#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h TRP 14 N 0.00 0.56 -0.40 3.10 7.01 -2.02 -0.37 115.95 123.83 3kif h TRP 14 Ca 0.00 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.07 3kif h TRP 14 Cb 0.00 -0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 26.81 3kif h TRP 14 CO 0.00 0.41 -0.06 1.98 -2.79 0.00 0.00 178.44 177.97 3kif h MET 15 N 0.55 0.04 0.15 2.65 4.05 -2.01 -2.86 114.93 117.49 3kif h MET 15 Ca 0.15 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3kif h MET 15 Cb 0.02 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.77 3kif h MET 15 CO -0.03 0.02 -0.51 0.78 0.23 0.00 0.00 176.91 177.41 3kif h GLY 16 N 0.04 -1.10 -2.12 1.39 0.00 -1.76 -2.73 103.07 96.77 3kif h GLY 16 Ca 0.20 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 48.13 3kif h GLY 16 CO -0.38 -0.28 0.01 0.54 0.00 0.00 0.00 176.54 176.43 3kif n ARG 17 N -5.49 1.02 -4.36 4.80 1.74 -0.24 -4.84 116.66 109.28 3kif n ARG 17 Ca -0.08 -0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 56.76 3kif n ARG 17 Cb 0.41 -1.02 -0.10 0.00 -1.02 0.00 0.00 32.46 30.74 3kif n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kif s ALA 18 N -0.04 2.12 -0.03 7.54 0.00 -1.03 -5.00 121.76 125.31 3kif s ALA 18 Ca 0.01 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 3kif s ALA 18 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3kif s ALA 18 CO 0.00 0.11 0.99 0.21 0.00 0.00 0.00 175.76 177.07 3kif s LYS 19 N -3.58 4.52 -0.03 0.00 2.20 -1.26 -5.00 119.74 116.59 3kif s LYS 19 Ca 0.23 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 3kif s LYS 19 Cb -0.02 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3kif s LYS 19 CO 0.08 -0.12 1.47 -2.00 -0.36 0.00 0.00 175.35 174.42 3kif s GLU 20 N 1.27 4.24 -0.00 4.03 2.12 -1.26 -4.88 118.70 124.21 3kif s GLU 20 Ca 0.51 2.02 0.04 0.00 0.36 0.00 0.00 54.97 57.90 3kif s GLU 20 Cb -0.21 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 3kif s GLU 20 CO 0.25 -0.69 0.13 0.44 -0.54 0.00 0.00 175.26 174.86 3kif n ILE 21 N 5.01 0.00 -3.97 -3.70 -5.35 -1.26 -4.14 119.36 105.95 3kif n ILE 21 Ca 0.15 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 3kif n ILE 21 Cb 0.43 0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 39.00 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 -1.77 0.22 0.00 3.28 0.00 -1.26 -3.67 107.32 104.13 3kif s GLY 22 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3kif s GLY 22 CO 0.16 -0.64 0.00 -2.01 0.00 0.00 0.00 173.10 170.61 3kif n ASN 23 N 1.51 3.65 -4.14 1.64 2.85 -1.26 -4.88 115.26 114.62 3kif n ASN 23 Ca -0.23 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.09 3kif n ASN 23 Cb 0.55 0.61 -0.10 0.00 1.24 0.00 0.00 39.78 42.08 3kif n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3kif s GLY 24 N -1.80 1.68 0.00 8.20 0.00 -1.26 -4.88 107.32 109.26 3kif s GLY 24 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 3kif s GLY 24 CO 0.00 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.22 3kif n GLY 25 N -0.39 2.82 0.30 0.20 0.00 -1.26 -4.88 105.19 101.97 3kif n GLY 25 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -0.21 1.61 4.06 -1.98 -1.38 115.95 118.05 3kif h TRP 26 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kif h TRP 26 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kif h TRP 26 CO 0.00 0.03 0.00 -0.40 -3.56 0.00 0.00 178.44 174.51 3kif n ASP 27 N -3.21 2.58 0.01 -3.49 5.75 -1.26 -3.69 116.55 113.24 3kif n ASP 27 Ca -0.01 -1.85 0.08 0.00 -0.01 0.00 0.00 54.79 52.99 3kif n ASP 27 Cb 0.20 -0.13 0.34 0.00 -1.03 0.00 0.00 41.12 40.50 3kif n ASP 27 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3kif n GLN 28 N 0.94 0.01 -3.12 0.11 7.27 -0.52 -4.79 117.38 117.28 3kif n GLN 28 Ca 0.17 0.24 -0.39 0.00 0.07 0.00 0.00 57.00 57.09 3kif n GLN 28 Cb 0.49 -1.52 -0.05 0.00 2.41 0.00 0.00 30.24 31.57 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3kif s PHE 29 N -3.01 3.69 -0.01 3.69 0.08 -1.24 -4.49 117.98 116.67 3kif s PHE 29 Ca 0.07 1.29 0.08 0.00 0.12 0.00 0.00 56.93 58.49 3kif s PHE 29 Cb 0.10 -2.69 -0.24 0.00 -0.57 0.00 0.00 43.02 39.62 3kif s PHE 29 CO 0.29 0.30 0.78 0.37 -0.10 0.00 0.00 175.22 176.85 3kif h GLN 30 N 5.78 0.05 -4.73 0.44 4.15 -0.71 -3.47 115.11 116.62 3kif h GLN 30 Ca -0.44 -0.09 -0.35 0.00 0.77 0.00 0.00 58.65 58.54 3kif h GLN 30 Cb 1.20 0.03 -0.25 0.00 0.21 0.00 0.00 27.48 28.68 3kif h GLN 30 CO 0.71 0.73 -0.76 -0.06 -1.93 0.00 0.00 178.83 177.51 3kif s PHE 31 N -2.62 0.79 -0.29 3.99 0.08 -1.21 -4.95 117.98 113.77 3kif s PHE 31 Ca -0.06 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3kif s PHE 31 Cb 0.08 -0.48 0.18 0.00 -0.57 0.00 0.00 43.02 42.23 3kif s PHE 31 CO 0.82 -0.02 0.56 -1.17 -0.10 0.00 0.00 175.22 175.31 3kif s LEU 32 N -0.94 -1.34 0.13 -0.37 2.96 -1.26 -0.76 118.68 117.11 3kif s LEU 32 Ca -0.02 0.53 -0.24 0.00 -0.22 0.00 0.00 54.13 54.18 3kif s LEU 32 Cb -0.07 1.95 0.07 0.00 0.50 0.00 0.00 46.19 48.64 3kif s LEU 32 CO 0.00 -0.28 0.72 0.72 -1.32 0.00 0.00 176.35 176.19 3kif s PHE 33 N 2.80 -0.41 0.08 5.38 -0.71 -0.37 -4.98 117.98 119.77 3kif s PHE 33 Ca 0.16 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 3kif s PHE 33 Cb -0.13 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 3kif s PHE 33 CO -0.22 -0.83 0.23 -0.06 -1.34 0.00 0.00 175.22 173.00 3kif s PHE 34 N -3.58 3.51 0.59 3.49 0.08 -1.26 -0.19 117.98 120.61 3kif s PHE 34 Ca 0.04 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.35 3kif s PHE 34 Cb -0.02 -1.74 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 3kif s PHE 34 CO -0.08 0.57 0.81 0.16 -0.10 0.00 0.00 175.22 176.58 3kif s ASP 35 N -2.67 5.02 0.60 1.36 1.47 -0.87 -4.50 116.67 117.09 3kif s ASP 35 Ca 0.35 -0.34 0.34 0.00 1.18 0.00 0.00 52.55 54.08 3kif s ASP 35 Cb -0.13 -0.36 1.95 0.00 -0.34 0.00 0.00 42.92 44.04 3kif s ASP 35 CO 0.28 -1.34 2.27 -0.65 0.68 0.00 0.00 175.17 176.41 3kif h PRO 36 N -0.00 0.00 -0.05 2.11 0.11 -1.85 -0.86 132.00 131.46 3kif h PRO 36 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kif h PRO 36 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kif h PRO 36 CO 0.45 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 3kif n ASN 37 N -3.62 2.39 0.00 -2.05 4.13 -1.26 -4.95 115.26 109.90 3kif n ASN 37 Ca -0.03 -1.79 0.00 0.00 1.68 0.00 0.00 54.58 54.44 3kif n ASN 37 Cb 0.10 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3kif n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kif n GLY 38 N 1.28 0.78 3.77 7.41 0.00 -0.33 -5.07 105.19 113.03 3kif n GLY 38 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.11 3.06 -0.13 1.61 2.02 -1.26 -4.41 117.35 116.13 3kif s TYR 39 Ca 0.00 1.53 -0.18 0.00 -0.37 0.00 0.00 57.07 58.05 3kif s TYR 39 Cb 0.00 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 3kif s TYR 39 CO 0.00 -1.42 0.48 -1.17 -1.57 0.00 0.00 175.55 171.87 3kif s LEU 40 N -2.38 4.26 0.11 -1.29 2.96 0.47 -2.05 118.68 120.77 3kif s LEU 40 Ca 0.56 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 55.34 3kif s LEU 40 Cb -0.32 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 3kif s LEU 40 CO 0.41 -0.01 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.01 3kif s TYR 41 N 0.70 2.71 -0.16 5.38 1.51 0.73 -1.80 117.35 126.43 3kif s TYR 41 Ca 0.26 -0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 55.98 3kif s TYR 41 Cb -0.15 -1.42 0.05 0.00 -0.11 0.00 0.00 41.96 40.33 3kif s TYR 41 CO 0.10 0.43 0.47 0.00 -1.11 0.00 0.00 175.55 175.43 3kif s ALA 42 N -1.22 -1.16 -0.01 3.71 0.00 -0.73 -1.23 121.76 121.10 3kif s ALA 42 Ca 0.21 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.49 3kif s ALA 42 Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3kif s ALA 42 CO 0.13 -0.23 -0.19 0.08 0.00 0.00 0.00 175.76 175.55 3kif s VAL 43 N 0.08 2.66 -0.28 0.00 1.01 0.06 -0.73 120.40 123.20 3kif s VAL 43 Ca -0.01 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 3kif s VAL 43 Cb -0.03 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.43 3kif s VAL 43 CO 0.01 0.52 0.85 -0.55 0.00 0.00 0.00 175.10 175.93 3kif s SER 44 N -0.89 -0.69 -0.77 3.32 0.15 -0.90 0.02 113.70 113.94 3kif s SER 44 Ca 0.12 1.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.85 3kif s SER 44 Cb -0.10 1.26 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 3kif s SER 44 CO 0.01 -0.19 0.14 -3.20 1.20 0.00 0.00 173.24 171.21 3kif n ASN 45 N 3.59 -0.53 0.00 5.45 4.05 -1.26 -0.00 115.26 126.56 3kif n ASN 45 Ca -0.18 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.15 3kif n ASN 45 Cb 0.58 -0.86 0.00 0.00 1.23 0.00 0.00 39.78 40.72 3kif n ASN 45 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3kif n ASP 46 N -1.16 -2.14 -4.51 1.20 4.64 -1.26 -4.99 116.55 108.32 3kif n ASP 46 Ca -0.13 0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.04 3kif n ASP 46 Cb 0.35 -0.99 -0.09 0.00 -1.04 0.00 0.00 41.12 39.35 3kif n ASP 46 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3kif s LYS 47 N -0.40 1.83 -0.22 -0.67 1.02 1.00 -2.59 119.74 119.71 3kif s LYS 47 Ca 0.00 -1.65 -0.04 0.00 0.02 0.00 0.00 55.97 54.29 3kif s LYS 47 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 3kif s LYS 47 CO 0.00 0.35 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.59 3kif s LEU 48 N -3.47 3.06 0.22 3.17 2.96 -0.96 -2.12 118.68 121.54 3kif s LEU 48 Ca 0.30 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3kif s LEU 48 Cb -0.06 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3kif s LEU 48 CO 0.16 0.01 0.11 -0.31 -1.32 0.00 0.00 176.35 175.00 3kif s TYR 49 N 1.32 2.99 -0.15 5.38 2.02 0.09 -0.44 117.35 128.57 3kif s TYR 49 Ca 0.04 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 3kif s TYR 49 Cb -0.14 -1.38 0.07 0.00 -0.40 0.00 0.00 41.96 40.10 3kif s TYR 49 CO -0.01 0.54 0.32 0.21 -1.57 0.00 0.00 175.55 175.05 3kif s LYS 50 N -3.49 0.24 0.31 -0.62 2.20 -0.53 -1.78 119.74 116.06 3kif s LYS 50 Ca 0.31 0.80 -0.18 0.00 -0.36 0.00 0.00 55.97 56.55 3kif s LYS 50 Cb -0.08 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.32 3kif s LYS 50 CO 0.22 -0.24 0.71 0.00 -0.36 0.00 0.00 175.35 175.68 3kif s ALA 51 N 2.18 -0.89 0.45 3.13 0.00 -0.75 -2.10 121.76 123.78 3kif s ALA 51 Ca -0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3kif s ALA 51 Cb -0.11 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 3kif s ALA 51 CO -0.10 -0.99 1.07 -1.54 0.00 0.00 0.00 175.76 174.19 3kif s SER 52 N -2.99 6.45 1.00 0.00 1.04 -1.26 -0.39 113.70 117.55 3kif s SER 52 Ca 0.14 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.51 3kif s SER 52 Cb -0.05 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.68 3kif s SER 52 CO 0.09 -0.71 1.09 -2.16 0.98 0.00 0.00 173.24 172.54 3kif s PRO 53 N -2.84 0.38 0.79 4.02 0.04 -1.26 -4.80 135.00 131.34 3kif s PRO 53 Ca 0.63 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 3kif s PRO 53 Cb -0.21 -1.68 0.08 0.00 0.04 0.00 0.00 34.50 32.73 3kif s PRO 53 CO 0.26 -2.94 1.15 -1.25 0.04 0.00 0.00 177.00 174.25 3kif s PRO 54 N -4.63 1.93 0.00 0.56 0.04 -1.26 -5.03 135.00 126.61 3kif s PRO 54 Ca 0.67 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.67 3kif s PRO 54 Cb -0.23 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3kif s PRO 54 CO 0.60 -1.56 0.00 1.04 0.04 0.00 0.00 177.00 177.12 3kif n GLN 55 N -3.24 2.02 -3.67 4.56 1.13 -1.26 -4.93 117.38 111.97 3kif n GLN 55 Ca 0.09 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.08 3kif n GLN 55 Cb 0.61 -0.74 -0.02 0.00 0.11 0.00 0.00 30.24 30.20 3kif n GLN 55 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kif s SER 56 N -1.87 -0.29 0.52 1.08 1.04 -1.25 -4.73 113.70 108.19 3kif s SER 56 Ca 0.00 -0.30 0.35 0.00 0.48 0.00 0.00 55.95 56.48 3kif s SER 56 Cb 0.00 0.54 1.85 0.00 0.10 0.00 0.00 66.02 68.50 3kif s SER 56 CO 0.00 -0.95 2.07 0.44 0.98 0.00 0.00 173.24 175.78 3kif h ASP 57 N 2.00 0.00 1.10 7.02 3.32 -1.72 0.11 116.42 128.25 3kif h ASP 57 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3kif h ASP 57 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3kif h ASP 57 CO 0.28 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.51 3kif h THR 58 N 0.00 0.00 -3.36 0.35 1.35 -1.95 -3.44 112.91 105.86 3kif h THR 58 Ca 0.00 -0.42 -0.58 0.00 -0.55 0.00 0.00 66.41 64.86 3kif h THR 58 Cb 0.06 1.29 -0.08 0.00 -1.73 0.00 0.00 68.15 67.70 3kif h THR 58 CO 0.00 0.00 0.25 -0.62 -0.25 0.00 0.00 175.52 174.90 3kif s ASP 59 N -4.75 6.83 -0.77 5.36 -1.08 0.02 -4.99 116.67 117.29 3kif s ASP 59 Ca 0.06 1.01 -0.18 0.00 -0.52 0.00 0.00 52.55 52.92 3kif s ASP 59 Cb 0.10 -2.40 0.14 0.00 -1.46 0.00 0.00 42.92 39.30 3kif s ASP 59 CO 0.50 -0.32 0.87 0.21 0.52 0.00 0.00 175.17 176.94 3kif s ASN 60 N 1.16 6.49 0.02 -0.34 3.84 -1.26 -4.90 114.94 119.95 3kif s ASN 60 Ca 0.34 -1.97 -0.24 0.00 0.21 0.00 0.00 52.86 51.20 3kif s ASN 60 Cb -0.16 -2.31 -0.17 0.00 -0.55 0.00 0.00 41.25 38.06 3kif s ASN 60 CO 0.12 -0.96 1.40 -0.25 -2.79 0.00 0.00 177.10 174.62 3kif h TRP 61 N 8.69 0.11 0.00 0.43 7.01 -1.95 -2.38 115.95 127.86 3kif h TRP 61 Ca -0.04 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.90 3kif h TRP 61 Cb 1.05 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 3kif h TRP 61 CO 1.00 0.44 -0.18 0.97 -2.79 0.00 0.00 178.44 177.88 3kif h ILE 62 N -0.25 0.59 -0.03 2.65 6.09 -1.95 -0.28 117.51 124.33 3kif h ILE 62 Ca 0.01 -0.84 -0.17 0.00 -1.37 0.00 0.00 64.86 62.49 3kif h ILE 62 Cb 0.40 1.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 3kif h ILE 62 CO 0.01 0.18 -0.75 0.00 -3.07 0.00 0.00 178.15 174.51 3kif h ALA 63 N 1.82 0.67 -0.01 0.18 0.00 -1.93 -3.20 119.26 116.78 3kif h ALA 63 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3kif h ALA 63 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kif h ALA 63 CO 0.02 0.83 -0.30 2.89 0.00 0.00 0.00 179.25 182.70 3kif n ARG 64 N -3.75 0.94 -2.44 0.00 1.85 -0.77 -4.98 116.66 107.51 3kif n ARG 64 Ca -0.03 -0.61 -0.38 0.00 -1.00 0.00 0.00 57.85 55.82 3kif n ARG 64 Cb 0.72 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.61 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 -2.48 3.21 -0.08 2.89 0.00 -0.19 -4.93 121.76 120.18 3kif s ALA 65 Ca 0.23 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 3kif s ALA 65 Cb 0.19 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3kif s ALA 65 CO 0.53 -0.30 0.83 0.99 0.00 0.00 0.00 175.76 177.81 3kif s THR 66 N -1.42 4.93 -0.20 0.00 2.01 -0.89 -4.85 115.64 115.23 3kif s THR 66 Ca 0.53 1.70 -0.29 0.00 0.31 0.00 0.00 61.69 63.95 3kif s THR 66 Cb -0.28 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 3kif s THR 66 CO 0.36 0.14 1.81 -0.70 -0.69 0.00 0.00 174.62 175.54 3kif s GLU 67 N 1.35 3.66 0.00 4.92 2.12 -1.26 -1.45 118.70 128.03 3kif s GLU 67 Ca 0.42 1.85 0.09 0.00 0.36 0.00 0.00 54.97 57.68 3kif s GLU 67 Cb -0.18 -4.14 -0.09 0.00 0.26 0.00 0.00 34.13 29.98 3kif s GLU 67 CO 0.19 -1.48 0.38 0.44 -0.54 0.00 0.00 175.26 174.25 3kif n ILE 68 N 6.67 0.00 -4.23 -3.70 -5.35 0.42 -4.75 119.36 108.43 3kif n ILE 68 Ca 0.22 -0.30 -0.24 0.00 -0.27 0.00 0.00 62.75 62.15 3kif n ILE 68 Cb 0.45 1.00 -0.17 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.80 0.73 -0.19 3.28 0.00 -0.74 -4.31 107.32 104.29 3kif s GLY 69 Ca 0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.20 3kif s GLY 69 CO 0.35 0.47 0.24 1.44 0.00 0.00 0.00 173.10 175.60 3kif n SER 70 N 4.32 1.93 -3.54 1.64 7.64 -1.26 -2.27 113.62 122.08 3kif n SER 70 Ca -0.19 0.37 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 3kif n SER 70 Cb 0.51 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 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 -5.05 -0.46 0.00 0.23 0.00 -1.26 -4.69 107.32 96.09 3kif s GLY 71 Ca -0.27 0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3kif s GLY 71 CO 0.63 0.13 0.00 0.61 0.00 0.00 0.00 173.10 174.47 3kif n GLY 72 N 0.01 0.85 0.31 0.20 0.00 -1.21 -4.93 105.19 100.42 3kif n GLY 72 Ca -0.17 0.00 0.15 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 0.00 -0.23 1.61 4.06 -1.85 -2.22 115.95 117.31 3kif h TRP 73 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3kif h TRP 73 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kif h TRP 73 CO 0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 3kif n SER 74 N -3.99 2.61 -0.08 -3.49 3.41 -1.26 -3.44 113.62 107.38 3kif n SER 74 Ca -0.00 -1.86 0.15 0.00 -0.26 0.00 0.00 58.87 56.90 3kif n SER 74 Cb 0.21 -0.15 0.84 0.00 -0.26 0.00 0.00 64.21 64.85 3kif n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kif n GLY 75 N 1.33 -0.88 3.80 5.00 0.00 -0.84 -4.84 105.19 108.76 3kif n GLY 75 Ca 0.17 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.10 3.84 0.06 1.61 0.08 -1.22 -4.49 117.98 115.75 3kif s PHE 76 Ca 0.43 1.40 -0.10 0.00 0.12 0.00 0.00 56.93 58.78 3kif s PHE 76 Cb 0.21 -2.60 -0.29 0.00 -0.57 0.00 0.00 43.02 39.77 3kif s PHE 76 CO 0.38 0.55 1.11 -0.22 -0.10 0.00 0.00 175.22 176.94 3kif h LYS 77 N 4.52 0.44 -4.69 0.44 3.64 -1.40 -3.47 116.57 116.05 3kif h LYS 77 Ca -0.48 -0.68 -0.29 0.00 -1.27 0.00 0.00 60.65 57.93 3kif h LYS 77 Cb 1.21 0.24 -0.20 0.00 -0.41 0.00 0.00 32.23 33.07 3kif h LYS 77 CO 0.65 1.31 -0.74 -0.06 -2.27 0.00 0.00 179.45 178.34 3kif s PHE 78 N -2.75 0.78 -0.30 1.91 0.08 -1.22 -4.95 117.98 111.52 3kif s PHE 78 Ca -0.07 -0.54 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 3kif s PHE 78 Cb 0.06 -0.46 0.19 0.00 -0.57 0.00 0.00 43.02 42.24 3kif s PHE 78 CO 0.91 -0.07 0.67 -1.17 -0.10 0.00 0.00 175.22 175.47 3kif s LEU 79 N -1.79 -1.28 -0.09 -0.37 2.96 -1.26 -1.72 118.68 115.12 3kif s LEU 79 Ca -0.06 0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 54.17 3kif s LEU 79 Cb -0.08 2.00 0.08 0.00 0.50 0.00 0.00 46.19 48.69 3kif s LEU 79 CO 0.00 -0.24 0.74 0.72 -1.32 0.00 0.00 176.35 176.25 3kif s PHE 80 N 2.87 -0.63 0.06 5.38 -0.71 -0.73 -4.98 117.98 119.24 3kif s PHE 80 Ca 0.16 1.13 -0.21 0.00 -1.04 0.00 0.00 56.93 56.98 3kif s PHE 80 Cb -0.13 0.40 -0.06 0.00 -1.21 0.00 0.00 43.02 42.02 3kif s PHE 80 CO -0.21 -0.54 0.61 -0.06 -1.34 0.00 0.00 175.22 173.68 3kif s PHE 81 N -1.00 3.78 0.34 3.49 0.08 -1.26 0.10 117.98 123.50 3kif s PHE 81 Ca -0.08 1.30 -0.25 0.00 0.12 0.00 0.00 56.93 58.01 3kif s PHE 81 Cb -0.01 -2.57 -0.10 0.00 -0.57 0.00 0.00 43.02 39.77 3kif s PHE 81 CO 0.08 0.50 0.95 -1.58 -0.10 0.00 0.00 175.22 175.07 3kif s HIS 82 N -0.80 3.63 0.61 0.36 5.65 0.09 -4.93 115.29 119.90 3kif s HIS 82 Ca 0.31 1.76 0.27 0.00 0.25 0.00 0.00 55.06 57.64 3kif s HIS 82 Cb -0.20 -2.93 1.34 0.00 -1.18 0.00 0.00 32.58 29.61 3kif s HIS 82 CO 0.19 0.12 1.76 -1.35 -0.65 0.00 0.00 174.74 174.81 3kif h PRO 83 N 3.01 0.00 -0.04 2.88 0.10 -1.98 0.88 132.00 136.85 3kif h PRO 83 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 3kif h PRO 83 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 3kif h PRO 83 CO 0.64 0.00 0.00 0.27 0.10 0.00 0.00 178.00 179.01 3kif n ASN 84 N -3.37 0.28 0.00 -2.05 0.23 -1.26 -4.75 115.26 104.34 3kif n ASN 84 Ca 0.08 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 3kif n ASN 84 Cb 0.75 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 3kif n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kif n GLY 85 N 0.77 0.86 3.76 4.83 0.00 0.30 -5.05 105.19 110.66 3kif n GLY 85 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.87 3.93 -0.22 1.61 1.51 -1.25 -4.46 117.35 115.60 3kif s TYR 86 Ca 0.00 1.79 -0.16 0.00 -1.01 0.00 0.00 57.07 57.69 3kif s TYR 86 Cb 0.00 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 3kif s TYR 86 CO 0.00 0.45 0.39 -1.17 -1.11 0.00 0.00 175.55 174.11 3kif s LEU 87 N -1.00 4.12 0.22 -1.29 2.96 -0.17 -0.73 118.68 122.80 3kif s LEU 87 Ca 0.40 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 3kif s LEU 87 Cb -0.24 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3kif s LEU 87 CO 0.29 -0.10 0.24 -0.31 -1.32 0.00 0.00 176.35 175.15 3kif s TYR 88 N 1.50 3.26 -0.24 5.38 1.51 0.11 -2.10 117.35 126.78 3kif s TYR 88 Ca 0.18 -0.05 -0.25 0.00 -1.01 0.00 0.00 57.07 55.95 3kif s TYR 88 Cb -0.15 -1.50 0.07 0.00 -0.11 0.00 0.00 41.96 40.27 3kif s TYR 88 CO 0.08 0.50 0.69 0.00 -1.11 0.00 0.00 175.55 175.71 3kif s ALA 89 N -1.99 -1.72 -0.22 3.71 0.00 -0.49 -1.78 121.76 119.27 3kif s ALA 89 Ca 0.33 1.89 -0.09 0.00 0.00 0.00 0.00 51.96 54.10 3kif s ALA 89 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 3kif s ALA 89 CO 0.26 -0.33 0.10 0.08 0.00 0.00 0.00 175.76 175.87 3kif s VAL 90 N 0.20 4.91 -0.13 0.00 1.01 -0.70 -0.89 120.40 124.80 3kif s VAL 90 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3kif s VAL 90 Cb -0.04 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3kif s VAL 90 CO 0.02 0.39 -0.18 -0.60 0.00 0.00 0.00 175.10 174.73 3kif s ARG 91 N 0.93 2.56 7.96 2.72 3.52 -0.89 -1.01 118.95 134.74 3kif s ARG 91 Ca 0.05 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3kif s ARG 91 Cb -0.14 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3kif s ARG 91 CO 0.03 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3kif n GLY 92 N 4.32 3.89 0.80 8.12 0.00 -1.26 -1.72 105.19 119.34 3kif n GLY 92 Ca -0.19 0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.91 3kif n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kif n GLN 93 N 13.61 2.92 -4.37 1.61 10.64 -1.26 -4.96 117.38 135.57 3kif n GLN 93 Ca 0.00 -2.27 -0.24 0.00 -1.83 0.00 0.00 57.00 52.66 3kif n GLN 93 Cb 0.00 -1.41 -0.08 0.00 -0.86 0.00 0.00 30.24 27.88 3kif n GLN 93 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3kif s ARG 94 N -1.30 2.03 -0.01 2.61 0.52 -0.70 -5.12 118.95 116.97 3kif s ARG 94 Ca 0.30 -1.62 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3kif s ARG 94 Cb 0.18 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 3kif s ARG 94 CO 0.17 0.30 -0.15 0.12 0.02 0.00 0.00 175.30 175.76 3kif s PHE 95 N -2.44 1.33 0.03 -0.53 5.36 -1.26 -2.10 117.98 118.38 3kif s PHE 95 Ca 0.32 -0.27 -0.00 0.00 -0.96 0.00 0.00 56.93 56.02 3kif s PHE 95 Cb -0.04 -0.86 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 3kif s PHE 95 CO 0.18 -0.04 -0.03 0.71 -1.46 0.00 0.00 175.22 174.58 3kif s TYR 96 N -0.29 0.39 0.05 10.12 1.51 -0.07 -5.00 117.35 124.06 3kif s TYR 96 Ca 0.05 -0.78 -0.07 0.00 -1.01 0.00 0.00 57.07 55.26 3kif s TYR 96 Cb -0.06 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.49 3kif s TYR 96 CO -0.00 -0.27 0.13 -1.59 -1.11 0.00 0.00 175.55 172.71 3kif s LYS 97 N -2.60 0.66 0.00 -0.62 -2.85 -1.26 -1.39 119.74 111.68 3kif s LYS 97 Ca -0.05 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 3kif s LYS 97 Cb -0.02 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 3kif s LYS 97 CO -0.05 -0.18 0.00 0.00 0.10 0.00 0.00 175.35 175.22 3kif n ALA 98 N 0.57 0.00 -1.77 0.59 0.00 -0.89 -4.96 120.51 114.04 3kif n ALA 98 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 3kif n ALA 98 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 3kif n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kif s LEU 99 N 0.00 4.16 1.07 0.00 1.43 -1.26 -1.00 118.68 123.08 3kif s LEU 99 Ca 0.00 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 3kif s LEU 99 Cb 0.00 -3.99 0.20 0.00 0.03 0.00 0.00 46.19 42.43 3kif s LEU 99 CO 0.00 -0.89 0.88 -0.81 0.23 0.00 0.00 176.35 175.77 3kif n PRO 100 N -0.04 -1.56 -1.87 1.29 -0.04 -1.26 -4.82 135.00 126.69 3kif n PRO 100 Ca 0.05 -0.41 -0.29 0.00 -0.04 0.00 0.00 63.50 62.80 3kif n PRO 100 Cb 0.45 -2.15 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 3kif n PRO 100 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kif s PRO 101 N -4.29 2.00 0.00 0.54 0.04 -1.26 -5.03 135.00 127.00 3kif s PRO 101 Ca 0.66 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.86 3kif s PRO 101 Cb -0.23 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kif s PRO 101 CO 0.63 -1.58 0.00 1.55 0.04 0.00 0.00 177.00 177.64 3kif n VAL 102 N -3.32 0.00 -0.91 -0.36 3.14 -1.26 -4.96 118.33 110.67 3kif n VAL 102 Ca 0.08 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3kif n VAL 102 Cb 0.60 0.84 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 3kif n VAL 102 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13