#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mif s MET 3 N 0.00 2.45 -0.11 -0.52 -1.94 -0.33 -1.43 119.30 117.41 1mif s MET 3 Ca 0.00 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.37 1mif s MET 3 Cb 0.00 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.79 1mif s MET 3 CO 0.00 -0.06 -0.23 0.12 -0.01 0.00 0.00 175.02 174.84 1mif s PHE 4 N 0.97 2.57 -0.04 -0.03 5.36 -0.33 -1.24 117.98 125.24 1mif s PHE 4 Ca -0.06 -1.11 0.05 0.00 -0.96 0.00 0.00 56.93 54.85 1mif s PHE 4 Cb -0.15 -1.72 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1mif s PHE 4 CO -0.02 -0.46 -0.18 0.42 -1.46 0.00 0.00 175.22 173.51 1mif s ILE 5 N 0.46 1.52 -0.14 3.12 -1.09 -0.82 -1.23 121.20 123.01 1mif s ILE 5 Ca -0.16 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1mif s ILE 5 Cb -0.17 -1.29 0.03 0.00 -1.58 0.00 0.00 42.46 39.45 1mif s ILE 5 CO 0.06 0.43 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.41 1mif s VAL 6 N -0.11 1.33 -0.15 2.92 1.01 -0.41 -2.08 120.40 122.90 1mif s VAL 6 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1mif s VAL 6 Cb -0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1mif s VAL 6 CO 0.02 0.34 -0.06 0.20 0.00 0.00 0.00 175.10 175.60 1mif s ASN 7 N 1.57 4.60 -0.00 3.32 -0.87 -0.38 -0.02 114.94 123.16 1mif s ASN 7 Ca 0.04 -0.19 -0.13 0.00 -1.57 0.00 0.00 52.86 51.01 1mif s ASN 7 Cb -0.13 -1.74 0.02 0.00 -0.02 0.00 0.00 41.25 39.37 1mif s ASN 7 CO -0.09 0.16 0.26 0.28 -2.57 0.00 0.00 177.10 175.14 1mif s THR 8 N 0.42 0.07 -1.87 1.60 -1.32 -0.18 -1.02 115.64 113.34 1mif s THR 8 Ca -0.05 -0.57 0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1mif s THR 8 Cb -0.15 -0.62 0.60 0.00 -1.51 0.00 0.00 72.50 70.83 1mif s THR 8 CO 0.03 -0.32 1.96 -0.46 -2.21 0.00 0.00 174.62 173.63 1mif n ASN 9 N 1.21 0.47 -4.77 8.08 6.94 -1.20 -0.93 115.26 125.07 1mif n ASN 9 Ca -0.21 -0.81 -0.41 0.00 -0.02 0.00 0.00 54.58 53.13 1mif n ASN 9 Cb 0.56 -0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 1mif n ASN 9 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mif s VAL 10 N -2.27 2.44 0.46 3.53 1.01 -1.26 -4.36 120.40 119.94 1mif s VAL 10 Ca 0.36 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 1mif s VAL 10 Cb 0.21 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.23 1mif s VAL 10 CO 0.42 0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.54 1mif s PRO 11 N -1.88 3.87 -0.19 2.72 0.04 -1.26 -0.40 135.00 137.90 1mif s PRO 11 Ca 0.51 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1mif s PRO 11 Cb -0.43 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 1mif s PRO 11 CO 0.57 -0.40 1.32 0.50 0.04 0.00 0.00 177.00 179.03 1mif s ARG 12 N -2.88 4.14 0.00 4.56 3.52 -1.26 -2.00 118.95 125.02 1mif s ARG 12 Ca 0.64 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1mif s ARG 12 Cb -0.21 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 1mif s ARG 12 CO 0.26 -0.83 0.00 0.00 -0.81 0.00 0.00 175.30 173.92 1mif n ALA 13 N 6.96 0.00 1.01 6.12 0.00 -1.26 -4.88 120.51 128.46 1mif n ALA 13 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1mif n ALA 13 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1mif n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mif n SER 14 N 0.00 1.17 -4.58 0.00 7.64 -0.85 -4.83 113.62 112.18 1mif n SER 14 Ca 0.00 -1.01 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 1mif n SER 14 Cb 0.00 0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 1mif n SER 14 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mif s VAL 15 N -2.86 4.20 0.53 0.44 1.01 -1.26 -4.81 120.40 117.66 1mif s VAL 15 Ca 0.12 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1mif s VAL 15 Cb 0.17 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1mif s VAL 15 CO 0.76 -1.12 1.34 -2.16 0.00 0.00 0.00 175.10 173.92 1mif s PRO 16 N 4.46 3.26 0.12 2.72 0.04 -1.26 -4.93 135.00 139.41 1mif s PRO 16 Ca 0.42 2.19 -0.31 0.00 0.04 0.00 0.00 61.00 63.34 1mif s PRO 16 Cb -0.08 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1mif s PRO 16 CO 0.27 -1.08 1.81 0.34 0.04 0.00 0.00 177.00 178.38 1mif s ASP 17 N -0.97 6.44 0.00 6.66 2.15 -1.26 -2.11 116.67 127.58 1mif s ASP 17 Ca 0.70 2.74 0.00 0.00 0.43 0.00 0.00 52.55 56.42 1mif s ASP 17 Cb -0.39 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.66 1mif s ASP 17 CO 0.47 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 1mif n GLY 18 N 4.21 0.71 0.23 2.66 0.00 -1.26 -5.00 105.19 106.74 1mif n GLY 18 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1mif n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mif h PHE 19 N 0.00 0.80 -0.12 1.61 3.57 -1.80 0.72 116.94 121.73 1mif h PHE 19 Ca 0.00 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 1mif h PHE 19 Cb 0.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1mif h PHE 19 CO 0.00 0.70 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.25 1mif h LEU 20 N 0.66 0.32 0.27 0.59 4.07 -1.95 -0.82 115.31 118.46 1mif h LEU 20 Ca 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1mif h LEU 20 Cb 0.29 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1mif h LEU 20 CO -0.00 0.74 -0.13 0.28 -1.08 0.00 0.00 178.44 178.24 1mif h SER 21 N 0.24 -0.31 -0.84 -0.43 0.02 -1.92 -2.32 113.55 107.98 1mif h SER 21 Ca 0.02 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1mif h SER 21 Cb 0.91 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 1mif h SER 21 CO 0.07 -0.00 0.55 -0.08 -1.14 0.00 0.00 176.83 176.23 1mif h GLU 22 N -0.63 1.05 -0.77 3.45 4.81 -0.72 -2.26 114.58 119.51 1mif h GLU 22 Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1mif h GLU 22 Cb 0.45 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1mif h GLU 22 CO 0.06 0.69 0.44 -0.07 -0.73 0.00 0.00 179.01 179.40 1mif h LEU 23 N 1.08 0.95 0.08 1.64 3.38 -1.11 -0.88 115.31 120.45 1mif h LEU 23 Ca 0.33 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1mif h LEU 23 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1mif h LEU 23 CO -0.10 0.76 -0.11 0.74 0.09 0.00 0.00 178.44 179.83 1mif h THR 24 N 1.06 0.75 -0.44 0.22 2.02 -0.93 0.11 112.91 115.71 1mif h THR 24 Ca 0.27 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 1mif h THR 24 Cb 0.01 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1mif h THR 24 CO -0.05 0.00 0.06 1.56 0.37 0.00 0.00 175.52 177.47 1mif h GLN 25 N -0.22 0.74 -0.08 6.66 4.20 -1.31 -0.58 115.11 124.51 1mif h GLN 25 Ca 0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1mif h GLN 25 Cb 0.23 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1mif h GLN 25 CO -0.05 0.77 0.02 1.96 -0.67 0.00 0.00 178.83 180.85 1mif h GLN 26 N 0.60 0.13 -0.30 1.46 1.08 -1.08 -1.98 115.11 115.02 1mif h GLN 26 Ca 0.13 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1mif h GLN 26 Cb 0.40 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1mif h GLN 26 CO 0.01 0.34 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.10 1mif h LEU 27 N -0.10 0.46 -0.35 1.46 3.38 -0.70 -0.85 115.31 118.61 1mif h LEU 27 Ca 0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1mif h LEU 27 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1mif h LEU 27 CO 0.00 0.57 0.05 0.00 0.09 0.00 0.00 178.44 179.15 1mif h ALA 28 N 1.48 0.47 -0.13 1.53 0.00 -1.01 0.63 119.26 122.24 1mif h ALA 28 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1mif h ALA 28 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mif h ALA 28 CO 0.02 0.18 -0.32 1.96 0.00 0.00 0.00 179.25 181.08 1mif h GLN 29 N 0.42 0.25 -0.05 0.00 4.20 -1.16 -0.28 115.11 118.48 1mif h GLN 29 Ca 0.11 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 1mif h GLN 29 Cb 0.37 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1mif h GLN 29 CO 0.01 0.55 -0.46 0.00 -0.67 0.00 0.00 178.83 178.26 1mif h ALA 30 N 1.45 0.13 0.00 3.87 0.00 -0.83 -3.31 119.26 120.57 1mif h ALA 30 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1mif h ALA 30 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1mif h ALA 30 CO 0.05 0.30 -0.79 1.79 0.00 0.00 0.00 179.25 180.59 1mif h THR 31 N -0.07 0.00 0.00 0.00 1.35 -0.89 -3.48 112.91 109.81 1mif h THR 31 Ca -0.04 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1mif h THR 31 Cb 1.14 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1mif h THR 31 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1mif n GLY 32 N 1.30 0.57 3.87 5.82 0.00 -0.13 -4.97 105.19 111.64 1mif n GLY 32 Ca 0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1mif n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mif s LYS 33 N -0.30 3.67 0.53 1.61 -0.14 -1.11 -5.01 119.74 118.99 1mif s LYS 33 Ca 0.00 0.08 -0.22 0.00 -1.36 0.00 0.00 55.97 54.47 1mif s LYS 33 Cb 0.00 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 32.98 1mif s LYS 33 CO 0.00 0.66 1.33 -1.25 -0.76 0.00 0.00 175.35 175.33 1mif s PRO 34 N -1.51 3.27 0.50 -1.68 0.04 -1.26 -4.53 135.00 129.83 1mif s PRO 34 Ca 0.26 2.17 0.30 0.00 0.04 0.00 0.00 61.00 63.77 1mif s PRO 34 Cb -0.14 -2.30 1.65 0.00 0.04 0.00 0.00 34.50 33.75 1mif s PRO 34 CO 0.14 -1.06 1.92 -1.00 0.04 0.00 0.00 177.00 177.03 1mif h PRO 35 N 1.60 0.00 0.00 0.56 0.13 -1.91 -2.81 132.00 129.57 1mif h PRO 35 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1mif h PRO 35 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1mif h PRO 35 CO 0.58 0.00 -0.15 0.37 -0.23 0.00 0.00 178.00 178.57 1mif h GLN 36 N 0.00 0.00 -0.00 0.86 5.75 -1.97 -1.78 115.11 117.97 1mif h GLN 36 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1mif h GLN 36 Cb 0.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1mif h GLN 36 CO 0.00 0.15 -0.28 0.66 -2.65 0.00 0.00 178.83 176.71 1mif n TYR 37 N -4.05 0.00 -3.08 3.99 4.01 -1.06 -4.89 117.16 112.08 1mif n TYR 37 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1mif n TYR 37 Cb 0.23 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 1mif n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mif s ILE 38 N -2.88 5.00 -0.10 -0.72 1.01 -0.67 -3.01 121.20 119.83 1mif s ILE 38 Ca 0.16 1.25 -0.01 0.00 0.00 0.00 0.00 60.65 62.04 1mif s ILE 38 Cb 0.18 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1mif s ILE 38 CO 0.60 0.10 -0.04 0.00 0.00 0.00 0.00 174.94 175.60 1mif s ALA 39 N 1.96 3.07 -0.05 9.38 0.00 -0.52 -4.98 121.76 130.63 1mif s ALA 39 Ca 0.30 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1mif s ALA 39 Cb -0.16 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1mif s ALA 39 CO 0.11 0.46 -0.11 0.08 0.00 0.00 0.00 175.76 176.30 1mif s VAL 40 N -0.44 0.96 -0.06 0.00 1.01 -1.26 -1.18 120.40 119.43 1mif s VAL 40 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1mif s VAL 40 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1mif s VAL 40 CO 0.02 0.31 -0.05 -2.28 0.00 0.00 0.00 175.10 173.10 1mif s HIS 41 N 0.48 0.90 -0.09 5.22 2.46 -0.36 -4.98 115.29 118.91 1mif s HIS 41 Ca -0.09 -0.30 0.03 0.00 0.47 0.00 0.00 55.06 55.17 1mif s HIS 41 Cb -0.13 -0.81 0.01 0.00 -0.13 0.00 0.00 32.58 31.52 1mif s HIS 41 CO 0.02 -0.27 -0.18 0.08 -2.47 0.00 0.00 174.74 171.92 1mif s VAL 42 N 1.19 1.63 -0.30 0.89 1.01 -1.26 -1.29 120.40 122.27 1mif s VAL 42 Ca -0.06 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1mif s VAL 42 Cb -0.14 -1.45 0.08 0.00 0.00 0.00 0.00 36.38 34.87 1mif s VAL 42 CO -0.01 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.83 1mif s VAL 43 N 0.61 2.23 0.73 2.92 1.01 0.96 -4.96 120.40 123.90 1mif s VAL 43 Ca -0.14 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.84 1mif s VAL 43 Cb -0.16 -2.49 0.13 0.00 0.00 0.00 0.00 36.38 33.86 1mif s VAL 43 CO 0.04 -0.32 1.01 -2.84 0.00 0.00 0.00 175.10 172.99 1mif s PRO 44 N 1.00 1.62 -1.46 2.72 0.02 -1.26 -1.01 135.00 136.63 1mif s PRO 44 Ca 0.01 -1.17 -0.04 0.00 0.02 0.00 0.00 61.00 59.82 1mif s PRO 44 Cb -0.20 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 32.02 1mif s PRO 44 CO -0.06 -1.49 0.38 -0.25 -0.33 0.00 0.00 177.00 175.24 1mif n ASP 45 N -2.86 -5.19 -4.85 2.53 8.00 0.46 -4.83 116.55 109.81 1mif n ASP 45 Ca 0.16 -0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.15 1mif n ASP 45 Cb 0.61 -4.26 -0.03 0.00 -0.02 0.00 0.00 41.12 37.42 1mif n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mif s GLN 46 N -5.56 3.91 0.00 -1.24 -1.52 -0.10 -4.94 119.66 110.22 1mif s GLN 46 Ca 0.23 0.86 0.00 0.00 -1.95 0.00 0.00 55.36 54.49 1mif s GLN 46 Cb -0.11 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.49 1mif s GLN 46 CO 0.28 -0.22 0.41 1.28 -0.25 0.00 0.00 175.29 176.78 1mif n LEU 47 N -1.52 0.76 -0.78 2.90 4.77 -1.26 -4.15 117.00 117.71 1mif n LEU 47 Ca 0.06 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1mif n LEU 47 Cb 0.54 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1mif n LEU 47 CO 0.47 -0.08 0.00 1.15 -1.33 0.00 0.00 177.39 177.60 1mif n MET 48 N -0.74 0.00 -3.71 3.23 0.00 -1.26 -4.78 117.12 109.86 1mif n MET 48 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 1mif n MET 48 Cb 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 33.22 32.71 1mif n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1mif s ALA 49 N -3.64 -1.00 -0.17 3.17 0.00 -1.26 -4.70 121.76 114.16 1mif s ALA 49 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1mif s ALA 49 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1mif s ALA 49 CO 0.00 -0.28 -0.17 0.34 0.00 0.00 0.00 175.76 175.65 1mif n PHE 50 N 1.28 0.00 -2.56 0.00 -0.00 -0.27 -4.70 117.46 111.20 1mif n PHE 50 Ca -0.21 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.10 1mif n PHE 50 Cb 0.56 -0.63 0.02 0.00 -0.00 0.00 0.00 39.48 39.44 1mif n PHE 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1mif n GLY 51 N 2.44 3.46 2.81 7.13 0.00 -1.26 -4.79 105.19 114.98 1mif n GLY 51 Ca -0.31 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 1mif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mif n GLY 52 N -0.34 -0.14 2.92 -0.02 0.00 -1.26 -4.99 105.19 101.36 1mif n GLY 52 Ca 0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1mif n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mif s SER 53 N -3.00 -0.07 -0.46 1.61 0.15 -1.26 -5.05 113.70 105.61 1mif s SER 53 Ca 0.31 0.17 0.03 0.00 0.70 0.00 0.00 55.95 57.16 1mif s SER 53 Cb -0.14 0.14 0.59 0.00 -1.71 0.00 0.00 66.02 64.90 1mif s SER 53 CO 0.39 -0.06 1.90 -1.20 1.20 0.00 0.00 173.24 175.46 1mif n SER 54 N 3.41 4.45 -4.78 5.45 7.64 -1.26 -1.12 113.62 127.42 1mif n SER 54 Ca -0.17 -3.55 -0.31 0.00 1.01 0.00 0.00 58.87 55.85 1mif n SER 54 Cb 0.57 -0.85 0.09 0.00 -1.01 0.00 0.00 64.21 63.00 1mif n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mif s GLU 55 N -3.19 2.27 0.04 1.43 2.02 -1.26 -4.88 118.70 115.12 1mif s GLU 55 Ca 0.55 1.03 -0.37 0.00 0.02 0.00 0.00 54.97 56.20 1mif s GLU 55 Cb 0.46 -1.91 -0.16 0.00 0.10 0.00 0.00 34.13 32.61 1mif s GLU 55 CO 0.08 -1.59 1.43 -2.30 0.02 0.00 0.00 175.26 172.91 1mif n PRO 56 N -3.47 1.27 -4.03 0.39 -0.02 -1.26 -4.81 135.00 123.07 1mif n PRO 56 Ca 0.08 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 1mif n PRO 56 Cb 0.54 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1mif n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mif s ALA 58 N -3.86 -1.04 -0.16 0.00 0.00 -1.03 -3.24 121.76 112.43 1mif s ALA 58 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1mif s ALA 58 Cb 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1mif s ALA 58 CO 0.11 -0.26 -0.13 -0.51 0.00 0.00 0.00 175.76 174.97 1mif s LEU 59 N -0.75 1.86 0.36 0.00 1.43 -0.19 -2.46 118.68 118.92 1mif s LEU 59 Ca -0.08 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1mif s LEU 59 Cb -0.04 -1.18 -0.07 0.00 0.03 0.00 0.00 46.19 44.93 1mif s LEU 59 CO 0.04 -0.09 0.02 0.00 0.23 0.00 0.00 176.35 176.55 1mif s SER 61 N -3.59 -0.46 -0.12 0.00 1.04 -0.88 -0.87 113.70 108.81 1mif s SER 61 Ca 0.35 0.71 -0.00 0.00 0.48 0.00 0.00 55.95 57.48 1mif s SER 61 Cb 0.09 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.97 1mif s SER 61 CO 0.16 -0.33 -0.08 -0.22 0.98 0.00 0.00 173.24 173.76 1mif s LEU 62 N -0.45 1.25 -0.07 2.42 2.96 0.29 -1.94 118.68 123.14 1mif s LEU 62 Ca -0.06 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1mif s LEU 62 Cb -0.03 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1mif s LEU 62 CO 0.03 -0.13 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.93 1mif s HIS 63 N 1.69 3.10 -0.10 5.38 3.76 -0.37 -0.06 115.29 128.69 1mif s HIS 63 Ca 0.04 0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.81 1mif s HIS 63 Cb -0.13 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.87 1mif s HIS 63 CO -0.08 0.44 0.67 0.45 -0.85 0.00 0.00 174.74 175.37 1mif s SER 64 N -0.93 -0.66 -0.78 1.40 0.15 -0.45 -1.19 113.70 111.24 1mif s SER 64 Ca 0.14 0.87 -0.21 0.00 0.70 0.00 0.00 55.95 57.45 1mif s SER 64 Cb -0.11 0.76 0.10 0.00 -1.71 0.00 0.00 66.02 65.05 1mif s SER 64 CO 0.03 -0.51 1.02 -0.63 1.20 0.00 0.00 173.24 174.34 1mif s ILE 65 N -0.80 4.54 0.00 6.45 1.01 -1.26 0.25 121.20 131.39 1mif s ILE 65 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1mif s ILE 65 Cb -0.01 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.74 1mif s ILE 65 CO 0.08 -1.45 0.00 0.61 0.00 0.00 0.00 174.94 174.17 1mif n GLY 66 N 5.42 -2.00 1.64 6.18 0.00 -1.26 -4.95 105.19 110.21 1mif n GLY 66 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1mif n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mif n LYS 67 N -2.39 0.00 -4.31 1.61 4.01 -1.26 -4.96 118.16 110.86 1mif n LYS 67 Ca 0.00 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.46 1mif n LYS 67 Cb 0.00 -2.42 -0.10 0.00 -0.51 0.00 0.00 35.03 32.00 1mif n LYS 67 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mif s ILE 68 N -2.04 4.29 0.00 -0.18 -1.09 -1.26 -4.79 121.20 116.13 1mif s ILE 68 Ca 0.00 -0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 1mif s ILE 68 Cb 0.00 -2.85 0.11 0.00 -1.58 0.00 0.00 42.46 38.14 1mif s ILE 68 CO 0.00 0.55 1.26 -0.83 -1.23 0.00 0.00 174.94 174.69 1mif s GLY 69 N -0.31 -0.38 0.10 6.18 0.00 -1.26 -4.97 107.32 106.68 1mif s GLY 69 Ca 0.07 0.61 -0.32 0.00 0.00 0.00 0.00 44.72 45.07 1mif s GLY 69 CO 0.02 0.35 1.59 -1.33 0.00 0.00 0.00 173.10 173.73 1mif h GLY 70 N 2.00 -0.92 0.91 0.20 0.00 -1.98 0.24 103.07 103.52 1mif h GLY 70 Ca -0.30 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1mif h GLY 70 CO 0.28 -0.29 0.10 0.00 0.00 0.00 0.00 176.54 176.63 1mif h ALA 71 N -0.31 0.31 0.26 3.60 0.00 -1.99 -2.53 119.26 118.59 1mif h ALA 71 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mif h ALA 71 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1mif h ALA 71 CO -0.18 -0.11 -0.20 1.96 0.00 0.00 0.00 179.25 180.72 1mif h GLN 72 N 0.24 -0.46 -0.49 0.00 4.20 -1.88 -2.29 115.11 114.44 1mif h GLN 72 Ca 0.08 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1mif h GLN 72 Cb 0.16 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1mif h GLN 72 CO -0.01 -0.30 0.33 -0.91 -0.67 0.00 0.00 178.83 177.27 1mif h ASN 73 N -0.47 0.34 -0.13 1.46 2.35 -0.52 0.92 115.58 119.53 1mif h ASN 73 Ca -0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1mif h ASN 73 Cb 0.42 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1mif h ASN 73 CO -0.01 0.22 -0.18 -0.09 -1.65 0.00 0.00 177.43 175.72 1mif h ARG 74 N 0.39 0.53 -0.07 0.81 9.65 -1.09 -1.20 114.38 123.40 1mif h ARG 74 Ca 0.22 -0.18 -0.23 0.00 -1.10 0.00 0.00 59.98 58.68 1mif h ARG 74 Cb 0.35 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1mif h ARG 74 CO -0.05 0.69 -0.86 0.77 2.80 0.00 0.00 179.97 183.32 1mif h SER 75 N 0.48 0.88 -0.48 -3.80 0.02 -0.34 -3.00 113.55 107.31 1mif h SER 75 Ca 0.08 -0.69 -0.04 0.00 -0.84 0.00 0.00 61.79 60.31 1mif h SER 75 Cb 0.59 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1mif h SER 75 CO 0.04 1.44 0.18 1.88 -1.14 0.00 0.00 176.83 179.23 1mif h TYR 76 N 0.40 0.79 -0.69 3.45 0.05 -0.86 0.36 116.97 120.47 1mif h TYR 76 Ca -0.09 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1mif h TYR 76 Cb 1.51 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.98 1mif h TYR 76 CO 0.10 0.63 0.24 0.77 -1.05 0.00 0.00 178.16 178.85 1mif h SER 77 N 0.76 0.99 0.51 3.88 0.02 -1.23 0.47 113.55 118.95 1mif h SER 77 Ca 0.18 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1mif h SER 77 Cb 0.20 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1mif h SER 77 CO -0.01 0.92 -0.24 0.50 -1.14 0.00 0.00 176.83 176.85 1mif h LYS 78 N 1.00 -0.66 0.66 3.45 3.11 -1.30 0.39 116.57 123.22 1mif h LYS 78 Ca 0.23 0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1mif h LYS 78 Cb 0.27 0.15 0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1mif h LYS 78 CO -0.01 -0.42 -0.32 1.25 -2.81 0.00 0.00 179.45 177.14 1mif h LEU 79 N -0.73 -0.76 -0.49 5.20 5.85 -0.64 -2.23 115.31 121.51 1mif h LEU 79 Ca -0.07 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1mif h LEU 79 Cb 0.55 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1mif h LEU 79 CO 0.11 -0.54 0.09 -0.07 -0.34 0.00 0.00 178.44 177.70 1mif h LEU 80 N -0.89 -0.01 -1.49 2.25 -0.00 -0.14 -1.78 115.31 113.25 1mif h LEU 80 Ca -0.09 0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1mif h LEU 80 Cb 0.69 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1mif h LEU 80 CO 0.15 0.02 -0.24 0.00 -0.00 0.00 0.00 178.44 178.38 1mif h GLY 82 N 1.24 0.96 0.77 0.00 0.00 -0.69 -2.04 103.07 103.31 1mif h GLY 82 Ca -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.27 1mif h GLY 82 CO 0.03 0.91 -0.06 -2.00 0.00 0.00 0.00 176.54 175.42 1mif h LEU 83 N 0.71 0.35 -1.11 3.11 5.85 -1.12 -0.22 115.31 122.87 1mif h LEU 83 Ca 0.05 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1mif h LEU 83 Cb 1.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1mif h LEU 83 CO 0.10 0.66 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.70 1mif h LEU 84 N 0.03 0.50 0.71 2.25 3.38 -1.40 0.51 115.31 121.28 1mif h LEU 84 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1mif h LEU 84 Cb 0.52 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1mif h LEU 84 CO 0.02 0.63 -0.34 0.00 0.09 0.00 0.00 178.44 178.84 1mif h ALA 85 N 1.42 -0.97 0.64 1.53 0.00 -1.23 0.04 119.26 120.70 1mif h ALA 85 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mif h ALA 85 Cb 0.46 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1mif h ALA 85 CO 0.02 -0.90 -0.39 0.93 0.00 0.00 0.00 179.25 178.92 1mif h GLU 86 N -1.24 -0.93 0.12 0.00 5.08 -0.94 0.13 114.58 116.80 1mif h GLU 86 Ca -0.10 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1mif h GLU 86 Cb 0.73 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1mif h GLU 86 CO 0.16 -0.62 -0.06 0.00 -1.00 0.00 0.00 179.01 177.49 1mif h ARG 87 N -0.97 -0.15 -0.01 2.33 2.47 -0.09 -3.37 114.38 114.59 1mif h ARG 87 Ca -0.08 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1mif h ARG 87 Cb 0.78 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1mif h ARG 87 CO 0.09 0.24 -0.50 1.28 0.56 0.00 0.00 179.97 181.63 1mif n LEU 88 N -4.97 1.83 -3.11 3.04 4.77 -0.14 -4.79 117.00 113.63 1mif n LEU 88 Ca -0.09 -0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 55.02 1mif n LEU 88 Cb 0.24 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1mif n LEU 88 CO 0.31 0.35 0.05 0.54 -1.33 0.00 0.00 177.39 177.31 1mif n ARG 89 N -0.21 -3.35 -5.10 3.23 1.74 0.45 -4.97 116.66 108.45 1mif n ARG 89 Ca 0.08 0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 57.62 1mif n ARG 89 Cb 0.43 -5.44 -0.16 0.00 -1.02 0.00 0.00 32.46 26.27 1mif n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1mif s ILE 90 N -3.34 2.43 0.26 0.55 1.01 -1.12 -4.94 121.20 116.04 1mif s ILE 90 Ca 0.27 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1mif s ILE 90 Cb -0.04 -1.93 -0.10 0.00 0.01 0.00 0.00 42.46 40.41 1mif s ILE 90 CO 0.66 0.56 1.42 -0.55 0.00 0.00 0.00 174.94 177.04 1mif s SER 91 N -0.12 6.66 0.55 3.58 0.15 -1.26 -3.86 113.70 119.40 1mif s SER 91 Ca -0.04 2.68 0.23 0.00 0.70 0.00 0.00 55.95 59.52 1mif s SER 91 Cb -0.14 -2.63 1.53 0.00 -1.71 0.00 0.00 66.02 63.07 1mif s SER 91 CO 0.04 -0.68 2.18 -0.65 1.20 0.00 0.00 173.24 175.32 1mif h PRO 92 N 4.80 0.00 -0.15 5.44 0.11 -1.96 -1.42 132.00 138.81 1mif h PRO 92 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mif h PRO 92 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1mif h PRO 92 CO 0.76 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1mif n ASP 93 N -4.20 1.01 -0.45 -2.05 5.75 -1.26 -2.61 116.55 112.74 1mif n ASP 93 Ca -0.02 -1.82 0.07 0.00 -0.01 0.00 0.00 54.79 53.02 1mif n ASP 93 Cb 0.13 -0.10 0.19 0.00 -1.03 0.00 0.00 41.12 40.31 1mif n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mif n ARG 94 N -0.03 1.52 -4.18 0.11 1.74 -0.53 -4.99 116.66 110.29 1mif n ARG 94 Ca 0.10 -3.05 -0.27 0.00 -0.77 0.00 0.00 57.85 53.86 1mif n ARG 94 Cb 0.19 -1.59 -0.17 0.00 -1.02 0.00 0.00 32.46 29.87 1mif n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mif s VAL 95 N -3.11 1.20 -0.08 1.55 1.01 -1.07 -2.46 120.40 117.43 1mif s VAL 95 Ca 0.36 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1mif s VAL 95 Cb 0.34 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1mif s VAL 95 CO -0.03 0.39 -0.11 -0.31 0.00 0.00 0.00 175.10 175.04 1mif s TYR 96 N 1.29 2.82 -0.14 5.22 2.02 -1.03 -5.02 117.35 122.51 1mif s TYR 96 Ca -0.02 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1mif s TYR 96 Cb -0.14 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1mif s TYR 96 CO -0.04 0.15 -0.05 0.42 -1.57 0.00 0.00 175.55 174.45 1mif s ILE 97 N -0.48 0.99 -0.09 2.71 1.01 -1.26 -0.49 121.20 123.59 1mif s ILE 97 Ca 0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1mif s ILE 97 Cb -0.12 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1mif s ILE 97 CO 0.02 0.21 0.41 0.20 0.00 0.00 0.00 174.94 175.77 1mif s ASN 98 N 1.70 6.67 -0.12 3.58 0.01 -0.05 -4.93 114.94 121.81 1mif s ASN 98 Ca 0.03 0.79 -0.03 0.00 -0.71 0.00 0.00 52.86 52.94 1mif s ASN 98 Cb -0.14 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1mif s ASN 98 CO -0.08 0.14 0.01 -0.31 -1.51 0.00 0.00 177.10 175.36 1mif s TYR 99 N -0.04 3.17 -0.07 2.20 2.02 -1.26 -0.54 117.35 122.83 1mif s TYR 99 Ca 0.23 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1mif s TYR 99 Cb -0.15 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1mif s TYR 99 CO 0.10 0.33 -0.11 0.71 -1.57 0.00 0.00 175.55 175.01 1mif s TYR 100 N -0.43 1.39 -0.68 2.71 2.02 0.91 -4.95 117.35 118.32 1mif s TYR 100 Ca 0.08 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1mif s TYR 100 Cb -0.12 -1.05 0.18 0.00 -0.40 0.00 0.00 41.96 40.57 1mif s TYR 100 CO 0.02 -0.29 0.58 0.34 -1.57 0.00 0.00 175.55 174.63 1mif s ASP 101 N 0.79 6.13 0.34 2.29 2.15 -1.26 -1.34 116.67 125.76 1mif s ASP 101 Ca -0.12 -2.49 -0.27 0.00 0.43 0.00 0.00 52.55 50.09 1mif s ASP 101 Cb -0.15 -2.09 -0.09 0.00 -0.30 0.00 0.00 42.92 40.29 1mif s ASP 101 CO 0.02 -0.58 1.14 -0.04 -0.17 0.00 0.00 175.17 175.54 1mif s MET 102 N 0.48 4.37 -0.03 4.34 -1.94 0.14 -4.90 119.30 121.76 1mif s MET 102 Ca 0.14 1.82 -0.24 0.00 -1.71 0.00 0.00 55.69 55.70 1mif s MET 102 Cb -0.18 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1mif s MET 102 CO -0.05 -0.04 0.71 1.21 -0.01 0.00 0.00 175.02 176.84 1mif s ASN 103 N -1.01 7.05 0.29 3.03 2.47 -1.26 -4.14 114.94 121.36 1mif s ASN 103 Ca 0.51 1.26 0.03 0.00 0.42 0.00 0.00 52.86 55.07 1mif s ASN 103 Cb -0.31 -2.42 0.70 0.00 -1.45 0.00 0.00 41.25 37.76 1mif s ASN 103 CO 0.40 -0.07 1.69 0.00 -3.72 0.00 0.00 177.10 175.41 1mif h ALA 104 N 6.38 1.37 0.00 1.71 0.00 -1.95 0.31 119.26 127.09 1mif h ALA 104 Ca -0.42 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mif h ALA 104 Cb 1.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1mif h ALA 104 CO 0.74 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1mif n ALA 105 N -2.53 1.35 -1.19 0.00 0.00 -1.22 -2.20 120.51 114.72 1mif n ALA 105 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 1mif n ALA 105 Cb 0.63 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 19.22 1mif n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mif n SER 106 N -1.43 3.46 -3.75 0.00 7.64 0.11 -4.84 113.62 114.81 1mif n SER 106 Ca 0.02 -3.37 -0.28 0.00 1.01 0.00 0.00 58.87 56.24 1mif n SER 106 Cb 0.07 -0.62 -0.16 0.00 -1.01 0.00 0.00 64.21 62.48 1mif n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mif s VAL 107 N -3.04 0.68 0.20 0.44 1.01 -0.94 -4.88 120.40 113.86 1mif s VAL 107 Ca 0.46 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1mif s VAL 107 Cb 0.39 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.44 1mif s VAL 107 CO 0.06 -0.33 0.78 -0.83 0.00 0.00 0.00 175.10 174.79 1mif s GLY 108 N 1.77 2.84 0.17 4.51 0.00 -1.26 -2.55 107.32 112.80 1mif s GLY 108 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1mif s GLY 108 CO -0.13 0.81 0.00 1.87 0.00 0.00 0.00 173.10 175.65 1mif n TRP 109 N 1.28 -1.36 -3.22 1.90 -0.00 -0.37 -4.95 117.44 110.73 1mif n TRP 109 Ca -0.04 0.24 -0.24 0.00 -0.00 0.00 0.00 57.50 57.46 1mif n TRP 109 Cb 0.49 0.45 -0.06 0.00 -0.00 0.00 0.00 31.31 32.19 1mif n TRP 109 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1mif n ASN 110 N -3.18 1.45 -0.33 5.87 4.05 -1.26 -4.81 115.26 117.06 1mif n ASN 110 Ca 0.00 -3.00 -0.04 0.00 0.45 0.00 0.00 54.58 51.98 1mif n ASN 110 Cb 0.04 -0.64 -0.02 0.00 1.23 0.00 0.00 39.78 40.39 1mif n ASN 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mif n ASN 111 N 0.91 -3.61 0.00 1.20 4.13 -1.26 -4.92 115.26 111.71 1mif n ASN 111 Ca 0.25 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1mif n ASN 111 Cb 0.52 -1.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1mif n ASN 111 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1mif n SER 112 N 0.99 0.00 -4.12 6.41 2.88 -1.26 -5.19 113.62 113.33 1mif n SER 112 Ca -0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 1mif n SER 112 Cb 0.16 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.52 1mif n SER 112 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mif s THR 113 N -1.17 0.05 -1.25 2.46 -4.23 -1.26 -1.24 115.64 109.02 1mif s THR 113 Ca 0.00 -1.81 -0.16 0.00 -1.18 0.00 0.00 61.69 58.53 1mif s THR 113 Cb 0.00 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1mif s THR 113 CO 0.00 -0.25 2.15 0.49 -0.54 0.00 0.00 174.62 176.47 1mif n PHE 114 N -0.19 2.98 0.00 3.99 3.72 -1.06 -4.90 117.46 122.00 1mif n PHE 114 Ca -0.03 -2.61 0.00 0.00 -0.05 0.00 0.00 57.45 54.76 1mif n PHE 114 Cb 0.64 -2.29 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 1mif n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71