU 61 Ca -0.06 -0.94 -0.04 0.00 -0.22 0.00 0.00 54.13 52.87 1mfi s LEU 61 Cb -0.08 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 1mfi s LEU 61 CO -0.04 -0.13 0.00 -1.00 -1.32 0.00 0.00 176.35 173.86 1mfi s HIS 62 N 1.32 3.13 0.00 5.38 3.76 -0.23 -1.12 115.29 127.53 1mfi s HIS 62 Ca -0.02 -0.02 -0.15 0.00 -0.15 0.00 0.00 55.06 54.72 1mfi s HIS 62 Cb -0.16 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.62 1mfi s HIS 62 CO -0.08 0.20 0.32 0.45 -0.85 0.00 0.00 174.74 174.78 1mfi s SER 63 N -0.09 -0.19 -0.56 1.40 0.15 -0.08 -1.01 113.70 113.32 1mfi s SER 63 Ca 0.04 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.52 1mfi s SER 63 Cb -0.13 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.59 1mfi s SER 63 CO 0.02 -0.50 0.71 -0.63 1.20 0.00 0.00 173.24 174.05 1mfi s ILE 64 N -1.66 4.76 0.03 6.45 1.01 -1.26 0.06 121.20 130.60 1mfi s ILE 64 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1mfi s ILE 64 Cb -0.04 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1mfi s ILE 64 CO 0.02 -1.04 0.00 0.61 0.00 0.00 0.00 174.94 174.53 1mfi n GLY 65 N 5.24 -2.16 2.55 6.18 0.00 -1.26 -4.93 105.19 110.81 1mfi n GLY 65 Ca -0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1mfi n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mfi n LYS 66 N -1.15 -1.19 -4.74 1.61 4.76 -1.26 -4.95 118.16 111.24 1mfi n LYS 66 Ca 0.00 0.70 -0.33 0.00 -2.87 0.00 0.00 58.31 55.82 1mfi n LYS 66 Cb 0.07 -4.79 -0.14 0.00 -1.84 0.00 0.00 35.03 28.33 1mfi n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mfi s ILE 67 N -1.97 3.20 0.00 -0.18 -1.09 -1.26 -4.80 121.20 115.11 1mfi s ILE 67 Ca 0.00 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1mfi s ILE 67 Cb 0.00 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 1mfi s ILE 67 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1mfi n GLY 68 N 3.22 1.56 0.16 6.18 0.00 -1.26 -4.98 105.19 110.07 1mfi n GLY 68 Ca -0.18 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 1mfi n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfi n GLY 69 N -0.51 -1.47 0.14 -0.02 0.00 -1.26 0.24 105.19 102.31 1mfi n GLY 69 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 1mfi n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfi h ALA 70 N 0.05 0.15 -0.92 4.61 0.00 -2.00 -2.95 119.26 118.20 1mfi h ALA 70 Ca 0.06 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1mfi h ALA 70 Cb 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1mfi h ALA 70 CO -0.37 0.26 0.59 1.96 0.00 0.00 0.00 179.25 181.69 1mfi h GLN 71 N -0.07 1.06 -0.54 0.00 7.50 -1.61 -1.70 115.11 119.75 1mfi h GLN 71 Ca -0.03 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 58.96 1mfi h GLN 71 Cb 1.04 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 28.31 1mfi h GLN 71 CO 0.08 0.70 -0.06 -0.91 -1.50 0.00 0.00 178.83 177.14 1mfi h ASN 72 N 1.10 0.95 -0.39 1.46 2.35 -0.28 -0.51 115.58 120.26 1mfi h ASN 72 Ca 0.39 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1mfi h ASN 72 Cb 0.10 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1mfi h ASN 72 CO -0.15 1.04 0.21 0.03 -1.65 0.00 0.00 177.43 176.92 1mfi h ARG 73 N 0.87 0.42 -0.42 0.81 3.08 -1.16 -0.76 114.38 117.22 1mfi h ARG 73 Ca 0.15 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1mfi h ARG 73 Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1mfi h ARG 73 CO 0.04 0.28 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.24 1mfi h ASN 74 N 0.44 0.70 -0.67 7.04 2.35 -0.91 -2.79 115.58 121.74 1mfi h ASN 74 Ca 0.16 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1mfi h ASN 74 Cb 0.04 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1mfi h ASN 74 CO -0.09 0.82 0.30 1.88 -1.65 0.00 0.00 177.43 178.68 1mfi h TYR 75 N 0.67 1.00 -0.61 1.19 0.05 -0.70 -2.54 116.97 116.03 1mfi h TYR 75 Ca 0.12 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1mfi h TYR 75 Cb 0.51 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1mfi h TYR 75 CO 0.02 0.77 0.31 0.77 -1.05 0.00 0.00 178.16 178.98 1mfi h SER 76 N 0.95 0.77 -0.12 3.88 0.02 -0.92 0.15 113.55 118.28 1mfi h SER 76 Ca 0.23 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1mfi h SER 76 Cb 0.17 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1mfi h SER 76 CO -0.02 0.67 0.07 0.11 -1.14 0.00 0.00 176.83 176.51 1mfi h LYS 77 N 0.82 0.16 -0.18 3.45 1.57 -1.50 0.22 116.57 121.12 1mfi h LYS 77 Ca 0.21 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1mfi h LYS 77 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1mfi h LYS 77 CO -0.03 0.18 0.07 1.25 -0.57 0.00 0.00 179.45 180.35 1mfi h LEU 78 N 0.10 0.25 -0.16 2.94 5.85 -1.21 -1.33 115.31 121.75 1mfi h LEU 78 Ca 0.04 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1mfi h LEU 78 Cb 0.06 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1mfi h LEU 78 CO -0.01 0.35 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.18 1mfi h LEU 79 N 0.13 0.45 -1.27 2.25 4.07 -0.71 -1.27 115.31 118.96 1mfi h LEU 79 Ca 0.06 -0.49 -0.03 0.00 0.08 0.00 0.00 57.88 57.49 1mfi h LEU 79 Cb 0.18 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1mfi h LEU 79 CO -0.00 0.85 0.14 0.00 -1.08 0.00 0.00 178.44 178.35 1mfi h GLY 81 N 0.82 -0.26 0.95 0.00 0.00 -1.05 -1.24 103.07 102.29 1mfi h GLY 81 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1mfi h GLY 81 CO -0.01 -0.10 0.66 1.41 0.00 0.00 0.00 176.54 178.51 1mfi h LEU 82 N -0.25 1.13 -0.33 3.11 4.07 -0.91 -1.81 115.31 120.32 1mfi h LEU 82 Ca -0.02 -0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.75 1mfi h LEU 82 Cb 0.20 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 1mfi h LEU 82 CO 0.03 0.80 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.67 1mfi h LEU 83 N 1.32 0.96 0.34 1.67 3.38 -1.19 0.05 115.31 121.86 1mfi h LEU 83 Ca 0.38 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1mfi h LEU 83 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1mfi h LEU 83 CO -0.10 1.27 -0.22 -1.28 0.09 0.00 0.00 178.44 178.20 1mfi h SER 84 N 0.68 -0.55 -0.10 -0.43 0.87 -1.16 0.09 113.55 112.94 1mfi h SER 84 Ca 0.04 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 1mfi h SER 84 Cb 1.05 0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1mfi h SER 84 CO 0.11 -0.35 -0.51 0.44 -0.53 0.00 0.00 176.83 175.98 1mfi h ASP 85 N -0.55 0.63 0.15 6.23 3.32 -1.30 -0.79 116.42 124.11 1mfi h ASP 85 Ca -0.03 -0.64 -0.27 0.00 0.02 0.00 0.00 57.03 56.10 1mfi h ASP 85 Cb 0.46 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1mfi h ASP 85 CO 0.03 1.17 -1.31 0.03 -1.72 0.00 0.00 179.24 177.44 1mfi h ARG 86 N 0.13 0.32 -0.01 3.56 2.47 -1.08 -3.38 114.38 116.38 1mfi h ARG 86 Ca -0.04 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 1mfi h ARG 86 Cb 1.16 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1mfi h ARG 86 CO 0.11 1.26 -0.60 1.28 0.56 0.00 0.00 179.97 182.58 1mfi n LEU 87 N -3.91 1.37 -3.09 3.04 4.77 -0.12 -4.72 117.00 114.34 1mfi n LEU 87 Ca -0.21 -0.64 -0.17 0.00 -0.03 0.00 0.00 56.01 54.95 1mfi n LEU 87 Cb 0.93 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.09 1mfi n LEU 87 CO 0.47 0.28 0.15 1.41 -1.33 0.00 0.00 177.39 178.37 1mfi n HIS 88 N -0.69 -2.16 -4.47 -1.77 8.25 -0.30 -4.95 115.22 109.13 1mfi n HIS 88 Ca 0.06 0.83 -0.34 0.00 -0.26 0.00 0.00 57.72 58.01 1mfi n HIS 88 Cb 0.34 -4.52 -0.11 0.00 1.12 0.00 0.00 29.99 26.82 1mfi n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mfi s ILE 89 N -3.29 3.93 0.23 1.59 1.01 -1.03 -4.96 121.20 118.69 1mfi s ILE 89 Ca 0.25 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1mfi s ILE 89 Cb -0.11 -2.67 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 1mfi s ILE 89 CO 0.62 0.55 1.41 -0.55 0.00 0.00 0.00 174.94 176.97 1mfi s SER 90 N -0.32 6.72 0.50 3.58 0.15 -1.26 -3.25 113.70 119.81 1mfi s SER 90 Ca 0.05 2.60 0.23 0.00 0.70 0.00 0.00 55.95 59.53 1mfi s SER 90 Cb -0.12 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 62.88 1mfi s SER 90 CO 0.02 -0.66 1.97 -0.65 1.20 0.00 0.00 173.24 175.12 1mfi h PRO 91 N 5.15 0.11 -0.37 5.44 0.11 -1.97 -0.30 132.00 140.16 1mfi h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mfi h PRO 91 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mfi h PRO 91 CO 0.78 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1mfi n ASP 92 N -4.40 1.75 -0.98 -2.05 5.75 -1.26 -3.26 116.55 112.10 1mfi n ASP 92 Ca 0.12 -2.06 0.01 0.00 -0.01 0.00 0.00 54.79 52.85 1mfi n ASP 92 Cb 0.61 -0.25 0.16 0.00 -1.03 0.00 0.00 41.12 40.61 1mfi n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mfi n ARG 93 N 0.33 1.79 -4.37 0.11 1.74 -0.12 -5.00 116.66 111.14 1mfi n ARG 93 Ca 0.10 -3.34 -0.21 0.00 -0.77 0.00 0.00 57.85 53.63 1mfi n ARG 93 Cb 0.30 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 30.00 1mfi n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mfi s VAL 94 N -3.18 0.77 -0.07 1.55 1.01 -1.20 -1.84 120.40 117.44 1mfi s VAL 94 Ca 0.40 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1mfi s VAL 94 Cb 0.38 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1mfi s VAL 94 CO -0.06 0.25 -0.22 -0.31 0.00 0.00 0.00 175.10 174.76 1mfi s TYR 95 N 0.37 2.25 -0.13 5.22 2.02 -0.85 -5.01 117.35 121.22 1mfi s TYR 95 Ca -0.06 -0.74 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 1mfi s TYR 95 Cb -0.10 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1mfi s TYR 95 CO 0.01 -0.26 -0.17 0.42 -1.57 0.00 0.00 175.55 173.97 1mfi s ILE 96 N 0.06 1.71 -0.14 2.71 1.01 -1.26 -0.59 121.20 124.71 1mfi s ILE 96 Ca -0.08 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1mfi s ILE 96 Cb -0.14 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1mfi s ILE 96 CO 0.05 0.48 0.32 0.20 0.00 0.00 0.00 174.94 175.99 1mfi s ASN 97 N 1.02 6.50 -0.11 3.58 0.01 0.35 -4.96 114.94 121.34 1mfi s ASN 97 Ca -0.04 0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 52.68 1mfi s ASN 97 Cb -0.15 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 1mfi s ASN 97 CO -0.04 0.13 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.33 1mfi s TYR 98 N 0.24 3.01 -0.08 2.20 2.02 -1.26 -0.28 117.35 123.20 1mfi s TYR 98 Ca 0.18 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1mfi s TYR 98 Cb -0.14 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1mfi s TYR 98 CO 0.06 0.20 -0.06 0.71 -1.57 0.00 0.00 175.55 174.88 1mfi s TYR 99 N -0.32 1.10 -0.40 2.71 2.02 -0.28 -4.96 117.35 117.22 1mfi s TYR 99 Ca 0.05 -0.44 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 1mfi s TYR 99 Cb -0.12 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1mfi s TYR 99 CO 0.02 -0.35 0.37 0.34 -1.57 0.00 0.00 175.55 174.37 1mfi s ASP 100 N 1.40 6.16 0.03 2.29 2.15 -1.26 -0.90 116.67 126.54 1mfi s ASP 100 Ca -0.02 -0.66 -0.13 0.00 0.43 0.00 0.00 52.55 52.16 1mfi s ASP 100 Cb -0.13 -2.20 -0.06 0.00 -0.30 0.00 0.00 42.92 40.23 1mfi s ASP 100 CO -0.03 -0.48 0.41 -0.04 -0.17 0.00 0.00 175.17 174.85 1mfi s MET 101 N 1.95 3.87 0.20 4.34 -1.94 0.11 -4.95 119.30 122.88 1mfi s MET 101 Ca 0.09 0.34 -0.30 0.00 -1.71 0.00 0.00 55.69 54.11 1mfi s MET 101 Cb -0.18 -3.13 -0.08 0.00 2.01 0.00 0.00 34.83 33.45 1mfi s MET 101 CO 0.12 0.64 1.04 1.21 -0.01 0.00 0.00 175.02 178.02 1mfi s ASN 102 N -1.33 7.39 0.45 3.03 3.84 -1.26 -4.27 114.94 122.78 1mfi s ASN 102 Ca 0.27 2.04 0.22 0.00 0.21 0.00 0.00 52.86 55.60 1mfi s ASN 102 Cb -0.16 -2.61 1.20 0.00 -0.55 0.00 0.00 41.25 39.13 1mfi s ASN 102 CO 0.15 -0.10 1.84 0.00 -2.79 0.00 0.00 177.10 176.20 1mfi h ALA 103 N 4.78 2.39 0.00 1.71 0.00 -1.94 0.20 119.26 126.40 1mfi h ALA 103 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1mfi h ALA 103 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mfi h ALA 103 CO 0.70 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1mfi n ALA 104 N -2.56 1.69 -0.37 0.00 0.00 -1.26 -2.39 120.51 115.61 1mfi n ALA 104 Ca 0.21 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1mfi n ALA 104 Cb 0.82 -1.37 0.31 0.00 0.00 0.00 0.00 19.45 19.20 1mfi n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mfi n ASN 105 N -2.15 3.93 -4.01 0.00 3.02 0.70 -4.86 115.26 111.90 1mfi n ASN 105 Ca 0.02 -2.03 -0.31 0.00 -0.03 0.00 0.00 54.58 52.24 1mfi n ASN 105 Cb 0.23 -0.48 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 1mfi n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mfi s VAL 106 N -1.05 1.71 0.08 2.41 1.01 -1.13 -4.95 120.40 118.48 1mfi s VAL 106 Ca 0.47 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1mfi s VAL 106 Cb 0.25 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1mfi s VAL 106 CO 0.31 0.16 0.40 -0.83 0.00 0.00 0.00 175.10 175.14 1mfi s GLY 107 N 1.36 2.34 -0.28 4.51 0.00 -1.26 -1.94 107.32 112.05 1mfi s GLY 107 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.09 1mfi s GLY 107 CO -0.08 -0.17 0.88 0.86 0.00 0.00 0.00 173.10 174.59 1mfi s TRP 108 N -1.40 -0.67 -1.43 1.90 -0.00 -0.08 -4.96 118.94 112.29 1mfi s TRP 108 Ca 0.33 1.54 -0.08 0.00 -0.00 0.00 0.00 56.10 57.88 1mfi s TRP 108 Cb -0.14 0.37 0.05 0.00 -0.00 0.00 0.00 33.47 33.75 1mfi s TRP 108 CO 0.18 -0.33 0.93 -1.71 -0.00 0.00 0.00 176.95 176.02 1mfi n ASN 109 N 2.87 -3.77 0.00 5.86 4.05 -1.26 -1.83 115.26 121.18 1mfi n ASN 109 Ca -0.15 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.13 1mfi n ASN 109 Cb 0.56 -4.15 0.00 0.00 1.23 0.00 0.00 39.78 37.43 1mfi n ASN 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfi n GLY 110 N -1.68 0.57 0.00 8.20 0.00 -1.26 -4.94 105.19 106.08 1mfi n GLY 110 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1mfi n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfi n SER 111 N -0.11 0.00 -4.60 1.61 2.88 -0.76 -5.18 113.62 107.46 1mfi n SER 111 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1mfi n SER 111 Cb 0.06 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 1mfi n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mfi s THR 112 N -0.93 0.92 -1.53 2.46 -4.23 -1.26 -0.91 115.64 110.17 1mfi s THR 112 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1mfi s THR 112 Cb 0.00 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 71.97 1mfi s THR 112 CO 0.00 0.00 1.61 0.49 -0.54 0.00 0.00 174.62 176.18 1mfi n PHE 113 N -1.21 0.00 1.72 3.99 3.72 -0.82 -4.79 117.46 120.06 1mfi n PHE 113 Ca -0.17 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.38 1mfi n PHE 113 Cb 0.66 -0.18 0.71 0.00 -0.94 0.00 0.00 39.48 39.73 1mfi n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71