#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sku s LEU 7 N 0.00 2.41 0.00 3.14 1.02 -1.26 -4.82 118.68 119.17 1sku s LEU 7 Ca 0.00 -3.03 0.00 0.00 0.02 0.00 0.00 54.13 51.12 1sku s LEU 7 Cb 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.37 1sku s LEU 7 CO 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 176.35 176.18 1sku n GLN 8 N 2.96 0.00 -0.03 1.70 1.13 -1.26 -5.17 117.38 116.71 1sku n GLN 8 Ca 0.20 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.25 1sku n GLN 8 Cb 0.41 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.77 1sku n GLN 8 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1sku n VAL 9 N -0.44 0.00 0.00 5.09 0.24 -1.26 -5.01 118.33 116.95 1sku n VAL 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1sku n VAL 9 Cb 0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1sku n VAL 9 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1sku n GLU 10 N -1.24 0.00 -2.87 7.34 4.07 -1.26 -5.09 120.64 121.59 1sku n GLU 10 Ca 0.01 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.99 1sku n GLU 10 Cb 0.03 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.46 1sku n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sku n ALA 11 N -0.19 -2.02 -3.67 4.31 0.00 -1.26 -4.95 120.51 112.73 1sku n ALA 11 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 1sku n ALA 11 Cb 0.00 -4.50 -0.17 0.00 0.00 0.00 0.00 19.45 14.78 1sku n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sku s ILE 12 N -3.30 0.10 0.57 0.00 1.09 -1.26 -4.63 121.20 113.77 1sku s ILE 12 Ca 0.34 -0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1sku s ILE 12 Cb -0.04 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 1sku s ILE 12 CO 0.57 -0.10 0.00 1.17 -0.10 0.00 0.00 174.94 176.48 1sku n LYS 13 N 5.22 -4.88 -0.59 2.79 3.00 -1.26 -4.80 118.16 117.64 1sku n LYS 13 Ca -0.07 3.65 -0.21 0.00 -0.00 0.00 0.00 58.31 61.68 1sku n LYS 13 Cb 0.49 -4.15 0.18 0.00 0.00 0.00 0.00 35.03 31.55 1sku n LYS 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1sku n ARG 14 N -1.04 -2.89 0.00 1.64 0.63 -1.24 -4.52 116.66 109.24 1sku n ARG 14 Ca 0.00 -1.17 0.00 0.00 -0.92 0.00 0.00 57.85 55.76 1sku n ARG 14 Cb 0.04 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1sku n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sku n GLY 15 N -2.96 0.66 0.00 5.14 0.00 -0.95 -1.12 105.19 105.95 1sku n GLY 15 Ca 0.10 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1sku n GLY 15 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sku n THR 16 N 0.00 0.00 -4.16 2.61 5.66 -0.64 -3.15 114.28 114.60 1sku n THR 16 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1sku n THR 16 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1sku n THR 16 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1sku s VAL 17 N -2.00 0.69 0.38 1.08 1.01 -1.26 -2.54 120.40 117.76 1sku s VAL 17 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1sku s VAL 17 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1sku s VAL 17 CO 0.00 -0.17 0.47 0.27 0.00 0.00 0.00 175.10 175.67 1sku s ILE 18 N -0.97 3.40 0.06 2.22 -0.00 -1.22 -3.43 121.20 121.26 1sku s ILE 18 Ca -0.04 -1.10 0.01 0.00 -0.00 0.00 0.00 60.65 59.52 1sku s ILE 18 Cb -0.08 -3.17 -0.04 0.00 -0.00 0.00 0.00 42.46 39.18 1sku s ILE 18 CO 0.01 -0.08 -0.05 -0.62 -0.00 0.00 0.00 174.94 174.20 1sku s ASP 19 N -4.21 0.78 0.00 4.36 2.15 -1.20 -4.49 116.67 114.06 1sku s ASP 19 Ca 0.49 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.60 1sku s ASP 19 Cb -0.08 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 1sku s ASP 19 CO 0.31 -0.45 0.00 1.41 -0.17 0.00 0.00 175.17 176.27 1sku n HIS 20 N 0.45 0.00 -1.80 -5.34 8.25 -1.26 -1.45 115.22 114.07 1sku n HIS 20 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 1sku n HIS 20 Cb 0.59 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1sku n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1sku s ILE 21 N -2.00 2.70 1.25 1.59 -1.09 -0.06 -4.31 121.20 119.28 1sku s ILE 21 Ca 0.00 0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 58.43 1sku s ILE 21 Cb 0.00 -3.14 0.32 0.00 -1.58 0.00 0.00 42.46 38.06 1sku s ILE 21 CO 0.00 0.00 0.71 -2.65 -1.23 0.00 0.00 174.94 171.77 1sku n PRO 22 N 5.55 -4.10 -2.94 2.79 -0.02 -1.26 0.18 135.00 135.19 1sku n PRO 22 Ca 0.17 -1.20 -0.41 0.00 -2.02 0.00 0.00 63.50 60.04 1sku n PRO 22 Cb 0.39 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1sku n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sku s ALA 23 N -2.09 3.44 -0.01 3.55 0.00 -1.25 -2.87 121.76 122.54 1sku s ALA 23 Ca 0.55 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1sku s ALA 23 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1sku s ALA 23 CO 0.46 -0.45 0.00 1.04 0.00 0.00 0.00 175.76 176.81 1sku n GLN 24 N 4.69 -0.02 -0.06 0.00 1.13 -1.26 -4.88 117.38 116.99 1sku n GLN 24 Ca 0.02 0.13 -0.01 0.00 -1.94 0.00 0.00 57.00 55.20 1sku n GLN 24 Cb 0.50 -3.26 -0.15 0.00 0.11 0.00 0.00 30.24 27.44 1sku n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1sku n ILE 25 N -2.99 0.71 0.39 5.09 5.41 -1.23 -4.49 119.36 122.26 1sku n ILE 25 Ca -0.00 -0.63 -0.18 0.00 1.00 0.00 0.00 62.75 62.93 1sku n ILE 25 Cb 0.01 -0.27 -0.09 0.00 -0.71 0.00 0.00 39.64 38.57 1sku n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1sku h GLY 26 N 3.58 -1.29 -1.22 7.39 0.00 -1.90 -3.31 103.07 106.33 1sku h GLY 26 Ca -0.28 0.53 -0.50 0.00 0.00 0.00 0.00 47.33 47.09 1sku h GLY 26 CO 0.02 -0.43 0.18 -0.12 0.00 0.00 0.00 176.54 176.19 1sku s PHE 27 N -5.72 1.70 0.00 5.60 2.19 -1.26 -2.85 117.98 117.63 1sku s PHE 27 Ca -0.18 1.57 0.00 0.00 0.33 0.00 0.00 56.93 58.66 1sku s PHE 27 Cb 0.03 -3.24 0.00 0.00 -1.31 0.00 0.00 43.02 38.50 1sku s PHE 27 CO 0.56 -2.96 0.00 1.63 1.83 0.00 0.00 175.22 176.28 1sku n LYS 28 N -4.32 0.00 -0.04 10.12 4.76 -1.26 -4.59 118.16 122.83 1sku n LYS 28 Ca 0.09 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.46 1sku n LYS 28 Cb 0.53 -3.64 -0.14 0.00 -1.84 0.00 0.00 35.03 29.94 1sku n LYS 28 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1sku n LEU 29 N 0.00 0.54 0.00 -0.35 0.00 -1.13 -2.05 117.00 114.00 1sku n LEU 29 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 56.01 56.39 1sku n LEU 29 Cb 0.00 0.27 0.74 0.00 0.00 0.00 0.00 43.42 44.43 1sku n LEU 29 CO 0.00 0.38 0.96 -0.11 0.00 0.00 0.00 177.39 178.62 1sku n LEU 30 N -2.90 0.00 -0.00 -1.96 7.94 -1.20 -3.47 117.00 115.40 1sku n LEU 30 Ca -0.21 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1sku n LEU 30 Cb 1.05 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 45.00 1sku n LEU 30 CO 0.44 0.00 -0.52 -1.54 -1.11 0.00 0.00 177.39 174.66 1sku n SER 31 N -0.92 3.18 0.12 1.96 3.41 -1.18 -2.76 113.62 117.43 1sku n SER 31 Ca 0.19 -0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.78 1sku n SER 31 Cb 0.09 -0.01 0.23 0.00 -0.26 0.00 0.00 64.21 64.25 1sku n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sku h LEU 32 N -0.00 0.16 -2.07 1.04 4.07 -1.54 -2.80 115.31 114.16 1sku h LEU 32 Ca -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1sku h LEU 32 Cb 1.02 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1sku h LEU 32 CO -0.00 0.60 0.00 0.49 -1.08 0.00 0.00 178.44 178.45 1sku n PHE 33 N -3.99 0.22 -2.75 1.13 3.01 -1.23 -4.70 117.46 109.16 1sku n PHE 33 Ca -0.02 -0.12 -0.02 0.00 1.01 0.00 0.00 57.45 58.30 1sku n PHE 33 Cb 0.50 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 1sku n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sku n LYS 34 N 1.31 -2.62 0.00 -1.08 4.01 -1.06 -4.98 118.16 113.73 1sku n LYS 34 Ca 0.15 2.09 0.00 0.00 -0.51 0.00 0.00 58.31 60.04 1sku n LYS 34 Cb 0.56 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.52 1sku n LYS 34 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sku n LEU 35 N 2.16 0.00 0.15 -0.35 4.77 -1.11 -4.77 117.00 117.85 1sku n LEU 35 Ca -0.15 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.84 1sku n LEU 35 Cb 0.23 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.56 1sku n LEU 35 CO 0.14 0.00 0.57 0.00 -1.33 0.00 0.00 177.39 176.77 1sku h THR 36 N 0.00 1.30 0.00 -5.08 1.03 -1.93 -3.36 112.91 104.87 1sku h THR 36 Ca 0.00 -1.87 -0.40 0.00 -0.01 0.00 0.00 66.41 64.14 1sku h THR 36 Cb 0.00 2.03 0.02 0.00 -1.07 0.00 0.00 68.15 69.13 1sku h THR 36 CO 0.00 0.52 2.64 -0.62 -0.01 0.00 0.00 175.52 178.05 1sku n GLU 37 N -3.79 2.12 -4.12 0.00 -0.58 -1.26 -4.79 120.64 108.22 1sku n GLU 37 Ca -0.01 -1.50 -0.11 0.00 -0.42 0.00 0.00 57.16 55.12 1sku n GLU 37 Cb 0.56 -2.48 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 1sku n GLU 37 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1sku s THR 38 N 3.43 0.57 -0.39 2.62 -4.23 -1.26 -5.07 115.64 111.31 1sku s THR 38 Ca 0.41 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1sku s THR 38 Cb 0.11 -1.27 0.46 0.00 1.34 0.00 0.00 72.50 73.13 1sku s THR 38 CO -0.03 -0.72 1.45 0.47 -0.54 0.00 0.00 174.62 175.25 1sku n ASP 39 N 0.51 5.28 -2.72 3.99 9.92 -1.26 -5.02 116.55 127.24 1sku n ASP 39 Ca -0.16 -3.77 -0.13 0.00 -0.53 0.00 0.00 54.79 50.20 1sku n ASP 39 Cb 0.59 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 1sku n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sku n GLN 40 N -0.83 0.55 -1.34 -1.24 1.13 -1.26 -5.07 117.38 109.32 1sku n GLN 40 Ca 0.47 -2.44 -0.15 0.00 -1.94 0.00 0.00 57.00 52.94 1sku n GLN 40 Cb 0.89 2.28 -0.15 0.00 0.11 0.00 0.00 30.24 33.37 1sku n GLN 40 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1sku n ARG 41 N -0.50 0.01 -3.73 -1.09 0.00 -1.26 -4.90 116.66 105.19 1sku n ARG 41 Ca 0.02 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.85 57.46 1sku n ARG 41 Cb 0.50 -1.06 -0.12 0.00 0.00 0.00 0.00 32.46 31.78 1sku n ARG 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1sku s ILE 42 N 0.32 3.92 -0.38 5.15 1.01 -1.26 -3.49 121.20 126.46 1sku s ILE 42 Ca 0.89 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1sku s ILE 42 Cb -0.56 -3.18 0.13 0.00 0.01 0.00 0.00 42.46 38.85 1sku s ILE 42 CO 0.38 -0.15 0.20 0.42 0.00 0.00 0.00 174.94 175.79 1sku s THR 43 N 1.44 0.85 0.53 2.92 -4.23 -1.23 -5.05 115.64 110.86 1sku s THR 43 Ca -0.01 -1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1sku s THR 43 Cb -0.19 -1.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.97 1sku s THR 43 CO 0.03 -0.87 1.08 -0.63 -0.54 0.00 0.00 174.62 173.69 1sku s ILE 44 N 0.90 3.49 -0.38 2.99 1.01 -1.26 -2.60 121.20 125.35 1sku s ILE 44 Ca 0.16 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1sku s ILE 44 Cb -0.22 -3.36 0.58 0.00 0.01 0.00 0.00 42.46 39.46 1sku s ILE 44 CO -0.06 -0.22 1.69 0.61 0.00 0.00 0.00 174.94 176.95 1sku n GLY 45 N -0.12 4.82 3.77 6.18 0.00 1.25 -4.83 105.19 116.26 1sku n GLY 45 Ca 0.10 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1sku n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sku s LEU 46 N -3.31 4.23 -1.02 0.99 2.96 -0.67 0.33 118.68 122.19 1sku s LEU 46 Ca 0.51 2.91 -0.07 0.00 -0.22 0.00 0.00 54.13 57.26 1sku s LEU 46 Cb 0.44 -3.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 1sku s LEU 46 CO 0.05 -0.96 0.87 0.59 -1.32 0.00 0.00 176.35 175.57 1sku n ASN 47 N 0.18 -6.59 -3.28 3.68 4.13 -1.23 -4.84 115.26 107.30 1sku n ASN 47 Ca 0.03 -0.67 -0.05 0.00 1.68 0.00 0.00 54.58 55.56 1sku n ASN 47 Cb 0.41 -4.91 -0.06 0.00 -1.54 0.00 0.00 39.78 33.69 1sku n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1sku s LEU 48 N -5.36 -0.89 0.50 3.41 1.02 0.50 -4.96 118.68 112.90 1sku s LEU 48 Ca 0.40 0.34 -0.21 0.00 0.02 0.00 0.00 54.13 54.68 1sku s LEU 48 Cb -0.07 1.43 -0.09 0.00 0.02 0.00 0.00 46.19 47.48 1sku s LEU 48 CO 0.76 -0.29 0.74 -0.81 0.02 0.00 0.00 176.35 176.77 1sku n PRO 49 N 5.38 0.82 -2.69 1.29 -0.04 -1.20 -4.03 135.00 134.53 1sku n PRO 49 Ca -0.02 0.31 -0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1sku n PRO 49 Cb 0.50 -1.83 0.07 0.00 -0.04 0.00 0.00 33.50 32.20 1sku n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sku n SER 50 N 0.45 -0.01 0.00 3.54 2.88 -1.26 -4.90 113.62 114.32 1sku n SER 50 Ca 0.11 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1sku n SER 50 Cb 0.43 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1sku n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sku n GLY 51 N -0.42 0.61 0.35 0.46 0.00 -1.26 -4.90 105.19 100.03 1sku n GLY 51 Ca 0.02 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.64 1sku n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1sku h GLU 52 N 0.00 0.00 -6.91 1.61 9.09 -2.02 -3.40 114.58 112.95 1sku h GLU 52 Ca 0.00 -0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.91 1sku h GLU 52 Cb 0.00 -0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 1sku h GLU 52 CO 0.00 0.00 0.13 -1.64 0.05 0.00 0.00 179.01 177.55 1sku s MET 53 N -6.21 3.67 -0.01 1.06 -1.94 -1.26 -5.00 119.30 109.61 1sku s MET 53 Ca -0.15 0.37 -0.10 0.00 -1.71 0.00 0.00 55.69 54.10 1sku s MET 53 Cb 0.27 -2.37 -0.31 0.00 2.01 0.00 0.00 34.83 34.43 1sku s MET 53 CO 0.78 -0.14 0.84 0.78 -0.01 0.00 0.00 175.02 177.27 1sku h GLY 54 N 0.73 0.46 -7.18 -0.03 0.00 -2.00 -3.39 103.07 91.65 1sku h GLY 54 Ca -0.47 -1.17 -0.66 0.00 0.00 0.00 0.00 47.33 45.04 1sku h GLY 54 CO 0.63 1.02 -0.65 1.09 0.00 0.00 0.00 176.54 178.63 1sku s ARG 55 N -2.60 3.50 0.05 4.80 1.70 -1.26 -3.78 118.95 121.35 1sku s ARG 55 Ca -0.12 -0.57 -0.18 0.00 -0.47 0.00 0.00 55.73 54.39 1sku s ARG 55 Cb 0.05 -3.24 0.04 0.00 -0.57 0.00 0.00 34.95 31.23 1sku s ARG 55 CO 0.88 -0.23 0.42 0.21 -1.08 0.00 0.00 175.30 175.51 1sku s LYS 56 N 1.56 0.93 0.12 3.89 2.20 -1.26 -3.75 119.74 123.43 1sku s LYS 56 Ca 0.06 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.35 1sku s LYS 56 Cb -0.15 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1sku s LYS 56 CO 0.01 -0.32 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.07 1sku s ASP 57 N -2.02 1.65 0.21 1.43 1.11 0.48 0.19 116.67 119.73 1sku s ASP 57 Ca -0.05 -0.91 -0.02 0.00 0.18 0.00 0.00 52.55 51.75 1sku s ASP 57 Cb -0.01 -0.01 -0.03 0.00 1.07 0.00 0.00 42.92 43.94 1sku s ASP 57 CO -0.03 -0.29 0.18 -0.76 1.18 0.00 0.00 175.17 175.46 1sku s LEU 58 N -2.78 1.08 -0.20 1.23 2.01 0.15 -0.89 118.68 119.28 1sku s LEU 58 Ca 0.11 -1.36 -0.15 0.00 0.01 0.00 0.00 54.13 52.75 1sku s LEU 58 Cb -0.00 0.57 0.06 0.00 0.01 0.00 0.00 46.19 46.82 1sku s LEU 58 CO 0.00 -0.89 0.51 -0.51 1.01 0.00 0.00 176.35 176.47 1sku s ILE 59 N -4.09 -0.01 0.08 -0.59 2.07 -1.26 0.39 121.20 117.78 1sku s ILE 59 Ca 0.37 0.03 0.09 0.00 -1.41 0.00 0.00 60.65 59.73 1sku s ILE 59 Cb 0.06 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1sku s ILE 59 CO 0.13 0.01 -0.23 -0.54 -1.91 0.00 0.00 174.94 172.40 1sku s LYS 60 N 0.89 1.42 -0.03 3.50 1.02 -1.07 -3.38 119.74 122.08 1sku s LYS 60 Ca -0.05 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1sku s LYS 60 Cb -0.05 -1.66 0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1sku s LYS 60 CO -0.07 0.41 0.04 0.42 -0.92 0.00 0.00 175.35 175.22 1sku s ILE 61 N -0.94 -0.04 0.00 2.17 1.09 -1.05 -3.57 121.20 118.85 1sku s ILE 61 Ca 0.09 0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 1sku s ILE 61 Cb -0.10 -0.14 0.00 0.00 -1.06 0.00 0.00 42.46 41.17 1sku s ILE 61 CO 0.03 0.13 0.00 -1.84 -0.10 0.00 0.00 174.94 173.16 1sku n GLU 62 N 4.60 1.63 -0.93 2.79 0.28 -1.23 -1.62 120.64 126.17 1sku n GLU 62 Ca -0.18 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.66 1sku n GLU 62 Cb 0.50 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.24 1sku n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sku n ASN 63 N 0.00 -0.75 -3.15 -1.84 3.02 -0.27 -3.16 115.26 109.10 1sku n ASN 63 Ca 0.00 -0.27 0.06 0.00 -0.03 0.00 0.00 54.58 54.34 1sku n ASN 63 Cb 0.00 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1sku n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sku s THR 64 N 0.87 -0.01 0.63 3.41 2.01 -1.26 -4.79 115.64 116.49 1sku s THR 64 Ca 0.82 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.74 1sku s THR 64 Cb -0.57 -0.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 1sku s THR 64 CO 0.35 0.00 0.98 0.72 -0.69 0.00 0.00 174.62 175.98 1sku s PHE 65 N 3.00 3.37 -0.08 4.92 -0.12 -1.26 -3.84 117.98 123.97 1sku s PHE 65 Ca 0.30 0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 58.06 1sku s PHE 65 Cb 0.00 -2.82 0.04 0.00 -0.63 0.00 0.00 43.02 39.62 1sku s PHE 65 CO -0.21 -0.88 0.09 -0.51 -0.05 0.00 0.00 175.22 173.66 1sku s LEU 66 N -5.13 0.13 0.39 -1.99 1.02 -1.26 -5.08 118.68 106.76 1sku s LEU 66 Ca 0.55 -0.02 -0.24 0.00 0.02 0.00 0.00 54.13 54.44 1sku s LEU 66 Cb -0.11 -0.07 -0.13 0.00 0.02 0.00 0.00 46.19 45.90 1sku s LEU 66 CO 0.49 -0.27 0.61 -0.24 0.02 0.00 0.00 176.35 176.96 1sku n SER 67 N 5.30 -0.59 -0.32 2.29 2.88 -1.26 -4.57 113.62 117.35 1sku n SER 67 Ca -0.04 0.96 0.20 0.00 -1.33 0.00 0.00 58.87 58.67 1sku n SER 67 Cb 0.50 -1.13 0.41 0.00 -0.75 0.00 0.00 64.21 63.24 1sku n SER 67 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1sku h GLU 68 N 0.98 0.19 -0.30 -1.46 4.11 -2.00 1.06 114.58 117.17 1sku h GLU 68 Ca -0.39 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 58.97 1sku h GLU 68 Cb 1.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1sku h GLU 68 CO 0.53 0.13 -0.04 -0.44 0.07 0.00 0.00 179.01 179.26 1sku h ASP 69 N 0.20 0.45 -0.25 3.06 3.32 -1.98 0.34 116.42 121.56 1sku h ASP 69 Ca 0.68 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.52 1sku h ASP 69 Cb 1.53 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 1sku h ASP 69 CO -0.68 0.54 -0.29 1.56 -1.72 0.00 0.00 179.24 178.65 1sku h GLN 70 N 0.46 0.63 -0.53 3.56 4.20 0.84 -2.90 115.11 121.36 1sku h GLN 70 Ca 0.10 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 1sku h GLN 70 Cb 0.36 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1sku h GLN 70 CO 0.01 0.95 -0.06 0.28 -0.67 0.00 0.00 178.83 179.35 1sku h VAL 71 N 0.34 1.27 0.00 -0.54 2.07 -0.98 -2.66 116.25 115.74 1sku h VAL 71 Ca 0.03 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1sku h VAL 71 Cb 0.86 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1sku h VAL 71 CO 0.07 0.42 -0.03 0.44 0.02 0.00 0.00 177.57 178.49 1sku h ASP 72 N 0.86 0.00 0.00 0.57 3.45 -0.94 -0.36 116.42 119.99 1sku h ASP 72 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1sku h ASP 72 Cb 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 1sku h ASP 72 CO 0.04 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 177.74 1sku n GLN 73 N -3.59 1.00 -0.08 3.56 1.13 -1.00 -3.01 117.38 115.39 1sku n GLN 73 Ca -0.03 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.95 1sku n GLN 73 Cb 0.12 -1.29 -0.13 0.00 0.11 0.00 0.00 30.24 29.06 1sku n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1sku n LEU 74 N -0.21 0.21 -0.24 1.08 4.77 -0.14 -4.75 117.00 117.72 1sku n LEU 74 Ca 0.00 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1sku n LEU 74 Cb 0.14 0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1sku n LEU 74 CO 0.00 0.43 0.42 0.00 -1.33 0.00 0.00 177.39 176.91 1sku n ALA 75 N -2.63 -0.36 -0.30 -1.18 0.00 -1.16 0.48 120.51 115.35 1sku n ALA 75 Ca -0.27 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sku n ALA 75 Cb 1.02 0.07 0.06 0.00 0.00 0.00 0.00 19.45 20.60 1sku n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sku h LEU 76 N 0.00 -1.05 0.01 0.00 7.12 -1.85 0.14 115.31 119.67 1sku h LEU 76 Ca 0.09 0.26 -0.00 0.00 0.13 0.00 0.00 57.88 58.36 1sku h LEU 76 Cb 0.23 0.60 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 1sku h LEU 76 CO -0.53 -0.29 -0.01 1.88 -0.13 0.00 0.00 178.44 179.36 1sku h TYR 77 N -0.04 -0.01 -3.56 1.25 0.05 -1.46 -3.41 116.97 109.78 1sku h TYR 77 Ca 0.35 -0.00 -0.78 0.00 0.05 0.00 0.00 58.73 58.35 1sku h TYR 77 Cb 0.60 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.05 1sku h TYR 77 CO -0.71 -0.01 0.30 0.00 -1.05 0.00 0.00 178.16 176.69 1sku s ALA 78 N -2.83 4.55 0.16 3.88 0.00 0.18 -4.88 121.76 122.82 1sku s ALA 78 Ca -0.00 -3.76 0.15 0.00 0.00 0.00 0.00 51.96 48.35 1sku s ALA 78 Cb 0.00 -3.43 0.45 0.00 0.00 0.00 0.00 23.12 20.15 1sku s ALA 78 CO 0.01 -2.20 1.63 -1.00 0.00 0.00 0.00 175.76 174.20 1sku h PRO 79 N 6.73 0.00 -3.15 0.00 0.13 -1.14 -3.35 132.00 131.22 1sku h PRO 79 Ca 0.16 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.64 1sku h PRO 79 Cb 0.89 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.62 1sku h PRO 79 CO 0.95 0.51 -0.42 -0.65 -0.23 0.00 0.00 178.00 178.15 1sku s GLN 80 N -3.48 2.73 0.00 0.86 1.11 -1.26 -4.81 119.66 114.82 1sku s GLN 80 Ca 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 55.36 52.02 1sku s GLN 80 Cb 0.11 -3.60 0.00 0.00 -1.01 0.00 0.00 33.01 28.52 1sku s GLN 80 CO 0.73 -1.28 0.00 0.00 0.01 0.00 0.00 175.29 174.74 1sku n ALA 81 N 2.05 0.00 -3.76 6.09 0.00 -1.26 -4.40 120.51 119.23 1sku n ALA 81 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 1sku n ALA 81 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.83 1sku n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sku s THR 82 N -2.31 0.00 -0.26 0.00 -4.23 -0.53 -3.98 115.64 104.33 1sku s THR 82 Ca 0.00 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1sku s THR 82 Cb 0.00 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.01 1sku s THR 82 CO 0.00 0.00 0.30 -0.69 -0.54 0.00 0.00 174.62 173.69 1sku s VAL 83 N -2.17 -0.43 -0.32 2.29 1.01 0.29 -3.24 120.40 117.82 1sku s VAL 83 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1sku s VAL 83 Cb -0.05 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.52 1sku s VAL 83 CO 0.12 -0.35 0.02 0.54 0.00 0.00 0.00 175.10 175.44 1sku s ASN 84 N 2.39 4.77 -0.47 3.32 2.20 -1.22 0.19 114.94 126.12 1sku s ASN 84 Ca 0.09 -1.78 -0.42 0.00 -0.94 0.00 0.00 52.86 49.82 1sku s ASN 84 Cb -0.14 -1.65 -0.17 0.00 -2.00 0.00 0.00 41.25 37.28 1sku s ASN 84 CO -0.26 -0.33 2.16 0.54 -2.94 0.00 0.00 177.10 176.28 1sku n ARG 85 N 4.42 0.25 -3.68 3.55 1.74 -1.26 -4.07 116.66 117.62 1sku n ARG 85 Ca -0.05 0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 1sku n ARG 85 Cb 0.42 -1.73 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 1sku n ARG 85 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1sku s ILE 86 N 6.39 5.38 0.09 0.55 1.10 -1.19 -3.29 121.20 130.23 1sku s ILE 86 Ca 1.18 0.24 0.00 0.00 -0.51 0.00 0.00 60.65 61.56 1sku s ILE 86 Cb -1.34 -3.51 0.00 0.00 0.15 0.00 0.00 42.46 37.76 1sku s ILE 86 CO 0.62 0.40 0.00 -0.67 -2.11 0.00 0.00 174.94 173.17 1sku n ASP 87 N 3.80 0.40 0.00 4.50 4.64 -1.26 -2.25 116.55 126.38 1sku n ASP 87 Ca -0.15 0.14 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 1sku n ASP 87 Cb 0.52 -0.06 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 1sku n ASP 87 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1sku n ASN 88 N -3.21 0.00 -2.81 1.67 2.85 -1.26 -3.71 115.26 108.79 1sku n ASN 88 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 1sku n ASN 88 Cb 0.16 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.17 1sku n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sku n TYR 89 N 0.00 -3.10 -0.58 1.20 4.02 -1.26 -4.98 117.16 112.46 1sku n TYR 89 Ca 0.00 1.49 0.00 0.00 -0.01 0.00 0.00 57.90 59.38 1sku n TYR 89 Cb 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 39.34 36.08 1sku n TYR 89 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1sku n GLU 90 N 1.12 0.00 0.00 -0.72 2.13 -1.26 -5.17 120.64 116.74 1sku n GLU 90 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1sku n GLU 90 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.93 1sku n GLU 90 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1sku n VAL 91 N 9.00 0.00 -3.65 6.31 0.31 -1.26 -4.89 118.33 124.15 1sku n VAL 91 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1sku n VAL 91 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1sku n VAL 91 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1sku n VAL 92 N -0.40 2.07 -1.83 2.52 0.24 -1.21 -4.95 118.33 114.77 1sku n VAL 92 Ca 0.00 -5.07 -0.01 0.00 -2.04 0.00 0.00 64.34 57.22 1sku n VAL 92 Cb 0.00 -2.15 -0.01 0.00 -1.47 0.00 0.00 33.84 30.21 1sku n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sku n GLY 93 N 1.38 -3.57 2.56 7.63 0.00 -1.26 -4.14 105.19 107.79 1sku n GLY 93 Ca 0.25 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 1sku n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sku n LYS 94 N 0.44 2.91 -1.62 1.61 5.02 -1.21 -4.17 118.16 121.14 1sku n LYS 94 Ca -0.10 -2.09 -0.45 0.00 -2.02 0.00 0.00 58.31 53.65 1sku n LYS 94 Cb 0.16 -2.85 -0.04 0.00 -0.02 0.00 0.00 35.03 32.28 1sku n LYS 94 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1sku n SER 95 N 4.72 3.41 -4.74 4.39 3.41 0.49 -3.71 113.62 121.60 1sku n SER 95 Ca 0.62 0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 59.56 1sku n SER 95 Cb 0.26 -1.45 0.12 0.00 -0.26 0.00 0.00 64.21 62.87 1sku n SER 95 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sku s ARG 96 N 5.18 1.81 1.17 4.33 0.52 -1.26 0.10 118.95 130.81 1sku s ARG 96 Ca 0.97 1.19 -0.15 0.00 -0.52 0.00 0.00 55.73 57.21 1sku s ARG 96 Cb -0.54 -1.84 0.27 0.00 0.52 0.00 0.00 34.95 33.36 1sku s ARG 96 CO 0.44 -1.96 1.05 -1.25 0.02 0.00 0.00 175.30 173.59 1sku s PRO 97 N -4.85 -0.95 -0.28 3.54 0.04 -1.26 -4.81 135.00 126.43 1sku s PRO 97 Ca 0.63 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 1sku s PRO 97 Cb -0.18 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1sku s PRO 97 CO 0.57 -3.64 0.81 -1.12 0.04 0.00 0.00 177.00 173.65 1sku s SER 98 N -3.17 -0.77 -0.56 6.66 0.01 -1.24 -4.84 113.70 109.78 1sku s SER 98 Ca 0.68 1.23 -0.39 0.00 1.31 0.00 0.00 55.95 58.78 1sku s SER 98 Cb -0.18 1.33 -0.18 0.00 0.21 0.00 0.00 66.02 67.20 1sku s SER 98 CO 0.60 -0.19 2.27 -0.11 0.41 0.00 0.00 173.24 176.21 1sku n LEU 99 N 4.09 1.00 -4.76 2.44 7.94 -1.25 -4.27 117.00 122.19 1sku n LEU 99 Ca -0.19 0.49 -0.30 0.00 -1.11 0.00 0.00 56.01 54.90 1sku n LEU 99 Cb 0.58 -1.00 0.11 0.00 0.53 0.00 0.00 43.42 43.64 1sku n LEU 99 CO -0.00 -0.78 0.69 -2.16 -1.11 0.00 0.00 177.39 174.03 1sku s PRO 100 N 6.70 1.65 -0.03 1.96 0.04 -1.21 -4.93 135.00 139.19 1sku s PRO 100 Ca 1.20 0.70 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1sku s PRO 100 Cb -1.28 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 31.61 1sku s PRO 100 CO 0.58 -1.93 1.04 -1.91 0.04 0.00 0.00 177.00 174.81 1sku n GLU 101 N -3.66 1.76 0.00 4.56 2.13 -1.26 -4.51 120.64 119.66 1sku n GLU 101 Ca 0.07 -0.83 0.00 0.00 0.66 0.00 0.00 57.16 57.06 1sku n GLU 101 Cb 0.56 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1sku n GLU 101 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1sku n ARG 102 N 0.15 0.00 -3.89 5.31 0.63 -1.26 -3.60 116.66 114.00 1sku n ARG 102 Ca 0.08 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.72 1sku n ARG 102 Cb 0.32 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.07 1sku n ARG 102 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1sku s ILE 103 N -0.95 1.13 0.12 5.15 1.01 -0.32 -4.92 121.20 122.42 1sku s ILE 103 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.08 1sku s ILE 103 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1sku s ILE 103 CO 0.00 0.12 -0.23 -1.81 0.00 0.00 0.00 174.94 173.01 1sku s ASP 104 N 1.62 2.89 -0.18 3.58 1.11 -1.26 -1.38 116.67 123.04 1sku s ASP 104 Ca 0.00 -0.73 0.00 0.00 0.18 0.00 0.00 52.55 52.00 1sku s ASP 104 Cb -0.15 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.66 1sku s ASP 104 CO -0.08 0.10 0.00 0.59 1.18 0.00 0.00 175.17 176.97 1sku n ASN 105 N 0.93 -3.89 -0.82 0.27 3.02 -1.15 -4.80 115.26 108.81 1sku n ASN 105 Ca -0.18 0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.38 1sku n ASN 105 Cb 0.54 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.13 1sku n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1sku n VAL 106 N -2.72 0.00 -3.68 2.41 0.24 -1.26 -4.82 118.33 108.49 1sku n VAL 106 Ca -0.02 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 1sku n VAL 106 Cb 0.17 0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 1sku n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sku s LEU 107 N 0.00 -0.29 0.08 1.34 1.43 -1.26 -5.10 118.68 114.89 1sku s LEU 107 Ca 0.04 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.13 1sku s LEU 107 Cb 0.04 1.53 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1sku s LEU 107 CO -0.02 -0.20 0.26 -0.69 0.23 0.00 0.00 176.35 175.93 1sku s VAL 108 N 1.54 5.32 0.11 -1.59 1.01 -1.26 -4.79 120.40 120.74 1sku s VAL 108 Ca -0.09 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1sku s VAL 108 Cb -0.08 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1sku s VAL 108 CO -0.14 0.12 0.85 0.00 0.00 0.00 0.00 175.10 175.92 1sku h PRO 110 N 5.21 0.00 -6.14 0.00 0.11 -1.92 -3.41 132.00 125.84 1sku h PRO 110 Ca -0.44 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 1sku h PRO 110 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1sku h PRO 110 CO 0.70 0.09 1.20 1.21 -0.21 0.00 0.00 178.00 181.00 1sku s ASN 111 N -5.90 6.00 0.32 -2.05 2.47 -1.26 -4.85 114.94 109.66 1sku s ASN 111 Ca 0.00 -0.66 0.09 0.00 0.42 0.00 0.00 52.86 52.71 1sku s ASN 111 Cb 0.10 -2.56 0.88 0.00 -1.45 0.00 0.00 41.25 38.22 1sku s ASN 111 CO 0.57 -1.93 1.72 0.77 -3.72 0.00 0.00 177.10 174.51 1sku h SER 112 N 10.90 0.61 -0.11 -4.21 4.64 -2.03 0.44 113.55 123.78 1sku h SER 112 Ca -0.08 0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1sku h SER 112 Cb 1.05 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1sku h SER 112 CO 1.31 0.07 0.09 -3.20 -0.87 0.00 0.00 176.83 174.23 1sku n ASN 113 N -4.92 4.99 -4.82 4.97 5.15 -1.26 -4.86 115.26 114.51 1sku n ASN 113 Ca 0.27 -2.47 -0.38 0.00 -0.60 0.00 0.00 54.58 51.40 1sku n ASN 113 Cb 0.75 -0.97 -0.06 0.00 -0.53 0.00 0.00 39.78 38.97 1sku n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sku h ILE 115 N 3.91 1.00 0.00 0.00 6.09 -1.89 -3.06 117.51 123.56 1sku h ILE 115 Ca -0.50 -0.77 0.00 0.00 -1.37 0.00 0.00 64.86 62.22 1sku h ILE 115 Cb 1.21 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.93 1sku h ILE 115 CO 0.64 0.21 0.00 -1.54 -3.07 0.00 0.00 178.15 174.38 1sku n SER 116 N -4.07 0.00 -0.08 2.19 3.41 -1.26 -4.06 113.62 109.76 1sku n SER 116 Ca -0.02 -0.96 -0.21 0.00 -0.26 0.00 0.00 58.87 57.41 1sku n SER 116 Cb 0.29 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 1sku n SER 116 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1sku h HIS 117 N 0.00 0.10 -0.69 7.33 3.86 -1.89 -3.37 115.15 120.49 1sku h HIS 117 Ca 0.00 -0.07 -0.40 0.00 -1.16 0.00 0.00 60.37 58.74 1sku h HIS 117 Cb 0.00 -0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.24 1sku h HIS 117 CO 0.00 1.49 0.22 0.00 0.86 0.00 0.00 177.93 180.50 1sku n ALA 118 N -3.25 5.10 -2.60 2.45 0.00 -1.26 -4.97 120.51 115.98 1sku n ALA 118 Ca -0.29 -3.19 -0.28 0.00 0.00 0.00 0.00 53.44 49.68 1sku n ALA 118 Cb 0.73 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1sku n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sku s GLU 119 N -3.39 2.18 -1.22 0.00 0.41 -1.26 -5.04 118.70 110.39 1sku s GLU 119 Ca 0.52 -1.15 -0.08 0.00 -0.41 0.00 0.00 54.97 53.85 1sku s GLU 119 Cb 0.45 -2.26 -0.05 0.00 -1.78 0.00 0.00 34.13 30.49 1sku s GLU 119 CO 0.03 0.46 2.89 -0.35 -0.49 0.00 0.00 175.26 177.81 1sku n PRO 120 N 0.19 3.60 -4.26 0.39 -0.04 -1.26 -4.85 135.00 128.77 1sku n PRO 120 Ca -0.11 -2.38 -0.15 0.00 -0.04 0.00 0.00 63.50 60.82 1sku n PRO 120 Cb 0.54 -2.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1sku n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sku s VAL 121 N 0.76 0.19 -0.03 0.52 -7.23 -1.26 -5.17 120.40 108.18 1sku s VAL 121 Ca 0.64 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1sku s VAL 121 Cb 0.22 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1sku s VAL 121 CO -0.07 0.00 0.10 -0.44 -0.31 0.00 0.00 175.10 174.38 1sku s SER 122 N -3.25 5.87 0.79 4.85 0.01 -1.26 -5.06 113.70 115.65 1sku s SER 122 Ca 0.38 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.77 1sku s SER 122 Cb 0.06 -1.75 0.07 0.00 0.21 0.00 0.00 66.02 64.61 1sku s SER 122 CO 0.15 0.30 1.09 -0.94 0.41 0.00 0.00 173.24 174.25 1sku s SER 123 N -1.58 4.38 -0.29 2.44 1.04 -1.26 -4.89 113.70 113.54 1sku s SER 123 Ca 0.22 1.78 -0.15 0.00 0.48 0.00 0.00 55.95 58.28 1sku s SER 123 Cb -0.12 -2.48 0.14 0.00 0.10 0.00 0.00 66.02 63.66 1sku s SER 123 CO 0.12 -2.11 0.88 -0.55 0.98 0.00 0.00 173.24 172.56 1sku s SER 124 N -3.40 -0.71 0.21 7.02 0.15 -1.26 -2.93 113.70 112.79 1sku s SER 124 Ca 0.61 1.05 0.07 0.00 0.70 0.00 0.00 55.95 58.39 1sku s SER 124 Cb -0.17 1.56 -0.05 0.00 -1.71 0.00 0.00 66.02 65.65 1sku s SER 124 CO 0.56 -0.16 -0.12 -0.36 1.20 0.00 0.00 173.24 174.36 1sku s PHE 125 N 1.98 1.72 0.19 3.44 0.40 -0.48 -2.20 117.98 123.04 1sku s PHE 125 Ca -0.07 -0.61 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1sku s PHE 125 Cb -0.06 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 1sku s PHE 125 CO -0.17 0.32 0.22 0.00 0.70 0.00 0.00 175.22 176.29 1sku s ALA 126 N -3.01 3.74 0.05 5.36 0.00 -0.73 -1.18 121.76 125.98 1sku s ALA 126 Ca 0.24 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1sku s ALA 126 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1sku s ALA 126 CO 0.07 0.42 -0.22 0.54 0.00 0.00 0.00 175.76 176.58 1sku s VAL 127 N -1.86 1.80 -0.30 0.00 0.11 -1.24 -2.45 120.40 116.46 1sku s VAL 127 Ca 0.33 -1.26 -0.16 0.00 -2.93 0.00 0.00 61.98 57.96 1sku s VAL 127 Cb -0.10 -1.55 0.18 0.00 -1.53 0.00 0.00 36.38 33.38 1sku s VAL 127 CO 0.26 0.24 1.12 0.00 -3.33 0.00 0.00 175.10 173.39 1sku s ARG 128 N -1.21 0.20 0.23 1.54 1.70 -1.25 -4.92 118.95 115.24 1sku s ARG 128 Ca 0.09 0.38 -0.07 0.00 -0.47 0.00 0.00 55.73 55.66 1sku s ARG 128 Cb -0.09 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.31 1sku s ARG 128 CO 0.02 -0.05 0.50 0.21 -1.08 0.00 0.00 175.30 174.91 1sku s LYS 129 N 1.37 3.70 0.00 3.89 2.20 -1.26 -2.71 119.74 126.93 1sku s LYS 129 Ca -0.07 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1sku s LYS 129 Cb -0.03 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1sku s LYS 129 CO -0.13 0.32 0.00 2.89 -0.36 0.00 0.00 175.35 178.07 1sku n ARG 130 N -0.35 0.00 0.00 4.03 0.00 -1.07 -4.97 116.66 114.30 1sku n ARG 130 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1sku n ARG 130 Cb 0.53 -0.41 0.00 0.00 -0.00 0.00 0.00 32.46 32.58 1sku n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sku n ALA 131 N -2.41 0.00 -0.01 2.89 0.00 -1.26 -4.98 120.51 114.73 1sku n ALA 131 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1sku n ALA 131 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1sku n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1sku n ASN 132 N 0.00 2.87 -3.43 0.00 0.23 -1.26 -5.12 115.26 108.54 1sku n ASN 132 Ca 0.00 -0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1sku n ASN 132 Cb 0.00 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 37.61 1sku n ASN 132 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1sku s ASP 133 N -4.47 0.70 -0.51 0.53 1.47 -1.26 -5.11 116.67 108.01 1sku s ASP 133 Ca -0.03 -1.39 -0.09 0.00 1.18 0.00 0.00 52.55 52.22 1sku s ASP 133 Cb 0.01 0.63 0.13 0.00 -0.34 0.00 0.00 42.92 43.35 1sku s ASP 133 CO 0.05 -1.24 0.38 -0.63 0.68 0.00 0.00 175.17 174.41 1sku s ILE 134 N -3.28 4.27 -0.36 2.11 -1.09 -1.26 -2.58 121.20 119.00 1sku s ILE 134 Ca 0.30 -1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 56.49 1sku s ILE 134 Cb 0.00 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1sku s ILE 134 CO 0.18 -0.80 1.28 0.00 -1.23 0.00 0.00 174.94 174.37 1sku s ALA 135 N 1.16 3.27 -0.24 9.38 0.00 -1.10 -1.06 121.76 133.18 1sku s ALA 135 Ca 0.07 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 1sku s ALA 135 Cb -0.25 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 1sku s ALA 135 CO -0.02 -1.97 0.43 -0.48 0.00 0.00 0.00 175.76 173.73 1sku s LEU 136 N 4.57 4.09 0.33 0.00 2.34 0.45 -3.82 118.68 126.64 1sku s LEU 136 Ca 0.55 0.46 -0.13 0.00 0.06 0.00 0.00 54.13 55.07 1sku s LEU 136 Cb -0.14 -2.54 -0.08 0.00 -0.56 0.00 0.00 46.19 42.87 1sku s LEU 136 CO 0.26 -0.18 0.72 -0.75 -1.06 0.00 0.00 176.35 175.34 1sku s LYS 137 N 1.85 3.93 0.27 1.48 2.20 -1.03 -2.46 119.74 125.98 1sku s LYS 137 Ca 0.19 0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 56.16 1sku s LYS 137 Cb -0.15 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.63 1sku s LYS 137 CO 0.09 0.13 0.79 0.00 -0.36 0.00 0.00 175.35 176.00 1sku h LYS 139 N 3.19 0.25 0.00 0.00 3.64 -1.78 -3.03 116.57 118.84 1sku h LYS 139 Ca -0.48 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1sku h LYS 139 Cb 1.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1sku h LYS 139 CO 0.65 0.77 0.00 0.66 -2.27 0.00 0.00 179.45 179.26 1sku n TYR 140 N -4.57 0.00 0.18 1.91 4.02 -1.26 -4.28 117.16 113.15 1sku n TYR 140 Ca -0.08 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.98 1sku n TYR 140 Cb 0.40 -0.19 0.79 0.00 -0.02 0.00 0.00 39.34 40.32 1sku n TYR 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sku n GLU 142 N -3.93 -0.63 -3.76 0.00 1.02 -1.14 -5.02 120.64 107.17 1sku n GLU 142 Ca 0.02 0.81 -0.34 0.00 -0.02 0.00 0.00 57.16 57.64 1sku n GLU 142 Cb 0.35 -4.69 -0.05 0.00 -0.02 0.00 0.00 31.44 27.03 1sku n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sku s LYS 143 N -2.73 3.57 -0.13 3.49 1.02 -1.26 -4.70 119.74 119.00 1sku s LYS 143 Ca 0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 1sku s LYS 143 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1sku s LYS 143 CO 0.00 0.62 0.10 -2.00 -0.92 0.00 0.00 175.35 173.14 1sku s GLU 144 N -1.98 3.50 0.12 1.68 2.12 -1.26 -1.03 118.70 121.84 1sku s GLU 144 Ca 0.30 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.45 1sku s GLU 144 Cb -0.13 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1sku s GLU 144 CO 0.19 0.65 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.39 1sku s PHE 145 N -0.67 1.15 -0.03 5.30 0.40 -1.03 -4.99 117.98 118.12 1sku s PHE 145 Ca 0.12 -0.70 -0.26 0.00 -0.60 0.00 0.00 56.93 55.49 1sku s PHE 145 Cb -0.12 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1sku s PHE 145 CO 0.02 0.03 0.82 -1.12 0.70 0.00 0.00 175.22 175.68 1sku s SER 146 N -2.73 7.16 0.33 1.36 0.01 -1.26 -0.41 113.70 118.15 1sku s SER 146 Ca 0.10 1.40 0.18 0.00 1.31 0.00 0.00 55.95 58.94 1sku s SER 146 Cb -0.01 -2.48 1.18 0.00 0.21 0.00 0.00 66.02 64.92 1sku s SER 146 CO 0.00 -0.16 1.41 0.00 0.41 0.00 0.00 173.24 174.90 1sku n HIS 147 N 3.73 1.02 0.16 2.43 1.44 -0.22 0.15 115.22 123.93 1sku n HIS 147 Ca 0.01 1.05 0.05 0.00 -2.01 0.00 0.00 57.72 56.83 1sku n HIS 147 Cb 0.51 -1.45 0.51 0.00 0.12 0.00 0.00 29.99 29.69 1sku n HIS 147 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1sku h ASN 148 N 0.00 0.16 0.14 4.39 4.21 -1.92 0.43 115.58 123.00 1sku h ASN 148 Ca 0.75 -0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.99 1sku h ASN 148 Cb 1.96 -0.04 0.01 0.00 -1.12 0.00 0.00 38.32 39.13 1sku h ASN 148 CO -0.69 0.19 -1.20 0.58 -1.29 0.00 0.00 177.43 175.03 1sku h VAL 149 N 0.18 1.25 0.00 2.81 2.07 0.11 -3.28 116.25 119.39 1sku h VAL 149 Ca 0.04 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1sku h VAL 149 Cb 0.12 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1sku h VAL 149 CO 0.00 0.73 0.00 0.52 0.02 0.00 0.00 177.57 178.84 1sku n VAL 150 N -3.97 0.61 0.00 2.57 0.31 -0.94 -3.92 118.33 112.99 1sku n VAL 150 Ca -0.20 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1sku n VAL 150 Cb 0.90 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1sku n VAL 150 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1sku n LEU 151 N -1.70 1.02 -4.82 7.52 -0.00 0.15 -4.28 117.00 114.89 1sku n LEU 151 Ca 0.05 0.19 -0.27 0.00 -0.00 0.00 0.00 56.01 55.97 1sku n LEU 151 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 1sku n LEU 151 CO 0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 177.39 177.51 1sku s ALA 152 N -2.94 4.12 0.00 1.96 0.00 -1.25 -4.86 121.76 118.79 1sku s ALA 152 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1sku s ALA 152 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1sku s ALA 152 CO 0.00 -0.26 0.00 0.09 0.00 0.00 0.00 175.76 175.59