#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mff s MET 2 N 0.00 0.60 -0.10 -0.52 0.23 -0.27 -1.87 119.30 117.37 1mff s MET 2 Ca 0.00 -0.18 0.01 0.00 -1.03 0.00 0.00 55.69 54.49 1mff s MET 2 Cb 0.00 -0.60 0.02 0.00 -1.53 0.00 0.00 34.83 32.72 1mff s MET 2 CO 0.00 0.06 -0.12 0.12 -2.03 0.00 0.00 175.02 173.05 1mff s PHE 3 N 0.23 1.74 -0.06 3.16 5.36 -0.25 -1.58 117.98 126.58 1mff s PHE 3 Ca -0.03 -0.82 0.04 0.00 -0.96 0.00 0.00 56.93 55.17 1mff s PHE 3 Cb -0.07 -1.31 -0.02 0.00 -0.34 0.00 0.00 43.02 41.28 1mff s PHE 3 CO -0.00 -0.46 -0.18 0.42 -1.46 0.00 0.00 175.22 173.53 1mff s ILE 4 N 1.16 2.69 -0.13 3.12 1.01 -0.67 -0.43 121.20 127.94 1mff s ILE 4 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1mff s ILE 4 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1mff s ILE 4 CO -0.03 0.57 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 1mff s VAL 5 N -0.38 1.50 -0.16 2.92 1.01 -0.04 -1.22 120.40 124.03 1mff s VAL 5 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1mff s VAL 5 Cb -0.12 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1mff s VAL 5 CO 0.02 0.44 -0.08 0.20 0.00 0.00 0.00 175.10 175.69 1mff s ASN 6 N 1.26 4.35 -0.02 3.32 0.01 0.64 -0.40 114.94 124.10 1mff s ASN 6 Ca -0.01 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 51.75 1mff s ASN 6 Cb -0.14 -1.70 0.02 0.00 0.41 0.00 0.00 41.25 39.84 1mff s ASN 6 CO -0.06 0.12 0.26 0.28 -1.51 0.00 0.00 177.10 176.18 1mff s THR 7 N 0.64 0.06 -1.72 1.60 -1.32 -0.11 -0.10 115.64 114.68 1mff s THR 7 Ca -0.04 -0.49 0.30 0.00 -1.21 0.00 0.00 61.69 60.25 1mff s THR 7 Cb -0.15 -0.54 0.63 0.00 -1.51 0.00 0.00 72.50 70.94 1mff s THR 7 CO 0.03 -0.27 2.05 -0.46 -2.21 0.00 0.00 174.62 173.76 1mff n ASN 8 N 1.51 0.19 -4.76 8.08 6.94 -1.23 -1.36 115.26 124.63 1mff n ASN 8 Ca -0.21 -0.59 -0.41 0.00 -0.02 0.00 0.00 54.58 53.35 1mff n ASN 8 Cb 0.56 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 1mff n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mff s VAL 9 N -2.33 2.76 0.72 3.53 1.01 -1.26 -4.29 120.40 120.53 1mff s VAL 9 Ca 0.35 0.73 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 1mff s VAL 9 Cb 0.21 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1mff s VAL 9 CO 0.43 0.16 1.21 -2.84 0.00 0.00 0.00 175.10 174.06 1mff s PRO 10 N -1.40 2.20 0.30 2.72 0.02 -1.26 -1.53 135.00 136.04 1mff s PRO 10 Ca 0.51 1.79 -0.00 0.00 0.02 0.00 0.00 61.00 63.32 1mff s PRO 10 Cb -0.40 -1.84 0.49 0.00 0.02 0.00 0.00 34.50 32.78 1mff s PRO 10 CO 0.50 -1.80 1.94 -0.09 -0.33 0.00 0.00 177.00 177.22 1mff h ARG 11 N -0.19 1.03 -0.17 5.54 2.43 -1.93 -1.72 114.38 119.38 1mff h ARG 11 Ca -0.48 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1mff h ARG 11 Cb 1.30 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1mff h ARG 11 CO 0.50 0.68 0.15 0.00 -1.51 0.00 0.00 179.97 179.80 1mff h ALA 12 N 1.50 1.90 0.00 2.80 0.00 -2.03 0.06 119.26 123.48 1mff h ALA 12 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1mff h ALA 12 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1mff h ALA 12 CO -0.10 -0.24 -0.20 0.43 0.00 0.00 0.00 179.25 179.14 1mff n SER 13 N -4.04 0.22 -4.64 0.00 7.64 -0.65 -4.73 113.62 107.43 1mff n SER 13 Ca 0.01 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1mff n SER 13 Cb 0.28 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1mff n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mff s VAL 14 N -3.01 4.32 0.26 0.44 1.01 0.01 -4.82 120.40 118.61 1mff s VAL 14 Ca 0.13 1.51 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 1mff s VAL 14 Cb 0.18 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1mff s VAL 14 CO 0.60 -0.47 1.67 -0.81 0.00 0.00 0.00 175.10 176.08 1mff n PRO 15 N 7.08 2.77 -1.70 2.72 -0.04 -1.26 -4.92 135.00 139.64 1mff n PRO 15 Ca 0.13 0.99 -0.43 0.00 -0.04 0.00 0.00 63.50 64.15 1mff n PRO 15 Cb 0.47 -2.81 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1mff n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mff n GLU 16 N 3.03 2.29 -0.33 0.54 -0.58 -1.26 -1.22 120.64 123.11 1mff n GLU 16 Ca 0.12 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 1mff n GLU 16 Cb 0.36 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1mff n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mff n GLY 17 N 1.80 0.84 0.21 0.62 0.00 -1.26 -4.96 105.19 102.43 1mff n GLY 17 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1mff n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mff h PHE 18 N 0.00 0.64 -0.62 1.61 3.57 -1.53 -0.60 116.94 120.02 1mff h PHE 18 Ca 0.00 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1mff h PHE 18 Cb 0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1mff h PHE 18 CO 0.00 0.49 0.05 -0.07 -2.23 0.00 0.00 178.31 176.55 1mff h LEU 19 N 0.60 1.02 -0.84 0.59 4.07 -1.93 0.34 115.31 119.18 1mff h LEU 19 Ca 0.16 -0.28 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 1mff h LEU 19 Cb 0.07 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1mff h LEU 19 CO -0.02 1.05 -0.11 -1.28 -1.08 0.00 0.00 178.44 177.00 1mff h SER 20 N 0.96 0.74 0.05 -0.43 0.87 -1.96 0.72 113.55 114.50 1mff h SER 20 Ca 0.18 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1mff h SER 20 Cb 0.50 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1mff h SER 20 CO 0.02 0.88 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.09 1mff h GLU 21 N 0.68 -0.07 -0.79 2.24 4.81 0.05 -2.19 114.58 119.33 1mff h GLU 21 Ca 0.12 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1mff h GLU 21 Cb 0.58 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1mff h GLU 21 CO 0.04 0.18 0.49 -0.07 -0.73 0.00 0.00 179.01 178.91 1mff h LEU 22 N -0.31 0.78 -0.06 1.64 3.38 -0.76 0.24 115.31 120.22 1mff h LEU 22 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1mff h LEU 22 Cb 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1mff h LEU 22 CO 0.01 0.52 -0.22 0.74 0.09 0.00 0.00 178.44 179.58 1mff h THR 23 N 0.92 0.47 -0.01 0.22 2.02 -0.47 0.80 112.91 116.86 1mff h THR 23 Ca 0.33 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.53 1mff h THR 23 Cb 0.10 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1mff h THR 23 CO -0.14 0.00 -0.10 -0.61 0.37 0.00 0.00 175.52 175.03 1mff h GLN 24 N -0.32 -0.17 -0.66 6.66 4.15 -1.15 -0.34 115.11 123.29 1mff h GLN 24 Ca 0.08 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1mff h GLN 24 Cb 0.43 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1mff h GLN 24 CO -0.24 -0.11 0.38 1.96 -1.93 0.00 0.00 178.83 178.88 1mff h GLN 25 N -0.18 0.89 -0.06 1.69 1.08 -0.59 -2.46 115.11 115.49 1mff h GLN 25 Ca 0.04 -0.08 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1mff h GLN 25 Cb 0.23 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1mff h GLN 25 CO -0.11 0.64 -0.68 -0.07 -0.95 0.00 0.00 178.83 177.66 1mff h LEU 26 N 0.91 0.32 0.10 1.46 3.38 -0.53 -0.36 115.31 120.59 1mff h LEU 26 Ca 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1mff h LEU 26 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1mff h LEU 26 CO -0.04 0.90 -0.05 0.00 0.09 0.00 0.00 178.44 179.34 1mff h ALA 27 N 1.09 -0.14 -0.16 1.53 0.00 -0.63 0.74 119.26 121.70 1mff h ALA 27 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mff h ALA 27 Cb 1.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1mff h ALA 27 CO 0.11 -0.55 0.08 1.96 0.00 0.00 0.00 179.25 180.85 1mff h GLN 28 N -0.19 0.23 -0.27 0.00 4.20 -1.41 0.12 115.11 117.79 1mff h GLN 28 Ca -0.01 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1mff h GLN 28 Cb 0.16 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1mff h GLN 28 CO 0.02 0.26 -0.20 0.00 -0.67 0.00 0.00 178.83 178.25 1mff h ALA 29 N 0.95 1.17 0.00 3.87 0.00 -0.95 -3.14 119.26 121.16 1mff h ALA 29 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mff h ALA 29 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1mff h ALA 29 CO -0.01 0.53 -1.18 0.25 0.00 0.00 0.00 179.25 178.84 1mff n THR 30 N -4.16 0.06 -2.57 0.00 -2.24 0.24 -4.96 114.28 100.66 1mff n THR 30 Ca -0.00 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1mff n THR 30 Cb 0.37 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1mff n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mff n GLY 31 N 1.41 -0.03 3.52 3.38 0.00 0.41 -5.00 105.19 108.87 1mff n GLY 31 Ca 0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1mff n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mff s LYS 32 N -5.04 1.89 0.40 1.61 -0.14 -1.09 -5.05 119.74 112.32 1mff s LYS 32 Ca 0.13 -1.13 -0.27 0.00 -1.36 0.00 0.00 55.97 53.34 1mff s LYS 32 Cb -0.06 -2.17 -0.09 0.00 -1.68 0.00 0.00 37.83 33.83 1mff s LYS 32 CO 0.16 0.49 1.39 -1.25 -0.76 0.00 0.00 175.35 175.37 1mff s PRO 33 N -2.18 3.97 0.49 -1.68 0.04 -1.26 -4.53 135.00 129.85 1mff s PRO 33 Ca 0.19 2.35 0.32 0.00 0.04 0.00 0.00 61.00 63.90 1mff s PRO 33 Cb -0.11 -2.82 1.77 0.00 0.04 0.00 0.00 34.50 33.38 1mff s PRO 33 CO 0.11 -0.56 1.99 0.00 0.04 0.00 0.00 177.00 178.58 1mff h ALA 34 N 2.74 1.01 -0.08 8.56 0.00 -1.93 -2.25 119.26 127.30 1mff h ALA 34 Ca -0.50 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1mff h ALA 34 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1mff h ALA 34 CO 0.63 -0.01 -0.22 -0.56 0.00 0.00 0.00 179.25 179.09 1mff h GLN 35 N 0.00 0.14 -0.69 0.00 -0.00 -2.00 -2.13 115.11 110.43 1mff h GLN 35 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1mff h GLN 35 Cb 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1mff h GLN 35 CO 0.00 0.35 0.00 0.66 -0.00 0.00 0.00 178.83 179.84 1mff n TYR 36 N -4.23 1.25 -3.70 0.06 4.01 -0.85 -4.95 117.16 108.76 1mff n TYR 36 Ca -0.01 -0.54 -0.36 0.00 -0.16 0.00 0.00 57.90 56.82 1mff n TYR 36 Cb 0.31 -0.13 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 1mff n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mff s ILE 37 N -1.47 5.36 -0.09 -0.72 1.01 -0.80 -2.60 121.20 121.88 1mff s ILE 37 Ca 0.50 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1mff s ILE 37 Cb 0.29 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1mff s ILE 37 CO 0.28 0.38 -0.19 0.00 0.00 0.00 0.00 174.94 175.42 1mff s ALA 38 N 0.78 2.39 -0.04 9.38 0.00 -0.78 -5.02 121.76 128.47 1mff s ALA 38 Ca 0.08 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1mff s ALA 38 Cb -0.13 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 1mff s ALA 38 CO 0.02 0.36 -0.15 0.08 0.00 0.00 0.00 175.76 176.06 1mff s VAL 39 N 0.03 1.28 -0.05 0.00 1.01 -1.26 -1.09 120.40 120.31 1mff s VAL 39 Ca -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1mff s VAL 39 Cb -0.15 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1mff s VAL 39 CO 0.05 0.37 0.03 -2.28 0.00 0.00 0.00 175.10 173.27 1mff s HIS 40 N 0.03 0.37 -0.09 5.22 5.04 0.42 -4.97 115.29 121.32 1mff s HIS 40 Ca -0.03 0.03 0.05 0.00 -1.54 0.00 0.00 55.06 53.57 1mff s HIS 40 Cb -0.10 -0.63 -0.00 0.00 0.04 0.00 0.00 32.58 31.89 1mff s HIS 40 CO 0.01 -0.25 -0.24 0.08 -2.34 0.00 0.00 174.74 172.00 1mff s VAL 41 N 1.96 2.06 -0.33 0.89 1.01 -1.26 -0.86 120.40 123.88 1mff s VAL 41 Ca 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1mff s VAL 41 Cb -0.12 -1.77 0.10 0.00 0.00 0.00 0.00 36.38 34.59 1mff s VAL 41 CO -0.04 0.56 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1mff s VAL 42 N 0.20 1.51 0.56 2.92 1.01 0.46 -4.96 120.40 122.09 1mff s VAL 42 Ca -0.15 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 59.99 1mff s VAL 42 Cb -0.17 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.19 1mff s VAL 42 CO 0.07 -0.65 0.77 -0.81 0.00 0.00 0.00 175.10 174.48 1mff n PRO 43 N 4.55 0.13 -2.41 2.72 -0.04 -1.26 -0.93 135.00 137.76 1mff n PRO 43 Ca 0.01 -2.19 -0.19 0.00 -0.04 0.00 0.00 63.50 61.09 1mff n PRO 43 Cb 0.42 -0.48 -0.01 0.00 -0.04 0.00 0.00 33.50 33.39 1mff n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mff n ASP 44 N -2.86 -5.47 -4.85 3.54 8.00 -0.58 -4.84 116.55 109.48 1mff n ASP 44 Ca 0.13 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 1mff n ASP 44 Cb 0.47 -4.57 -0.05 0.00 -0.02 0.00 0.00 41.12 36.95 1mff n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mff s GLN 45 N -5.04 3.94 -0.71 -1.24 -1.52 -0.46 -4.94 119.66 109.69 1mff s GLN 45 Ca 0.00 0.71 -0.23 0.00 -1.95 0.00 0.00 55.36 53.89 1mff s GLN 45 Cb 0.00 -2.32 0.07 0.00 -0.22 0.00 0.00 33.01 30.54 1mff s GLN 45 CO 0.00 -0.03 1.05 -1.17 -0.25 0.00 0.00 175.29 174.89 1mff s LEU 46 N -3.55 4.20 0.06 2.90 2.96 -1.26 -4.16 118.68 119.83 1mff s LEU 46 Ca 0.55 -1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1mff s LEU 46 Cb -0.10 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1mff s LEU 46 CO 0.25 -1.48 0.18 0.00 -1.32 0.00 0.00 176.35 173.97 1mff s MET 47 N 4.27 0.73 0.13 1.98 0.23 -1.26 -5.06 119.30 120.33 1mff s MET 47 Ca 0.26 -0.78 0.04 0.00 -1.03 0.00 0.00 55.69 54.18 1mff s MET 47 Cb -0.14 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1mff s MET 47 CO 0.09 -0.22 -0.10 0.95 -2.03 0.00 0.00 175.02 173.71 1mff s THR 48 N -3.08 1.13 -0.15 3.16 -4.23 -1.26 -4.64 115.64 106.56 1mff s THR 48 Ca -0.01 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1mff s THR 48 Cb 0.01 -1.71 0.07 0.00 1.34 0.00 0.00 72.50 72.21 1mff s THR 48 CO -0.07 -0.68 0.31 0.12 -0.54 0.00 0.00 174.62 173.77 1mff s PHE 49 N -3.04 -0.53 -1.62 3.99 2.19 -0.69 -4.76 117.98 113.52 1mff s PHE 49 Ca 0.14 1.13 0.00 0.00 0.33 0.00 0.00 56.93 58.52 1mff s PHE 49 Cb 0.01 0.08 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 1mff s PHE 49 CO 0.01 -0.38 0.00 0.43 1.83 0.00 0.00 175.22 177.11 1mff n SER 50 N 5.20 -4.92 0.00 6.13 7.64 -1.26 -1.47 113.62 124.94 1mff n SER 50 Ca -0.09 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1mff n SER 50 Cb 0.50 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1mff n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mff n GLY 51 N -0.99 1.81 3.71 0.23 0.00 -1.26 -5.02 105.19 103.67 1mff n GLY 51 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1mff n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mff s THR 52 N -2.98 2.34 -0.28 2.61 -4.23 -0.54 -5.01 115.64 107.55 1mff s THR 52 Ca 0.00 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1mff s THR 52 Cb 0.00 -2.97 0.64 0.00 1.34 0.00 0.00 72.50 71.51 1mff s THR 52 CO 0.00 -0.04 1.64 -0.46 -0.54 0.00 0.00 174.62 175.22 1mff n ASN 53 N -1.15 4.08 -4.72 3.99 0.23 -1.26 -1.70 115.26 114.73 1mff n ASN 53 Ca -0.02 -3.29 -0.30 0.00 -0.53 0.00 0.00 54.58 50.44 1mff n ASN 53 Cb 0.64 -0.67 0.13 0.00 -2.08 0.00 0.00 39.78 37.80 1mff n ASN 53 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1mff s ASP 54 N -1.60 3.63 0.07 0.53 1.01 -1.26 -4.87 116.67 114.17 1mff s ASP 54 Ca 0.50 1.67 -0.36 0.00 0.71 0.00 0.00 52.55 55.07 1mff s ASP 54 Cb 0.41 -2.33 -0.16 0.00 1.01 0.00 0.00 42.92 41.84 1mff s ASP 54 CO 0.09 -2.57 1.43 -2.65 0.21 0.00 0.00 175.17 171.68 1mff n PRO 55 N -3.85 1.35 -4.09 8.23 -0.02 -1.26 -4.82 135.00 130.54 1mff n PRO 55 Ca 0.08 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1mff n PRO 55 Cb 0.54 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1mff n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mff s ALA 57 N -3.43 -1.37 -0.16 0.00 0.00 -0.44 -3.55 121.76 112.82 1mff s ALA 57 Ca 0.30 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.30 1mff s ALA 57 Cb 0.01 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1mff s ALA 57 CO 0.17 -0.31 -0.07 -0.51 0.00 0.00 0.00 175.76 175.03 1mff s LEU 58 N -0.96 1.59 0.17 0.00 1.43 0.86 -2.14 118.68 119.63 1mff s LEU 58 Ca -0.10 -0.59 0.09 0.00 -1.03 0.00 0.00 54.13 52.50 1mff s LEU 58 Cb -0.02 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1mff s LEU 58 CO 0.06 -0.15 -0.19 0.00 0.23 0.00 0.00 176.35 176.30 1mff s SER 60 N -2.67 1.06 -0.14 0.00 0.01 -0.36 -0.70 113.70 110.90 1mff s SER 60 Ca 0.16 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 1mff s SER 60 Cb -0.06 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1mff s SER 60 CO 0.07 0.03 -0.04 -0.22 0.41 0.00 0.00 173.24 173.49 1mff s LEU 61 N -0.62 1.32 -0.13 2.44 2.96 0.36 -1.67 118.68 123.34 1mff s LEU 61 Ca 0.00 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1mff s LEU 61 Cb -0.05 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 1mff s LEU 61 CO 0.00 -0.19 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.79 1mff s HIS 62 N 1.73 2.98 0.04 5.38 3.76 -0.62 -0.01 115.29 128.55 1mff s HIS 62 Ca 0.02 -0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1mff s HIS 62 Cb -0.14 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.70 1mff s HIS 62 CO -0.07 0.06 0.33 0.45 -0.85 0.00 0.00 174.74 174.66 1mff s SER 63 N -0.01 -0.17 -0.65 1.40 0.15 -0.66 -1.11 113.70 112.65 1mff s SER 63 Ca 0.00 -0.13 -0.21 0.00 0.70 0.00 0.00 55.95 56.31 1mff s SER 63 Cb -0.13 0.37 0.09 0.00 -1.71 0.00 0.00 66.02 64.63 1mff s SER 63 CO 0.03 -0.62 0.88 -0.63 1.20 0.00 0.00 173.24 174.10 1mff s ILE 64 N -2.46 4.52 0.03 6.45 1.01 -1.26 0.62 121.20 130.11 1mff s ILE 64 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1mff s ILE 64 Cb -0.01 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1mff s ILE 64 CO -0.03 -1.34 0.00 0.61 0.00 0.00 0.00 174.94 174.18 1mff n GLY 65 N 5.31 -2.24 2.39 6.18 0.00 -1.26 -4.94 105.19 110.64 1mff n GLY 65 Ca -0.04 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1mff n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mff n LYS 66 N -1.24 -1.57 -4.90 1.61 4.76 -1.26 -4.90 118.16 110.67 1mff n LYS 66 Ca 0.00 0.98 -0.27 0.00 -2.87 0.00 0.00 58.31 56.16 1mff n LYS 66 Cb 0.05 -5.56 -0.16 0.00 -1.84 0.00 0.00 35.03 27.52 1mff n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mff s ILE 67 N -2.97 1.50 0.00 -0.18 -1.09 -1.26 -4.85 121.20 112.36 1mff s ILE 67 Ca 0.00 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1mff s ILE 67 Cb 0.00 -1.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.60 1mff s ILE 67 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1mff n GLY 68 N 2.99 -0.61 0.00 6.18 0.00 -1.26 -4.97 105.19 107.53 1mff n GLY 68 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1mff n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mff n GLY 69 N -0.98 -3.10 0.25 -0.02 0.00 -1.26 0.04 105.19 100.12 1mff n GLY 69 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.58 1mff n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mff h ALA 70 N -1.37 0.75 -0.72 4.61 0.00 -2.00 -2.90 119.26 117.64 1mff h ALA 70 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mff h ALA 70 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1mff h ALA 70 CO 0.00 0.29 0.26 1.96 0.00 0.00 0.00 179.25 181.76 1mff h GLN 71 N 0.80 1.10 -0.07 0.00 7.50 -1.81 -1.65 115.11 120.97 1mff h GLN 71 Ca 0.21 -0.22 -0.09 0.00 0.50 0.00 0.00 58.65 59.05 1mff h GLN 71 Cb 0.07 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 1mff h GLN 71 CO -0.03 0.92 -0.36 -0.91 -1.50 0.00 0.00 178.83 176.95 1mff h ASN 72 N 1.04 0.15 -0.13 1.46 2.35 -0.26 0.11 115.58 120.30 1mff h ASN 72 Ca 0.24 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1mff h ASN 72 Cb 0.25 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1mff h ASN 72 CO -0.01 0.51 0.05 0.03 -1.65 0.00 0.00 177.43 176.35 1mff h ARG 73 N 0.13 0.11 -0.34 0.81 3.08 -1.30 0.14 114.38 117.01 1mff h ARG 73 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1mff h ARG 73 Cb 0.70 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1mff h ARG 73 CO 0.05 0.07 0.17 -0.91 -1.07 0.00 0.00 179.97 178.29 1mff h ASN 74 N 0.12 0.44 -0.84 7.04 2.35 -0.64 -1.99 115.58 122.05 1mff h ASN 74 Ca 0.06 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1mff h ASN 74 Cb 0.03 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1mff h ASN 74 CO -0.05 0.44 0.53 1.88 -1.65 0.00 0.00 177.43 178.57 1mff h TYR 75 N 0.42 1.09 -0.38 1.19 0.05 -0.69 -1.64 116.97 117.01 1mff h TYR 75 Ca 0.12 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.79 1mff h TYR 75 Cb 0.11 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 1mff h TYR 75 CO -0.02 0.71 -0.22 0.77 -1.05 0.00 0.00 178.16 178.36 1mff h SER 76 N 1.16 0.77 0.40 3.88 0.02 -0.42 0.80 113.55 120.16 1mff h SER 76 Ca 0.31 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1mff h SER 76 Cb -0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1mff h SER 76 CO -0.06 0.97 -0.19 0.11 -1.14 0.00 0.00 176.83 176.51 1mff h LYS 77 N 0.66 -0.52 0.06 3.45 1.57 -0.76 -0.62 116.57 120.41 1mff h LYS 77 Ca 0.09 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1mff h LYS 77 Cb 0.72 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1mff h LYS 77 CO 0.06 -0.29 -0.19 1.25 -0.57 0.00 0.00 179.45 179.70 1mff h LEU 78 N -0.63 -0.55 -0.49 2.94 5.85 -1.17 -2.55 115.31 118.70 1mff h LEU 78 Ca -0.06 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 1mff h LEU 78 Cb 0.47 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1mff h LEU 78 CO 0.09 -0.27 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.26 1mff h LEU 79 N -0.34 0.58 -0.83 2.25 4.07 -0.85 -1.23 115.31 118.95 1mff h LEU 79 Ca 0.04 -0.33 -0.10 0.00 0.08 0.00 0.00 57.88 57.57 1mff h LEU 79 Cb 0.39 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1mff h LEU 79 CO -0.14 1.04 -0.21 0.00 -1.08 0.00 0.00 178.44 178.05 1mff h GLY 81 N 0.99 1.14 1.16 0.00 0.00 -1.28 0.95 103.07 106.03 1mff h GLY 81 Ca 0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.43 1mff h GLY 81 CO 0.05 0.81 -0.03 1.41 0.00 0.00 0.00 176.54 178.79 1mff h LEU 82 N 0.94 0.98 -0.40 3.11 4.07 -1.07 0.19 115.31 123.13 1mff h LEU 82 Ca 0.16 -0.28 -0.17 0.00 0.08 0.00 0.00 57.88 57.67 1mff h LEU 82 Cb 0.63 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 1mff h LEU 82 CO 0.04 1.05 -0.44 -0.07 -1.08 0.00 0.00 178.44 177.94 1mff h LEU 83 N 0.91 0.94 -0.18 1.67 3.38 -1.20 -0.89 115.31 119.93 1mff h LEU 83 Ca 0.16 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1mff h LEU 83 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1mff h LEU 83 CO 0.03 1.24 0.07 -1.28 0.09 0.00 0.00 178.44 178.59 1mff h SER 84 N 0.69 0.26 -0.40 -0.43 0.87 -0.67 -1.81 113.55 112.06 1mff h SER 84 Ca 0.04 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1mff h SER 84 Cb 1.03 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1mff h SER 84 CO 0.10 0.38 0.04 0.44 -0.53 0.00 0.00 176.83 177.26 1mff h ASP 85 N 0.13 0.66 0.09 6.23 3.32 -0.56 -1.55 116.42 124.75 1mff h ASP 85 Ca 0.06 -0.28 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 1mff h ASP 85 Cb 0.20 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1mff h ASP 85 CO -0.00 0.77 -2.12 0.54 -1.72 0.00 0.00 179.24 176.71 1mff n ARG 86 N -4.49 0.67 -0.00 3.56 5.12 -0.35 -4.32 116.66 116.86 1mff n ARG 86 Ca -0.01 -0.04 0.06 0.00 -1.93 0.00 0.00 57.85 55.92 1mff n ARG 86 Cb 0.25 -1.56 -0.07 0.00 -1.16 0.00 0.00 32.46 29.92 1mff n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mff n LEU 87 N -2.60 0.44 -2.80 0.55 4.77 -0.73 -4.69 117.00 111.94 1mff n LEU 87 Ca -0.20 -0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1mff n LEU 87 Cb 0.91 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.06 1mff n LEU 87 CO 0.44 0.11 0.11 1.41 -1.33 0.00 0.00 177.39 178.13 1mff n HIS 88 N -1.40 -1.75 -4.18 -1.77 8.25 -0.58 -4.98 115.22 108.82 1mff n HIS 88 Ca 0.01 0.71 -0.34 0.00 -0.26 0.00 0.00 57.72 57.84 1mff n HIS 88 Cb 0.21 -4.22 -0.13 0.00 1.12 0.00 0.00 29.99 26.97 1mff n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mff s ILE 89 N -3.26 3.84 0.36 1.59 1.01 -1.06 -4.94 121.20 118.73 1mff s ILE 89 Ca 0.10 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 1mff s ILE 89 Cb -0.05 -2.72 -0.12 0.00 0.01 0.00 0.00 42.46 39.59 1mff s ILE 89 CO 0.54 0.45 1.30 -0.24 0.00 0.00 0.00 174.94 176.99 1mff n SER 90 N 4.08 2.82 0.30 3.58 2.88 -1.26 -3.68 113.62 122.33 1mff n SER 90 Ca -0.17 1.20 0.20 0.00 -1.33 0.00 0.00 58.87 58.76 1mff n SER 90 Cb 0.52 -1.50 0.92 0.00 -0.75 0.00 0.00 64.21 63.40 1mff n SER 90 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1mff h PRO 91 N 2.52 0.00 -0.03 -1.46 0.11 -1.97 0.26 132.00 131.43 1mff h PRO 91 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1mff h PRO 91 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1mff h PRO 91 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1mff n ASP 92 N -3.07 0.87 -0.83 -2.05 5.68 -1.26 -3.12 116.55 112.77 1mff n ASP 92 Ca -0.01 -1.37 0.02 0.00 -0.50 0.00 0.00 54.79 52.93 1mff n ASP 92 Cb 0.20 -0.02 0.20 0.00 -1.14 0.00 0.00 41.12 40.37 1mff n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1mff n ARG 93 N -0.29 1.72 -5.28 0.11 1.74 0.08 -4.97 116.66 109.77 1mff n ARG 93 Ca 0.19 -3.21 -0.31 0.00 -0.77 0.00 0.00 57.85 53.75 1mff n ARG 93 Cb 0.24 -1.71 -0.16 0.00 -1.02 0.00 0.00 32.46 29.81 1mff n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mff s VAL 94 N -3.22 2.06 -0.04 1.55 1.01 -1.18 -1.32 120.40 119.26 1mff s VAL 94 Ca 0.41 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1mff s VAL 94 Cb 0.38 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1mff s VAL 94 CO -0.03 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 1mff s PHE 95 N -0.28 2.13 -0.13 5.22 0.08 -0.91 -5.01 117.98 119.09 1mff s PHE 95 Ca -0.00 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.51 1mff s PHE 95 Cb -0.13 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1mff s PHE 95 CO 0.03 -0.14 -0.16 0.42 -0.10 0.00 0.00 175.22 175.27 1mff s ILE 96 N -0.26 1.60 -0.16 0.64 1.01 -1.26 -1.10 121.20 121.68 1mff s ILE 96 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1mff s ILE 96 Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1mff s ILE 96 CO 0.02 0.46 0.24 0.20 0.00 0.00 0.00 174.94 175.86 1mff s ASN 97 N 1.17 6.39 -0.17 3.58 0.01 0.12 -4.98 114.94 121.07 1mff s ASN 97 Ca -0.02 0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 52.54 1mff s ASN 97 Cb -0.14 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1mff s ASN 97 CO -0.05 0.16 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.37 1mff s TYR 98 N 0.21 3.06 -0.16 2.20 2.02 -1.26 -0.49 117.35 122.93 1mff s TYR 98 Ca 0.14 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1mff s TYR 98 Cb -0.13 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 1mff s TYR 98 CO 0.03 -0.04 -0.16 0.71 -1.57 0.00 0.00 175.55 174.52 1mff s TYR 99 N 0.46 2.36 -0.47 2.71 2.02 0.98 -4.96 117.35 120.44 1mff s TYR 99 Ca -0.02 -1.36 -0.26 0.00 -0.37 0.00 0.00 57.07 55.05 1mff s TYR 99 Cb -0.14 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1mff s TYR 99 CO 0.02 -0.71 0.98 0.34 -1.57 0.00 0.00 175.55 174.61 1mff s ASP 100 N 1.43 6.52 -0.01 2.29 2.15 -1.26 -1.66 116.67 126.13 1mff s ASP 100 Ca 0.05 0.17 -0.15 0.00 0.43 0.00 0.00 52.55 53.04 1mff s ASP 100 Cb -0.13 -2.48 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1mff s ASP 100 CO -0.11 -1.12 0.42 -0.04 -0.17 0.00 0.00 175.17 174.14 1mff s MET 101 N 3.97 3.98 0.40 4.34 -1.94 0.20 -4.91 119.30 125.34 1mff s MET 101 Ca 0.39 0.43 -0.25 0.00 -1.71 0.00 0.00 55.69 54.55 1mff s MET 101 Cb -0.09 -3.24 -0.09 0.00 2.01 0.00 0.00 34.83 33.42 1mff s MET 101 CO 0.27 0.64 1.12 1.21 -0.01 0.00 0.00 175.02 178.25 1mff s ASN 102 N -0.91 6.62 0.52 3.03 3.84 -1.26 -4.13 114.94 122.65 1mff s ASN 102 Ca 0.24 2.22 0.23 0.00 0.21 0.00 0.00 52.86 55.76 1mff s ASN 102 Cb -0.17 -2.60 1.41 0.00 -0.55 0.00 0.00 41.25 39.34 1mff s ASN 102 CO 0.13 -0.60 2.11 0.00 -2.79 0.00 0.00 177.10 175.96 1mff h ALA 103 N 2.61 1.56 0.00 1.71 0.00 -1.95 -0.50 119.26 122.69 1mff h ALA 103 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1mff h ALA 103 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mff h ALA 103 CO 0.62 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1mff n ALA 104 N -2.39 1.94 -0.77 0.00 0.00 -1.26 -2.62 120.51 115.41 1mff n ALA 104 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1mff n ALA 104 Cb 0.18 -1.37 0.29 0.00 0.00 0.00 0.00 19.45 18.55 1mff n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mff n ASN 105 N -1.79 4.28 -4.00 0.00 3.02 -0.20 -4.88 115.26 111.69 1mff n ASN 105 Ca 0.04 -2.72 -0.31 0.00 -0.03 0.00 0.00 54.58 51.56 1mff n ASN 105 Cb 0.27 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 1mff n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mff s VAL 106 N -2.32 1.82 0.10 2.41 1.01 -1.15 -4.92 120.40 117.36 1mff s VAL 106 Ca 0.43 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1mff s VAL 106 Cb 0.32 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1mff s VAL 106 CO 0.15 -0.03 0.48 -0.83 0.00 0.00 0.00 175.10 174.86 1mff s GLY 107 N 1.27 2.43 -0.29 4.51 0.00 -1.26 -2.26 107.32 111.72 1mff s GLY 107 Ca -0.06 -0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.27 1mff s GLY 107 CO -0.06 0.04 0.91 0.86 0.00 0.00 0.00 173.10 174.85 1mff s TRP 108 N -1.38 -0.71 -1.28 1.90 -0.00 0.83 -4.96 118.94 113.35 1mff s TRP 108 Ca 0.34 1.38 -0.07 0.00 -0.00 0.00 0.00 56.10 57.75 1mff s TRP 108 Cb -0.15 0.42 0.01 0.00 -0.00 0.00 0.00 33.47 33.75 1mff s TRP 108 CO 0.18 -0.35 0.91 -1.71 -0.00 0.00 0.00 176.95 175.98 1mff n ASN 109 N 4.03 -5.88 0.00 5.86 4.05 -1.26 -1.17 115.26 120.89 1mff n ASN 109 Ca -0.18 -0.42 0.00 0.00 0.45 0.00 0.00 54.58 54.44 1mff n ASN 109 Cb 0.57 -4.56 0.00 0.00 1.23 0.00 0.00 39.78 37.02 1mff n ASN 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mff n GLY 110 N -1.74 0.57 0.00 8.20 0.00 -1.26 -4.97 105.19 105.99 1mff n GLY 110 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mff n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mff n SER 111 N -0.11 0.00 -4.54 1.61 2.88 -0.32 -5.18 113.62 107.96 1mff n SER 111 Ca 0.00 -0.11 -0.29 0.00 -1.33 0.00 0.00 58.87 57.14 1mff n SER 111 Cb 0.05 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 1mff n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mff s THR 112 N -1.35 1.18 -2.31 2.46 -4.23 -1.26 -0.12 115.64 110.01 1mff s THR 112 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1mff s THR 112 Cb 0.00 -2.44 0.50 0.00 1.34 0.00 0.00 72.50 71.90 1mff s THR 112 CO 0.00 0.00 1.62 0.49 -0.54 0.00 0.00 174.62 176.19 1mff n PHE 113 N -1.06 0.14 1.67 3.99 3.72 -0.96 -4.87 117.46 120.09 1mff n PHE 113 Ca -0.11 -0.07 0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1mff n PHE 113 Cb 0.66 0.00 0.79 0.00 -0.94 0.00 0.00 39.48 40.00 1mff n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71