#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1skz h GLU 9 N 1.49 0.00 0.00 0.00 4.11 -1.91 -1.73 114.58 116.54 1skz h GLU 9 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1skz h GLU 9 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1skz h GLU 9 CO 0.00 0.00 -0.54 0.39 0.07 0.00 0.00 179.01 178.93 1skz n GLU 10 N -4.01 0.29 -0.32 1.06 -0.58 -1.26 -4.70 120.64 111.12 1skz n GLU 10 Ca 0.00 0.11 0.18 0.00 -0.42 0.00 0.00 57.16 57.04 1skz n GLU 10 Cb 0.24 -0.98 0.38 0.00 -0.57 0.00 0.00 31.44 30.51 1skz n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1skz h ALA 11 N -0.74 1.63 0.00 0.62 0.00 -1.61 -3.48 119.26 115.68 1skz h ALA 11 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1skz h ALA 11 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1skz h ALA 11 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1skz n GLY 12 N -1.33 -2.28 3.18 0.00 0.00 -0.65 -5.04 105.19 99.06 1skz n GLY 12 Ca 0.26 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 1skz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skz n PRO 14 N 1.51 0.42 -1.61 0.00 -0.02 -1.26 -4.82 135.00 129.22 1skz n PRO 14 Ca -0.20 0.18 -0.46 0.00 -2.02 0.00 0.00 63.50 61.00 1skz n PRO 14 Cb 0.54 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1skz n PRO 14 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1skz n GLU 15 N -0.64 1.51 -0.32 -0.52 1.02 -1.26 -1.91 120.64 118.52 1skz n GLU 15 Ca 0.11 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1skz n GLU 15 Cb 0.49 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1skz n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1skz n GLY 16 N 1.76 0.80 3.10 0.62 0.00 -1.26 -5.04 105.19 105.17 1skz n GLY 16 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1skz n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1skz s SER 17 N -2.96 0.24 0.18 1.61 1.04 -0.80 -4.71 113.70 108.30 1skz s SER 17 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1skz s SER 17 Cb 0.00 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1skz s SER 17 CO 0.00 -0.51 -0.03 0.00 0.98 0.00 0.00 173.24 173.68 1skz s ALA 18 N -2.77 1.49 -0.02 5.32 0.00 0.16 -4.54 121.76 121.40 1skz s ALA 18 Ca -0.04 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 1skz s ALA 18 Cb -0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1skz s ALA 18 CO -0.05 -0.23 1.22 0.00 0.00 0.00 0.00 175.76 176.70 1skz s ASN 20 N 1.41 6.66 0.39 0.00 3.84 -0.45 -4.67 114.94 122.11 1skz s ASN 20 Ca 0.58 0.76 0.24 0.00 0.21 0.00 0.00 52.86 54.64 1skz s ASN 20 Cb -0.27 -2.38 0.48 0.00 -0.55 0.00 0.00 41.25 38.54 1skz s ASN 20 CO 0.25 -0.47 1.66 -0.29 -2.79 0.00 0.00 177.10 175.45 1skz h ILE 21 N 5.47 0.00 0.01 -5.21 2.10 -1.76 0.24 117.51 118.36 1skz h ILE 21 Ca -0.25 -0.87 -0.00 0.00 1.08 0.00 0.00 64.86 64.82 1skz h ILE 21 Cb 1.11 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 38.70 1skz h ILE 21 CO 0.83 0.00 -0.01 0.40 -1.08 0.00 0.00 178.15 178.29 1skz h ILE 22 N 0.00 1.45 0.00 2.19 2.04 -1.83 -3.38 117.51 117.98 1skz h ILE 22 Ca 0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1skz h ILE 22 Cb 0.92 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1skz h ILE 22 CO 0.00 0.47 -0.85 0.35 0.00 0.00 0.00 178.15 178.12 1skz n THR 23 N -4.68 0.05 -2.35 -0.27 -2.24 -1.20 -4.94 114.28 98.65 1skz n THR 23 Ca -0.08 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1skz n THR 23 Cb 0.38 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 1skz n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1skz n ASP 24 N -1.65 -4.62 -4.43 3.42 2.03 0.83 -4.94 116.55 107.20 1skz n ASP 24 Ca 0.04 0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.18 1skz n ASP 24 Cb 0.37 -3.91 -0.13 0.00 -0.72 0.00 0.00 41.12 36.73 1skz n ASP 24 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1skz s ARG 25 N -4.91 1.92 -1.33 -0.67 3.52 -1.23 -1.04 118.95 115.21 1skz s ARG 25 Ca 0.00 -1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 54.39 1skz s ARG 25 Cb 0.00 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 1skz s ARG 25 CO 0.00 0.52 2.27 0.00 -0.81 0.00 0.00 175.30 177.28 1skz n THR 27 N 5.01 0.53 -3.66 0.00 -2.24 -1.17 -4.61 114.28 108.14 1skz n THR 27 Ca 0.55 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 1skz n THR 27 Cb 0.36 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 1skz n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1skz h SER 29 N 1.05 0.00 -4.55 0.00 0.02 -1.84 0.45 113.55 108.68 1skz h SER 29 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1skz h SER 29 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1skz h SER 29 CO 0.62 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 1skz n GLY 30 N 1.24 0.04 3.71 -3.77 0.00 -1.26 -4.31 105.19 100.84 1skz n GLY 30 Ca 0.02 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1skz n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1skz s VAL 31 N -2.99 4.33 -0.43 1.61 1.01 -1.26 -4.90 120.40 117.75 1skz s VAL 31 Ca 0.00 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 1skz s VAL 31 Cb 0.00 -4.07 0.32 0.00 0.00 0.00 0.00 36.38 32.63 1skz s VAL 31 CO 0.00 0.11 1.99 0.54 0.00 0.00 0.00 175.10 177.74 1skz n ARG 32 N 4.07 2.10 -3.90 2.72 3.00 -1.26 -4.88 116.66 118.51 1skz n ARG 32 Ca 0.08 -2.18 -0.10 0.00 -0.01 0.00 0.00 57.85 55.64 1skz n ARG 32 Cb 0.48 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1skz n ARG 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1skz n ARG 34 N -0.53 0.82 -1.72 0.00 1.74 -1.26 -5.07 116.66 110.65 1skz n ARG 34 Ca -0.05 -2.61 -0.43 0.00 -0.77 0.00 0.00 57.85 53.99 1skz n ARG 34 Cb 0.60 -0.87 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 1skz n ARG 34 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1skz n VAL 35 N -0.40 0.43 -2.15 1.55 0.31 -1.26 -4.98 118.33 111.83 1skz n VAL 35 Ca 0.12 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 1skz n VAL 35 Cb 0.88 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.91 1skz n VAL 35 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1skz s HIS 36 N 0.63 2.11 -0.32 3.52 2.46 -1.26 -5.04 115.29 117.39 1skz s HIS 36 Ca 0.71 0.62 -0.04 0.00 0.47 0.00 0.00 55.06 56.83 1skz s HIS 36 Cb -0.54 -4.11 0.05 0.00 -0.13 0.00 0.00 32.58 27.86 1skz s HIS 36 CO 0.40 -2.64 0.05 0.00 -2.47 0.00 0.00 174.74 170.08 1skz h PRO 38 N 8.08 0.38 -0.41 0.00 0.11 -1.96 0.21 132.00 138.41 1skz h PRO 38 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1skz h PRO 38 Cb 1.07 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1skz h PRO 38 CO 0.57 0.25 0.00 0.72 -0.21 0.00 0.00 178.00 179.33 1skz n HIS 39 N -4.59 1.34 0.00 0.65 8.25 -1.26 -5.05 115.22 114.56 1skz n HIS 39 Ca 0.24 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 1skz n HIS 39 Cb 0.85 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1skz n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1skz n GLY 40 N 0.12 -1.29 3.81 -1.41 0.00 0.06 -4.61 105.19 101.88 1skz n GLY 40 Ca 0.23 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1skz n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1skz s PHE 41 N -1.35 3.67 0.74 1.61 0.08 -1.26 -1.26 117.98 120.21 1skz s PHE 41 Ca 0.00 1.39 -0.14 0.00 0.12 0.00 0.00 56.93 58.30 1skz s PHE 41 Cb 0.00 -2.61 0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1skz s PHE 41 CO 0.00 0.36 1.17 -0.65 -0.10 0.00 0.00 175.22 176.00 1skz s GLN 42 N -1.91 2.12 0.13 0.44 -0.21 0.01 -4.67 119.66 115.57 1skz s GLN 42 Ca 0.42 1.62 0.10 0.00 0.02 0.00 0.00 55.36 57.52 1skz s GLN 42 Cb -0.17 -1.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 1skz s GLN 42 CO 0.21 -1.82 -0.24 1.03 -2.12 0.00 0.00 175.29 172.35 1skz s ARG 43 N -4.12 1.32 0.82 2.91 0.52 -1.26 -1.85 118.95 117.29 1skz s ARG 43 Ca 0.71 -1.32 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 1skz s ARG 43 Cb -0.26 -1.67 0.09 0.00 0.52 0.00 0.00 34.95 33.63 1skz s ARG 43 CO 0.47 0.38 1.17 -1.54 0.02 0.00 0.00 175.30 175.81 1skz s SER 44 N -2.17 3.59 0.45 0.23 1.04 0.37 -4.90 113.70 112.31 1skz s SER 44 Ca 0.13 2.24 0.31 0.00 0.48 0.00 0.00 55.95 59.10 1skz s SER 44 Cb -0.09 -2.57 1.48 0.00 0.10 0.00 0.00 66.02 64.94 1skz s SER 44 CO 0.06 -2.66 1.93 0.08 0.98 0.00 0.00 173.24 173.63 1skz h ARG 45 N -1.13 0.00 -0.09 4.02 0.11 -1.89 -0.77 114.38 114.62 1skz h ARG 45 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1skz h ARG 45 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1skz h ARG 45 CO 0.46 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.19 1skz n TYR 46 N -2.66 0.10 0.00 4.08 4.01 -1.26 -4.22 117.16 117.22 1skz n TYR 46 Ca -0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1skz n TYR 46 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1skz n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1skz n GLY 47 N 1.20 1.21 3.67 2.72 0.00 -0.30 -4.73 105.19 108.96 1skz n GLY 47 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1skz n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skz s GLU 49 N 0.12 3.56 0.15 0.00 2.02 -1.26 -0.48 118.70 122.80 1skz s GLU 49 Ca 0.06 2.18 -0.01 0.00 0.02 0.00 0.00 54.97 57.22 1skz s GLU 49 Cb -0.12 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1skz s GLU 49 CO 0.00 -0.84 0.08 -0.06 0.02 0.00 0.00 175.26 174.46 1skz s PHE 50 N -1.31 0.92 -1.45 1.61 0.08 -0.77 -4.36 117.98 112.69 1skz s PHE 50 Ca 0.64 -1.26 -0.13 0.00 0.12 0.00 0.00 56.93 56.31 1skz s PHE 50 Cb -0.39 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1skz s PHE 50 CO 0.48 -0.55 2.27 0.00 -0.10 0.00 0.00 175.22 177.32 1skz s LYS 52 N 2.66 0.07 0.18 0.00 2.20 -1.26 -5.06 119.74 118.52 1skz s LYS 52 Ca 0.49 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.01 1skz s LYS 52 Cb 0.14 -0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.31 1skz s LYS 52 CO -0.07 -0.09 1.06 0.00 -0.36 0.00 0.00 175.35 175.89 1skz n ARG 54 N 2.29 1.57 0.10 0.00 1.74 -0.38 -4.69 116.66 117.28 1skz n ARG 54 Ca 0.02 0.58 0.04 0.00 -0.77 0.00 0.00 57.85 57.72 1skz n ARG 54 Cb 0.47 -2.45 -0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1skz n ARG 54 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1skz h LEU 55 N 1.36 0.00 -8.29 0.55 -0.00 -1.93 -3.41 115.31 103.59 1skz h LEU 55 Ca -0.50 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.24 1skz h LEU 55 Cb 1.32 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.83 1skz h LEU 55 CO 0.56 0.39 -0.62 -1.61 -0.00 0.00 0.00 178.44 177.16 1skz s GLU 56 N -3.04 0.81 0.55 1.13 0.41 -1.26 -5.00 118.70 112.29 1skz s GLU 56 Ca 0.01 -1.30 -0.19 0.00 -0.41 0.00 0.00 54.97 53.08 1skz s GLU 56 Cb 0.08 0.24 -0.06 0.00 -1.78 0.00 0.00 34.13 32.62 1skz s GLU 56 CO 0.77 -0.21 1.11 -1.25 -0.49 0.00 0.00 175.26 175.19 1skz s PRO 57 N -3.98 3.37 0.22 0.39 0.04 -1.26 -4.90 135.00 128.88 1skz s PRO 57 Ca 0.16 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1skz s PRO 57 Cb 0.07 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1skz s PRO 57 CO -0.04 -0.82 1.05 1.41 0.04 0.00 0.00 177.00 178.64 1skz s MET 58 N -3.36 4.69 0.25 4.56 1.75 -1.26 -5.01 119.30 120.92 1skz s MET 58 Ca 0.71 1.66 -0.31 0.00 -1.25 0.00 0.00 55.69 56.51 1skz s MET 58 Cb -0.22 -3.26 -0.12 0.00 2.84 0.00 0.00 34.83 34.07 1skz s MET 58 CO 0.27 0.24 1.60 1.17 -0.65 0.00 0.00 175.02 177.66 1skz n LYS 59 N 1.80 2.57 -0.09 4.11 4.81 -1.26 -4.89 118.16 125.22 1skz n LYS 59 Ca 0.00 0.92 -0.12 0.00 -0.87 0.00 0.00 58.31 58.24 1skz n LYS 59 Cb 0.46 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1skz n LYS 59 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1skz h ALA 60 N 5.35 0.61 -2.70 3.14 0.00 -1.92 -3.42 119.26 120.32 1skz h ALA 60 Ca -0.45 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 53.86 1skz h ALA 60 Cb 1.23 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.71 1skz h ALA 60 CO 0.84 0.67 -0.49 -0.08 0.00 0.00 0.00 179.25 180.19 1skz s THR 61 N -4.32 0.10 -0.01 0.00 -1.32 -1.26 -5.07 115.64 103.76 1skz s THR 61 Ca -0.10 -0.82 -0.01 0.00 -1.21 0.00 0.00 61.69 59.54 1skz s THR 61 Cb 0.11 -0.60 -0.00 0.00 -1.51 0.00 0.00 72.50 70.50 1skz s THR 61 CO 0.87 -0.45 0.03 0.00 -2.21 0.00 0.00 174.62 172.86 1skz s ASP 63 N -0.28 1.05 0.50 0.00 2.15 -1.26 -5.01 116.67 113.82 1skz s ASP 63 Ca -0.03 -0.32 0.27 0.00 0.43 0.00 0.00 52.55 52.90 1skz s ASP 63 Cb -0.02 -0.06 1.37 0.00 -0.30 0.00 0.00 42.92 43.90 1skz s ASP 63 CO -0.00 -0.00 1.89 -0.29 -0.17 0.00 0.00 175.17 176.60 1skz h ILE 64 N 4.73 0.60 0.00 4.11 6.09 -1.97 0.09 117.51 131.15 1skz h ILE 64 Ca -0.33 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.09 1skz h ILE 64 Cb 1.19 0.48 -0.00 0.00 0.47 0.00 0.00 36.82 38.95 1skz h ILE 64 CO 0.46 0.02 -0.14 0.77 -3.07 0.00 0.00 178.15 176.19 1skz h SER 65 N 0.11 0.00 1.29 2.19 4.64 -1.97 0.27 113.55 120.08 1skz h SER 65 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1skz h SER 65 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1skz h SER 65 CO -0.05 0.14 0.00 -0.33 -0.87 0.00 0.00 176.83 175.71 1skz h GLU 66 N 0.00 0.00 -6.78 4.77 5.08 -1.40 -3.46 114.58 112.78 1skz h GLU 66 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.87 1skz h GLU 66 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1skz h GLU 66 CO 0.02 0.00 0.27 0.00 -1.00 0.00 0.00 179.01 178.30 1skz n PRO 68 N 0.62 -0.23 -1.62 0.00 -0.02 -1.26 -4.93 135.00 127.55 1skz n PRO 68 Ca 0.01 -0.03 -0.48 0.00 -2.02 0.00 0.00 63.50 60.98 1skz n PRO 68 Cb 0.50 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1skz n PRO 68 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1skz n GLU 69 N -1.23 1.60 -0.94 -0.52 2.13 -1.26 -2.24 120.64 118.18 1skz n GLU 69 Ca 0.06 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1skz n GLU 69 Cb 0.54 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1skz n GLU 69 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1skz n GLY 70 N 2.50 0.93 3.39 8.31 0.00 -1.26 -4.99 105.19 114.07 1skz n GLY 70 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1skz n GLY 70 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1skz s MET 71 N -0.06 1.42 0.19 1.61 -1.94 -0.95 -0.92 119.30 118.65 1skz s MET 71 Ca 0.00 -1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1skz s MET 71 Cb 0.00 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1skz s MET 71 CO 0.00 0.44 0.09 0.00 -0.01 0.00 0.00 175.02 175.54 1skz s MET 72 N -2.17 1.15 0.50 2.03 0.23 0.11 -4.63 119.30 116.53 1skz s MET 72 Ca 0.15 -1.59 -0.23 0.00 -1.03 0.00 0.00 55.69 52.98 1skz s MET 72 Cb -0.10 0.13 -0.06 0.00 -1.53 0.00 0.00 34.83 33.27 1skz s MET 72 CO 0.07 -0.32 1.38 0.00 -2.03 0.00 0.00 175.02 174.12 1skz s SER 74 N -0.78 6.38 0.51 0.00 0.15 0.97 -4.68 113.70 116.24 1skz s SER 74 Ca 0.67 0.44 0.33 0.00 0.70 0.00 0.00 55.95 58.09 1skz s SER 74 Cb -0.41 -2.17 1.42 0.00 -1.71 0.00 0.00 66.02 63.15 1skz s SER 74 CO 0.51 0.08 1.98 0.03 1.20 0.00 0.00 173.24 177.04 1skz h ARG 75 N 6.85 0.00 -0.04 5.44 3.08 -1.88 0.87 114.38 128.69 1skz h ARG 75 Ca -0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 1skz h ARG 75 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1skz h ARG 75 CO 0.74 0.00 -0.22 1.25 -1.07 0.00 0.00 179.97 180.68 1skz h LEU 76 N 0.00 0.27 0.00 3.04 5.85 -1.87 -3.40 115.31 119.19 1skz h LEU 76 Ca 0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1skz h LEU 76 Cb 0.42 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1skz h LEU 76 CO 0.00 0.88 -1.18 0.35 -0.34 0.00 0.00 178.44 178.15 1skz n THR 77 N -4.54 0.00 -3.02 1.05 -2.24 -1.08 -4.98 114.28 99.48 1skz n THR 77 Ca -0.09 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1skz n THR 77 Cb 0.45 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1skz n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1skz n ASN 78 N -1.68 -4.25 -4.53 3.42 3.02 0.30 -4.19 115.26 107.35 1skz n ASN 78 Ca 0.00 -0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 54.11 1skz n ASN 78 Cb 0.32 -3.52 -0.11 0.00 -0.61 0.00 0.00 39.78 35.86 1skz n ASN 78 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1skz s LYS 79 N -5.65 1.77 -1.45 3.52 1.02 -1.24 -4.41 119.74 113.30 1skz s LYS 79 Ca 0.26 -1.95 -0.09 0.00 0.02 0.00 0.00 55.97 54.21 1skz s LYS 79 Cb -0.13 -1.42 0.04 0.00 -0.52 0.00 0.00 37.83 35.79 1skz s LYS 79 CO 0.32 0.00 2.49 0.00 -0.92 0.00 0.00 175.35 177.25 1skz n ASP 81 N 3.45 0.76 -4.82 0.00 8.00 -1.09 -4.56 116.55 118.28 1skz n ASP 81 Ca 0.63 0.33 -0.37 0.00 0.71 0.00 0.00 54.79 56.09 1skz n ASP 81 Cb 0.28 0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1skz n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1skz n LYS 83 N 2.45 2.74 -0.14 0.00 5.02 -1.26 0.08 118.16 127.05 1skz n LYS 83 Ca -0.17 0.98 -0.10 0.00 -2.02 0.00 0.00 58.31 57.00 1skz n LYS 83 Cb 0.53 -2.78 -0.01 0.00 -0.02 0.00 0.00 35.03 32.75 1skz n LYS 83 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1skz h ILE 84 N 3.46 1.25 -3.82 -0.18 2.04 -1.33 -3.40 117.51 115.53 1skz h ILE 84 Ca -0.46 -0.96 -0.67 0.00 1.00 0.00 0.00 64.86 63.77 1skz h ILE 84 Cb 1.22 1.09 -0.36 0.00 -0.74 0.00 0.00 36.82 38.03 1skz h ILE 84 CO 0.83 0.33 -0.76 -0.62 0.00 0.00 0.00 178.15 177.93 1skz s ASP 85 N -6.16 4.61 0.00 1.72 -1.08 -1.26 -4.95 116.67 109.55 1skz s ASP 85 Ca -0.13 -1.44 0.18 0.00 -0.52 0.00 0.00 52.55 50.65 1skz s ASP 85 Cb 0.10 -1.61 0.58 0.00 -1.46 0.00 0.00 42.92 40.54 1skz s ASP 85 CO 0.79 -0.23 1.45 2.30 0.52 0.00 0.00 175.17 179.99 1skz n ILE 86 N 4.47 0.35 -3.37 4.11 -5.35 -1.26 -4.98 119.36 113.34 1skz n ILE 86 Ca -0.12 -0.46 -0.17 0.00 -0.27 0.00 0.00 62.75 61.74 1skz n ILE 86 Cb 0.42 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1skz n ILE 86 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1skz n ASN 87 N 0.58 -3.17 -4.05 7.28 5.15 -1.26 -4.77 115.26 115.02 1skz n ASN 87 Ca 0.16 -0.66 -0.29 0.00 -0.60 0.00 0.00 54.58 53.19 1skz n ASN 87 Cb 0.37 -1.05 -0.17 0.00 -0.53 0.00 0.00 39.78 38.40 1skz n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1skz n ARG 89 N 4.29 1.60 -2.64 0.00 5.12 -1.26 -5.04 116.66 118.73 1skz n ARG 89 Ca -0.19 -3.06 -0.37 0.00 -1.93 0.00 0.00 57.85 52.31 1skz n ARG 89 Cb 0.51 -1.62 -0.05 0.00 -1.16 0.00 0.00 32.46 30.14 1skz n ARG 89 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1skz s LYS 90 N -3.12 4.34 -0.17 5.56 1.02 -1.26 -5.05 119.74 121.07 1skz s LYS 90 Ca 0.37 1.43 -0.06 0.00 0.02 0.00 0.00 55.97 57.74 1skz s LYS 90 Cb 0.35 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1skz s LYS 90 CO -0.02 0.03 0.03 0.99 -0.92 0.00 0.00 175.35 175.46 1skz s THR 91 N -1.66 4.53 -0.01 2.17 2.01 -1.26 -5.05 115.64 116.37 1skz s THR 91 Ca 0.55 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1skz s THR 91 Cb -0.20 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1skz s THR 91 CO 0.26 0.48 -0.05 0.00 -0.69 0.00 0.00 174.62 174.63 1skz h PRO 93 N 6.23 0.01 0.00 0.00 0.13 -1.98 -3.29 132.00 133.10 1skz h PRO 93 Ca -0.30 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1skz h PRO 93 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1skz h PRO 93 CO 0.50 0.29 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 1skz n ASN 94 N -4.95 0.00 -0.11 1.44 3.02 -1.26 -5.03 115.26 108.37 1skz n ASN 94 Ca -0.08 0.36 0.01 0.00 -0.03 0.00 0.00 54.58 54.85 1skz n ASN 94 Cb 0.16 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1skz n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1skz n GLY 95 N 0.91 -1.39 3.83 7.41 0.00 -1.24 -4.70 105.19 110.00 1skz n GLY 95 Ca 0.07 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1skz n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1skz s LEU 96 N -2.69 3.84 0.57 0.99 1.43 -1.26 -0.43 118.68 121.12 1skz s LEU 96 Ca 0.00 1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 54.56 1skz s LEU 96 Cb 0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1skz s LEU 96 CO 0.00 -0.44 1.18 -0.54 0.23 0.00 0.00 176.35 176.78 1skz s LYS 97 N -3.46 3.15 0.09 1.70 1.02 0.79 -4.64 119.74 118.39 1skz s LYS 97 Ca 0.61 1.77 0.05 0.00 0.02 0.00 0.00 55.97 58.42 1skz s LYS 97 Cb -0.09 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1skz s LYS 97 CO 0.19 -1.04 -0.02 1.03 -0.92 0.00 0.00 175.35 174.59 1skz s ARG 98 N -3.26 2.50 0.56 1.68 0.52 -1.26 -1.47 118.95 118.21 1skz s ARG 98 Ca 0.75 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 1skz s ARG 98 Cb -0.28 -2.51 0.12 0.00 0.52 0.00 0.00 34.95 32.79 1skz s ARG 98 CO 0.31 0.54 0.76 -0.40 0.02 0.00 0.00 175.30 176.54 1skz n ASP 99 N 0.65 0.63 0.08 0.23 5.68 -0.20 -4.86 116.55 118.77 1skz n ASP 99 Ca -0.11 -1.62 0.08 0.00 -0.50 0.00 0.00 54.79 52.63 1skz n ASP 99 Cb 0.52 -0.53 0.37 0.00 -1.14 0.00 0.00 41.12 40.35 1skz n ASP 99 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1skz n LYS 100 N -2.49 0.10 -0.19 0.11 2.85 -1.26 -0.78 118.16 116.50 1skz n LYS 100 Ca 0.11 0.46 0.12 0.00 -1.05 0.00 0.00 58.31 57.95 1skz n LYS 100 Cb 0.40 -1.74 0.25 0.00 -0.65 0.00 0.00 35.03 33.29 1skz n LYS 100 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1skz n LEU 101 N -1.93 3.21 -0.28 -5.58 4.77 -1.26 -4.88 117.00 111.06 1skz n LEU 101 Ca 0.01 -1.40 -0.03 0.00 -0.03 0.00 0.00 56.01 54.55 1skz n LEU 101 Cb 0.11 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1skz n LEU 101 CO 0.11 0.70 -0.03 0.61 -1.33 0.00 0.00 177.39 177.45 1skz n GLY 102 N 1.46 0.47 3.72 -0.72 0.00 0.04 -4.37 105.19 105.80 1skz n GLY 102 Ca 0.19 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 1skz n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skz s GLU 104 N -0.11 4.02 0.20 0.00 2.02 -1.26 -1.03 118.70 122.54 1skz s GLU 104 Ca 0.08 2.06 -0.02 0.00 0.02 0.00 0.00 54.97 57.12 1skz s GLU 104 Cb -0.12 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1skz s GLU 104 CO 0.01 -0.41 0.15 1.52 0.02 0.00 0.00 175.26 176.55 1skz s TYR 105 N -1.29 1.08 -1.48 1.61 1.13 -0.54 -4.91 117.35 112.95 1skz s TYR 105 Ca 0.56 -1.32 -0.13 0.00 -1.41 0.00 0.00 57.07 54.77 1skz s TYR 105 Cb -0.36 -0.50 0.02 0.00 -1.10 0.00 0.00 41.96 40.02 1skz s TYR 105 CO 0.46 -0.66 2.37 0.00 -2.51 0.00 0.00 175.55 175.21 1skz s GLU 107 N 2.74 0.33 0.31 0.00 2.02 -1.26 -5.05 118.70 117.79 1skz s GLU 107 Ca 0.52 0.55 -0.28 0.00 0.02 0.00 0.00 54.97 55.77 1skz s GLU 107 Cb 0.15 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 34.33 1skz s GLU 107 CO -0.08 -0.11 1.12 0.00 0.02 0.00 0.00 175.26 176.22 1skz s ARG 109 N -1.68 4.19 0.00 0.00 0.52 0.43 -4.65 118.95 117.75 1skz s ARG 109 Ca 0.48 2.42 0.07 0.00 -0.52 0.00 0.00 55.73 58.18 1skz s ARG 109 Cb -0.31 -3.16 0.43 0.00 0.52 0.00 0.00 34.95 32.42 1skz s ARG 109 CO 0.40 -0.65 0.89 -2.30 0.02 0.00 0.00 175.30 173.66