#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h MET 15 N 0.00 0.00 0.00 5.87 2.86 -2.03 -1.78 114.93 119.85 3kif h MET 15 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kif h MET 15 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kif h MET 15 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3kif n GLY 16 N -1.04 -2.92 0.00 8.32 0.00 -1.26 -3.56 105.19 104.73 3kif n GLY 16 Ca -0.01 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.35 3kif n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kif n ARG 17 N -0.59 0.13 -2.50 1.61 1.85 -1.02 -4.94 116.66 111.20 3kif n ARG 17 Ca 0.00 0.18 -0.33 0.00 -1.00 0.00 0.00 57.85 56.71 3kif n ARG 17 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 3kif n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kif s ALA 18 N -2.50 3.00 -0.16 2.89 0.00 -0.70 -5.04 121.76 119.24 3kif s ALA 18 Ca 0.08 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 3kif s ALA 18 Cb 0.06 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3kif s ALA 18 CO 0.12 -0.21 0.71 0.21 0.00 0.00 0.00 175.76 176.60 3kif s LYS 19 N -3.72 4.29 -0.25 0.00 2.47 -1.26 -5.03 119.74 116.25 3kif s LYS 19 Ca 0.61 0.81 -0.25 0.00 -1.56 0.00 0.00 55.97 55.58 3kif s LYS 19 Cb -0.11 -3.55 -0.00 0.00 -1.46 0.00 0.00 37.83 32.71 3kif s LYS 19 CO 0.25 -0.20 0.86 -2.00 0.16 0.00 0.00 175.35 174.42 3kif s GLU 20 N 1.74 4.18 0.00 4.03 2.12 -1.26 -4.88 118.70 124.64 3kif s GLU 20 Ca 0.34 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.65 3kif s GLU 20 Cb -0.16 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3kif s GLU 20 CO 0.13 -0.55 0.38 0.44 -0.54 0.00 0.00 175.26 175.12 3kif n ILE 21 N 5.29 0.00 -3.46 -3.70 -5.35 -1.26 -4.09 119.36 106.79 3kif n ILE 21 Ca 0.06 -0.50 -0.15 0.00 -0.27 0.00 0.00 62.75 61.90 3kif n ILE 21 Cb 0.47 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.24 -0.60 0.00 3.28 0.00 -1.26 -3.83 107.32 104.67 3kif s GLY 22 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.58 3kif s GLY 22 CO 0.00 0.51 0.00 -2.01 0.00 0.00 0.00 173.10 171.60 3kif n ASN 23 N 0.19 3.56 -4.35 1.64 5.15 -1.26 -4.93 115.26 115.25 3kif n ASN 23 Ca -0.18 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.60 3kif n ASN 23 Cb 0.61 0.53 -0.10 0.00 -0.53 0.00 0.00 39.78 40.29 3kif n ASN 23 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3kif s GLY 24 N -1.92 1.44 0.00 8.20 0.00 -1.26 -4.85 107.32 108.93 3kif s GLY 24 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3kif s GLY 24 CO 0.00 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.01 3kif n GLY 25 N -0.19 0.92 0.07 0.20 0.00 -1.26 -4.92 105.19 100.02 3kif n GLY 25 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3kif n GLY 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kif h TRP 26 N 0.00 0.06 -4.16 1.61 4.06 -1.97 -3.35 115.95 112.20 3kif h TRP 26 Ca 0.00 -0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.38 3kif h TRP 26 Cb 0.00 -0.01 0.18 0.00 -1.00 0.00 0.00 29.16 28.33 3kif h TRP 26 CO 0.00 0.69 0.37 -0.40 -3.56 0.00 0.00 178.44 175.54 3kif n ASP 27 N -4.73 1.25 0.00 -3.49 3.85 -1.26 -2.99 116.55 109.18 3kif n ASP 27 Ca -0.09 0.65 0.00 0.00 -0.71 0.00 0.00 54.79 54.64 3kif n ASP 27 Cb 0.35 -1.52 0.00 0.00 -1.35 0.00 0.00 41.12 38.60 3kif n ASP 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kif n GLN 28 N -2.91 0.00 -3.01 0.11 6.02 -1.26 -5.06 117.38 111.28 3kif n GLN 28 Ca 0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.78 3kif n GLN 28 Cb 0.50 -0.60 -0.06 0.00 1.02 0.00 0.00 30.24 31.09 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kif s PHE 29 N -2.38 3.56 -0.11 1.08 0.08 -1.16 -4.82 117.98 114.23 3kif s PHE 29 Ca 0.00 1.46 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 3kif s PHE 29 Cb 0.00 -2.69 -0.27 0.00 -0.57 0.00 0.00 43.02 39.49 3kif s PHE 29 CO 0.00 0.21 0.45 0.37 -0.10 0.00 0.00 175.22 176.15 3kif h GLN 30 N 2.95 0.26 -5.18 0.44 4.15 -1.30 -3.46 115.11 112.97 3kif h GLN 30 Ca -0.48 -0.45 -0.36 0.00 0.77 0.00 0.00 58.65 58.14 3kif h GLN 30 Cb 1.19 0.17 -0.16 0.00 0.21 0.00 0.00 27.48 28.88 3kif h GLN 30 CO 0.65 1.21 -0.73 -0.06 -1.93 0.00 0.00 178.83 177.97 3kif s PHE 31 N -2.53 1.29 -0.29 3.99 0.08 -1.25 -4.99 117.98 114.27 3kif s PHE 31 Ca -0.21 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.21 3kif s PHE 31 Cb 0.06 -0.66 0.20 0.00 -0.57 0.00 0.00 43.02 42.04 3kif s PHE 31 CO 0.77 0.10 0.61 -1.17 -0.10 0.00 0.00 175.22 175.42 3kif s LEU 32 N -2.81 -1.53 0.31 -0.37 2.96 -1.26 -1.88 118.68 114.10 3kif s LEU 32 Ca 0.12 0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 3kif s LEU 32 Cb -0.01 2.06 0.04 0.00 0.50 0.00 0.00 46.19 48.78 3kif s LEU 32 CO 0.02 -0.28 0.77 0.72 -1.32 0.00 0.00 176.35 176.26 3kif s PHE 33 N 2.84 -0.06 0.11 5.38 -0.71 -0.56 -4.98 117.98 120.00 3kif s PHE 33 Ca 0.14 -0.48 0.08 0.00 -1.04 0.00 0.00 56.93 55.63 3kif s PHE 33 Cb -0.11 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 3kif s PHE 33 CO -0.24 -1.34 -0.15 -0.06 -1.34 0.00 0.00 175.22 172.09 3kif s PHE 34 N -3.18 2.61 0.74 3.49 0.08 -1.26 0.39 117.98 120.85 3kif s PHE 34 Ca 0.13 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 3kif s PHE 34 Cb -0.05 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 41.11 3kif s PHE 34 CO 0.08 0.39 1.05 0.16 -0.10 0.00 0.00 175.22 176.81 3kif s ASP 35 N -2.12 4.47 0.58 1.36 1.47 -0.95 -4.55 116.67 116.93 3kif s ASP 35 Ca 0.19 0.26 0.33 0.00 1.18 0.00 0.00 52.55 54.51 3kif s ASP 35 Cb -0.11 -0.77 1.80 0.00 -0.34 0.00 0.00 42.92 43.50 3kif s ASP 35 CO 0.11 -1.81 2.19 -0.65 0.68 0.00 0.00 175.17 175.69 3kif h PRO 36 N -0.73 0.00 -0.01 2.11 0.11 -1.87 -2.18 132.00 129.43 3kif h PRO 36 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kif h PRO 36 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kif h PRO 36 CO 0.53 0.05 -0.12 0.09 -0.21 0.00 0.00 178.00 178.33 3kif n ASN 37 N -3.50 1.27 0.00 -2.05 5.03 -1.26 -4.95 115.26 109.80 3kif n ASN 37 Ca -0.02 -1.21 0.00 0.00 0.87 0.00 0.00 54.58 54.22 3kif n ASN 37 Cb 0.16 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 3kif n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kif n GLY 38 N 1.25 0.74 3.77 7.41 0.00 -0.82 -5.05 105.19 112.49 3kif n GLY 38 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.43 2.95 0.04 1.61 2.02 -1.26 -4.21 117.35 116.07 3kif s TYR 39 Ca 0.00 1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 57.97 3kif s TYR 39 Cb 0.00 -3.56 -0.06 0.00 -0.40 0.00 0.00 41.96 37.94 3kif s TYR 39 CO 0.00 -1.74 0.59 -1.17 -1.57 0.00 0.00 175.55 171.66 3kif s LEU 40 N -2.38 4.48 0.02 -1.29 2.96 -0.37 -2.24 118.68 119.85 3kif s LEU 40 Ca 0.56 1.24 0.08 0.00 -0.22 0.00 0.00 54.13 55.79 3kif s LEU 40 Cb -0.35 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 3kif s LEU 40 CO 0.45 0.19 -0.23 -0.31 -1.32 0.00 0.00 176.35 175.13 3kif s TYR 41 N -0.69 2.43 -0.16 5.38 1.51 0.16 -2.14 117.35 123.85 3kif s TYR 41 Ca 0.30 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.92 3kif s TYR 41 Cb -0.19 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 3kif s TYR 41 CO 0.19 0.13 0.38 0.00 -1.11 0.00 0.00 175.55 175.14 3kif s ALA 42 N -0.78 -0.97 -0.23 3.71 0.00 -0.69 -1.50 121.76 121.29 3kif s ALA 42 Ca 0.12 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.35 3kif s ALA 42 Cb -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3kif s ALA 42 CO 0.02 -0.24 0.11 0.08 0.00 0.00 0.00 175.76 175.73 3kif s VAL 43 N 1.09 4.86 -0.27 0.00 1.01 -0.79 0.88 120.40 127.18 3kif s VAL 43 Ca -0.07 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3kif s VAL 43 Cb -0.07 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.13 3kif s VAL 43 CO -0.09 0.36 0.75 -0.94 0.00 0.00 0.00 175.10 175.19 3kif s SER 44 N 1.11 -0.74 -1.48 3.32 1.04 -1.03 -0.75 113.70 115.18 3kif s SER 44 Ca 0.06 1.39 -0.07 0.00 0.48 0.00 0.00 55.95 57.80 3kif s SER 44 Cb -0.14 1.40 0.02 0.00 0.10 0.00 0.00 66.02 67.39 3kif s SER 44 CO 0.04 -0.24 0.84 0.59 0.98 0.00 0.00 173.24 175.45 3kif n ASN 45 N 2.81 -6.06 -0.07 7.02 3.02 -1.26 -2.27 115.26 118.46 3kif n ASN 45 Ca -0.14 -0.41 -0.01 0.00 -0.03 0.00 0.00 54.58 53.98 3kif n ASN 45 Cb 0.56 -4.85 -0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -2.72 -3.64 -4.53 6.41 2.03 -1.26 -4.99 116.55 107.85 3kif n ASP 46 Ca -0.05 0.02 -0.25 0.00 0.52 0.00 0.00 54.79 55.03 3kif n ASP 46 Cb 0.59 -1.22 -0.09 0.00 -0.72 0.00 0.00 41.12 39.67 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 -0.82 1.88 -0.22 -0.67 1.02 -0.96 -1.69 119.74 118.29 3kif s LYS 47 Ca 0.00 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.40 3kif s LYS 47 Cb 0.00 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 3kif s LYS 47 CO 0.00 0.37 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.59 3kif s LEU 48 N -3.31 2.93 0.04 3.17 2.96 -0.74 -2.45 118.68 121.27 3kif s LEU 48 Ca 0.28 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3kif s LEU 48 Cb -0.06 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3kif s LEU 48 CO 0.16 -0.01 0.00 -0.31 -1.32 0.00 0.00 176.35 174.87 3kif s TYR 49 N 1.44 3.05 -0.05 5.38 2.02 0.25 -1.65 117.35 127.79 3kif s TYR 49 Ca 0.05 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 3kif s TYR 49 Cb -0.14 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3kif s TYR 49 CO -0.03 0.47 -0.02 0.21 -1.57 0.00 0.00 175.55 174.61 3kif s LYS 50 N -1.91 0.70 0.09 -0.62 2.20 0.70 -1.71 119.74 119.19 3kif s LYS 50 Ca 0.23 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.57 3kif s LYS 50 Cb -0.12 -0.84 0.08 0.00 -1.51 0.00 0.00 37.83 35.44 3kif s LYS 50 CO 0.14 -0.16 0.67 0.00 -0.36 0.00 0.00 175.35 175.65 3kif s ALA 51 N 1.26 -1.67 0.80 3.13 0.00 -0.91 -0.73 121.76 123.63 3kif s ALA 51 Ca -0.06 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 3kif s ALA 51 Cb -0.14 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3kif s ALA 51 CO -0.02 -0.69 0.51 -1.13 0.00 0.00 0.00 175.76 174.42 3kif n SER 52 N -0.16 -1.42 -4.61 0.00 3.41 -1.26 -1.24 113.62 108.34 3kif n SER 52 Ca -0.16 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 3kif n SER 52 Cb 0.63 -1.22 0.20 0.00 -0.26 0.00 0.00 64.21 63.56 3kif n SER 52 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3kif s PRO 53 N -3.06 0.06 0.32 4.33 0.04 -1.26 -4.61 135.00 130.82 3kif s PRO 53 Ca 0.63 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 3kif s PRO 53 Cb -0.30 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3kif s PRO 53 CO 0.61 -3.06 0.54 -1.25 0.04 0.00 0.00 177.00 173.88 3kif s PRO 54 N -4.72 3.53 0.00 0.56 0.05 -1.26 -5.01 135.00 128.15 3kif s PRO 54 Ca 0.66 -0.23 0.09 0.00 0.05 0.00 0.00 61.00 61.57 3kif s PRO 54 Cb -0.21 -2.67 -0.02 0.00 0.05 0.00 0.00 34.50 31.64 3kif s PRO 54 CO 0.60 0.18 0.53 0.00 0.05 0.00 0.00 177.00 178.36 3kif n GLN 55 N -1.47 2.67 -3.50 4.56 0.00 -1.26 -4.91 117.38 113.48 3kif n GLN 55 Ca -0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 57.00 56.44 3kif n GLN 55 Cb 0.55 -1.01 -0.02 0.00 0.00 0.00 0.00 30.24 29.77 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3kif s SER 56 N -1.38 -0.42 0.59 2.61 1.04 -1.25 -4.73 113.70 110.16 3kif s SER 56 Ca 0.06 -0.05 0.31 0.00 0.48 0.00 0.00 55.95 56.75 3kif s SER 56 Cb 0.07 0.48 1.33 0.00 0.10 0.00 0.00 66.02 67.99 3kif s SER 56 CO 0.25 -0.78 1.67 0.44 0.98 0.00 0.00 173.24 175.80 3kif h ASP 57 N 2.00 0.00 -0.01 7.02 3.32 -1.71 -2.08 116.42 124.96 3kif h ASP 57 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3kif h ASP 57 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3kif h ASP 57 CO 0.33 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.20 3kif n THR 58 N -3.63 0.01 -3.65 0.35 -2.24 -1.26 -4.73 114.28 99.12 3kif n THR 58 Ca 0.18 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 3kif n THR 58 Cb 1.11 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 3kif n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kif s ASP 59 N -1.59 5.58 -1.08 3.42 -1.08 -0.78 -5.00 116.67 116.13 3kif s ASP 59 Ca 0.29 -0.94 -0.17 0.00 -0.52 0.00 0.00 52.55 51.21 3kif s ASP 59 Cb 0.13 -1.98 0.14 0.00 -1.46 0.00 0.00 42.92 39.75 3kif s ASP 59 CO 0.22 -0.33 1.32 0.21 0.52 0.00 0.00 175.17 177.11 3kif s ASN 60 N 1.53 6.83 0.13 -0.34 3.84 -1.26 -4.81 114.94 120.86 3kif s ASN 60 Ca 0.02 -2.46 -0.29 0.00 0.21 0.00 0.00 52.86 50.33 3kif s ASN 60 Cb -0.19 -2.42 -0.05 0.00 -0.55 0.00 0.00 41.25 38.04 3kif s ASN 60 CO 0.05 -0.95 1.58 -0.25 -2.79 0.00 0.00 177.10 174.74 3kif h TRP 61 N 8.06 -1.24 -0.82 0.43 7.01 -1.94 -1.19 115.95 126.26 3kif h TRP 61 Ca 0.25 0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.26 3kif h TRP 61 Cb 0.95 0.57 -0.04 0.00 -2.10 0.00 0.00 29.16 28.54 3kif h TRP 61 CO 1.16 -0.47 0.36 0.97 -2.79 0.00 0.00 178.44 177.66 3kif h ILE 62 N -0.47 1.26 -0.64 2.65 6.09 -1.94 0.55 117.51 125.01 3kif h ILE 62 Ca 0.08 -0.78 0.07 0.00 -1.37 0.00 0.00 64.86 62.86 3kif h ILE 62 Cb 0.62 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.12 3kif h ILE 62 CO -0.43 0.33 0.43 0.00 -3.07 0.00 0.00 178.15 175.40 3kif h ALA 63 N 1.21 1.79 0.00 0.18 0.00 -1.80 -2.64 119.26 118.01 3kif h ALA 63 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kif h ALA 63 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kif h ALA 63 CO -0.03 0.10 -1.08 0.07 0.00 0.00 0.00 179.25 178.31 3kif h ARG 64 N 0.63 0.00 -6.94 0.00 0.11 0.03 -3.48 114.38 104.73 3kif h ARG 64 Ca 0.28 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.81 3kif h ARG 64 Cb 0.30 0.00 0.19 0.00 1.11 0.00 0.00 29.97 31.56 3kif h ARG 64 CO -0.09 0.11 -0.03 0.00 0.10 0.00 0.00 179.97 180.06 3kif n ALA 65 N -2.25 -0.79 -2.82 0.08 0.00 0.18 -4.94 120.51 109.98 3kif n ALA 65 Ca -0.03 -0.30 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 3kif n ALA 65 Cb 0.65 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.98 3kif n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kif s THR 66 N -2.02 5.44 -0.84 0.00 2.01 0.09 -4.81 115.64 115.52 3kif s THR 66 Ca 0.69 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.69 3kif s THR 66 Cb -0.31 -3.41 0.12 0.00 0.01 0.00 0.00 72.50 68.90 3kif s THR 66 CO 0.55 0.55 1.05 -0.70 -0.69 0.00 0.00 174.62 175.38 3kif s GLU 67 N -0.50 3.45 0.00 4.92 2.12 -1.26 -0.21 118.70 127.20 3kif s GLU 67 Ca 0.12 -1.53 0.26 0.00 0.36 0.00 0.00 54.97 54.17 3kif s GLU 67 Cb -0.12 -4.70 0.60 0.00 0.26 0.00 0.00 34.13 30.17 3kif s GLU 67 CO 0.02 -1.75 1.47 0.44 -0.54 0.00 0.00 175.26 174.89 3kif n ILE 68 N 5.56 0.00 -3.79 -3.70 -5.35 -0.66 -4.71 119.36 106.72 3kif n ILE 68 Ca 0.15 -0.11 -0.13 0.00 -0.27 0.00 0.00 62.75 62.39 3kif n ILE 68 Cb 0.48 0.48 -0.13 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.60 -0.12 -0.19 3.28 0.00 -1.14 -4.69 107.32 101.85 3kif s GLY 69 Ca 0.21 0.61 0.13 0.00 0.00 0.00 0.00 44.72 45.68 3kif s GLY 69 CO 0.57 0.65 0.01 1.44 0.00 0.00 0.00 173.10 175.77 3kif n SER 70 N 3.36 0.81 -3.67 1.64 7.64 -1.26 -1.80 113.62 120.34 3kif n SER 70 Ca -0.17 -0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.60 3kif n SER 70 Cb 0.57 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 64.44 3kif n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kif s GLY 71 N -5.45 -0.31 0.00 0.23 0.00 -1.24 -4.68 107.32 95.87 3kif s GLY 71 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3kif s GLY 71 CO 0.71 0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.45 3kif n GLY 72 N -0.42 0.70 0.02 0.20 0.00 -1.10 -4.93 105.19 99.67 3kif n GLY 72 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3kif n GLY 72 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kif n TRP 73 N -2.00 0.16 1.14 1.61 7.02 -0.68 -3.97 117.44 120.72 3kif n TRP 73 Ca 0.00 0.05 0.12 0.00 -1.02 0.00 0.00 57.50 56.65 3kif n TRP 73 Cb 0.00 -0.37 0.24 0.00 -2.42 0.00 0.00 31.31 28.77 3kif n TRP 73 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3kif n SER 74 N -1.70 1.16 0.18 -0.99 3.41 -1.26 -3.97 113.62 110.45 3kif n SER 74 Ca 0.05 -0.94 0.10 0.00 -0.26 0.00 0.00 58.87 57.82 3kif n SER 74 Cb 0.37 0.28 0.56 0.00 -0.26 0.00 0.00 64.21 65.16 3kif n SER 74 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kif h GLY 75 N 4.93 0.00 -4.38 5.00 0.00 -1.97 -3.47 103.07 103.17 3kif h GLY 75 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3kif h GLY 75 CO 0.00 0.00 0.01 -1.36 0.00 0.00 0.00 176.54 175.19 3kif s PHE 76 N -3.53 3.79 -0.09 5.60 0.08 -1.25 -4.54 117.98 118.03 3kif s PHE 76 Ca -0.02 1.32 0.15 0.00 0.12 0.00 0.00 56.93 58.50 3kif s PHE 76 Cb 0.06 -2.54 -0.17 0.00 -0.57 0.00 0.00 43.02 39.80 3kif s PHE 76 CO 0.19 0.53 0.76 1.17 -0.10 0.00 0.00 175.22 177.77 3kif n LYS 77 N 1.49 0.62 -3.83 0.44 4.81 0.21 -4.90 118.16 117.00 3kif n LYS 77 Ca -0.08 0.25 -0.12 0.00 -0.87 0.00 0.00 58.31 57.49 3kif n LYS 77 Cb 0.51 -1.80 -0.13 0.00 0.02 0.00 0.00 35.03 33.62 3kif n LYS 77 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3kif s PHE 78 N -2.80 -0.13 -0.18 5.64 0.08 -1.21 -4.97 117.98 114.42 3kif s PHE 78 Ca -0.04 0.31 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 3kif s PHE 78 Cb 0.08 0.04 0.09 0.00 -0.57 0.00 0.00 43.02 42.66 3kif s PHE 78 CO 0.82 -0.08 0.25 -1.17 -0.10 0.00 0.00 175.22 174.94 3kif s LEU 79 N 0.00 -0.23 0.07 -0.37 2.96 -1.26 -0.36 118.68 119.49 3kif s LEU 79 Ca -0.01 0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.75 3kif s LEU 79 Cb -0.01 0.57 0.09 0.00 0.50 0.00 0.00 46.19 47.33 3kif s LEU 79 CO 0.00 -0.29 0.74 0.72 -1.32 0.00 0.00 176.35 176.20 3kif s PHE 80 N 2.38 -0.46 -0.11 5.38 -0.71 -0.73 -4.93 117.98 118.80 3kif s PHE 80 Ca 0.06 0.34 -0.12 0.00 -1.04 0.00 0.00 56.93 56.16 3kif s PHE 80 Cb -0.14 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 3kif s PHE 80 CO -0.11 -0.69 0.28 -0.06 -1.34 0.00 0.00 175.22 173.30 3kif s PHE 81 N -3.24 3.56 0.47 3.49 0.08 -1.26 0.40 117.98 121.49 3kif s PHE 81 Ca 0.02 0.68 -0.20 0.00 0.12 0.00 0.00 56.93 57.54 3kif s PHE 81 Cb -0.01 -2.23 -0.09 0.00 -0.57 0.00 0.00 43.02 40.12 3kif s PHE 81 CO -0.09 0.46 1.02 -1.58 -0.10 0.00 0.00 175.22 174.93 3kif s HIS 82 N -0.28 3.05 -1.24 0.36 5.65 0.37 -4.93 115.29 118.28 3kif s HIS 82 Ca 0.18 1.58 0.20 0.00 0.25 0.00 0.00 55.06 57.27 3kif s HIS 82 Cb -0.14 -3.03 0.95 0.00 -1.18 0.00 0.00 32.58 29.18 3kif s HIS 82 CO 0.06 -0.70 1.64 -0.35 -0.65 0.00 0.00 174.74 174.74 3kif n PRO 83 N -0.89 0.16 -0.00 2.88 -0.04 -1.26 -1.15 135.00 134.69 3kif n PRO 83 Ca 0.09 0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.82 3kif n PRO 83 Cb 0.53 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.26 3kif n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kif n ASN 84 N -1.38 0.46 0.00 3.54 3.02 -1.26 -4.82 115.26 114.82 3kif n ASN 84 Ca 0.07 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3kif n ASN 84 Cb 0.19 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3kif n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kif n GLY 85 N 1.03 0.84 3.87 7.41 0.00 -0.30 -5.08 105.19 112.95 3kif n GLY 85 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 3.51 -0.27 1.61 2.02 -1.24 -4.39 117.35 116.58 3kif s TYR 86 Ca 0.00 0.84 -0.09 0.00 -0.37 0.00 0.00 57.07 57.45 3kif s TYR 86 Cb 0.00 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3kif s TYR 86 CO 0.00 0.39 0.12 -1.17 -1.57 0.00 0.00 175.55 173.33 3kif s LEU 87 N -2.37 3.76 0.01 -1.29 2.96 -0.71 0.14 118.68 121.17 3kif s LEU 87 Ca 0.41 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3kif s LEU 87 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3kif s LEU 87 CO 0.20 -0.07 0.18 -0.31 -1.32 0.00 0.00 176.35 175.03 3kif s TYR 88 N 1.66 3.51 -0.14 5.38 1.51 0.16 -2.16 117.35 127.28 3kif s TYR 88 Ca 0.06 0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 56.30 3kif s TYR 88 Cb -0.16 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 3kif s TYR 88 CO 0.06 0.62 0.38 0.00 -1.11 0.00 0.00 175.55 175.51 3kif s ALA 89 N -1.35 -0.95 -0.27 3.71 0.00 -0.00 -1.78 121.76 121.11 3kif s ALA 89 Ca 0.29 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3kif s ALA 89 Cb -0.13 -0.58 0.06 0.00 0.00 0.00 0.00 23.12 22.47 3kif s ALA 89 CO 0.20 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 175.78 3kif s VAL 90 N 0.09 2.44 -0.21 0.00 1.01 0.52 -0.19 120.40 124.06 3kif s VAL 90 Ca -0.01 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.38 3kif s VAL 90 Cb -0.03 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kif s VAL 90 CO 0.01 -0.04 0.03 -0.60 0.00 0.00 0.00 175.10 174.50 3kif s ARG 91 N 1.16 3.71 2.18 2.72 6.06 -0.73 0.68 118.95 134.72 3kif s ARG 91 Ca -0.07 -0.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.69 3kif s ARG 91 Cb -0.20 -3.17 0.00 0.00 0.06 0.00 0.00 34.95 31.64 3kif s ARG 91 CO -0.04 0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.19 3kif n GLY 92 N 4.25 2.79 0.14 8.12 0.00 -1.26 -0.30 105.19 118.93 3kif n GLY 92 Ca -0.17 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3kif n GLY 92 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kif h GLN 93 N 0.00 0.00 -6.20 1.61 1.08 -2.01 -3.48 115.11 106.12 3kif h GLN 93 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3kif h GLN 93 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 3kif h GLN 93 CO 0.00 0.00 -0.53 1.03 -0.95 0.00 0.00 178.83 178.38 3kif s ARG 94 N -3.15 2.87 -0.04 1.46 0.52 0.59 -5.11 118.95 116.08 3kif s ARG 94 Ca 0.09 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.24 3kif s ARG 94 Cb 0.10 -2.53 -0.00 0.00 0.52 0.00 0.00 34.95 33.04 3kif s ARG 94 CO 0.61 0.37 -0.16 0.12 0.02 0.00 0.00 175.30 176.25 3kif s PHE 95 N -2.16 1.65 0.03 -0.53 5.36 -1.26 -1.78 117.98 119.29 3kif s PHE 95 Ca 0.33 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3kif s PHE 95 Cb -0.08 -1.11 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 3kif s PHE 95 CO 0.25 -0.16 -0.05 0.71 -1.46 0.00 0.00 175.22 174.50 3kif s TYR 96 N 0.05 0.48 -0.05 10.12 1.51 0.74 -4.99 117.35 125.21 3kif s TYR 96 Ca -0.04 -0.53 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 3kif s TYR 96 Cb -0.11 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.45 3kif s TYR 96 CO 0.02 -0.14 0.19 -1.59 -1.11 0.00 0.00 175.55 172.92 3kif s LYS 97 N -1.61 0.32 0.09 -0.62 0.00 -1.26 -0.82 119.74 115.84 3kif s LYS 97 Ca -0.12 0.09 -0.25 0.00 0.00 0.00 0.00 55.97 55.68 3kif s LYS 97 Cb -0.09 0.14 0.07 0.00 0.00 0.00 0.00 37.83 37.95 3kif s LYS 97 CO -0.01 -0.06 0.62 0.00 0.00 0.00 0.00 175.35 175.90 3kif s ALA 98 N -0.33 -1.63 0.27 0.59 0.00 -0.92 -4.98 121.76 114.75 3kif s ALA 98 Ca -0.04 0.73 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 3kif s ALA 98 Cb -0.03 0.61 -0.15 0.00 0.00 0.00 0.00 23.12 23.55 3kif s ALA 98 CO 0.01 -0.64 0.68 1.28 0.00 0.00 0.00 175.76 177.09 3kif n LEU 99 N 0.03 -0.06 -4.76 0.00 4.77 -1.26 -1.75 117.00 113.97 3kif n LEU 99 Ca -0.18 1.11 -0.36 0.00 -0.03 0.00 0.00 56.01 56.55 3kif n LEU 99 Cb 0.62 -1.09 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3kif n LEU 99 CO 0.16 -2.45 0.85 -2.84 -1.33 0.00 0.00 177.39 171.78 3kif s PRO 100 N -1.27 3.26 0.00 3.23 0.02 -1.26 -4.83 135.00 134.15 3kif s PRO 100 Ca 0.62 1.83 0.20 0.00 0.02 0.00 0.00 61.00 63.67 3kif s PRO 100 Cb -0.80 -2.10 1.22 0.00 0.02 0.00 0.00 34.50 32.84 3kif s PRO 100 CO 0.58 -0.98 1.60 -0.35 -0.33 0.00 0.00 177.00 177.52