#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kif h SER 11 N 0.00 0.86 -0.08 -1.12 0.87 -2.05 0.17 113.55 112.21 3kif h SER 11 Ca 0.00 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 3kif h SER 11 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3kif h SER 11 CO 0.00 0.67 -0.35 0.44 -0.53 0.00 0.00 176.83 177.06 3kif h ASP 12 N 0.99 0.45 -0.42 6.23 3.45 -2.05 -1.77 116.42 123.31 3kif h ASP 12 Ca 0.26 -0.64 0.09 0.00 0.43 0.00 0.00 57.03 57.17 3kif h ASP 12 Cb -0.03 -0.13 -0.09 0.00 -0.56 0.00 0.00 39.33 38.51 3kif h ASP 12 CO -0.05 1.01 -0.25 -1.13 -1.57 0.00 0.00 179.24 177.25 3kif h ASN 13 N -0.09 -0.85 -0.11 6.45 -1.24 -1.93 0.63 115.58 118.44 3kif h ASN 13 Ca -0.02 0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.17 3kif h ASN 13 Cb 1.00 0.43 -0.01 0.00 0.73 0.00 0.00 38.32 40.47 3kif h ASN 13 CO 0.07 -0.27 0.05 -0.25 -1.29 0.00 0.00 177.43 175.74 3kif h TRP 14 N -0.17 0.08 -0.44 0.67 7.01 -0.68 -2.57 115.95 119.86 3kif h TRP 14 Ca 0.20 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.27 3kif h TRP 14 Cb 0.48 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.46 3kif h TRP 14 CO -0.49 0.05 0.08 0.52 -2.79 0.00 0.00 178.44 175.81 3kif h MET 15 N 0.10 0.21 -0.16 2.65 2.86 -0.96 -2.67 114.93 116.97 3kif h MET 15 Ca 0.04 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3kif h MET 15 Cb 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3kif h MET 15 CO -0.04 0.14 0.18 0.78 1.06 0.00 0.00 176.91 179.03 3kif h GLY 16 N 0.22 0.00 -1.83 8.32 0.00 0.67 -1.55 103.07 108.90 3kif h GLY 16 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kif h GLY 16 CO -0.28 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.80 3kif n ARG 17 N -3.81 2.92 -3.83 4.80 1.74 -1.03 -4.97 116.66 112.48 3kif n ARG 17 Ca 0.01 -2.35 -0.21 0.00 -0.77 0.00 0.00 57.85 54.54 3kif n ARG 17 Cb 0.30 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.21 3.97 -0.13 7.54 0.00 -0.58 -5.04 121.76 126.30 3kif s ALA 18 Ca 0.34 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 3kif s ALA 18 Cb 0.19 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3kif s ALA 18 CO 0.21 0.14 1.38 0.21 0.00 0.00 0.00 175.76 177.70 3kif s LYS 19 N -4.02 4.22 -0.14 0.00 2.20 -1.26 -4.97 119.74 115.77 3kif s LYS 19 Ca 0.38 1.82 -0.29 0.00 -0.36 0.00 0.00 55.97 57.52 3kif s LYS 19 Cb -0.09 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 3kif s LYS 19 CO 0.29 -0.75 1.93 -2.00 -0.36 0.00 0.00 175.35 174.46 3kif s GLU 20 N 3.65 3.69 0.00 4.03 2.12 -1.26 -4.85 118.70 126.08 3kif s GLU 20 Ca 0.60 2.09 0.09 0.00 0.36 0.00 0.00 54.97 58.11 3kif s GLU 20 Cb -0.25 -4.19 0.07 0.00 0.26 0.00 0.00 34.13 30.02 3kif s GLU 20 CO 0.19 -1.45 0.77 0.44 -0.54 0.00 0.00 175.26 174.67 3kif n ILE 21 N 6.57 0.00 -3.67 -3.70 -5.35 -1.26 -4.33 119.36 107.62 3kif n ILE 21 Ca 0.23 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 62.10 3kif n ILE 21 Cb 0.44 1.19 -0.06 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.84 -0.25 -0.08 3.28 0.00 -1.26 -3.99 107.32 104.18 3kif s GLY 22 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.03 3kif s GLY 22 CO 0.13 -0.07 -0.04 -2.01 0.00 0.00 0.00 173.10 171.10 3kif n ASN 23 N 0.32 3.36 -3.58 1.64 4.05 -1.26 -4.90 115.26 114.89 3kif n ASN 23 Ca -0.18 -0.03 -0.06 0.00 0.45 0.00 0.00 54.58 54.76 3kif n ASN 23 Cb 0.61 0.12 -0.02 0.00 1.23 0.00 0.00 39.78 41.72 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 -4.49 -0.38 0.00 8.20 0.00 -1.26 -4.94 107.32 104.45 3kif s GLY 24 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3kif s GLY 24 CO 0.22 0.26 0.00 0.61 0.00 0.00 0.00 173.10 174.18 3kif n GLY 25 N -0.30 3.08 0.30 0.20 0.00 -1.26 -4.89 105.19 102.32 3kif n GLY 25 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.01 1.61 4.06 -1.98 -1.21 115.95 118.42 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 0.02 0.00 -0.40 -3.56 0.00 0.00 178.44 174.50 3kif n ASP 27 N -3.17 0.24 -0.48 -3.49 5.75 -1.26 -3.50 116.55 110.64 3kif n ASP 27 Ca -0.01 -1.23 0.14 0.00 -0.01 0.00 0.00 54.79 53.67 3kif n ASP 27 Cb 0.19 -0.01 0.48 0.00 -1.03 0.00 0.00 41.12 40.76 3kif n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kif n GLN 28 N -0.74 1.59 -2.80 0.11 1.13 -0.46 -4.88 117.38 111.34 3kif n GLN 28 Ca 0.20 -0.96 -0.42 0.00 -1.94 0.00 0.00 57.00 53.88 3kif n GLN 28 Cb 0.13 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 3kif n GLN 28 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3kif s PHE 29 N -2.06 3.50 0.08 1.08 0.08 -1.23 -4.55 117.98 114.88 3kif s PHE 29 Ca 0.36 1.45 -0.07 0.00 0.12 0.00 0.00 56.93 58.79 3kif s PHE 29 Cb 0.21 -3.08 -0.23 0.00 -0.57 0.00 0.00 43.02 39.34 3kif s PHE 29 CO 0.36 -0.18 1.17 0.37 -0.10 0.00 0.00 175.22 176.84 3kif h GLN 30 N 7.11 0.38 -5.00 0.44 4.15 -0.59 -3.46 115.11 118.15 3kif h GLN 30 Ca -0.32 -0.55 -0.35 0.00 0.77 0.00 0.00 58.65 58.20 3kif h GLN 30 Cb 1.15 0.19 -0.21 0.00 0.21 0.00 0.00 27.48 28.82 3kif h GLN 30 CO 0.83 1.23 -0.76 -0.06 -1.93 0.00 0.00 178.83 178.14 3kif s PHE 31 N -2.87 0.98 -0.29 3.99 0.08 -1.24 -4.97 117.98 113.66 3kif s PHE 31 Ca -0.06 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3kif s PHE 31 Cb 0.07 -0.56 0.20 0.00 -0.57 0.00 0.00 43.02 42.16 3kif s PHE 31 CO 0.89 -0.01 0.61 -1.17 -0.10 0.00 0.00 175.22 175.45 3kif s LEU 32 N -1.70 -1.52 0.22 -0.37 2.96 -1.26 -1.22 118.68 115.80 3kif s LEU 32 Ca -0.05 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.07 3kif s LEU 32 Cb -0.10 2.05 0.02 0.00 0.50 0.00 0.00 46.19 48.66 3kif s LEU 32 CO 0.01 -0.28 0.55 0.72 -1.32 0.00 0.00 176.35 176.03 3kif s PHE 33 N 2.84 -0.06 0.15 5.38 -0.71 -0.55 -4.99 117.98 120.04 3kif s PHE 33 Ca 0.14 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 3kif s PHE 33 Cb -0.11 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 3kif s PHE 33 CO -0.24 -0.98 0.29 -0.06 -1.34 0.00 0.00 175.22 172.89 3kif s PHE 34 N -3.90 3.49 0.54 3.49 0.08 -1.26 -0.30 117.98 120.12 3kif s PHE 34 Ca 0.11 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.35 3kif s PHE 34 Cb -0.02 -1.69 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 3kif s PHE 34 CO 0.00 0.51 0.75 0.16 -0.10 0.00 0.00 175.22 176.54 3kif s ASP 35 N -3.20 5.22 0.61 1.36 1.47 -0.64 -4.56 116.67 116.94 3kif s ASP 35 Ca 0.35 -0.34 0.29 0.00 1.18 0.00 0.00 52.55 54.03 3kif s ASP 35 Cb -0.11 -0.47 1.56 0.00 -0.34 0.00 0.00 42.92 43.56 3kif s ASP 35 CO 0.29 -1.17 1.96 -0.65 0.68 0.00 0.00 175.17 176.27 3kif h PRO 36 N 0.17 0.00 -0.01 2.11 0.11 -1.87 -1.41 132.00 131.10 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 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kif h PRO 36 CO 0.46 0.00 -0.43 0.09 -0.21 0.00 0.00 178.00 177.91 3kif n ASN 37 N -3.55 1.49 0.00 -2.05 4.13 -1.26 -4.95 115.26 109.07 3kif n ASN 37 Ca 0.04 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 55.13 3kif n ASN 37 Cb 0.52 0.38 0.00 0.00 -1.54 0.00 0.00 39.78 39.13 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 1.40 0.82 3.77 7.41 0.00 -0.53 -5.07 105.19 112.99 3kif n GLY 38 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 3.13 -0.19 1.61 2.02 -1.26 -4.36 117.35 116.29 3kif s TYR 39 Ca 0.00 1.57 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 3kif s TYR 39 Cb 0.00 -3.38 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 3kif s TYR 39 CO 0.00 -1.22 0.24 -1.17 -1.57 0.00 0.00 175.55 171.83 3kif s LEU 40 N -2.37 4.20 0.15 -1.29 2.96 0.12 -1.62 118.68 120.83 3kif s LEU 40 Ca 0.56 0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3kif s LEU 40 Cb -0.31 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3kif s LEU 40 CO 0.39 0.09 0.02 -0.31 -1.32 0.00 0.00 176.35 175.22 3kif s TYR 41 N 0.65 2.92 -0.10 5.38 1.51 0.59 -1.22 117.35 127.08 3kif s TYR 41 Ca 0.13 -0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 55.85 3kif s TYR 41 Cb -0.13 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.35 3kif s TYR 41 CO 0.03 0.51 0.59 0.00 -1.11 0.00 0.00 175.55 175.56 3kif s ALA 42 N -1.63 -1.49 -0.08 3.71 0.00 -0.54 -1.49 121.76 120.24 3kif s ALA 42 Ca 0.27 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.55 3kif s ALA 42 Cb -0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 3kif s ALA 42 CO 0.19 -0.32 -0.23 0.08 0.00 0.00 0.00 175.76 175.48 3kif s VAL 43 N -0.70 1.92 0.16 0.00 1.01 -0.36 -0.53 120.40 121.91 3kif s VAL 43 Ca -0.08 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 3kif s VAL 43 Cb -0.02 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.76 3kif s VAL 43 CO 0.06 0.53 0.57 -0.94 0.00 0.00 0.00 175.10 175.32 3kif s SER 44 N 0.23 -0.50 0.00 3.32 1.04 -0.92 0.20 113.70 117.06 3kif s SER 44 Ca -0.14 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3kif s SER 44 Cb -0.16 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3kif s SER 44 CO 0.07 -0.96 0.00 0.59 0.98 0.00 0.00 173.24 173.91 3kif n ASN 45 N -0.36 0.00 -2.24 7.02 4.13 -1.26 -0.81 115.26 121.74 3kif n ASN 45 Ca -0.16 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.83 3kif n ASN 45 Cb 0.65 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 39.03 3kif n ASN 45 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3kif n ASP 46 N -1.79 4.92 -4.31 6.41 2.03 -1.26 -4.42 116.55 118.13 3kif n ASP 46 Ca 0.00 -3.64 -0.24 0.00 0.52 0.00 0.00 54.79 51.43 3kif n ASP 46 Cb 0.00 -0.88 -0.12 0.00 -0.72 0.00 0.00 41.12 39.40 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 -3.41 1.21 -0.20 -0.67 1.02 0.01 -2.11 119.74 115.58 3kif s LYS 47 Ca 0.59 -1.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.28 3kif s LYS 47 Cb 0.48 -1.44 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 3kif s LYS 47 CO 0.07 0.32 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.61 3kif s LEU 48 N -2.15 2.94 0.12 3.17 2.96 -0.95 -2.17 118.68 122.60 3kif s LEU 48 Ca 0.10 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3kif s LEU 48 Cb -0.09 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3kif s LEU 48 CO 0.05 0.04 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.68 3kif s TYR 49 N 1.15 2.64 -0.04 5.38 2.02 0.31 0.05 117.35 128.86 3kif s TYR 49 Ca 0.02 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kif s TYR 49 Cb -0.14 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3kif s TYR 49 CO -0.01 0.43 0.06 0.21 -1.57 0.00 0.00 175.55 174.67 3kif s LYS 50 N -2.29 -0.04 0.34 -0.62 2.20 -0.59 -1.47 119.74 117.28 3kif s LYS 50 Ca 0.21 0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.97 3kif s LYS 50 Cb -0.10 -0.35 0.04 0.00 -1.51 0.00 0.00 37.83 35.90 3kif s LYS 50 CO 0.13 -0.25 0.73 0.00 -0.36 0.00 0.00 175.35 175.60 3kif s ALA 51 N 1.64 -0.78 0.42 3.13 0.00 -0.36 -2.43 121.76 123.39 3kif s ALA 51 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 3kif s ALA 51 Cb -0.12 0.78 -0.08 0.00 0.00 0.00 0.00 23.12 23.69 3kif s ALA 51 CO -0.04 -0.99 1.28 -1.54 0.00 0.00 0.00 175.76 174.48 3kif s SER 52 N -3.03 6.26 0.96 0.00 1.04 -1.26 0.15 113.70 117.82 3kif s SER 52 Ca 0.15 2.59 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 3kif s SER 52 Cb -0.05 -2.63 0.11 0.00 0.10 0.00 0.00 66.02 63.55 3kif s SER 52 CO 0.10 -0.88 0.80 -0.81 0.98 0.00 0.00 173.24 173.44 3kif n PRO 53 N -0.00 -0.58 -1.89 4.02 -0.04 -1.26 -4.81 135.00 130.45 3kif n PRO 53 Ca 0.04 -0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 3kif n PRO 53 Cb 0.44 -2.13 0.05 0.00 -0.04 0.00 0.00 33.50 31.82 3kif n PRO 53 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kif s PRO 54 N -4.18 2.77 0.00 0.54 0.04 -1.26 -5.04 135.00 127.87 3kif s PRO 54 Ca 0.63 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3kif s PRO 54 Cb -0.22 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3kif s PRO 54 CO 0.63 -1.09 0.11 1.04 0.04 0.00 0.00 177.00 177.73 3kif n GLN 55 N -3.04 0.73 -3.72 4.56 6.02 -1.26 -4.98 117.38 115.70 3kif n GLN 55 Ca 0.07 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.86 3kif n GLN 55 Cb 0.58 -0.49 -0.02 0.00 1.02 0.00 0.00 30.24 31.32 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 -0.14 -0.36 0.00 1.08 1.04 -1.26 -4.75 113.70 109.32 3kif s SER 56 Ca 0.00 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.06 3kif s SER 56 Cb 0.00 0.68 0.18 0.00 0.10 0.00 0.00 66.02 66.98 3kif s SER 56 CO 0.00 -1.22 1.12 0.47 0.98 0.00 0.00 173.24 174.59 3kif n ASP 57 N -0.43 0.00 -0.04 7.02 8.00 -1.26 -1.55 116.55 128.29 3kif n ASP 57 Ca -0.08 0.48 0.14 0.00 0.71 0.00 0.00 54.79 56.03 3kif n ASP 57 Cb 0.61 -0.48 0.53 0.00 -0.02 0.00 0.00 41.12 41.76 3kif n ASP 57 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kif n THR 58 N -1.48 0.00 -3.16 -3.53 -2.24 -1.26 -4.65 114.28 97.95 3kif n THR 58 Ca 0.01 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3kif n THR 58 Cb 0.05 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.79 6.35 -0.83 3.42 -1.08 -0.60 -4.97 116.67 116.18 3kif s ASP 59 Ca 0.19 -0.11 -0.21 0.00 -0.52 0.00 0.00 52.55 51.90 3kif s ASP 59 Cb 0.19 -2.30 0.10 0.00 -1.46 0.00 0.00 42.92 39.45 3kif s ASP 59 CO 0.55 -0.62 1.10 0.21 0.52 0.00 0.00 175.17 176.93 3kif s ASN 60 N 1.85 6.42 0.01 -0.34 3.84 -1.26 -4.87 114.94 120.59 3kif s ASN 60 Ca 0.21 -1.52 -0.22 0.00 0.21 0.00 0.00 52.86 51.54 3kif s ASN 60 Cb -0.15 -2.43 -0.17 0.00 -0.55 0.00 0.00 41.25 37.95 3kif s ASN 60 CO 0.16 -1.28 1.27 -0.25 -2.79 0.00 0.00 177.10 174.20 3kif h TRP 61 N 9.26 0.34 -0.52 0.43 7.01 -1.95 -2.62 115.95 127.90 3kif h TRP 61 Ca -0.03 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 60.87 3kif h TRP 61 Cb 1.04 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 3kif h TRP 61 CO 1.10 0.76 0.34 0.97 -2.79 0.00 0.00 178.44 178.82 3kif h ILE 62 N -0.17 1.10 0.00 2.65 6.09 -1.95 -1.59 117.51 123.64 3kif h ILE 62 Ca 0.01 -0.23 -0.09 0.00 -1.37 0.00 0.00 64.86 63.18 3kif h ILE 62 Cb 0.73 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 3kif h ILE 62 CO 0.04 0.12 -0.41 0.00 -3.07 0.00 0.00 178.15 174.83 3kif h ALA 63 N 1.69 1.20 -0.01 0.18 0.00 -1.95 -3.13 119.26 117.24 3kif h ALA 63 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kif h ALA 63 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kif h ALA 63 CO -0.05 0.51 -0.27 2.89 0.00 0.00 0.00 179.25 182.33 3kif n ARG 64 N -3.87 0.99 -2.76 0.00 1.85 -0.67 -4.97 116.66 107.22 3kif n ARG 64 Ca -0.01 -0.64 -0.40 0.00 -1.00 0.00 0.00 57.85 55.80 3kif n ARG 64 Cb 0.46 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.33 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 -2.45 3.34 0.16 2.89 0.00 -0.79 -4.93 121.76 119.99 3kif s ALA 65 Ca 0.24 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3kif s ALA 65 Cb 0.19 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3kif s ALA 65 CO 0.51 0.20 0.97 0.99 0.00 0.00 0.00 175.76 178.43 3kif s THR 66 N -1.11 4.29 -0.18 0.00 2.01 -1.02 -4.81 115.64 114.82 3kif s THR 66 Ca 0.41 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 64.14 3kif s THR 66 Cb -0.26 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 67.95 3kif s THR 66 CO 0.31 0.37 1.27 -0.70 -0.69 0.00 0.00 174.62 175.19 3kif s GLU 67 N -0.42 4.19 0.00 4.92 2.12 -1.26 -1.54 118.70 126.71 3kif s GLU 67 Ca 0.45 1.62 0.08 0.00 0.36 0.00 0.00 54.97 57.49 3kif s GLU 67 Cb -0.25 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.37 3kif s GLU 67 CO 0.31 -0.76 0.60 0.44 -0.54 0.00 0.00 175.26 175.32 3kif n ILE 68 N 5.48 0.00 -3.71 -3.70 -5.35 0.11 -4.66 119.36 107.53 3kif n ILE 68 Ca 0.14 -0.43 -0.17 0.00 -0.27 0.00 0.00 62.75 62.02 3kif n ILE 68 Cb 0.45 1.11 -0.17 0.00 -1.74 0.00 0.00 39.64 39.30 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 -1.14 0.13 -0.12 3.28 0.00 -0.99 -4.03 107.32 104.44 3kif s GLY 69 Ca 0.07 0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.92 3kif s GLY 69 CO 0.20 1.19 0.58 1.76 0.00 0.00 0.00 173.10 176.82 3kif h SER 70 N 7.96 -0.01 -5.09 1.64 0.02 -1.89 -2.53 113.55 113.65 3kif h SER 70 Ca -0.26 -0.68 -0.06 0.00 -0.84 0.00 0.00 61.79 59.95 3kif h SER 70 Cb 1.12 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.53 3kif h SER 70 CO 0.28 0.82 -0.14 -0.83 -1.14 0.00 0.00 176.83 175.81 3kif s GLY 71 N -3.96 -0.19 0.00 -3.77 0.00 -1.23 -4.49 107.32 93.67 3kif s GLY 71 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3kif s GLY 71 CO 0.49 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.80 3kif n GLY 72 N -0.15 0.96 0.30 0.20 0.00 -1.14 -4.95 105.19 100.41 3kif n GLY 72 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.18 1.61 4.06 -1.76 -2.05 115.95 117.63 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 0.03 0.00 -1.13 -3.56 0.00 0.00 178.44 173.78 3kif n SER 74 N -3.22 2.54 0.00 -3.49 3.41 -1.26 -3.60 113.62 107.99 3kif n SER 74 Ca -0.01 -1.84 0.10 0.00 -0.26 0.00 0.00 58.87 56.86 3kif n SER 74 Cb 0.21 -0.11 0.52 0.00 -0.26 0.00 0.00 64.21 64.58 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 1.31 -0.90 3.81 5.00 0.00 -0.77 -4.84 105.19 108.80 3kif n GLY 75 Ca 0.17 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.48 3.63 0.10 1.61 0.08 -1.24 -4.51 117.98 115.18 3kif s PHE 76 Ca 0.21 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.75 3kif s PHE 76 Cb 0.14 -2.70 -0.24 0.00 -0.57 0.00 0.00 43.02 39.65 3kif s PHE 76 CO 0.30 0.28 1.21 -0.22 -0.10 0.00 0.00 175.22 176.68 3kif h LYS 77 N 3.24 0.15 -3.40 0.44 3.64 -1.51 -3.48 116.57 115.67 3kif h LYS 77 Ca -0.48 -0.26 -0.19 0.00 -1.27 0.00 0.00 60.65 58.46 3kif h LYS 77 Cb 1.19 0.10 -0.26 0.00 -0.41 0.00 0.00 32.23 32.84 3kif h LYS 77 CO 0.65 1.12 -0.55 -0.06 -2.27 0.00 0.00 179.45 178.34 3kif s PHE 78 N -2.70 -0.15 -0.27 1.91 0.08 -1.24 -4.97 117.98 110.65 3kif s PHE 78 Ca -0.02 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 3kif s PHE 78 Cb 0.08 0.05 0.16 0.00 -0.57 0.00 0.00 43.02 42.74 3kif s PHE 78 CO 0.85 -0.08 0.48 -1.17 -0.10 0.00 0.00 175.22 175.20 3kif s LEU 79 N 0.01 -0.98 -0.03 -0.37 2.96 -1.26 -2.14 118.68 116.88 3kif s LEU 79 Ca -0.01 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.16 3kif s LEU 79 Cb -0.01 1.60 0.09 0.00 0.50 0.00 0.00 46.19 48.37 3kif s LEU 79 CO 0.00 -0.28 0.76 0.72 -1.32 0.00 0.00 176.35 176.24 3kif s PHE 80 N 2.69 -0.53 -0.09 5.38 -0.71 -0.37 -4.97 117.98 119.37 3kif s PHE 80 Ca 0.16 0.76 -0.15 0.00 -1.04 0.00 0.00 56.93 56.66 3kif s PHE 80 Cb -0.15 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.07 3kif s PHE 80 CO -0.18 -0.58 0.37 -0.06 -1.34 0.00 0.00 175.22 173.43 3kif s PHE 81 N -1.87 3.57 0.51 3.49 0.08 -1.26 0.25 117.98 122.75 3kif s PHE 81 Ca -0.05 0.80 -0.19 0.00 0.12 0.00 0.00 56.93 57.61 3kif s PHE 81 Cb -0.00 -2.36 -0.07 0.00 -0.57 0.00 0.00 43.02 40.01 3kif s PHE 81 CO 0.02 0.38 1.06 -1.58 -0.10 0.00 0.00 175.22 174.99 3kif s HIS 82 N -0.07 2.94 0.56 0.36 5.65 0.76 -4.94 115.29 120.55 3kif s HIS 82 Ca 0.21 1.56 0.32 0.00 0.25 0.00 0.00 55.06 57.40 3kif s HIS 82 Cb -0.15 -3.10 1.46 0.00 -1.18 0.00 0.00 32.58 29.62 3kif s HIS 82 CO 0.09 -1.00 1.83 -1.35 -0.65 0.00 0.00 174.74 173.65 3kif h PRO 83 N 1.33 0.00 -0.12 2.88 0.11 -1.98 -1.76 132.00 132.46 3kif h PRO 83 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kif h PRO 83 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kif h PRO 83 CO 0.58 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.64 3kif n ASN 84 N -4.00 0.64 0.00 -2.05 0.23 -1.26 -4.80 115.26 104.02 3kif n ASN 84 Ca 0.18 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3kif n ASN 84 Cb 1.00 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 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 0.71 0.91 3.79 4.83 0.00 -0.66 -5.05 105.19 109.72 3kif n GLY 85 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.65 3.51 -0.22 1.61 1.51 -1.26 -4.45 117.35 115.40 3kif s TYR 86 Ca 0.00 1.71 -0.08 0.00 -1.01 0.00 0.00 57.07 57.70 3kif s TYR 86 Cb 0.00 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.86 3kif s TYR 86 CO 0.00 -0.04 0.08 -1.17 -1.11 0.00 0.00 175.55 173.31 3kif s LEU 87 N -2.45 3.70 0.03 -1.29 2.96 -0.22 -0.17 118.68 121.23 3kif s LEU 87 Ca 0.55 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3kif s LEU 87 Cb -0.17 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3kif s LEU 87 CO 0.22 0.08 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.99 3kif s TYR 88 N 0.96 2.97 -0.09 5.38 1.51 0.14 -2.10 117.35 126.11 3kif s TYR 88 Ca 0.04 -0.00 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 3kif s TYR 88 Cb -0.14 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3kif s TYR 88 CO 0.03 0.43 0.25 0.00 -1.11 0.00 0.00 175.55 175.15 3kif s ALA 89 N -1.12 -0.62 -0.20 3.71 0.00 0.26 -1.23 121.76 122.56 3kif s ALA 89 Ca 0.20 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 3kif s ALA 89 Cb -0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 3kif s ALA 89 CO 0.12 -0.12 0.20 0.08 0.00 0.00 0.00 175.76 176.04 3kif s VAL 90 N 0.19 5.36 -0.12 0.00 1.01 -0.91 -0.28 120.40 125.65 3kif s VAL 90 Ca -0.00 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kif s VAL 90 Cb -0.02 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3kif s VAL 90 CO -0.00 0.39 -0.12 -0.60 0.00 0.00 0.00 175.10 174.77 3kif s ARG 91 N 0.60 1.95 7.93 2.72 3.52 0.10 -1.26 118.95 134.51 3kif s ARG 91 Ca 0.11 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3kif s ARG 91 Cb -0.12 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 3kif s ARG 91 CO 0.02 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 3kif n GLY 92 N 4.54 3.75 0.64 8.12 0.00 -1.26 -1.45 105.19 119.53 3kif n GLY 92 Ca -0.17 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 13.54 2.88 -4.33 1.61 10.64 -1.26 -4.96 117.38 135.50 3kif n GLN 93 Ca 0.00 -2.08 -0.23 0.00 -1.83 0.00 0.00 57.00 52.85 3kif n GLN 93 Cb 0.00 -1.30 -0.08 0.00 -0.86 0.00 0.00 30.24 28.01 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 -1.11 2.17 -0.00 2.61 0.52 -0.52 -5.13 118.95 117.48 3kif s ARG 94 Ca 0.24 -1.48 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 3kif s ARG 94 Cb 0.13 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 3kif s ARG 94 CO 0.15 0.36 -0.08 0.12 0.02 0.00 0.00 175.30 175.87 3kif s PHE 95 N -2.34 0.70 0.02 -0.53 5.36 -1.26 -0.72 117.98 119.21 3kif s PHE 95 Ca 0.31 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 56.05 3kif s PHE 95 Cb -0.06 -0.45 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 3kif s PHE 95 CO 0.19 -0.01 0.14 0.71 -1.46 0.00 0.00 175.22 174.79 3kif s TYR 96 N -0.24 0.07 0.03 10.12 1.51 0.61 -5.00 117.35 124.46 3kif s TYR 96 Ca 0.02 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3kif s TYR 96 Cb -0.03 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 3kif s TYR 96 CO -0.00 -0.33 -0.03 -1.59 -1.11 0.00 0.00 175.55 172.48 3kif s LYS 97 N -1.87 0.46 0.00 -0.62 -2.85 -1.26 -0.57 119.74 113.02 3kif s LYS 97 Ca -0.11 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 3kif s LYS 97 Cb -0.05 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3kif s LYS 97 CO -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 175.35 175.36 3kif n ALA 98 N 0.86 0.00 -1.77 0.59 0.00 -0.89 -4.96 120.51 114.33 3kif n ALA 98 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 3kif n ALA 98 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 4.07 1.03 0.00 1.43 -1.26 -1.06 118.68 122.89 3kif s LEU 99 Ca 0.00 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3kif s LEU 99 Cb 0.00 -4.20 0.21 0.00 0.03 0.00 0.00 46.19 42.23 3kif s LEU 99 CO 0.00 -0.75 1.09 -2.16 0.23 0.00 0.00 176.35 174.75 3kif s PRO 100 N -2.59 0.12 1.01 1.29 0.04 -1.26 -4.84 135.00 128.76 3kif s PRO 100 Ca 0.61 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 3kif s PRO 100 Cb -0.27 -1.65 0.23 0.00 0.04 0.00 0.00 34.50 32.85 3kif s PRO 100 CO 0.33 -3.12 1.33 -1.25 0.04 0.00 0.00 177.00 174.33 3kif s PRO 101 N -4.58 0.28 0.00 0.56 0.04 -1.26 -5.04 135.00 124.99 3kif s PRO 101 Ca 0.67 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.23 3kif s PRO 101 Cb -0.23 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3kif s PRO 101 CO 0.61 -2.65 0.00 1.55 0.04 0.00 0.00 177.00 176.55 3kif n VAL 102 N -3.92 0.00 -0.37 -0.36 3.14 -1.26 -5.00 118.33 110.57 3kif n VAL 102 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3kif n VAL 102 Cb 0.59 0.60 0.00 0.00 -1.06 0.00 0.00 33.84 33.97 3kif n VAL 102 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13