#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 4.39 0.00 1.64 2.12 -1.26 -4.91 118.70 120.68 3kif s GLU 20 Ca 0.00 1.64 0.05 0.00 0.36 0.00 0.00 54.97 57.02 3kif s GLU 20 Cb 0.00 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3kif s GLU 20 CO 0.00 -0.36 0.46 0.44 -0.54 0.00 0.00 175.26 175.26 3kif n ILE 21 N 4.41 0.00 -3.56 -3.70 -5.35 -1.26 -5.06 119.36 104.84 3kif n ILE 21 Ca 0.10 -0.46 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 3kif n ILE 21 Cb 0.47 1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.32 -0.39 3.28 0.00 -1.26 -4.66 107.32 103.12 3kif s GLY 22 Ca 0.04 1.80 0.10 0.00 0.00 0.00 0.00 44.72 46.66 3kif s GLY 22 CO 0.11 0.90 0.65 -2.01 0.00 0.00 0.00 173.10 172.75 3kif n ASN 23 N 0.56 0.74 0.00 1.64 4.05 -1.26 -4.99 115.26 116.00 3kif n ASN 23 Ca -0.10 -2.91 0.00 0.00 0.45 0.00 0.00 54.58 52.02 3kif n ASN 23 Cb 0.58 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.97 3kif n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kif n GLY 24 N 0.75 2.32 1.71 8.20 0.00 -1.26 -4.99 105.19 111.92 3kif n GLY 24 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kif n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kif n GLY 25 N 0.00 0.79 0.27 -0.02 0.00 -1.26 -4.90 105.19 100.07 3kif n GLY 25 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.00 1.61 4.06 -1.94 -0.33 115.95 119.35 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 0.06 -0.03 -0.40 -3.56 0.00 0.00 178.44 174.51 3kif n ASP 27 N -3.22 0.35 0.06 -3.49 3.85 -1.26 -3.88 116.55 108.96 3kif n ASP 27 Ca -0.00 -0.81 0.12 0.00 -0.71 0.00 0.00 54.79 53.38 3kif n ASP 27 Cb 0.30 -0.07 0.18 0.00 -1.35 0.00 0.00 41.12 40.18 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 -0.86 0.29 -2.10 0.11 6.02 -0.14 -4.90 117.38 115.81 3kif n GLN 28 Ca 0.19 0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.90 3kif n GLN 28 Cb 0.21 -1.69 0.02 0.00 1.02 0.00 0.00 30.24 29.81 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 -3.16 2.55 0.06 1.08 0.40 -1.25 -4.82 117.98 112.84 3kif s PHE 29 Ca 0.06 1.51 0.09 0.00 -0.60 0.00 0.00 56.93 57.99 3kif s PHE 29 Cb 0.13 -3.46 -0.16 0.00 0.51 0.00 0.00 43.02 40.05 3kif s PHE 29 CO 0.72 -2.00 1.30 1.96 0.70 0.00 0.00 175.22 177.91 3kif h GLN 30 N 1.31 0.00 -3.37 0.44 1.08 -0.89 -3.47 115.11 110.21 3kif h GLN 30 Ca -0.50 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.62 3kif h GLN 30 Cb 1.28 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.55 3kif h GLN 30 CO 0.57 0.89 -0.21 -0.06 -0.95 0.00 0.00 178.83 179.07 3kif s PHE 31 N -2.76 -0.10 -0.29 2.96 0.40 -1.24 -4.98 117.98 111.97 3kif s PHE 31 Ca 0.02 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3kif s PHE 31 Cb 0.09 0.12 0.19 0.00 0.51 0.00 0.00 43.02 43.94 3kif s PHE 31 CO 0.81 -0.56 0.71 -1.17 0.70 0.00 0.00 175.22 175.71 3kif s LEU 32 N -2.34 -1.29 0.16 -0.37 2.96 -1.26 -1.49 118.68 115.06 3kif s LEU 32 Ca -0.02 0.26 -0.23 0.00 -0.22 0.00 0.00 54.13 53.92 3kif s LEU 32 Cb 0.01 1.86 0.07 0.00 0.50 0.00 0.00 46.19 48.62 3kif s LEU 32 CO -0.06 -0.24 0.65 0.72 -1.32 0.00 0.00 176.35 176.10 3kif s PHE 33 N 2.87 -0.47 -0.02 5.38 -0.71 -0.95 -4.98 117.98 119.10 3kif s PHE 33 Ca 0.15 0.23 -0.03 0.00 -1.04 0.00 0.00 56.93 56.24 3kif s PHE 33 Cb -0.09 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 3kif s PHE 33 CO -0.24 -0.88 0.16 -0.06 -1.34 0.00 0.00 175.22 172.87 3kif s PHE 34 N -3.71 3.52 0.95 3.49 0.08 -1.26 0.71 117.98 121.76 3kif s PHE 34 Ca 0.03 0.36 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 3kif s PHE 34 Cb -0.02 -1.83 -0.14 0.00 -0.57 0.00 0.00 43.02 40.46 3kif s PHE 34 CO -0.10 0.65 -0.76 -0.25 -0.10 0.00 0.00 175.22 174.66 3kif n ASP 35 N 1.10 -5.75 0.27 1.36 9.92 0.06 -4.92 116.55 118.58 3kif n ASP 35 Ca -0.12 0.19 0.15 0.00 -0.53 0.00 0.00 54.79 54.48 3kif n ASP 35 Cb 0.53 -0.73 0.75 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.93 0.00 -0.65 -0.24 0.11 -2.00 -2.33 132.00 125.96 3kif h PRO 36 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kif h PRO 36 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kif h PRO 36 CO 0.23 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.19 3kif n ASN 37 N -3.35 3.93 -0.01 -2.05 3.02 -1.26 -4.94 115.26 110.60 3kif n ASN 37 Ca -0.01 -2.21 -0.00 0.00 -0.03 0.00 0.00 54.58 52.33 3kif n ASN 37 Cb 0.26 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.28 0.44 3.74 7.41 0.00 -0.87 -5.02 105.19 112.16 3kif n GLY 38 Ca 0.23 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 3.74 -0.02 1.61 2.02 -1.26 -4.56 117.35 116.88 3kif s TYR 39 Ca 0.00 1.51 -0.28 0.00 -0.37 0.00 0.00 57.07 57.92 3kif s TYR 39 Cb 0.00 -2.85 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 3kif s TYR 39 CO 0.00 0.25 0.90 -1.17 -1.57 0.00 0.00 175.55 173.96 3kif s LEU 40 N -0.00 4.36 0.10 -1.29 2.96 0.97 -0.76 118.68 125.02 3kif s LEU 40 Ca 0.40 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.88 3kif s LEU 40 Cb -0.21 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3kif s LEU 40 CO 0.24 -0.21 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.73 3kif s TYR 41 N 0.91 2.94 -0.13 5.38 1.51 0.22 -2.18 117.35 126.01 3kif s TYR 41 Ca 0.48 -0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.38 3kif s TYR 41 Cb -0.20 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.18 3kif s TYR 41 CO 0.25 0.48 0.33 0.00 -1.11 0.00 0.00 175.55 175.50 3kif s ALA 42 N -1.35 -0.83 -0.19 3.71 0.00 -0.49 -2.23 121.76 120.39 3kif s ALA 42 Ca 0.25 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.28 3kif s ALA 42 Cb -0.11 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3kif s ALA 42 CO 0.18 -0.19 -0.06 0.08 0.00 0.00 0.00 175.76 175.77 3kif s VAL 43 N 0.68 3.45 -0.16 0.00 1.01 -0.55 -0.76 120.40 124.07 3kif s VAL 43 Ca -0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3kif s VAL 43 Cb -0.05 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.86 3kif s VAL 43 CO -0.04 0.46 0.35 -0.55 0.00 0.00 0.00 175.10 175.32 3kif s SER 44 N 0.98 -0.25 -1.60 3.32 0.15 -0.61 -0.15 113.70 115.54 3kif s SER 44 Ca -0.00 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 3kif s SER 44 Cb -0.15 0.81 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 3kif s SER 44 CO 0.00 -0.20 0.53 0.59 1.20 0.00 0.00 173.24 175.36 3kif n ASN 45 N 4.70 -6.13 0.00 5.45 3.02 -1.26 -1.90 115.26 119.14 3kif n ASN 45 Ca -0.17 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 3kif n ASN 45 Cb 0.52 -4.97 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 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 -2.46 0.00 -4.85 6.41 2.03 -1.26 -5.00 116.55 111.42 3kif n ASP 46 Ca -0.13 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.96 3kif n ASP 46 Cb 0.63 -0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.02 2.84 -0.04 -0.67 1.02 -0.80 -5.14 119.74 116.93 3kif s LYS 47 Ca 0.00 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 54.85 3kif s LYS 47 Cb 0.00 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3kif s LYS 47 CO 0.00 0.23 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.38 3kif s LEU 48 N -3.94 1.74 0.16 3.17 2.96 -1.26 -1.57 118.68 119.95 3kif s LEU 48 Ca 0.37 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 3kif s LEU 48 Cb -0.07 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3kif s LEU 48 CO 0.26 0.07 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.90 3kif s TYR 49 N 0.34 1.60 -0.11 5.38 1.51 0.06 -4.96 117.35 121.16 3kif s TYR 49 Ca -0.07 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 3kif s TYR 49 Cb -0.12 -0.79 0.06 0.00 -0.11 0.00 0.00 41.96 41.00 3kif s TYR 49 CO 0.02 0.26 0.22 0.21 -1.11 0.00 0.00 175.55 175.15 3kif s LYS 50 N -3.13 0.11 0.14 -0.62 2.20 -1.26 -1.40 119.74 115.79 3kif s LYS 50 Ca 0.16 0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 56.18 3kif s LYS 50 Cb -0.03 -0.12 0.07 0.00 -1.51 0.00 0.00 37.83 36.24 3kif s LYS 50 CO 0.05 -0.28 0.74 0.00 -0.36 0.00 0.00 175.35 175.50 3kif s ALA 51 N 2.24 -1.59 0.73 3.13 0.00 -0.93 -5.00 121.76 120.34 3kif s ALA 51 Ca 0.01 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 3kif s ALA 51 Cb -0.12 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.77 3kif s ALA 51 CO -0.08 -0.84 1.18 -1.54 0.00 0.00 0.00 175.76 174.49 3kif s SER 52 N -2.74 4.30 0.75 0.00 1.04 -1.26 -0.02 113.70 115.77 3kif s SER 52 Ca 0.05 2.26 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 3kif s SER 52 Cb -0.02 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.57 3kif s SER 52 CO -0.06 -2.19 1.10 -2.16 0.98 0.00 0.00 173.24 170.91 3kif s PRO 53 N -4.02 2.32 0.29 4.02 0.04 -1.26 -4.74 135.00 131.64 3kif s PRO 53 Ca 0.72 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 3kif s PRO 53 Cb -0.27 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 3kif s PRO 53 CO 0.46 -1.61 1.28 -1.25 0.04 0.00 0.00 177.00 175.91 3kif s PRO 54 N -4.66 4.41 -1.07 0.56 0.04 -1.26 -3.92 135.00 129.09 3kif s PRO 54 Ca 0.63 2.10 -0.01 0.00 0.04 0.00 0.00 61.00 63.76 3kif s PRO 54 Cb -0.19 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3kif s PRO 54 CO 0.52 -0.14 0.90 1.04 0.04 0.00 0.00 177.00 179.36 3kif n GLN 55 N 1.39 -6.00 -1.46 4.56 6.02 -1.26 -4.89 117.38 115.74 3kif n GLN 55 Ca 0.02 0.74 -0.30 0.00 -0.01 0.00 0.00 57.00 57.44 3kif n GLN 55 Cb 0.42 -5.45 0.09 0.00 1.02 0.00 0.00 30.24 26.32 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 -4.04 4.59 0.30 1.08 1.04 -1.25 -5.00 113.70 110.42 3kif s SER 56 Ca 0.09 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.11 3kif s SER 56 Cb -0.04 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 3kif s SER 56 CO 0.64 -1.93 -0.08 -1.81 0.98 0.00 0.00 173.24 171.04 3kif s ASP 57 N -3.73 4.01 0.29 7.02 1.01 -1.26 -5.10 116.67 118.92 3kif s ASP 57 Ca 0.60 -0.95 -0.30 0.00 0.71 0.00 0.00 52.55 52.62 3kif s ASP 57 Cb -0.15 -0.51 -0.12 0.00 1.01 0.00 0.00 42.92 43.15 3kif s ASP 57 CO 0.55 -0.08 1.58 0.41 0.21 0.00 0.00 175.17 177.84 3kif n THR 58 N -0.81 1.05 -0.07 -1.27 -1.04 -1.26 -4.97 114.28 105.91 3kif n THR 58 Ca -0.05 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.54 3kif n THR 58 Cb 0.61 -1.93 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 3kif n THR 58 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3kif h ASP 59 N 4.70 0.98 -6.23 8.00 3.58 -2.07 -3.49 116.42 121.90 3kif h ASP 59 Ca -0.47 -0.55 -0.30 0.00 0.42 0.00 0.00 57.03 56.13 3kif h ASP 59 Cb 1.23 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 42.00 3kif h ASP 59 CO 0.79 1.36 -0.87 -3.20 -2.88 0.00 0.00 179.24 174.43 3kif n ASN 60 N -3.99 -6.05 -0.22 2.28 5.15 -1.26 -4.87 115.26 106.31 3kif n ASN 60 Ca -0.05 -0.30 0.02 0.00 -0.60 0.00 0.00 54.58 53.65 3kif n ASN 60 Cb 0.66 -2.84 0.26 0.00 -0.53 0.00 0.00 39.78 37.33 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 1.04 0.92 -0.24 1.20 7.01 -1.99 -3.13 115.95 120.76 3kif h TRP 61 Ca -0.41 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.50 3kif h TRP 61 Cb 1.28 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 3kif h TRP 61 CO 0.12 0.56 -0.32 0.97 -2.79 0.00 0.00 178.44 176.98 3kif h ILE 62 N 0.97 1.28 0.00 2.65 2.10 -1.97 -2.38 117.51 120.17 3kif h ILE 62 Ca 0.29 -1.40 -0.01 0.00 1.08 0.00 0.00 64.86 64.82 3kif h ILE 62 Cb -0.02 1.44 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 3kif h ILE 62 CO -0.08 0.44 -0.05 0.00 -1.08 0.00 0.00 178.15 177.39 3kif h ALA 63 N 1.23 1.53 -0.56 0.18 0.00 -1.90 -2.24 119.26 117.50 3kif h ALA 63 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kif h ALA 63 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kif h ALA 63 CO 0.06 0.06 0.00 2.89 0.00 0.00 0.00 179.25 182.26 3kif n ARG 64 N -3.91 3.27 -3.61 0.00 1.85 -0.92 -5.02 116.66 108.33 3kif n ARG 64 Ca -0.03 -2.66 -0.26 0.00 -1.00 0.00 0.00 57.85 53.90 3kif n ARG 64 Cb 0.14 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 29.83 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 -1.60 3.79 -0.33 2.89 0.00 -0.84 -5.03 121.76 120.63 3kif s ALA 65 Ca 0.44 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 3kif s ALA 65 Cb 0.27 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.38 3kif s ALA 65 CO 0.23 0.29 1.14 0.99 0.00 0.00 0.00 175.76 178.41 3kif s THR 66 N -2.01 4.38 0.17 0.00 2.01 -1.26 -5.00 115.64 113.93 3kif s THR 66 Ca 0.39 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 3kif s THR 66 Cb -0.10 -4.37 -0.08 0.00 0.01 0.00 0.00 72.50 67.95 3kif s THR 66 CO 0.31 -0.54 1.32 -0.70 -0.69 0.00 0.00 174.62 174.31 3kif s GLU 67 N 3.88 4.38 0.00 4.92 2.12 -1.26 -4.91 118.70 127.83 3kif s GLU 67 Ca 0.49 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3kif s GLU 67 Cb -0.13 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3kif s GLU 67 CO 0.19 -0.29 0.24 0.44 -0.54 0.00 0.00 175.26 175.31 3kif n ILE 68 N 2.97 0.00 -3.54 -3.70 -5.35 -1.26 -4.49 119.36 103.99 3kif n ILE 68 Ca 0.07 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 3kif n ILE 68 Cb 0.43 1.18 -0.05 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.25 -0.40 -0.25 3.28 0.00 -1.26 -3.71 107.32 104.72 3kif s GLY 69 Ca 0.00 1.61 -0.02 0.00 0.00 0.00 0.00 44.72 46.31 3kif s GLY 69 CO 0.00 0.88 0.40 -0.45 0.00 0.00 0.00 173.10 173.93 3kif s SER 70 N -1.39 0.09 0.00 1.64 0.15 -1.26 -5.03 113.70 107.90 3kif s SER 70 Ca -0.04 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.87 3kif s SER 70 Cb -0.00 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 3kif s SER 70 CO 0.02 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3kif n GLY 71 N 5.37 2.07 2.67 9.45 0.00 -1.26 -4.98 105.19 118.52 3kif n GLY 71 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3kif n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kif n GLY 72 N 0.69 1.20 0.35 -0.02 0.00 -1.26 -4.92 105.19 101.23 3kif n GLY 72 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.34 0.00 1.61 4.06 -1.95 -0.64 115.95 119.36 3kif h TRP 73 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3kif h TRP 73 Cb 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 3kif h TRP 73 CO 0.00 0.16 0.00 0.43 -3.56 0.00 0.00 178.44 175.47 3kif n SER 74 N -4.46 0.00 0.00 -3.49 7.64 -1.26 -3.37 113.62 108.68 3kif n SER 74 Ca 0.09 0.16 0.10 0.00 1.01 0.00 0.00 58.87 60.22 3kif n SER 74 Cb 0.37 -0.38 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.00 -1.08 3.73 0.23 0.00 -0.25 -4.80 105.19 104.02 3kif n GLY 75 Ca 0.10 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.81 3.73 0.12 1.61 0.08 -1.22 -4.67 117.98 114.83 3kif s PHE 76 Ca 0.14 1.73 -0.12 0.00 0.12 0.00 0.00 56.93 58.79 3kif s PHE 76 Cb 0.13 -3.12 -0.10 0.00 -0.57 0.00 0.00 43.02 39.36 3kif s PHE 76 CO 0.34 -0.04 1.40 -0.22 -0.10 0.00 0.00 175.22 176.59 3kif h LYS 77 N 5.71 0.87 -4.82 0.44 3.64 -0.35 -3.45 116.57 118.61 3kif h LYS 77 Ca -0.43 -0.56 -0.30 0.00 -1.27 0.00 0.00 60.65 58.09 3kif h LYS 77 Cb 1.21 0.07 -0.19 0.00 -0.41 0.00 0.00 32.23 32.91 3kif h LYS 77 CO 0.73 1.20 -0.73 -0.06 -2.27 0.00 0.00 179.45 178.31 3kif s PHE 78 N -4.10 0.91 -0.25 1.91 0.08 -1.16 -4.95 117.98 110.41 3kif s PHE 78 Ca -0.11 -0.60 -0.05 0.00 0.12 0.00 0.00 56.93 56.29 3kif s PHE 78 Cb 0.10 -0.52 0.13 0.00 -0.57 0.00 0.00 43.02 42.16 3kif s PHE 78 CO 0.89 -0.05 0.49 -1.17 -0.10 0.00 0.00 175.22 175.28 3kif s LEU 79 N -2.08 -0.88 0.08 -0.37 0.20 -1.26 -1.02 118.68 113.35 3kif s LEU 79 Ca -0.01 0.90 -0.26 0.00 0.69 0.00 0.00 54.13 55.45 3kif s LEU 79 Cb -0.06 1.63 0.09 0.00 -0.43 0.00 0.00 46.19 47.42 3kif s LEU 79 CO -0.00 -0.25 0.74 0.72 -0.29 0.00 0.00 176.35 177.27 3kif s PHE 80 N 2.70 -0.44 0.05 5.38 -0.71 -0.31 -5.01 117.98 119.64 3kif s PHE 80 Ca 0.05 0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 56.17 3kif s PHE 80 Cb -0.13 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 3kif s PHE 80 CO -0.16 -0.71 0.25 -0.06 -1.34 0.00 0.00 175.22 173.20 3kif s PHE 81 N -3.44 3.53 0.22 3.49 0.08 -1.26 -0.16 117.98 120.44 3kif s PHE 81 Ca 0.03 0.42 -0.14 0.00 0.12 0.00 0.00 56.93 57.36 3kif s PHE 81 Cb -0.01 -1.88 -0.08 0.00 -0.57 0.00 0.00 43.02 40.48 3kif s PHE 81 CO -0.11 0.58 0.62 -1.58 -0.10 0.00 0.00 175.22 174.63 3kif s HIS 82 N -1.45 3.50 0.16 0.36 5.65 -0.09 -4.92 115.29 118.52 3kif s HIS 82 Ca 0.33 1.09 0.20 0.00 0.25 0.00 0.00 55.06 56.92 3kif s HIS 82 Cb -0.13 -2.41 1.09 0.00 -1.18 0.00 0.00 32.58 29.95 3kif s HIS 82 CO 0.22 0.29 1.56 -1.35 -0.65 0.00 0.00 174.74 174.81 3kif h PRO 83 N 2.93 0.00 -0.00 2.88 0.11 -2.00 0.46 132.00 136.38 3kif h PRO 83 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kif h PRO 83 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kif h PRO 83 CO 0.67 0.00 -0.01 0.27 -0.21 0.00 0.00 178.00 178.71 3kif n ASN 84 N -2.33 0.14 0.00 -2.05 0.23 -1.26 -4.92 115.26 105.06 3kif n ASN 84 Ca -0.01 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.36 3kif n ASN 84 Cb 0.27 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 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 1.14 0.78 3.79 4.83 0.00 0.16 -5.06 105.19 110.83 3kif n GLY 85 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.05 3.22 -0.41 1.61 2.02 -1.25 -4.49 117.35 115.00 3kif s TYR 86 Ca 0.00 1.63 -0.16 0.00 -0.37 0.00 0.00 57.07 58.17 3kif s TYR 86 Cb 0.00 -3.04 0.02 0.00 -0.40 0.00 0.00 41.96 38.53 3kif s TYR 86 CO 0.00 -0.53 0.38 -1.17 -1.57 0.00 0.00 175.55 172.66 3kif s LEU 87 N -2.96 4.88 0.04 -1.29 2.96 -0.09 -0.91 118.68 121.32 3kif s LEU 87 Ca 0.61 -0.69 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 3kif s LEU 87 Cb -0.18 -2.30 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 3kif s LEU 87 CO 0.22 -0.50 0.41 -0.31 -1.32 0.00 0.00 176.35 174.85 3kif s TYR 88 N 1.97 3.66 -0.16 5.38 2.02 0.78 -2.86 117.35 128.14 3kif s TYR 88 Ca 0.10 0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 57.59 3kif s TYR 88 Cb -0.18 -2.24 0.05 0.00 -0.40 0.00 0.00 41.96 39.19 3kif s TYR 88 CO 0.12 0.58 0.40 0.00 -1.57 0.00 0.00 175.55 175.09 3kif s ALA 89 N -1.23 -1.01 -0.17 3.71 0.00 0.37 -1.16 121.76 122.27 3kif s ALA 89 Ca 0.28 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 3kif s ALA 89 Cb -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3kif s ALA 89 CO 0.15 -0.22 -0.10 0.14 0.00 0.00 0.00 175.76 175.74 3kif s VAL 90 N 0.67 3.13 -0.14 0.00 -7.23 -0.19 -0.15 120.40 116.49 3kif s VAL 90 Ca -0.04 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 3kif s VAL 90 Cb -0.05 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3kif s VAL 90 CO -0.05 0.49 -0.18 -0.60 -0.31 0.00 0.00 175.10 174.45 3kif s ARG 91 N 0.83 2.65 5.58 4.82 6.06 -1.14 0.41 118.95 138.17 3kif s ARG 91 Ca -0.03 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 52.49 3kif s ARG 91 Cb -0.15 -2.24 0.00 0.00 0.06 0.00 0.00 34.95 32.62 3kif s ARG 91 CO 0.01 -0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.12 3kif n GLY 92 N 4.32 3.20 0.00 8.12 0.00 -1.26 -1.28 105.19 118.29 3kif n GLY 92 Ca -0.19 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 10.28 0.38 -3.07 1.61 6.02 -1.26 -4.99 117.38 126.35 3kif n GLN 93 Ca 0.00 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 3kif n GLN 93 Cb 0.00 -1.45 0.01 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.93 2.86 -0.03 -1.09 1.70 -0.40 -5.12 118.95 113.94 3kif s ARG 94 Ca 0.07 -1.20 -0.01 0.00 -0.47 0.00 0.00 55.73 54.11 3kif s ARG 94 Cb 0.15 -2.76 0.03 0.00 -0.57 0.00 0.00 34.95 31.80 3kif s ARG 94 CO 0.83 -0.23 0.05 0.12 -1.08 0.00 0.00 175.30 174.99 3kif s PHE 95 N -2.33 0.03 0.02 5.89 5.36 -1.26 -2.87 117.98 122.81 3kif s PHE 95 Ca 0.54 0.23 0.07 0.00 -0.96 0.00 0.00 56.93 56.80 3kif s PHE 95 Cb -0.10 -0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.20 3kif s PHE 95 CO 0.33 -0.15 -0.20 0.71 -1.46 0.00 0.00 175.22 174.45 3kif s TYR 96 N 1.68 1.78 -0.06 10.12 2.02 0.79 -4.98 117.35 128.71 3kif s TYR 96 Ca -0.01 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3kif s TYR 96 Cb -0.12 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 3kif s TYR 96 CO -0.03 0.04 -0.13 -1.59 -1.57 0.00 0.00 175.55 172.28 3kif s LYS 97 N -0.91 1.66 0.32 -0.62 0.00 -1.26 -0.48 119.74 118.45 3kif s LYS 97 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 55.97 55.58 3kif s LYS 97 Cb -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 37.83 36.36 3kif s LYS 97 CO 0.01 0.06 0.46 0.00 0.00 0.00 0.00 175.35 175.88 3kif s ALA 98 N 0.56 0.64 0.74 0.59 0.00 -1.14 -4.99 121.76 118.15 3kif s ALA 98 Ca -0.13 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 3kif s ALA 98 Cb -0.15 1.15 0.04 0.00 0.00 0.00 0.00 23.12 24.16 3kif s ALA 98 CO 0.03 -0.79 1.12 -0.51 0.00 0.00 0.00 175.76 175.61 3kif s LEU 99 N -3.20 3.18 0.77 0.00 1.43 -1.26 -0.91 118.68 118.69 3kif s LEU 99 Ca 0.30 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 3kif s LEU 99 Cb -0.00 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.73 3kif s LEU 99 CO 0.18 -2.00 1.19 -2.16 0.23 0.00 0.00 176.35 173.78 3kif s PRO 100 N -4.46 1.95 1.04 1.29 0.04 -1.26 -4.73 135.00 128.86 3kif s PRO 100 Ca 0.65 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 3kif s PRO 100 Cb -0.20 -1.82 0.21 0.00 0.04 0.00 0.00 34.50 32.73 3kif s PRO 100 CO 0.49 -1.96 1.07 -1.25 0.04 0.00 0.00 177.00 175.39 3kif s PRO 101 N -4.12 0.12 0.00 0.56 0.04 -1.26 -5.03 135.00 125.31 3kif s PRO 101 Ca 0.72 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3kif s PRO 101 Cb -0.27 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3kif s PRO 101 CO 0.48 -3.00 0.00 1.33 0.04 0.00 0.00 177.00 175.85 3kif n VAL 102 N -4.40 0.00 -0.27 -0.36 0.24 -1.26 -4.97 118.33 107.30 3kif n VAL 102 Ca 0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3kif n VAL 102 Cb 0.55 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3kif n VAL 102 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49