#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qif s GLU 2 N 0.00 1.70 -0.09 0.03 2.02 0.37 -4.97 118.70 117.76 2qif s GLU 2 Ca 0.00 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 53.67 2qif s GLU 2 Cb 0.00 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2qif s GLU 2 CO 0.00 0.44 -0.09 -0.65 0.02 0.00 0.00 175.26 174.98 2qif s GLN 3 N -2.41 1.54 0.03 1.61 1.11 -1.26 -1.00 119.66 119.28 2qif s GLN 3 Ca 0.19 -0.30 0.05 0.00 0.01 0.00 0.00 55.36 55.32 2qif s GLN 3 Cb -0.09 -1.48 -0.02 0.00 -1.01 0.00 0.00 33.01 30.40 2qif s GLN 3 CO 0.10 -0.16 -0.14 0.21 0.01 0.00 0.00 175.29 175.32 2qif s LYS 4 N 1.32 0.94 -0.17 2.91 2.47 -0.04 -4.98 119.74 122.18 2qif s LYS 4 Ca -0.02 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 53.63 2qif s LYS 4 Cb -0.14 -0.94 -0.02 0.00 -1.46 0.00 0.00 37.83 35.28 2qif s LYS 4 CO -0.04 0.23 -0.06 0.99 0.16 0.00 0.00 175.35 176.63 2qif s THR 5 N -0.80 3.47 -0.16 3.43 2.01 -1.26 -0.77 115.64 121.55 2qif s THR 5 Ca 0.02 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2qif s THR 5 Cb -0.08 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2qif s THR 5 CO 0.01 0.47 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.64 2qif s LEU 6 N 0.77 3.34 -0.18 4.42 1.02 0.30 -4.93 118.68 123.43 2qif s LEU 6 Ca -0.03 -0.10 -0.25 0.00 0.02 0.00 0.00 54.13 53.78 2qif s LEU 6 Cb -0.15 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 2qif s LEU 6 CO 0.02 0.17 0.83 -1.58 0.02 0.00 0.00 176.35 175.80 2qif s GLN 7 N 0.39 4.28 -0.04 1.70 2.00 -1.26 -1.19 119.66 125.54 2qif s GLN 7 Ca -0.03 1.00 0.04 0.00 -2.00 0.00 0.00 55.36 54.37 2qif s GLN 7 Cb -0.14 -3.59 -0.00 0.00 0.80 0.00 0.00 33.01 30.08 2qif s GLN 7 CO 0.02 -0.36 -0.16 0.08 -0.50 0.00 0.00 175.29 174.37 2qif s VAL 8 N 2.27 1.33 -0.10 1.34 1.01 0.51 -1.06 120.40 125.69 2qif s VAL 8 Ca 0.38 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2qif s VAL 8 Cb -0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2qif s VAL 8 CO 0.11 0.38 -0.08 -1.61 0.00 0.00 0.00 175.10 173.91 2qif s GLU 9 N 0.03 3.12 0.00 2.72 8.01 0.38 -4.60 118.70 128.36 2qif s GLU 9 Ca -0.03 -0.58 0.00 0.00 0.01 0.00 0.00 54.97 54.37 2qif s GLU 9 Cb -0.11 -2.67 0.00 0.00 -4.31 0.00 0.00 34.13 27.04 2qif s GLU 9 CO 0.02 0.45 0.00 0.41 0.01 0.00 0.00 175.26 176.15 2qif n GLY 10 N 2.87 1.16 3.73 -1.39 0.00 -1.26 -1.41 105.19 108.89 2qif n GLY 10 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2qif n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qif s MET 11 N -0.44 4.55 0.00 1.61 -1.94 -1.26 -4.93 119.30 116.89 2qif s MET 11 Ca 0.00 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 2qif s MET 11 Cb 0.00 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2qif s MET 11 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.02 173.88 2qif n SER 12 N 2.61 0.77 -3.27 3.03 3.41 -1.26 -5.03 113.62 113.88 2qif n SER 12 Ca 0.04 -0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 58.27 2qif n SER 12 Cb 0.46 0.78 0.01 0.00 -0.26 0.00 0.00 64.21 65.20 2qif n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qif h GLN 14 N 2.00 0.77 -0.71 0.00 -0.00 -1.99 -1.28 115.11 113.89 2qif h GLN 14 Ca -0.28 -0.05 0.05 0.00 -0.00 0.00 0.00 58.65 58.38 2qif h GLN 14 Cb 1.24 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.48 28.51 2qif h GLN 14 CO 0.35 0.51 0.47 0.45 -0.00 0.00 0.00 178.83 180.60 2qif h HIS 15 N 0.79 0.78 -0.38 0.06 3.86 -1.99 0.14 115.15 118.41 2qif h HIS 15 Ca 0.22 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.40 2qif h HIS 15 Cb -0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 2qif h HIS 15 CO -0.00 0.43 0.03 0.00 0.86 0.00 0.00 177.93 179.25 2qif h VAL 17 N 0.48 0.89 -0.43 0.00 2.07 -0.77 -1.39 116.25 117.11 2qif h VAL 17 Ca 0.11 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2qif h VAL 17 Cb 0.42 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2qif h VAL 17 CO 0.01 0.07 -0.14 0.50 0.02 0.00 0.00 177.57 178.03 2qif h LYS 18 N 0.39 0.80 -0.78 1.57 1.63 -0.53 0.41 116.57 120.06 2qif h LYS 18 Ca 0.22 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2qif h LYS 18 Cb 0.19 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 2qif h LYS 18 CO -0.20 0.89 0.46 0.00 -3.45 0.00 0.00 179.45 177.15 2qif h ALA 19 N 1.13 0.99 -0.27 5.00 0.00 -0.85 0.32 119.26 125.58 2qif h ALA 19 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2qif h ALA 19 Cb 0.64 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qif h ALA 19 CO 0.04 0.47 -0.29 0.28 0.00 0.00 0.00 179.25 179.76 2qif h VAL 20 N 1.07 1.31 -0.73 0.00 2.07 -0.76 -1.75 116.25 117.45 2qif h VAL 20 Ca 0.28 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 2qif h VAL 20 Cb -0.02 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qif h VAL 20 CO -0.05 0.46 0.21 -0.33 0.02 0.00 0.00 177.57 177.88 2qif h GLU 21 N 0.41 1.16 -0.26 1.57 5.08 -0.77 0.38 114.58 122.14 2qif h GLU 21 Ca 0.04 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2qif h GLU 21 Cb 0.86 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2qif h GLU 21 CO 0.07 1.00 0.04 1.15 -1.00 0.00 0.00 179.01 180.27 2qif h THR 22 N 1.10 1.23 -0.04 1.13 2.02 -0.89 0.61 112.91 118.07 2qif h THR 22 Ca 0.23 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2qif h THR 22 Cb 0.34 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2qif h THR 22 CO -0.00 0.25 -0.00 -1.28 0.37 0.00 0.00 175.52 174.85 2qif h SER 23 N 0.24 0.07 -0.46 4.18 0.87 -1.12 -2.35 113.55 114.97 2qif h SER 23 Ca 0.08 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 2qif h SER 23 Cb 0.33 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2qif h SER 23 CO 0.01 0.38 0.10 0.58 -0.53 0.00 0.00 176.83 177.36 2qif h VAL 24 N -0.25 1.23 0.00 2.23 2.07 -0.94 -2.44 116.25 118.15 2qif h VAL 24 Ca 0.01 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2qif h VAL 24 Cb 0.35 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2qif h VAL 24 CO 0.00 0.32 0.00 1.23 0.02 0.00 0.00 177.57 179.14 2qif h GLY 25 N 0.97 0.00 1.53 2.17 0.00 -0.75 -2.09 103.07 104.90 2qif h GLY 25 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2qif h GLY 25 CO 0.00 0.00 -0.12 1.18 0.00 0.00 0.00 176.54 177.60 2qif n GLU 26 N -2.33 0.19 -2.37 4.80 1.02 -0.89 -4.82 120.64 116.24 2qif n GLU 26 Ca 0.03 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 2qif n GLU 26 Cb 0.30 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2qif n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qif s LEU 27 N -2.84 4.42 0.21 -4.62 1.43 -0.79 -4.96 118.68 111.53 2qif s LEU 27 Ca 0.18 2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 55.13 2qif s LEU 27 Cb 0.19 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.69 2qif s LEU 27 CO 0.54 -0.43 1.67 -0.67 0.23 0.00 0.00 176.35 177.69 2qif n ASP 28 N 3.11 3.74 0.00 2.29 2.03 -1.26 -2.23 116.55 124.23 2qif n ASP 28 Ca 0.07 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2qif n ASP 28 Cb 0.45 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 2qif n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qif n GLY 29 N 3.56 2.78 3.76 0.27 0.00 -1.26 -4.07 105.19 110.23 2qif n GLY 29 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2qif n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qif s VAL 30 N -2.67 3.34 -0.06 1.61 1.01 -0.95 -0.79 120.40 121.89 2qif s VAL 30 Ca 0.00 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.43 2qif s VAL 30 Cb 0.00 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 2qif s VAL 30 CO 0.00 0.32 0.14 -1.54 0.00 0.00 0.00 175.10 174.01 2qif n SER 31 N 1.17 2.37 -3.54 3.32 3.41 0.50 -4.95 113.62 115.89 2qif n SER 31 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.44 2qif n SER 31 Cb 0.44 1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 65.45 2qif n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qif s ALA 32 N -2.51 -1.81 -0.10 7.33 0.00 -1.19 -4.99 121.76 118.49 2qif s ALA 32 Ca -0.05 1.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.30 2qif s ALA 32 Cb 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2qif s ALA 32 CO 0.46 -0.35 0.23 0.54 0.00 0.00 0.00 175.76 176.63 2qif s VAL 33 N -1.05 -0.08 0.06 0.00 0.11 -1.26 -1.38 120.40 116.79 2qif s VAL 33 Ca -0.08 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2qif s VAL 33 Cb -0.01 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 2qif s VAL 33 CO 0.07 0.07 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.86 2qif s HIS 34 N 1.39 0.62 -0.03 1.54 3.76 -0.73 -4.95 115.29 116.89 2qif s HIS 34 Ca -0.08 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.13 2qif s HIS 34 Cb -0.11 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 2qif s HIS 34 CO -0.08 -0.19 -0.18 0.08 -0.85 0.00 0.00 174.74 173.52 2qif s VAL 35 N -2.60 1.45 -0.53 -0.90 1.01 -1.26 -1.10 120.40 116.47 2qif s VAL 35 Ca -0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 2qif s VAL 35 Cb -0.02 -1.23 0.12 0.00 0.00 0.00 0.00 36.38 35.26 2qif s VAL 35 CO -0.04 0.41 0.48 0.21 0.00 0.00 0.00 175.10 176.17 2qif s ASN 36 N -0.14 6.16 0.17 3.32 3.84 0.18 -4.96 114.94 123.51 2qif s ASN 36 Ca 0.00 -1.75 -0.11 0.00 0.21 0.00 0.00 52.86 51.21 2qif s ASN 36 Cb -0.10 -2.20 0.06 0.00 -0.55 0.00 0.00 41.25 38.46 2qif s ASN 36 CO 0.01 -0.83 1.66 0.25 -2.79 0.00 0.00 177.10 175.39 2qif h LEU 37 N 8.86 0.92 -1.17 3.21 5.85 -1.97 -0.68 115.31 130.32 2qif h LEU 37 Ca -0.29 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2qif h LEU 37 Cb 1.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2qif h LEU 37 CO 1.02 0.95 0.40 -0.33 -0.34 0.00 0.00 178.44 180.14 2qif h GLU 38 N 0.85 0.97 -0.00 1.25 3.07 -1.96 -2.36 114.58 116.39 2qif h GLU 38 Ca 0.17 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2qif h GLU 38 Cb 0.43 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2qif h GLU 38 CO 0.01 0.70 -0.58 0.00 -1.40 0.00 0.00 179.01 177.74 2qif n ALA 39 N -2.43 3.78 -3.33 3.43 0.00 -1.13 -4.96 120.51 115.87 2qif n ALA 39 Ca 0.07 -0.45 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 2qif n ALA 39 Cb 0.09 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.59 2qif n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qif n GLY 40 N 1.47 -0.41 3.53 0.00 0.00 -0.32 -4.88 105.19 104.59 2qif n GLY 40 Ca 0.07 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2qif n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qif s LYS 41 N -6.01 3.48 -0.23 1.61 -0.14 -0.88 -0.36 119.74 117.21 2qif s LYS 41 Ca 0.46 -0.51 -0.03 0.00 -1.36 0.00 0.00 55.97 54.53 2qif s LYS 41 Cb -0.20 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.10 2qif s LYS 41 CO 0.56 0.35 -0.06 0.08 -0.76 0.00 0.00 175.35 175.52 2qif s VAL 42 N 0.08 3.05 -0.25 3.17 1.01 -0.33 -0.65 120.40 126.48 2qif s VAL 42 Ca -0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2qif s VAL 42 Cb -0.13 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2qif s VAL 42 CO 0.03 0.31 0.15 -0.62 0.00 0.00 0.00 175.10 174.96 2qif s ASP 43 N 1.39 5.89 -0.03 3.32 2.15 -0.26 -0.54 116.67 128.59 2qif s ASP 43 Ca 0.03 0.02 0.03 0.00 0.43 0.00 0.00 52.55 53.06 2qif s ASP 43 Cb -0.15 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2qif s ASP 43 CO -0.04 0.02 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.17 2qif s VAL 44 N 1.31 0.98 -0.05 1.11 1.01 0.05 -1.78 120.40 123.02 2qif s VAL 44 Ca 0.07 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2qif s VAL 44 Cb -0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2qif s VAL 44 CO 0.06 0.30 -0.17 -0.94 0.00 0.00 0.00 175.10 174.35 2qif s SER 45 N 0.17 3.82 0.11 3.32 1.04 -0.48 -0.86 113.70 120.82 2qif s SER 45 Ca -0.04 -0.27 -0.25 0.00 0.48 0.00 0.00 55.95 55.88 2qif s SER 45 Cb -0.10 -0.82 0.08 0.00 0.10 0.00 0.00 66.02 65.28 2qif s SER 45 CO 0.01 0.32 0.68 0.72 0.98 0.00 0.00 173.24 175.95 2qif s PHE 46 N -0.60 -0.49 -0.52 5.02 -0.71 -0.17 -0.37 117.98 120.14 2qif s PHE 46 Ca 0.09 0.31 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 2qif s PHE 46 Cb -0.11 0.55 0.04 0.00 -1.21 0.00 0.00 43.02 42.29 2qif s PHE 46 CO 0.01 -0.76 0.87 0.34 -1.34 0.00 0.00 175.22 174.33 2qif s ASP 47 N -2.66 6.35 0.00 1.98 -1.08 0.03 -0.48 116.67 120.81 2qif s ASP 47 Ca 0.02 -0.34 0.12 0.00 -0.52 0.00 0.00 52.55 51.83 2qif s ASP 47 Cb -0.01 -2.41 0.53 0.00 -1.46 0.00 0.00 42.92 39.58 2qif s ASP 47 CO -0.12 -1.11 1.39 0.00 0.52 0.00 0.00 175.17 175.85 2qif n ALA 48 N 7.12 1.58 0.41 3.66 0.00 -1.26 -1.36 120.51 130.66 2qif n ALA 48 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2qif n ALA 48 Cb 0.47 -1.20 0.49 0.00 0.00 0.00 0.00 19.45 19.22 2qif n ALA 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qif h ASP 49 N 0.00 0.00 0.00 0.00 3.32 -1.98 -3.35 116.42 114.41 2qif h ASP 49 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2qif h ASP 49 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qif h ASP 49 CO 0.00 0.00 -1.20 0.29 -1.72 0.00 0.00 179.24 176.61 2qif n LYS 50 N -2.50 1.23 -3.75 3.56 5.02 -0.46 -5.04 118.16 116.23 2qif n LYS 50 Ca 0.03 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2qif n LYS 50 Cb 0.31 -1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 34.14 2qif n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qif s VAL 51 N -2.21 0.04 0.27 -0.18 0.11 -0.92 -4.80 120.40 112.72 2qif s VAL 51 Ca -0.02 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.82 2qif s VAL 51 Cb 0.02 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2qif s VAL 51 CO 0.16 -0.16 0.14 -0.94 -3.33 0.00 0.00 175.10 170.96 2qif s SER 52 N -0.80 5.10 0.45 3.54 1.04 -1.26 -4.12 113.70 117.65 2qif s SER 52 Ca -0.09 -0.46 0.20 0.00 0.48 0.00 0.00 55.95 56.09 2qif s SER 52 Cb -0.04 -1.11 1.05 0.00 0.10 0.00 0.00 66.02 66.02 2qif s SER 52 CO 0.03 -0.09 1.94 1.62 0.98 0.00 0.00 173.24 177.72 2qif h VAL 53 N 1.59 0.89 -0.42 5.02 3.04 -1.99 -1.94 116.25 122.44 2qif h VAL 53 Ca -0.46 -0.91 -0.10 0.00 -1.01 0.00 0.00 66.70 64.21 2qif h VAL 53 Cb 1.25 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 32.04 2qif h VAL 53 CO 0.61 0.23 -0.15 0.50 -1.01 0.00 0.00 177.57 177.74 2qif h LYS 54 N 0.00 0.78 -0.65 4.17 3.64 -1.99 0.06 116.57 122.59 2qif h LYS 54 Ca -0.00 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2qif h LYS 54 Cb 0.52 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2qif h LYS 54 CO 0.03 0.89 0.38 -0.44 -2.27 0.00 0.00 179.45 178.05 2qif h ASP 55 N 0.70 0.60 -0.24 4.20 3.32 -1.77 0.11 116.42 123.34 2qif h ASP 55 Ca 0.11 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2qif h ASP 55 Cb 0.65 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2qif h ASP 55 CO 0.05 0.41 0.08 0.40 -1.72 0.00 0.00 179.24 178.45 2qif h ILE 56 N 0.74 1.19 -0.89 0.35 2.04 -1.17 -0.64 117.51 119.12 2qif h ILE 56 Ca 0.27 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2qif h ILE 56 Cb 0.09 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2qif h ILE 56 CO -0.14 0.19 0.49 0.00 0.00 0.00 0.00 178.15 178.70 2qif h ALA 57 N 0.91 1.19 -0.44 1.87 0.00 -0.62 -1.85 119.26 120.31 2qif h ALA 57 Ca 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2qif h ALA 57 Cb 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qif h ALA 57 CO -0.00 0.66 -0.09 -0.44 0.00 0.00 0.00 179.25 179.38 2qif h ASP 58 N 1.25 0.77 -0.73 0.00 3.32 -0.59 -0.44 116.42 120.01 2qif h ASP 58 Ca 0.31 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2qif h ASP 58 Cb 0.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2qif h ASP 58 CO -0.05 0.89 0.34 0.00 -1.72 0.00 0.00 179.24 178.70 2qif h ALA 59 N 1.18 1.20 -0.32 3.45 0.00 -0.63 0.70 119.26 124.84 2qif h ALA 59 Ca 0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2qif h ALA 59 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2qif h ALA 59 CO 0.03 0.60 -0.17 0.82 0.00 0.00 0.00 179.25 180.54 2qif h ILE 60 N 1.06 1.29 0.00 0.00 2.04 -0.87 -2.98 117.51 118.05 2qif h ILE 60 Ca 0.26 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 2qif h ILE 60 Cb 0.14 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2qif h ILE 60 CO -0.03 0.41 -0.38 -0.33 0.00 0.00 0.00 178.15 177.82 2qif h GLU 61 N 0.44 0.00 0.00 2.37 5.08 -0.87 -1.16 114.58 120.44 2qif h GLU 61 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qif h GLU 61 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2qif h GLU 61 CO 0.05 0.38 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.99 2qif h ASP 62 N 0.00 0.00 0.02 1.42 3.32 -0.71 -0.85 116.42 119.62 2qif h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qif h ASP 62 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2qif h ASP 62 CO 0.05 0.01 -0.03 0.00 -1.72 0.00 0.00 179.24 177.55 2qif n GLN 63 N -3.15 1.50 0.00 3.56 1.13 -0.45 -4.93 117.38 115.04 2qif n GLN 63 Ca -0.02 -0.82 0.00 0.00 -1.94 0.00 0.00 57.00 54.22 2qif n GLN 63 Cb 0.15 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2qif n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qif n GLY 64 N 1.18 0.77 3.91 1.08 0.00 -0.32 -5.08 105.19 106.74 2qif n GLY 64 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2qif n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qif s TYR 65 N -2.00 3.41 -0.07 1.61 2.02 -1.15 -4.98 117.35 116.20 2qif s TYR 65 Ca 0.00 0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.69 2qif s TYR 65 Cb 0.00 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2qif s TYR 65 CO 0.00 0.52 0.25 0.34 -1.57 0.00 0.00 175.55 175.08 2qif s ASP 66 N -3.21 6.56 -0.19 2.29 2.15 -0.50 -3.79 116.67 119.98 2qif s ASP 66 Ca 0.34 0.67 -0.05 0.00 0.43 0.00 0.00 52.55 53.94 2qif s ASP 66 Cb -0.11 -2.14 -0.02 0.00 -0.30 0.00 0.00 42.92 40.35 2qif s ASP 66 CO 0.27 0.38 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.95 2qif s VAL 67 N -1.05 3.91 0.27 1.11 1.01 -1.26 -0.47 120.40 123.92 2qif s VAL 67 Ca 0.18 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2qif s VAL 67 Cb -0.14 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 2qif s VAL 67 CO 0.08 0.45 1.64 0.00 0.00 0.00 0.00 175.10 177.26 2qif s ALA 68 N 0.82 3.80 0.00 5.51 0.00 -0.23 -5.02 121.76 126.65 2qif s ALA 68 Ca -0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2qif s ALA 68 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2qif s ALA 68 CO 0.02 -0.98 0.00 0.36 0.00 0.00 0.00 175.76 175.16