#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif s GLU 20 N 0.00 4.25 0.00 -1.58 2.12 -1.26 -4.88 118.70 117.35 3kif s GLU 20 Ca 0.00 1.88 0.05 0.00 0.36 0.00 0.00 54.97 57.26 3kif s GLU 20 Cb 0.00 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.65 3kif s GLU 20 CO 0.00 -0.67 0.47 0.44 -0.54 0.00 0.00 175.26 174.95 3kif n ILE 21 N 5.11 0.00 -3.63 -3.70 -5.35 -1.26 -5.04 119.36 105.48 3kif n ILE 21 Ca 0.14 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 62.03 3kif n ILE 21 Cb 0.44 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 3kif n ILE 21 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kif s GLY 22 N -0.92 -0.49 0.00 3.28 0.00 -1.26 -4.70 107.32 103.22 3kif s GLY 22 Ca 0.04 1.69 0.00 0.00 0.00 0.00 0.00 44.72 46.46 3kif s GLY 22 CO 0.13 1.42 0.00 -2.01 0.00 0.00 0.00 173.10 172.64 3kif n ASN 23 N 2.37 0.00 -4.83 1.64 4.05 -1.26 -4.98 115.26 112.25 3kif n ASN 23 Ca -0.15 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.55 3kif n ASN 23 Cb 0.56 -0.08 -0.07 0.00 1.23 0.00 0.00 39.78 41.42 3kif n ASN 23 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3kif s GLY 24 N -2.67 2.40 0.00 8.20 0.00 -1.26 -4.57 107.32 109.43 3kif s GLY 24 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 3kif s GLY 24 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.25 3kif n GLY 25 N -0.43 1.51 0.14 0.20 0.00 -1.26 -4.90 105.19 100.44 3kif n GLY 25 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3kif n GLY 25 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kif n TRP 26 N -2.00 0.68 0.62 1.61 7.02 -1.26 -1.48 117.44 122.63 3kif n TRP 26 Ca 0.00 0.33 0.11 0.00 -1.02 0.00 0.00 57.50 56.92 3kif n TRP 26 Cb 0.00 -1.03 0.02 0.00 -2.42 0.00 0.00 31.31 27.88 3kif n TRP 26 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3kif n ASP 27 N -2.18 0.62 -0.34 -0.99 3.85 -1.26 -4.18 116.55 112.08 3kif n ASP 27 Ca -0.00 -0.29 0.25 0.00 -0.71 0.00 0.00 54.79 54.04 3kif n ASP 27 Cb 0.08 0.82 0.49 0.00 -1.35 0.00 0.00 41.12 41.17 3kif n ASP 27 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 3kif h GLN 28 N 0.00 0.30 -7.07 0.11 3.07 -1.68 -3.45 115.11 106.40 3kif h GLN 28 Ca 0.00 -0.02 -0.55 0.00 0.09 0.00 0.00 58.65 58.17 3kif h GLN 28 Cb 0.70 -0.07 0.14 0.00 0.08 0.00 0.00 27.48 28.33 3kif h GLN 28 CO 0.00 0.20 0.57 -0.06 0.09 0.00 0.00 178.83 179.63 3kif s PHE 29 N -5.62 2.22 -0.02 0.06 0.40 -1.26 -4.85 117.98 108.91 3kif s PHE 29 Ca -0.10 1.42 0.06 0.00 -0.60 0.00 0.00 56.93 57.71 3kif s PHE 29 Cb 0.30 -3.75 -0.24 0.00 0.51 0.00 0.00 43.02 39.84 3kif s PHE 29 CO 0.79 -2.87 0.77 1.96 0.70 0.00 0.00 175.22 176.57 3kif h GLN 30 N 1.10 0.08 -3.64 0.44 1.08 -0.84 -3.47 115.11 109.86 3kif h GLN 30 Ca -0.51 -0.14 -0.17 0.00 -1.45 0.00 0.00 58.65 56.38 3kif h GLN 30 Cb 1.31 0.05 -0.22 0.00 -0.05 0.00 0.00 27.48 28.57 3kif h GLN 30 CO 0.56 0.79 -0.57 -0.06 -0.95 0.00 0.00 178.83 178.59 3kif s PHE 31 N -2.62 0.07 -0.30 2.96 0.40 -1.24 -4.98 117.98 112.27 3kif s PHE 31 Ca -0.07 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 3kif s PHE 31 Cb 0.08 -0.07 0.20 0.00 0.51 0.00 0.00 43.02 43.74 3kif s PHE 31 CO 0.82 -0.21 0.64 -1.17 0.70 0.00 0.00 175.22 176.01 3kif s LEU 32 N -1.07 -1.51 0.17 -0.37 2.96 -1.25 -1.75 118.68 115.86 3kif s LEU 32 Ca -0.12 0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.77 3kif s LEU 32 Cb -0.07 1.95 0.02 0.00 0.50 0.00 0.00 46.19 48.60 3kif s LEU 32 CO 0.01 -0.27 0.45 0.72 -1.32 0.00 0.00 176.35 175.93 3kif s PHE 33 N 2.79 -0.05 0.09 5.38 -0.71 -0.98 -4.99 117.98 119.52 3kif s PHE 33 Ca 0.12 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 3kif s PHE 33 Cb -0.09 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 3kif s PHE 33 CO -0.25 -0.82 0.37 -0.06 -1.34 0.00 0.00 175.22 173.11 3kif s PHE 34 N -3.87 3.53 1.02 3.49 0.08 -1.26 -0.66 117.98 120.31 3kif s PHE 34 Ca 0.09 0.65 -0.18 0.00 0.12 0.00 0.00 56.93 57.60 3kif s PHE 34 Cb 0.01 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3kif s PHE 34 CO -0.05 0.50 -0.37 -0.25 -0.10 0.00 0.00 175.22 174.95 3kif n ASP 35 N 0.58 -3.22 0.22 1.36 9.92 0.45 -4.94 116.55 120.92 3kif n ASP 35 Ca -0.06 0.10 0.15 0.00 -0.53 0.00 0.00 54.79 54.45 3kif n ASP 35 Cb 0.52 -0.89 0.69 0.00 -0.64 0.00 0.00 41.12 40.80 3kif n ASP 35 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3kif h PRO 36 N -1.48 0.00 -0.38 -0.24 0.11 -2.00 -3.00 132.00 125.02 3kif h PRO 36 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kif h PRO 36 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3kif h PRO 36 CO 0.30 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.18 3kif n ASN 37 N -2.66 3.19 0.00 -2.05 3.02 -1.26 -4.97 115.26 110.53 3kif n ASN 37 Ca 0.00 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3kif n ASN 37 Cb 0.19 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3kif n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kif n GLY 38 N 1.15 0.82 3.78 7.41 0.00 -1.13 -5.06 105.19 112.15 3kif n GLY 38 Ca 0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3kif n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kif s TYR 39 N -2.00 3.90 -0.15 1.61 2.02 -1.26 -4.48 117.35 116.99 3kif s TYR 39 Ca 0.00 1.61 -0.15 0.00 -0.37 0.00 0.00 57.07 58.16 3kif s TYR 39 Cb 0.00 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 3kif s TYR 39 CO 0.00 0.51 0.35 -1.17 -1.57 0.00 0.00 175.55 173.67 3kif s LEU 40 N -1.08 4.26 0.07 -1.29 2.96 0.12 -0.41 118.68 123.30 3kif s LEU 40 Ca 0.36 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 3kif s LEU 40 Cb -0.23 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3kif s LEU 40 CO 0.26 0.07 0.04 -0.31 -1.32 0.00 0.00 176.35 175.09 3kif s TYR 41 N 0.50 3.11 -0.12 5.38 1.51 0.16 -1.91 117.35 125.97 3kif s TYR 41 Ca 0.19 0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 56.21 3kif s TYR 41 Cb -0.14 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 3kif s TYR 41 CO 0.06 0.50 0.31 0.00 -1.11 0.00 0.00 175.55 175.32 3kif s ALA 42 N -1.33 -0.77 -0.20 3.71 0.00 -0.02 -2.31 121.76 120.84 3kif s ALA 42 Ca 0.27 1.02 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 3kif s ALA 42 Cb -0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3kif s ALA 42 CO 0.19 -0.18 -0.06 0.08 0.00 0.00 0.00 175.76 175.79 3kif s VAL 43 N 0.63 3.31 -0.11 0.00 1.01 -0.72 -0.61 120.40 123.92 3kif s VAL 43 Ca -0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3kif s VAL 43 Cb -0.05 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.88 3kif s VAL 43 CO -0.04 0.44 0.26 -0.55 0.00 0.00 0.00 175.10 175.22 3kif s SER 44 N 1.28 -0.29 -1.53 3.32 0.15 -0.58 -0.13 113.70 115.92 3kif s SER 44 Ca 0.03 0.56 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 3kif s SER 44 Cb -0.14 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 3kif s SER 44 CO -0.02 -0.15 0.93 0.59 1.20 0.00 0.00 173.24 175.78 3kif n ASN 45 N 3.93 -4.77 -0.14 5.45 3.02 -1.26 -0.96 115.26 120.53 3kif n ASN 45 Ca -0.22 -0.74 -0.02 0.00 -0.03 0.00 0.00 54.58 53.57 3kif n ASN 45 Cb 0.54 -3.81 -0.01 0.00 -0.61 0.00 0.00 39.78 35.89 3kif n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kif n ASP 46 N -2.77 -4.34 -4.55 6.41 2.03 -1.26 -5.01 116.55 107.05 3kif n ASP 46 Ca 0.04 0.05 -0.24 0.00 0.52 0.00 0.00 54.79 55.15 3kif n ASP 46 Cb 0.53 -2.01 -0.09 0.00 -0.72 0.00 0.00 41.12 38.83 3kif n ASP 46 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kif s LYS 47 N -1.29 1.98 -0.10 -0.67 1.02 -0.13 -5.14 119.74 115.42 3kif s LYS 47 Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 54.48 3kif s LYS 47 Cb 0.00 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 3kif s LYS 47 CO 0.00 0.36 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.42 3kif s LEU 48 N -3.44 2.30 0.08 3.17 0.20 -1.26 -1.53 118.68 118.20 3kif s LEU 48 Ca 0.29 -0.46 0.08 0.00 0.69 0.00 0.00 54.13 54.73 3kif s LEU 48 Cb -0.06 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 3kif s LEU 48 CO 0.17 0.19 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.90 3kif s TYR 49 N 0.17 1.81 -0.06 5.38 1.51 0.22 -4.96 117.35 121.42 3kif s TYR 49 Ca -0.12 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 3kif s TYR 49 Cb -0.16 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3kif s TYR 49 CO 0.06 0.15 -0.02 0.21 -1.11 0.00 0.00 175.55 174.85 3kif s LYS 50 N -1.57 0.75 0.28 -0.62 2.20 -1.26 -0.84 119.74 118.68 3kif s LYS 50 Ca 0.07 0.01 -0.20 0.00 -0.36 0.00 0.00 55.97 55.48 3kif s LYS 50 Cb -0.09 -0.97 0.02 0.00 -1.51 0.00 0.00 37.83 35.28 3kif s LYS 50 CO 0.03 -0.22 0.71 0.00 -0.36 0.00 0.00 175.35 175.50 3kif s ALA 51 N 1.58 -1.16 0.53 3.13 0.00 -0.80 -5.00 121.76 120.03 3kif s ALA 51 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 3kif s ALA 51 Cb -0.13 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 3kif s ALA 51 CO -0.04 -1.03 1.31 0.45 0.00 0.00 0.00 175.76 176.46 3kif s SER 52 N -2.93 5.48 0.77 0.00 0.15 -1.26 0.12 113.70 116.03 3kif s SER 52 Ca 0.12 2.66 -0.11 0.00 0.70 0.00 0.00 55.95 59.32 3kif s SER 52 Cb -0.06 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 3kif s SER 52 CO 0.07 -1.42 1.08 -2.16 1.20 0.00 0.00 173.24 172.01 3kif s PRO 53 N -2.86 2.32 0.30 5.44 0.04 -1.26 -4.79 135.00 134.19 3kif s PRO 53 Ca 0.70 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 3kif s PRO 53 Cb -0.38 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3kif s PRO 53 CO 0.45 -1.53 0.98 -1.25 0.04 0.00 0.00 177.00 175.68 3kif s PRO 54 N -5.02 4.63 -0.86 0.56 0.04 -1.26 -3.76 135.00 129.33 3kif s PRO 54 Ca 0.60 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 3kif s PRO 54 Cb -0.15 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.43 3kif s PRO 54 CO 0.55 0.29 0.75 1.04 0.04 0.00 0.00 177.00 179.68 3kif n GLN 55 N 0.85 -5.04 -1.38 4.56 6.02 -1.26 -4.88 117.38 116.25 3kif n GLN 55 Ca 0.01 0.54 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 3kif n GLN 55 Cb 0.48 -4.68 0.08 0.00 1.02 0.00 0.00 30.24 27.14 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3kif s SER 56 N -3.29 4.68 0.27 1.08 1.04 -1.25 -5.00 113.70 111.24 3kif s SER 56 Ca 0.33 1.84 0.11 0.00 0.48 0.00 0.00 55.95 58.72 3kif s SER 56 Cb -0.15 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 3kif s SER 56 CO 0.47 -1.92 -0.14 -1.81 0.98 0.00 0.00 173.24 170.83 3kif s ASP 57 N -3.26 3.90 0.19 7.02 1.01 -1.26 -5.10 116.67 119.16 3kif s ASP 57 Ca 0.62 -0.89 -0.31 0.00 0.71 0.00 0.00 52.55 52.68 3kif s ASP 57 Cb -0.18 -0.48 -0.10 0.00 1.01 0.00 0.00 42.92 43.18 3kif s ASP 57 CO 0.53 0.03 1.49 -0.89 0.21 0.00 0.00 175.17 176.54 3kif s THR 58 N -2.41 2.77 0.14 -1.27 2.01 -1.26 -4.98 115.64 110.64 3kif s THR 58 Ca 0.30 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.77 3kif s THR 58 Cb -0.06 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 3kif s THR 58 CO 0.16 0.06 1.50 -0.78 -0.69 0.00 0.00 174.62 174.87 3kif h ASP 59 N 6.17 0.97 -6.01 3.53 3.58 -2.06 -3.49 116.42 119.10 3kif h ASP 59 Ca -0.44 -0.44 -0.23 0.00 0.42 0.00 0.00 57.03 56.35 3kif h ASP 59 Cb 1.21 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.99 3kif h ASP 59 CO 0.86 1.20 -0.72 -3.20 -2.88 0.00 0.00 179.24 174.50 3kif n ASN 60 N -4.12 -6.48 -0.24 2.28 5.15 -1.26 -4.88 115.26 105.70 3kif n ASN 60 Ca -0.02 -0.18 -0.05 0.00 -0.60 0.00 0.00 54.58 53.73 3kif n ASN 60 Cb 0.50 -3.45 0.11 0.00 -0.53 0.00 0.00 39.78 36.40 3kif n ASN 60 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3kif h TRP 61 N 1.05 1.10 -0.50 1.20 7.01 -1.99 -2.98 115.95 120.84 3kif h TRP 61 Ca -0.31 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.57 3kif h TRP 61 Cb 1.21 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 3kif h TRP 61 CO 0.13 0.86 0.22 0.97 -2.79 0.00 0.00 178.44 177.83 3kif h ILE 62 N 1.05 1.18 0.00 2.65 2.10 -1.97 -1.86 117.51 120.66 3kif h ILE 62 Ca 0.24 -0.53 -0.00 0.00 1.08 0.00 0.00 64.86 65.64 3kif h ILE 62 Cb 0.25 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3kif h ILE 62 CO -0.01 0.21 -0.01 0.00 -1.08 0.00 0.00 178.15 177.26 3kif h ALA 63 N 1.53 1.34 -0.22 0.18 0.00 -1.87 -2.86 119.26 117.36 3kif h ALA 63 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kif h ALA 63 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kif h ALA 63 CO -0.02 0.01 0.00 2.89 0.00 0.00 0.00 179.25 182.13 3kif n ARG 64 N -3.60 2.55 -2.86 0.00 1.85 -0.73 -5.03 116.66 108.84 3kif n ARG 64 Ca -0.03 -1.78 -0.27 0.00 -1.00 0.00 0.00 57.85 54.77 3kif n ARG 64 Cb 0.09 -1.19 -0.01 0.00 -1.05 0.00 0.00 32.46 30.31 3kif n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kif s ALA 65 N -0.96 3.49 -0.16 2.89 0.00 -1.00 -5.02 121.76 121.00 3kif s ALA 65 Ca 0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3kif s ALA 65 Cb 0.08 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 3kif s ALA 65 CO 0.11 -0.23 0.91 0.99 0.00 0.00 0.00 175.76 177.54 3kif s THR 66 N -2.60 4.83 0.03 0.00 2.01 -1.26 -5.02 115.64 113.64 3kif s THR 66 Ca 0.45 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.95 3kif s THR 66 Cb -0.10 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3kif s THR 66 CO 0.42 -0.00 1.04 -0.70 -0.69 0.00 0.00 174.62 174.68 3kif s GLU 67 N 2.22 4.54 0.00 4.92 2.12 -1.26 -4.91 118.70 126.33 3kif s GLU 67 Ca 0.42 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.27 3kif s GLU 67 Cb -0.17 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.81 3kif s GLU 67 CO 0.13 -0.07 0.16 0.44 -0.54 0.00 0.00 175.26 175.38 3kif n ILE 68 N 3.73 0.00 -3.59 -3.70 -5.35 -1.26 -4.42 119.36 104.77 3kif n ILE 68 Ca 0.06 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 61.99 3kif n ILE 68 Cb 0.49 1.05 -0.04 0.00 -1.74 0.00 0.00 39.64 39.40 3kif n ILE 68 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kif s GLY 69 N -0.55 -0.35 0.00 3.28 0.00 -1.26 -3.68 107.32 104.76 3kif s GLY 69 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3kif s GLY 69 CO 0.00 -0.11 0.00 -1.26 0.00 0.00 0.00 173.10 171.73 3kif n SER 70 N -0.09 0.22 -3.89 1.64 2.88 -1.26 -5.04 113.62 108.08 3kif n SER 70 Ca -0.17 -0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.17 3kif n SER 70 Cb 0.63 0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 64.15 3kif n SER 70 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3kif s GLY 71 N -0.24 0.05 0.00 0.46 0.00 -1.26 -4.89 107.32 101.44 3kif s GLY 71 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3kif s GLY 71 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.62 3kif n GLY 72 N 2.91 0.33 0.37 0.20 0.00 -1.26 -4.91 105.19 102.83 3kif n GLY 72 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3kif n GLY 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kif h TRP 73 N 0.00 0.82 0.00 1.61 4.06 -1.96 -0.06 115.95 120.42 3kif h TRP 73 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3kif h TRP 73 Cb 0.36 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3kif h TRP 73 CO 0.23 0.31 0.00 0.43 -3.56 0.00 0.00 178.44 175.84 3kif n SER 74 N -4.56 0.00 0.03 -3.49 7.64 -1.26 -3.28 113.62 108.71 3kif n SER 74 Ca 0.17 -0.53 0.13 0.00 1.01 0.00 0.00 58.87 59.65 3kif n SER 74 Cb 0.46 -0.04 0.53 0.00 -1.01 0.00 0.00 64.21 64.15 3kif n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kif n GLY 75 N 0.27 -1.51 3.77 0.23 0.00 -0.03 -4.81 105.19 103.11 3kif n GLY 75 Ca 0.14 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3kif n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kif s PHE 76 N -3.04 3.65 0.07 1.61 0.08 -1.20 -4.73 117.98 114.41 3kif s PHE 76 Ca 0.12 1.76 -0.14 0.00 0.12 0.00 0.00 56.93 58.80 3kif s PHE 76 Cb 0.16 -3.10 -0.26 0.00 -0.57 0.00 0.00 43.02 39.25 3kif s PHE 76 CO 0.52 -0.15 1.15 -0.22 -0.10 0.00 0.00 175.22 176.42 3kif h LYS 77 N 3.51 0.65 -4.76 0.44 3.64 -0.92 -3.47 116.57 115.66 3kif h LYS 77 Ca -0.47 -0.79 -0.28 0.00 -1.27 0.00 0.00 60.65 57.85 3kif h LYS 77 Cb 1.21 0.24 -0.18 0.00 -0.41 0.00 0.00 32.23 33.09 3kif h LYS 77 CO 0.66 1.35 -0.72 -0.06 -2.27 0.00 0.00 179.45 178.40 3kif s PHE 78 N -3.14 0.90 -0.30 1.91 0.08 -1.22 -4.96 117.98 111.25 3kif s PHE 78 Ca -0.09 -0.70 -0.10 0.00 0.12 0.00 0.00 56.93 56.16 3kif s PHE 78 Cb 0.06 -0.51 0.17 0.00 -0.57 0.00 0.00 43.02 42.17 3kif s PHE 78 CO 0.93 -0.07 0.85 -1.17 -0.10 0.00 0.00 175.22 175.65 3kif s LEU 79 N -2.40 -0.85 -0.07 -0.37 0.20 -1.25 -0.84 118.68 113.10 3kif s LEU 79 Ca 0.03 0.81 -0.31 0.00 0.69 0.00 0.00 54.13 55.35 3kif s LEU 79 Cb -0.02 1.83 0.11 0.00 -0.43 0.00 0.00 46.19 47.68 3kif s LEU 79 CO -0.01 -0.16 0.99 0.72 -0.29 0.00 0.00 176.35 177.59 3kif s PHE 80 N 2.76 -0.28 -0.06 5.38 -0.71 -0.11 -4.99 117.98 119.97 3kif s PHE 80 Ca 0.04 0.19 -0.02 0.00 -1.04 0.00 0.00 56.93 56.09 3kif s PHE 80 Cb -0.10 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3kif s PHE 80 CO -0.17 -0.43 0.06 -0.06 -1.34 0.00 0.00 175.22 173.28 3kif s PHE 81 N -2.81 3.31 0.39 3.49 0.08 -1.26 -0.02 117.98 121.15 3kif s PHE 81 Ca 0.06 0.28 -0.23 0.00 0.12 0.00 0.00 56.93 57.15 3kif s PHE 81 Cb -0.01 -1.80 -0.10 0.00 -0.57 0.00 0.00 43.02 40.53 3kif s PHE 81 CO -0.07 0.56 0.96 -1.58 -0.10 0.00 0.00 175.22 174.99 3kif s HIS 82 N -1.03 3.44 0.52 0.36 5.65 0.65 -4.93 115.29 119.94 3kif s HIS 82 Ca 0.17 1.68 0.20 0.00 0.25 0.00 0.00 55.06 57.36 3kif s HIS 82 Cb -0.12 -2.91 1.08 0.00 -1.18 0.00 0.00 32.58 29.45 3kif s HIS 82 CO 0.07 -0.07 1.58 -1.35 -0.65 0.00 0.00 174.74 174.32 3kif h PRO 83 N 2.43 0.00 -1.03 2.88 0.11 -1.99 0.34 132.00 134.73 3kif h PRO 83 Ca -0.48 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.92 3kif h PRO 83 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3kif h PRO 83 CO 0.63 0.00 0.72 -0.91 -0.21 0.00 0.00 178.00 178.23 3kif h ASN 84 N 0.00 0.12 0.00 -2.05 2.35 -2.04 -3.46 115.58 110.50 3kif h ASN 84 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3kif h ASN 84 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3kif h ASN 84 CO 0.00 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 3kif n GLY 85 N -1.67 0.94 3.73 2.83 0.00 0.12 -5.05 105.19 106.09 3kif n GLY 85 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3kif n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kif s TYR 86 N -2.48 3.52 -0.51 1.61 2.02 -1.25 -4.50 117.35 115.76 3kif s TYR 86 Ca 0.00 1.50 -0.25 0.00 -0.37 0.00 0.00 57.07 57.96 3kif s TYR 86 Cb 0.00 -3.34 0.03 0.00 -0.40 0.00 0.00 41.96 38.25 3kif s TYR 86 CO 0.00 -0.88 0.93 -1.17 -1.57 0.00 0.00 175.55 172.86 3kif s LEU 87 N -0.11 4.06 0.13 -1.29 2.96 -0.57 -0.26 118.68 123.60 3kif s LEU 87 Ca 0.52 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.16 3kif s LEU 87 Cb -0.30 -3.00 -0.07 0.00 0.50 0.00 0.00 46.19 43.32 3kif s LEU 87 CO 0.35 -1.13 0.53 -0.31 -1.32 0.00 0.00 176.35 174.46 3kif s TYR 88 N 3.83 3.61 -0.17 5.38 2.02 0.97 -2.78 117.35 130.22 3kif s TYR 88 Ca 0.33 1.02 -0.11 0.00 -0.37 0.00 0.00 57.07 57.95 3kif s TYR 88 Cb -0.11 -2.34 0.05 0.00 -0.40 0.00 0.00 41.96 39.16 3kif s TYR 88 CO 0.23 0.45 0.42 0.00 -1.57 0.00 0.00 175.55 175.07 3kif s ALA 89 N -1.44 -1.06 -0.18 3.71 0.00 0.00 -0.94 121.76 121.85 3kif s ALA 89 Ca 0.37 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.72 3kif s ALA 89 Cb -0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3kif s ALA 89 CO 0.19 -0.25 -0.00 0.14 0.00 0.00 0.00 175.76 175.84 3kif s VAL 90 N 1.06 4.07 -0.17 0.00 -7.23 -0.02 -0.42 120.40 117.69 3kif s VAL 90 Ca -0.07 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3kif s VAL 90 Cb -0.07 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.09 3kif s VAL 90 CO -0.09 0.46 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.48 3kif s ARG 91 N 0.64 1.76 0.00 4.82 3.52 -1.02 -0.23 118.95 128.44 3kif s ARG 91 Ca -0.01 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 3kif s ARG 91 Cb -0.14 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 3kif s ARG 91 CO 0.02 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 3kif n GLY 92 N 4.79 0.00 2.42 8.12 0.00 -1.26 -2.39 105.19 116.87 3kif n GLY 92 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kif n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kif n GLN 93 N -0.11 0.00 -4.11 1.61 6.02 -1.26 -5.01 117.38 114.51 3kif n GLN 93 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 3kif n GLN 93 Cb 0.00 -0.75 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 3kif n GLN 93 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3kif s ARG 94 N -0.35 2.93 -0.06 -1.09 1.70 -1.00 -5.13 118.95 115.94 3kif s ARG 94 Ca 0.00 -1.04 0.02 0.00 -0.47 0.00 0.00 55.73 54.24 3kif s ARG 94 Cb 0.00 -2.57 0.02 0.00 -0.57 0.00 0.00 34.95 31.82 3kif s ARG 94 CO 0.00 0.41 -0.10 0.12 -1.08 0.00 0.00 175.30 174.65 3kif s PHE 95 N -2.10 1.26 0.10 5.89 5.36 -1.26 -2.42 117.98 124.81 3kif s PHE 95 Ca 0.33 -0.46 0.06 0.00 -0.96 0.00 0.00 56.93 55.90 3kif s PHE 95 Cb -0.08 -0.97 -0.03 0.00 -0.34 0.00 0.00 43.02 41.60 3kif s PHE 95 CO 0.25 -0.27 -0.14 0.71 -1.46 0.00 0.00 175.22 174.31 3kif s TYR 96 N 0.80 1.32 0.00 10.12 2.02 0.44 -4.98 117.35 127.07 3kif s TYR 96 Ca -0.12 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 3kif s TYR 96 Cb -0.15 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3kif s TYR 96 CO 0.02 0.10 -0.02 -1.59 -1.57 0.00 0.00 175.55 172.50 3kif s LYS 97 N -2.24 0.13 0.08 -0.62 -2.85 -1.26 -0.82 119.74 112.16 3kif s LYS 97 Ca 0.04 -0.09 -0.27 0.00 -1.00 0.00 0.00 55.97 54.65 3kif s LYS 97 Cb -0.07 -0.09 0.09 0.00 -2.06 0.00 0.00 37.83 35.69 3kif s LYS 97 CO 0.03 0.02 1.14 0.00 0.10 0.00 0.00 175.35 176.64 3kif s ALA 98 N -0.14 -1.95 0.53 0.59 0.00 -1.12 -4.99 121.76 114.67 3kif s ALA 98 Ca -0.01 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 3kif s ALA 98 Cb -0.01 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 3kif s ALA 98 CO -0.00 -1.07 1.16 -0.51 0.00 0.00 0.00 175.76 175.34 3kif s LEU 99 N -3.20 3.81 0.80 0.00 1.43 -1.26 -1.52 118.68 118.75 3kif s LEU 99 Ca 0.18 2.27 -0.13 0.00 -1.03 0.00 0.00 54.13 55.41 3kif s LEU 99 Cb 0.01 -4.48 0.08 0.00 0.03 0.00 0.00 46.19 41.83 3kif s LEU 99 CO 0.01 -1.21 1.21 -2.16 0.23 0.00 0.00 176.35 174.42 3kif s PRO 100 N -3.12 1.66 1.10 1.29 0.04 -1.26 -4.79 135.00 129.92 3kif s PRO 100 Ca 0.71 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 3kif s PRO 100 Cb -0.27 -1.78 0.24 0.00 0.04 0.00 0.00 34.50 32.74 3kif s PRO 100 CO 0.31 -2.20 1.06 -1.25 0.04 0.00 0.00 177.00 174.96 3kif s PRO 101 N -4.13 -0.41 0.00 0.56 0.04 -1.26 -5.03 135.00 124.77 3kif s PRO 101 Ca 0.73 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.32 3kif s PRO 101 Cb -0.29 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3kif s PRO 101 CO 0.50 -3.31 0.00 1.33 0.04 0.00 0.00 177.00 175.57 3kif n VAL 102 N -4.58 0.00 0.00 -0.36 0.24 -1.26 -4.96 118.33 107.41 3kif n VAL 102 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3kif n VAL 102 Cb 0.57 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3kif n VAL 102 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49