#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iut n PRO 2 N 0.00 0.73 0.21 0.00 -0.02 -1.26 -4.91 135.00 129.76 3iut n PRO 2 Ca 0.00 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3iut n PRO 2 Cb 0.00 -2.06 0.47 0.00 -0.02 0.00 0.00 33.50 31.89 3iut n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iut h ALA 3 N 0.29 1.61 -2.73 3.55 0.00 -1.99 -3.45 119.26 116.54 3iut h ALA 3 Ca -0.48 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 3iut h ALA 3 Cb 1.37 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 3iut h ALA 3 CO 0.49 0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.71 3iut s ALA 4 N -4.52 -0.75 -0.02 0.00 0.00 -1.26 -0.26 121.76 114.95 3iut s ALA 4 Ca -0.04 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3iut s ALA 4 Cb 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3iut s ALA 4 CO 0.70 -0.21 0.06 0.08 0.00 0.00 0.00 175.76 176.39 3iut s VAL 5 N -0.67 -0.00 -0.26 0.00 1.01 -0.25 -4.99 120.40 115.24 3iut s VAL 5 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 3iut s VAL 5 Cb -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 36.38 36.37 3iut s VAL 5 CO 0.02 0.00 0.27 -0.62 0.00 0.00 0.00 175.10 174.78 3iut s ASP 6 N 0.09 1.57 0.47 3.32 3.68 -1.26 -0.98 116.67 123.56 3iut s ASP 6 Ca -0.00 -0.55 0.32 0.00 2.13 0.00 0.00 52.55 54.44 3iut s ASP 6 Cb -0.01 0.48 1.63 0.00 -1.45 0.00 0.00 42.92 43.56 3iut s ASP 6 CO -0.00 -0.37 1.97 -0.50 0.13 0.00 0.00 175.17 176.40 3iut h TRP 7 N 8.28 0.00 0.00 -5.34 4.06 -1.69 -0.34 115.95 120.92 3iut h TRP 7 Ca -0.15 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3iut h TRP 7 Cb 1.10 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 3iut h TRP 7 CO 0.23 0.00 -0.03 0.00 -3.56 0.00 0.00 178.44 175.07 3iut h ARG 8 N 0.00 0.00 0.00 0.49 3.08 -1.94 -2.34 114.38 113.67 3iut h ARG 8 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iut h ARG 8 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3iut h ARG 8 CO 0.00 0.03 -0.01 0.00 -1.07 0.00 0.00 179.97 178.92 3iut h ALA 9 N 1.97 1.03 -0.03 0.04 0.00 -1.46 -1.63 119.26 119.18 3iut h ALA 9 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iut h ALA 9 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iut h ALA 9 CO 0.00 0.01 -0.05 0.54 0.00 0.00 0.00 179.25 179.76 3iut n ARG 10 N -3.13 2.13 -2.19 0.00 5.12 -0.89 -4.96 116.66 112.74 3iut n ARG 10 Ca -0.02 -1.71 -0.12 0.00 -1.93 0.00 0.00 57.85 54.07 3iut n ARG 10 Cb 0.16 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 29.99 3iut n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iut n GLY 11 N 1.34 -0.06 0.37 -0.13 0.00 -0.61 -4.93 105.19 101.16 3iut n GLY 11 Ca 0.14 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3iut n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iut n ALA 12 N -1.46 2.81 -3.35 4.61 0.00 -1.13 -4.87 120.51 117.11 3iut n ALA 12 Ca -0.14 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 3iut n ALA 12 Cb 0.60 -1.15 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 3iut n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iut s VAL 13 N -2.24 1.55 0.98 0.00 1.01 -1.26 -4.19 120.40 116.25 3iut s VAL 13 Ca 0.31 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3iut s VAL 13 Cb 0.20 -1.37 0.18 0.00 0.00 0.00 0.00 36.38 35.39 3iut s VAL 13 CO 0.42 0.45 1.10 0.42 0.00 0.00 0.00 175.10 177.49 3iut s THR 14 N 0.51 2.09 0.79 3.92 -4.23 -1.26 -5.01 115.64 112.45 3iut s THR 14 Ca -0.16 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 3iut s THR 14 Cb -0.17 -2.56 0.07 0.00 1.34 0.00 0.00 72.50 71.19 3iut s THR 14 CO 0.06 -0.04 1.18 0.00 -0.54 0.00 0.00 174.62 175.28 3iut s ALA 15 N -3.01 1.94 0.26 3.99 0.00 -1.26 -4.95 121.76 118.73 3iut s ALA 15 Ca 0.65 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3iut s ALA 15 Cb -0.18 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 3iut s ALA 15 CO 0.57 -2.13 1.41 0.08 0.00 0.00 0.00 175.76 175.69 3iut s VAL 16 N -2.28 2.71 0.46 0.00 1.01 -1.26 -5.03 120.40 116.00 3iut s VAL 16 Ca 0.71 0.61 0.05 0.00 0.00 0.00 0.00 61.98 63.35 3iut s VAL 16 Cb -0.26 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3iut s VAL 16 CO 0.50 0.11 0.38 0.29 0.00 0.00 0.00 175.10 176.38 3iut n LYS 17 N 2.06 0.80 -3.70 2.72 5.02 -1.26 -4.71 118.16 119.10 3iut n LYS 17 Ca 0.05 -2.80 -0.28 0.00 -2.02 0.00 0.00 58.31 53.26 3iut n LYS 17 Cb 0.41 0.23 -0.16 0.00 -0.02 0.00 0.00 35.03 35.49 3iut n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3iut s ASP 18 N -3.71 2.91 0.46 4.39 3.68 -1.26 -1.76 116.67 121.39 3iut s ASP 18 Ca 0.29 -0.87 0.29 0.00 2.13 0.00 0.00 52.55 54.39 3iut s ASP 18 Cb -0.02 -0.53 0.99 0.00 -1.45 0.00 0.00 42.92 41.91 3iut s ASP 18 CO 0.18 -0.33 1.83 0.06 0.13 0.00 0.00 175.17 177.04 3iut h GLN 19 N 8.28 0.00 0.00 4.34 3.07 -1.56 -3.48 115.11 125.76 3iut h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3iut h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 3iut h GLN 19 CO 0.34 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.67 3iut n GLY 20 N 0.43 1.05 0.63 0.06 0.00 -1.26 -3.34 105.19 102.76 3iut n GLY 20 Ca 0.02 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.41 3iut n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iut n GLN 21 N 6.06 1.82 -2.79 1.61 1.13 0.07 -4.87 117.38 120.42 3iut n GLN 21 Ca 0.00 -1.25 -0.41 0.00 -1.94 0.00 0.00 57.00 53.41 3iut n GLN 21 Cb 0.00 -1.39 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 3iut n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iut n GLY 23 N 2.14 3.88 0.87 0.00 0.00 -0.22 -4.53 105.19 107.34 3iut n GLY 23 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.80 3iut n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iut n SER 24 N 4.08 3.80 -0.32 1.61 3.41 -1.26 -2.53 113.62 122.41 3iut n SER 24 Ca 0.66 -2.92 0.10 0.00 -0.26 0.00 0.00 58.87 56.45 3iut n SER 24 Cb 0.22 -0.52 0.31 0.00 -0.26 0.00 0.00 64.21 63.97 3iut n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iut h TRP 26 N 0.83 0.97 -0.09 0.00 5.08 -1.84 0.20 115.95 121.11 3iut h TRP 26 Ca 0.48 0.03 -0.19 0.00 1.08 0.00 0.00 58.89 60.29 3iut h TRP 26 Cb 0.64 -0.30 0.01 0.00 -3.00 0.00 0.00 29.16 26.51 3iut h TRP 26 CO -0.00 0.34 -0.69 0.00 -1.28 0.00 0.00 178.44 176.81 3iut h ALA 27 N 1.59 0.20 -0.69 0.11 0.00 -1.32 -2.11 119.26 117.03 3iut h ALA 27 Ca 0.49 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iut h ALA 27 Cb 0.69 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3iut h ALA 27 CO -0.26 0.51 0.32 0.74 0.00 0.00 0.00 179.25 180.57 3iut h PHE 28 N 0.26 1.01 0.04 0.00 -1.00 -1.07 0.41 116.94 116.58 3iut h PHE 28 Ca -0.06 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 3iut h PHE 28 Cb 1.34 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.59 3iut h PHE 28 CO 0.11 0.75 -0.02 1.03 -1.61 0.00 0.00 178.31 178.58 3iut h SER 29 N 0.97 -0.04 -0.17 2.17 0.87 -0.99 -0.02 113.55 116.35 3iut h SER 29 Ca 0.24 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3iut h SER 29 Cb 0.13 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3iut h SER 29 CO -0.03 0.05 0.05 0.00 -0.53 0.00 0.00 176.83 176.37 3iut h ALA 30 N 0.82 0.22 -0.57 6.23 0.00 -1.27 -2.40 119.26 122.29 3iut h ALA 30 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3iut h ALA 30 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iut h ALA 30 CO 0.01 -0.17 0.04 0.82 0.00 0.00 0.00 179.25 179.96 3iut h ILE 31 N 0.09 1.26 -0.84 0.00 1.08 -0.92 -1.00 117.51 117.19 3iut h ILE 31 Ca 0.05 -1.06 0.03 0.00 -0.39 0.00 0.00 64.86 63.50 3iut h ILE 31 Cb 0.22 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 3iut h ILE 31 CO -0.00 0.38 0.54 1.23 -0.69 0.00 0.00 178.15 179.61 3iut h GLY 32 N 0.87 1.22 0.98 5.37 0.00 -0.97 0.12 103.07 110.66 3iut h GLY 32 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3iut h GLY 32 CO 0.02 0.35 0.28 -0.57 0.00 0.00 0.00 176.54 176.62 3iut h ASN 33 N 1.04 0.71 -0.57 0.19 -0.73 -1.11 -2.36 115.58 112.76 3iut h ASN 33 Ca 0.34 -0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.34 3iut h ASN 33 Cb 0.01 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 3iut h ASN 33 CO -0.12 0.63 0.16 0.58 -0.37 0.00 0.00 177.43 178.31 3iut h VAL 34 N 0.75 1.24 -0.45 2.57 2.07 -0.35 -0.68 116.25 121.40 3iut h VAL 34 Ca 0.19 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.93 3iut h VAL 34 Cb 0.09 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3iut h VAL 34 CO -0.03 0.32 0.11 -0.33 0.02 0.00 0.00 177.57 177.66 3iut h GLU 35 N 0.81 0.24 -0.29 1.57 5.08 -0.62 0.13 114.58 121.50 3iut h GLU 35 Ca 0.18 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3iut h GLU 35 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3iut h GLU 35 CO -0.00 0.16 -0.17 0.00 -1.00 0.00 0.00 179.01 178.00 3iut h GLN 37 N 0.38 0.96 -0.06 0.00 1.08 -0.78 -1.43 115.11 115.26 3iut h GLN 37 Ca 0.06 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3iut h GLN 37 Cb 0.70 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3iut h GLN 37 CO 0.05 0.82 0.03 2.35 -0.95 0.00 0.00 178.83 181.13 3iut h TRP 38 N 0.93 0.08 -0.44 2.96 2.91 -0.71 -1.90 115.95 119.78 3iut h TRP 38 Ca 0.21 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.28 3iut h TRP 38 Cb 0.25 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.82 3iut h TRP 38 CO 0.02 0.15 0.16 0.35 -1.03 0.00 0.00 178.44 178.08 3iut h PHE 39 N -0.01 0.29 0.00 2.65 3.04 -1.25 -2.24 116.94 119.42 3iut h PHE 39 Ca 0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3iut h PHE 39 Cb 0.09 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3iut h PHE 39 CO -0.04 0.11 0.00 1.28 -2.02 0.00 0.00 178.31 177.64 3iut n LEU 40 N -5.00 0.07 -0.14 0.59 4.77 -0.56 0.45 117.00 117.19 3iut n LEU 40 Ca 0.03 0.52 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3iut n LEU 40 Cb 0.16 -0.51 0.65 0.00 -2.33 0.00 0.00 43.42 41.40 3iut n LEU 40 CO 0.26 -0.26 0.91 0.00 -1.33 0.00 0.00 177.39 176.97 3iut n ALA 41 N -1.53 2.72 -0.05 -1.18 0.00 -0.73 -4.97 120.51 114.77 3iut n ALA 41 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3iut n ALA 41 Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3iut n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iut n GLY 42 N 1.23 1.89 3.53 0.00 0.00 0.17 -5.07 105.19 106.93 3iut n GLY 42 Ca 0.16 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3iut n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iut s HIS 43 N -2.00 2.40 -0.13 1.61 3.76 -1.19 -5.03 115.29 114.71 3iut s HIS 43 Ca 0.00 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 3iut s HIS 43 Cb 0.00 -1.18 -0.08 0.00 1.11 0.00 0.00 32.58 32.42 3iut s HIS 43 CO 0.00 0.64 2.09 -2.30 -0.85 0.00 0.00 174.74 174.32 3iut n PRO 44 N -0.74 2.18 -1.42 8.40 -0.02 -1.26 -4.31 135.00 137.83 3iut n PRO 44 Ca -0.05 0.71 -0.55 0.00 -2.02 0.00 0.00 63.50 61.59 3iut n PRO 44 Cb 0.61 -2.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.02 3iut n PRO 44 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iut n LEU 45 N 9.40 0.92 -3.96 2.45 7.94 -1.26 -4.74 117.00 127.74 3iut n LEU 45 Ca 0.27 0.97 -0.22 0.00 -1.11 0.00 0.00 56.01 55.93 3iut n LEU 45 Cb 0.39 -0.72 -0.16 0.00 0.53 0.00 0.00 43.42 43.45 3iut n LEU 45 CO 0.69 -0.75 -0.44 -0.89 -1.11 0.00 0.00 177.39 174.89 3iut s THR 46 N 2.27 0.79 0.04 1.96 2.01 -1.26 -5.09 115.64 116.36 3iut s THR 46 Ca 0.85 -0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.25 3iut s THR 46 Cb -1.21 -0.75 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 3iut s THR 46 CO 0.66 0.27 1.34 0.20 -0.69 0.00 0.00 174.62 176.40 3iut s ASN 47 N 0.66 6.91 0.36 3.53 0.01 -1.26 -4.80 114.94 120.34 3iut s ASN 47 Ca -0.11 2.14 0.09 0.00 -0.71 0.00 0.00 52.86 54.26 3iut s ASN 47 Cb -0.14 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 38.89 3iut s ASN 47 CO 0.02 -0.64 0.02 -0.76 -1.51 0.00 0.00 177.10 174.23 3iut s LEU 48 N 1.70 2.96 -0.53 0.60 1.43 -1.26 -1.00 118.68 122.58 3iut s LEU 48 Ca 0.62 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3iut s LEU 48 Cb -0.32 -1.27 0.13 0.00 0.03 0.00 0.00 46.19 44.76 3iut s LEU 48 CO 0.28 -0.29 0.48 0.00 0.23 0.00 0.00 176.35 177.05 3iut s ALA 49 N -2.56 3.63 0.38 4.21 0.00 -0.20 -4.06 121.76 123.16 3iut s ALA 49 Ca 0.35 -2.51 0.14 0.00 0.00 0.00 0.00 51.96 49.95 3iut s ALA 49 Cb 0.02 -3.23 0.98 0.00 0.00 0.00 0.00 23.12 20.89 3iut s ALA 49 CO 0.19 -1.99 1.82 0.93 0.00 0.00 0.00 175.76 176.71 3iut h GLU 50 N 8.86 0.50 0.00 0.00 3.07 -1.88 -2.12 114.58 123.01 3iut h GLU 50 Ca -0.29 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.50 3iut h GLU 50 Cb 1.10 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3iut h GLU 50 CO 1.02 0.33 -0.16 0.37 -1.40 0.00 0.00 179.01 179.17 3iut h GLN 51 N 0.52 0.00 -0.23 2.33 5.75 -1.85 -0.67 115.11 120.95 3iut h GLN 51 Ca 0.52 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 59.04 3iut h GLN 51 Cb 1.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3iut h GLN 51 CO -0.25 0.16 0.08 1.98 -2.65 0.00 0.00 178.83 178.15 3iut h MET 52 N 0.00 0.18 0.06 1.69 4.05 -1.65 -0.51 114.93 118.74 3iut h MET 52 Ca -0.00 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3iut h MET 52 Cb 0.34 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 3iut h MET 52 CO 0.02 0.12 -0.03 -0.07 0.23 0.00 0.00 176.91 177.18 3iut h LEU 53 N 0.18 -0.06 -0.50 3.39 3.38 -1.39 -0.19 115.31 120.12 3iut h LEU 53 Ca 0.10 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3iut h LEU 53 Cb 0.07 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3iut h LEU 53 CO -0.11 0.22 0.23 0.58 0.09 0.00 0.00 178.44 179.46 3iut h VAL 54 N -0.36 0.92 0.06 1.22 2.07 -1.00 -1.92 116.25 117.23 3iut h VAL 54 Ca -0.01 -0.15 -0.28 0.00 0.82 0.00 0.00 66.70 67.07 3iut h VAL 54 Cb 0.32 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3iut h VAL 54 CO 0.01 0.08 -1.50 0.28 0.02 0.00 0.00 177.57 176.46 3iut h SER 55 N 0.45 0.19 0.00 0.57 0.02 -1.18 -3.37 113.55 110.23 3iut h SER 55 Ca 0.23 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3iut h SER 55 Cb 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3iut h SER 55 CO -0.18 1.24 -1.38 0.00 -1.14 0.00 0.00 176.83 175.37 3iut s ASP 57 N -3.06 6.34 0.00 0.00 2.15 -0.73 -4.84 116.67 116.53 3iut s ASP 57 Ca -0.03 -1.13 0.18 0.00 0.43 0.00 0.00 52.55 52.01 3iut s ASP 57 Cb 0.06 -2.50 1.06 0.00 -0.30 0.00 0.00 42.92 41.24 3iut s ASP 57 CO 0.41 -1.52 1.69 0.29 -0.17 0.00 0.00 175.17 175.87 3iut n LYS 58 N 8.36 1.05 0.00 4.34 4.76 -1.26 -2.18 118.16 133.23 3iut n LYS 58 Ca 0.13 -0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.62 3iut n LYS 58 Cb 0.49 -1.29 0.34 0.00 -1.84 0.00 0.00 35.03 32.72 3iut n LYS 58 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3iut n THR 59 N -0.71 0.00 -4.23 -0.18 -2.24 -1.26 -4.88 114.28 100.78 3iut n THR 59 Ca 0.14 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 3iut n THR 59 Cb 0.08 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3iut n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iut n ASP 60 N -0.71 2.71 -1.21 3.42 8.00 -0.93 -4.93 116.55 122.90 3iut n ASP 60 Ca 0.11 -2.52 -0.03 0.00 0.71 0.00 0.00 54.79 53.06 3iut n ASP 60 Cb 0.35 0.14 0.13 0.00 -0.02 0.00 0.00 41.12 41.72 3iut n ASP 60 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3iut n SER 61 N -1.50 2.53 0.00 -2.24 7.64 0.11 -4.96 113.62 115.20 3iut n SER 61 Ca -0.10 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.22 3iut n SER 61 Cb 0.46 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3iut n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iut n GLY 62 N -0.81 3.68 0.00 0.23 0.00 -1.24 -0.72 105.19 106.33 3iut n GLY 62 Ca 0.24 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3iut n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iut n SER 64 N -0.93 3.75 0.00 0.00 7.64 0.11 -1.05 113.62 123.13 3iut n SER 64 Ca 0.18 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.06 3iut n SER 64 Cb 0.08 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3iut n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iut n GLY 65 N 1.56 1.16 0.00 0.23 0.00 -1.05 -4.88 105.19 102.21 3iut n GLY 65 Ca 0.22 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3iut n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iut n GLY 66 N -0.31 0.75 2.99 -0.02 0.00 -1.26 -0.71 105.19 106.62 3iut n GLY 66 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 3iut n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iut s LEU 67 N 0.00 1.63 0.30 0.99 1.43 -1.26 -4.84 118.68 116.92 3iut s LEU 67 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3iut s LEU 67 Cb 0.00 -0.63 0.51 0.00 0.03 0.00 0.00 46.19 46.10 3iut s LEU 67 CO 0.00 0.03 1.91 0.24 0.23 0.00 0.00 176.35 178.76 3iut h MET 68 N 6.76 1.02 -0.35 1.70 2.86 -1.98 -1.38 114.93 123.56 3iut h MET 68 Ca -0.34 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.15 3iut h MET 68 Cb 1.17 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3iut h MET 68 CO 0.48 0.68 -0.14 -0.91 1.06 0.00 0.00 176.91 178.07 3iut h ASN 69 N 1.05 0.62 -0.73 1.22 2.35 -1.96 -1.18 115.58 116.95 3iut h ASN 69 Ca 0.40 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3iut h ASN 69 Cb 0.19 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3iut h ASN 69 CO -0.15 0.78 0.25 0.78 -1.65 0.00 0.00 177.43 177.45 3iut h ASN 70 N 0.57 1.06 -0.42 5.81 4.21 -1.78 -2.18 115.58 122.85 3iut h ASN 70 Ca 0.10 -0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 3iut h ASN 70 Cb 0.58 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 3iut h ASN 70 CO 0.04 0.97 0.26 0.00 -1.29 0.00 0.00 177.43 177.41 3iut h ALA 71 N 1.17 0.54 -0.79 -0.83 0.00 -0.59 0.96 119.26 119.72 3iut h ALA 71 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3iut h ALA 71 Cb 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3iut h ALA 71 CO -0.01 0.02 0.41 0.74 0.00 0.00 0.00 179.25 180.40 3iut h PHE 72 N 0.56 1.10 -0.62 0.00 0.04 -1.14 -1.63 116.94 115.25 3iut h PHE 72 Ca 0.15 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 3iut h PHE 72 Cb -0.02 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.76 3iut h PHE 72 CO -0.04 0.78 0.14 0.93 -0.60 0.00 0.00 178.31 179.53 3iut h GLU 73 N 1.10 1.00 -0.44 1.51 4.39 -0.97 -2.86 114.58 118.32 3iut h GLU 73 Ca 0.27 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3iut h GLU 73 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3iut h GLU 73 CO -0.04 0.91 0.23 2.35 -1.16 0.00 0.00 179.01 181.30 3iut h TRP 74 N 0.92 0.61 -0.18 4.33 7.01 -0.46 0.14 115.95 128.32 3iut h TRP 74 Ca 0.19 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.23 3iut h TRP 74 Cb 0.37 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.18 3iut h TRP 74 CO 0.03 0.47 -0.19 0.82 -2.79 0.00 0.00 178.44 176.78 3iut h ILE 75 N 0.57 0.50 -0.05 2.65 2.04 -1.21 0.14 117.51 122.15 3iut h ILE 75 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3iut h ILE 75 Cb 0.07 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3iut h ILE 75 CO -0.02 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.64 3iut h VAL 76 N -0.22 1.39 0.00 1.67 2.07 -1.29 0.10 116.25 119.98 3iut h VAL 76 Ca 0.11 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 3iut h VAL 76 Cb 0.39 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3iut h VAL 76 CO -0.30 0.35 -0.94 1.56 0.02 0.00 0.00 177.57 178.26 3iut h GLN 77 N -0.33 0.00 0.00 1.57 4.20 -0.62 -3.29 115.11 116.64 3iut h GLN 77 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3iut h GLN 77 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3iut h GLN 77 CO 0.02 0.48 -1.08 0.39 -0.67 0.00 0.00 178.83 177.97 3iut n GLU 78 N -3.11 0.91 -0.24 1.46 -0.58 0.44 -4.75 120.64 114.77 3iut n GLU 78 Ca -0.03 -0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.78 3iut n GLU 78 Cb 0.81 -1.04 0.18 0.00 -0.57 0.00 0.00 31.44 30.82 3iut n GLU 78 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3iut n ASN 79 N -1.67 3.04 -2.17 1.62 5.15 -0.88 -4.98 115.26 115.36 3iut n ASN 79 Ca -0.01 -2.89 -0.20 0.00 -0.60 0.00 0.00 54.58 50.88 3iut n ASN 79 Cb 0.16 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 38.96 3iut n ASN 79 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3iut n ASN 80 N -0.82 -5.63 0.00 1.20 5.15 -1.09 -1.22 115.26 112.86 3iut n ASN 80 Ca 0.17 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 3iut n ASN 80 Cb 0.70 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 3iut n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iut n GLY 81 N -0.96 1.81 3.81 8.20 0.00 0.32 -4.95 105.19 113.41 3iut n GLY 81 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3iut n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iut s ALA 82 N -3.18 3.49 -0.13 4.61 0.00 -0.36 -1.09 121.76 125.10 3iut s ALA 82 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 3iut s ALA 82 Cb 0.00 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.39 3iut s ALA 82 CO 0.00 0.36 -0.11 0.08 0.00 0.00 0.00 175.76 176.09 3iut s VAL 83 N -1.34 1.29 0.58 0.00 1.01 -0.20 -4.90 120.40 116.84 3iut s VAL 83 Ca 0.37 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3iut s VAL 83 Cb -0.18 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3iut s VAL 83 CO 0.21 0.40 1.02 -0.31 0.00 0.00 0.00 175.10 176.43 3iut s TYR 84 N 1.60 3.30 0.52 5.22 2.02 -1.26 -0.55 117.35 128.20 3iut s TYR 84 Ca 0.05 1.45 -0.20 0.00 -0.37 0.00 0.00 57.07 57.99 3iut s TYR 84 Cb -0.13 -2.86 -0.06 0.00 -0.40 0.00 0.00 41.96 38.51 3iut s TYR 84 CO -0.09 -0.75 1.13 0.95 -1.57 0.00 0.00 175.55 175.22 3iut s THR 85 N -2.71 3.17 0.11 -0.71 -4.23 0.05 -1.03 115.64 110.29 3iut s THR 85 Ca 0.60 0.76 -0.21 0.00 -1.18 0.00 0.00 61.69 61.66 3iut s THR 85 Cb -0.12 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.29 3iut s THR 85 CO 0.39 -0.13 1.75 -0.08 -0.54 0.00 0.00 174.62 176.02 3iut h GLU 86 N 1.40 0.12 -0.25 3.99 4.81 -1.21 -1.57 114.58 121.87 3iut h GLU 86 Ca -0.50 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 3iut h GLU 86 Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3iut h GLU 86 CO 0.58 0.08 0.19 -0.44 -0.73 0.00 0.00 179.01 178.68 3iut h ASP 87 N 0.12 0.00 0.56 1.04 3.32 -1.93 -1.70 116.42 117.83 3iut h ASP 87 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3iut h ASP 87 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3iut h ASP 87 CO -0.04 0.00 -1.27 -1.54 -1.72 0.00 0.00 179.24 174.67 3iut n SER 88 N -4.40 0.55 -3.34 6.45 3.41 -1.13 -4.11 113.62 111.05 3iut n SER 88 Ca 0.03 0.08 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 3iut n SER 88 Cb 0.34 0.96 -0.08 0.00 -0.26 0.00 0.00 64.21 65.17 3iut n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iut n TYR 89 N -2.35 1.31 -1.64 7.33 -0.00 -0.61 -4.69 117.16 116.51 3iut n TYR 89 Ca -0.00 -3.81 -0.33 0.00 -0.00 0.00 0.00 57.90 53.76 3iut n TYR 89 Cb 0.52 -0.39 0.06 0.00 -0.00 0.00 0.00 39.34 39.53 3iut n TYR 89 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3iut s PRO 90 N -1.58 2.59 0.31 2.98 0.02 -0.70 -4.45 135.00 134.18 3iut s PRO 90 Ca 0.36 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3iut s PRO 90 Cb 0.14 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.63 3iut s PRO 90 CO -0.08 -1.42 1.53 -0.47 -0.33 0.00 0.00 177.00 176.22 3iut s TYR 91 N -2.32 2.76 0.00 6.54 5.04 -1.26 -4.75 117.35 123.36 3iut s TYR 91 Ca 0.68 0.96 0.17 0.00 -2.44 0.00 0.00 57.07 56.44 3iut s TYR 91 Cb -0.22 -4.00 0.28 0.00 0.35 0.00 0.00 41.96 38.37 3iut s TYR 91 CO 0.43 -3.21 1.10 0.00 -1.34 0.00 0.00 175.55 172.53 3iut n ALA 92 N 1.65 2.54 -0.62 3.97 0.00 -1.26 -4.86 120.51 121.93 3iut n ALA 92 Ca 0.06 -1.81 0.05 0.00 0.00 0.00 0.00 53.44 51.74 3iut n ALA 92 Cb 0.39 -0.61 0.07 0.00 0.00 0.00 0.00 19.45 19.29 3iut n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iut n SER 93 N 0.33 2.02 0.28 0.00 7.64 -1.26 -4.61 113.62 118.01 3iut n SER 93 Ca -0.01 -2.48 0.15 0.00 1.01 0.00 0.00 58.87 57.54 3iut n SER 93 Cb 0.99 -0.21 0.89 0.00 -1.01 0.00 0.00 64.21 64.87 3iut n SER 93 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3iut h GLY 94 N 0.00 0.00 1.18 0.23 0.00 -1.86 0.89 103.07 103.50 3iut h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iut h GLY 94 CO 0.00 0.00 -0.06 1.18 0.00 0.00 0.00 176.54 177.66 3iut n GLU 95 N -3.87 0.60 0.00 4.80 -0.58 -1.26 -0.75 120.64 119.57 3iut n GLU 95 Ca -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3iut n GLU 95 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3iut n GLU 95 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iut n GLY 96 N 1.27 0.30 3.40 0.62 0.00 0.31 -4.82 105.19 106.26 3iut n GLY 96 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3iut n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iut s ILE 97 N -2.00 4.01 -0.19 -0.61 -1.09 -1.26 -4.77 121.20 115.30 3iut s ILE 97 Ca 0.00 -0.27 -0.24 0.00 -2.23 0.00 0.00 60.65 57.91 3iut s ILE 97 Cb 0.00 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 3iut s ILE 97 CO 0.00 0.37 0.78 -0.55 -1.23 0.00 0.00 174.94 174.31 3iut s SER 98 N 1.56 6.87 1.17 3.58 0.15 -1.26 -4.41 113.70 121.35 3iut s SER 98 Ca 0.06 1.06 -0.16 0.00 0.70 0.00 0.00 55.95 57.62 3iut s SER 98 Cb -0.15 -2.42 0.23 0.00 -1.71 0.00 0.00 66.02 61.97 3iut s SER 98 CO 0.01 -0.38 0.90 -0.81 1.20 0.00 0.00 173.24 174.16 3iut n PRO 99 N 5.30 -2.45 -2.62 5.44 -0.04 -1.26 -4.99 135.00 134.38 3iut n PRO 99 Ca 0.03 -1.43 -0.33 0.00 -0.04 0.00 0.00 63.50 61.73 3iut n PRO 99 Cb 0.49 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 3iut n PRO 99 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3iut s PRO 100 N -5.03 4.04 0.27 0.54 0.04 -1.26 -4.64 135.00 128.96 3iut s PRO 100 Ca 0.57 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 3iut s PRO 100 Cb -0.05 -2.15 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 3iut s PRO 100 CO 0.43 -0.20 1.42 0.00 0.04 0.00 0.00 177.00 178.69 3iut s THR 102 N -0.27 3.56 0.03 0.00 -4.23 -1.26 -5.01 115.64 108.46 3iut s THR 102 Ca 0.65 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 3iut s THR 102 Cb -0.60 -2.67 -0.23 0.00 1.34 0.00 0.00 72.50 70.33 3iut s THR 102 CO 0.52 0.35 0.95 0.71 -0.54 0.00 0.00 174.62 176.61 3iut h THR 103 N 5.73 1.26 -3.46 3.99 1.35 -2.02 -3.48 112.91 116.28 3iut h THR 103 Ca -0.39 -3.00 -0.51 0.00 -0.55 0.00 0.00 66.41 61.96 3iut h THR 103 Cb 1.16 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 70.24 3iut h THR 103 CO 0.60 0.76 -0.02 -0.44 -0.25 0.00 0.00 175.52 176.17 3iut s SER 104 N -6.57 6.52 0.00 5.36 0.01 -1.26 -4.65 113.70 113.12 3iut s SER 104 Ca -0.04 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.16 3iut s SER 104 Cb 0.08 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.08 3iut s SER 104 CO 0.83 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.83 3iut n GLY 105 N -0.93 0.86 3.94 3.44 0.00 -1.26 -5.03 105.19 106.21 3iut n GLY 105 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3iut n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iut s HIS 106 N -3.39 2.91 -0.09 1.61 4.02 -1.26 -5.00 115.29 114.10 3iut s HIS 106 Ca 0.00 0.33 0.04 0.00 1.02 0.00 0.00 55.06 56.45 3iut s HIS 106 Cb 0.00 -3.07 -0.01 0.00 -1.02 0.00 0.00 32.58 28.48 3iut s HIS 106 CO 0.00 -1.26 -0.21 0.99 1.02 0.00 0.00 174.74 175.29 3iut s THR 107 N -3.11 2.39 -0.01 1.30 2.01 -1.26 -5.05 115.64 111.91 3iut s THR 107 Ca 0.59 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3iut s THR 107 Cb -0.11 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 3iut s THR 107 CO 0.43 0.56 1.35 -0.69 -0.69 0.00 0.00 174.62 175.58 3iut s VAL 108 N 0.05 3.84 -0.05 3.82 1.01 -1.26 -0.77 120.40 127.05 3iut s VAL 108 Ca -0.09 1.22 0.13 0.00 0.00 0.00 0.00 61.98 63.24 3iut s VAL 108 Cb -0.15 -3.78 -0.20 0.00 0.00 0.00 0.00 36.38 32.25 3iut s VAL 108 CO 0.05 0.00 0.22 0.61 0.00 0.00 0.00 175.10 175.99 3iut n GLY 109 N 3.56 -0.63 3.44 4.51 0.00 0.29 -4.76 105.19 111.60 3iut n GLY 109 Ca 0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3iut n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iut s ALA 110 N -2.76 -1.64 0.06 4.61 0.00 -1.01 -4.98 121.76 116.06 3iut s ALA 110 Ca -0.05 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.56 3iut s ALA 110 Cb 0.07 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3iut s ALA 110 CO 0.56 -0.73 -0.13 0.95 0.00 0.00 0.00 175.76 176.41 3iut s THR 111 N -3.50 0.97 0.16 0.00 -4.23 -1.26 -1.03 115.64 106.76 3iut s THR 111 Ca 0.01 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 3iut s THR 111 Cb -0.01 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 3iut s THR 111 CO -0.11 -0.25 -0.13 0.27 -0.54 0.00 0.00 174.62 173.86 3iut s ILE 112 N -1.27 1.47 -0.39 2.99 -4.36 -0.25 -4.80 121.20 114.58 3iut s ILE 112 Ca -0.04 -2.01 0.10 0.00 -0.26 0.00 0.00 60.65 58.45 3iut s ILE 112 Cb -0.10 -1.83 -0.12 0.00 1.25 0.00 0.00 42.46 41.66 3iut s ILE 112 CO 0.02 -0.57 0.39 0.35 0.24 0.00 0.00 174.94 175.37 3iut n THR 113 N -0.02 0.00 -3.28 8.37 -2.24 -0.38 -4.51 114.28 112.23 3iut n THR 113 Ca -0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3iut n THR 113 Cb 0.59 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3iut n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iut n GLY 114 N 1.37 -0.88 3.40 3.38 0.00 -1.23 -5.00 105.19 106.23 3iut n GLY 114 Ca 0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3iut n GLY 114 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3iut s HIS 115 N -3.00 0.21 0.04 1.61 -0.00 -1.26 -0.92 115.29 111.96 3iut s HIS 115 Ca 0.00 -0.57 0.07 0.00 -0.00 0.00 0.00 55.06 54.56 3iut s HIS 115 Cb 0.00 0.10 -0.02 0.00 -0.00 0.00 0.00 32.58 32.66 3iut s HIS 115 CO 0.00 -0.79 -0.20 0.14 -0.00 0.00 0.00 174.74 173.90 3iut s VAL 116 N -3.93 1.57 -0.26 -5.38 -7.23 0.33 -4.88 120.40 100.62 3iut s VAL 116 Ca 0.14 -1.12 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 3iut s VAL 116 Cb 0.02 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.59 3iut s VAL 116 CO -0.01 0.20 0.02 -1.61 -0.31 0.00 0.00 175.10 173.39 3iut s GLU 117 N -1.08 3.28 0.48 4.82 2.02 -1.26 -1.38 118.70 125.58 3iut s GLU 117 Ca 0.07 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 3iut s GLU 117 Cb -0.08 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3iut s GLU 117 CO 0.01 -0.30 0.79 -0.51 0.02 0.00 0.00 175.26 175.27 3iut s LEU 118 N 1.50 3.64 0.81 1.80 1.43 0.10 -4.99 118.68 122.96 3iut s LEU 118 Ca 0.04 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 53.97 3iut s LEU 118 Cb -0.16 -3.91 0.08 0.00 0.03 0.00 0.00 46.19 42.23 3iut s LEU 118 CO 0.00 -0.57 1.15 -2.65 0.23 0.00 0.00 176.35 174.52 3iut n PRO 119 N -2.18 0.15 -2.27 1.29 -0.02 -1.26 -4.60 135.00 126.10 3iut n PRO 119 Ca 0.01 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 3iut n PRO 119 Cb 0.55 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3iut n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3iut n GLN 120 N -3.18 3.81 -3.60 -0.52 6.02 -1.26 -4.65 117.38 113.99 3iut n GLN 120 Ca 0.13 -3.52 -0.01 0.00 -0.01 0.00 0.00 57.00 53.60 3iut n GLN 120 Cb 0.50 -2.86 -0.04 0.00 1.02 0.00 0.00 30.24 28.86 3iut n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3iut s ASP 121 N 0.72 -1.15 0.22 1.08 -1.08 -1.26 -4.93 116.67 110.27 3iut s ASP 121 Ca 0.42 1.50 -0.08 0.00 -0.52 0.00 0.00 52.55 53.87 3iut s ASP 121 Cb 0.11 2.28 0.17 0.00 -1.46 0.00 0.00 42.92 44.01 3iut s ASP 121 CO -0.01 -0.22 1.80 -0.33 0.52 0.00 0.00 175.17 176.93 3iut h GLU 122 N 7.98 1.19 -0.70 4.34 5.08 -1.91 -0.91 114.58 129.65 3iut h GLU 122 Ca -0.18 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3iut h GLU 122 Cb 1.11 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3iut h GLU 122 CO 0.11 0.93 0.24 0.00 -1.00 0.00 0.00 179.01 179.29 3iut h ALA 123 N 1.20 0.92 -0.58 3.43 0.00 -1.97 -0.73 119.26 121.52 3iut h ALA 123 Ca 0.28 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3iut h ALA 123 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3iut h ALA 123 CO -0.03 0.57 -0.04 1.96 0.00 0.00 0.00 179.25 181.72 3iut h GLN 124 N 1.02 1.05 -0.38 0.00 4.20 -1.82 -1.44 115.11 117.73 3iut h GLN 124 Ca 0.23 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3iut h GLN 124 Cb 0.27 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3iut h GLN 124 CO -0.01 1.05 0.14 0.82 -0.67 0.00 0.00 178.83 180.15 3iut h ILE 125 N 0.94 1.20 -0.60 2.54 2.04 -1.00 -2.18 117.51 120.45 3iut h ILE 125 Ca 0.16 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.38 3iut h ILE 125 Cb 0.60 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3iut h ILE 125 CO 0.04 0.23 0.40 0.00 0.00 0.00 0.00 178.15 178.81 3iut h ALA 126 N 0.98 0.77 -0.76 1.87 0.00 -1.01 -0.64 119.26 120.47 3iut h ALA 126 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3iut h ALA 126 Cb 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3iut h ALA 126 CO -0.01 0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.81 3iut h ALA 127 N 1.23 1.26 -0.20 0.00 0.00 -1.14 -0.05 119.26 120.35 3iut h ALA 127 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iut h ALA 127 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3iut h ALA 127 CO -0.06 0.59 -0.10 2.35 0.00 0.00 0.00 179.25 182.03 3iut h TRP 128 N 1.06 0.48 -0.56 0.00 7.01 -0.99 -3.12 115.95 119.83 3iut h TRP 128 Ca 0.26 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3iut h TRP 128 Cb 0.07 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 3iut h TRP 128 CO 0.01 0.71 0.33 1.25 -2.79 0.00 0.00 178.44 177.95 3iut h LEU 129 N 0.11 0.67 -1.44 0.65 6.46 -0.91 0.13 115.31 120.99 3iut h LEU 129 Ca 0.04 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3iut h LEU 129 Cb 0.59 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 3iut h LEU 129 CO 0.03 0.53 0.21 0.00 -0.62 0.00 0.00 178.44 178.59 3iut h ALA 130 N 1.59 1.57 0.03 1.25 0.00 -0.94 -1.22 119.26 121.54 3iut h ALA 130 Ca 0.20 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 3iut h ALA 130 Cb -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3iut h ALA 130 CO -0.04 0.35 -2.11 0.28 0.00 0.00 0.00 179.25 177.73 3iut n VAL 131 N -4.41 1.58 1.00 0.00 0.31 -1.01 -4.74 118.33 111.07 3iut n VAL 131 Ca 0.03 -0.41 0.10 0.00 -0.01 0.00 0.00 64.34 64.05 3iut n VAL 131 Cb 0.11 -1.76 -0.08 0.00 -0.91 0.00 0.00 33.84 31.20 3iut n VAL 131 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3iut n ASN 132 N -3.86 1.07 0.00 4.52 3.02 0.43 -5.09 115.26 115.34 3iut n ASN 132 Ca -0.42 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3iut n ASN 132 Cb 0.90 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 3iut n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iut n GLY 133 N 1.49 -2.54 3.60 7.41 0.00 -0.47 -4.92 105.19 109.77 3iut n GLY 133 Ca 0.05 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3iut n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iut n PRO 134 N -0.09 0.98 -4.65 1.61 -0.02 -1.26 -4.32 135.00 127.24 3iut n PRO 134 Ca 0.00 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.60 3iut n PRO 134 Cb 0.00 -2.11 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 3iut n PRO 134 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iut s VAL 135 N -1.48 1.22 0.15 -1.45 1.01 -0.77 -4.87 120.40 114.20 3iut s VAL 135 Ca 0.72 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3iut s VAL 135 Cb -0.44 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 3iut s VAL 135 CO 0.50 0.37 1.14 0.00 0.00 0.00 0.00 175.10 177.10 3iut s ALA 136 N 0.52 3.38 0.02 5.51 0.00 -0.18 -0.58 121.76 130.44 3iut s ALA 136 Ca -0.13 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3iut s ALA 136 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3iut s ALA 136 CO 0.04 -0.29 -0.05 0.14 0.00 0.00 0.00 175.76 175.60 3iut s VAL 137 N 0.08 0.36 0.20 0.00 -7.23 -0.64 -0.73 120.40 112.43 3iut s VAL 137 Ca 0.52 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.84 3iut s VAL 137 Cb -0.30 -0.40 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 3iut s VAL 137 CO 0.34 -0.24 0.59 0.00 -0.31 0.00 0.00 175.10 175.48 3iut s ALA 138 N -0.93 3.52 0.14 1.32 0.00 -1.06 -1.04 121.76 123.72 3iut s ALA 138 Ca -0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3iut s ALA 138 Cb -0.07 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3iut s ALA 138 CO -0.00 0.44 0.17 0.14 0.00 0.00 0.00 175.76 176.51 3iut s VAL 139 N -1.62 0.10 -0.51 0.00 -7.23 0.25 -4.39 120.40 106.99 3iut s VAL 139 Ca 0.43 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 3iut s VAL 139 Cb -0.14 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 34.99 3iut s VAL 139 CO 0.20 -0.43 0.83 -0.62 -0.31 0.00 0.00 175.10 174.76 3iut s ASP 140 N -2.98 6.35 -0.17 4.85 3.68 0.13 -1.03 116.67 127.49 3iut s ASP 140 Ca 0.18 -0.35 0.16 0.00 2.13 0.00 0.00 52.55 54.66 3iut s ASP 140 Cb 0.05 -2.39 0.66 0.00 -1.45 0.00 0.00 42.92 39.79 3iut s ASP 140 CO -0.01 -1.06 1.58 0.00 0.13 0.00 0.00 175.17 175.81 3iut n ALA 141 N 6.98 3.28 0.25 3.66 0.00 -1.26 -4.67 120.51 128.76 3iut n ALA 141 Ca 0.01 -1.93 0.11 0.00 0.00 0.00 0.00 53.44 51.63 3iut n ALA 141 Cb 0.47 -0.91 0.68 0.00 0.00 0.00 0.00 19.45 19.69 3iut n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iut h SER 142 N 3.13 0.00 -0.62 0.00 4.64 -1.90 -1.43 113.55 117.38 3iut h SER 142 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iut h SER 142 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3iut h SER 142 CO 0.31 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 3iut n SER 143 N -3.80 3.87 0.00 4.97 3.41 -1.26 -4.51 113.62 116.30 3iut n SER 143 Ca -0.02 -2.19 0.11 0.00 -0.26 0.00 0.00 58.87 56.52 3iut n SER 143 Cb 0.24 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3iut n SER 143 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3iut n TRP 144 N 1.21 0.03 -0.11 7.33 7.02 -0.54 -4.42 117.44 127.97 3iut n TRP 144 Ca 0.22 0.01 0.04 0.00 -1.02 0.00 0.00 57.50 56.75 3iut n TRP 144 Cb 0.67 -0.19 0.36 0.00 -2.42 0.00 0.00 31.31 29.74 3iut n TRP 144 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 3iut h MET 145 N 0.00 0.70 -0.27 -0.99 2.86 -1.79 -2.29 114.93 113.15 3iut h MET 145 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3iut h MET 145 Cb 0.52 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3iut h MET 145 CO 0.00 0.46 0.00 0.25 1.06 0.00 0.00 176.91 178.68 3iut n THR 146 N -4.46 0.35 -2.18 2.22 -2.24 -1.26 -4.94 114.28 101.77 3iut n THR 146 Ca 0.07 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 3iut n THR 146 Cb 0.11 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 3iut n THR 146 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3iut s TYR 147 N -1.65 3.25 -0.03 4.78 6.14 -0.86 -4.91 117.35 124.06 3iut s TYR 147 Ca 0.35 0.99 0.04 0.00 0.64 0.00 0.00 57.07 59.09 3iut s TYR 147 Cb 0.21 -3.67 -0.05 0.00 0.42 0.00 0.00 41.96 38.86 3iut s TYR 147 CO 0.29 -2.31 0.03 0.25 0.64 0.00 0.00 175.55 174.46 3iut n THR 148 N 3.81 0.20 0.00 4.34 -2.24 -1.26 -3.71 114.28 115.42 3iut n THR 148 Ca 0.11 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3iut n THR 148 Cb 0.42 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3iut n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iut n GLY 149 N 2.62 1.84 0.78 3.38 0.00 -1.26 -3.80 105.19 108.75 3iut n GLY 149 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3iut n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iut n GLY 150 N -0.59 -2.92 3.52 -0.02 0.00 -1.26 -4.88 105.19 99.03 3iut n GLY 150 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3iut n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iut s VAL 151 N -0.54 4.98 0.08 1.61 1.01 -1.26 -4.04 120.40 122.24 3iut s VAL 151 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3iut s VAL 151 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3iut s VAL 151 CO 0.00 -0.41 1.50 -0.32 0.00 0.00 0.00 175.10 175.87 3iut s MET 152 N 2.45 4.26 -0.00 2.72 0.00 -0.29 -4.76 119.30 123.69 3iut s MET 152 Ca 0.18 2.16 0.09 0.00 0.00 0.00 0.00 55.69 58.12 3iut s MET 152 Cb -0.15 -3.43 -0.10 0.00 0.00 0.00 0.00 34.83 31.15 3iut s MET 152 CO 0.15 -0.59 0.36 0.25 0.00 0.00 0.00 175.02 175.20 3iut n THR 153 N 4.38 0.00 -0.58 10.11 -2.24 -1.26 -0.95 114.28 123.73 3iut n THR 153 Ca 0.14 -0.28 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3iut n THR 153 Cb 0.42 0.94 0.17 0.00 -2.10 0.00 0.00 70.33 69.75 3iut n THR 153 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3iut n SER 154 N -1.27 3.10 -4.67 3.42 3.41 -1.26 -5.02 113.62 111.33 3iut n SER 154 Ca 0.01 -2.53 -0.45 0.00 -0.26 0.00 0.00 58.87 55.65 3iut n SER 154 Cb 0.15 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3iut n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iut s VAL 156 N 0.50 3.93 -0.55 0.00 1.01 -1.26 -4.48 120.40 119.54 3iut s VAL 156 Ca 0.74 1.21 0.07 0.00 0.00 0.00 0.00 61.98 64.00 3iut s VAL 156 Cb -0.66 -3.78 0.24 0.00 0.00 0.00 0.00 36.38 32.19 3iut s VAL 156 CO 0.43 -0.06 0.65 -1.20 0.00 0.00 0.00 175.10 174.92 3iut n SER 157 N 6.10 2.40 0.00 3.32 7.64 -1.26 -4.53 113.62 127.29 3iut n SER 157 Ca 0.14 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.87 3iut n SER 157 Cb 0.44 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3iut n SER 157 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3iut n GLU 158 N 1.13 0.61 -3.70 1.43 -0.58 -1.26 -4.80 120.64 113.48 3iut n GLU 158 Ca 0.26 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.87 3iut n GLU 158 Cb 0.45 -0.79 -0.13 0.00 -0.57 0.00 0.00 31.44 30.40 3iut n GLU 158 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3iut s GLN 159 N -1.58 0.17 0.13 3.49 0.74 -1.26 -5.11 119.66 116.23 3iut s GLN 159 Ca 0.00 0.62 -0.31 0.00 0.05 0.00 0.00 55.36 55.72 3iut s GLN 159 Cb 0.00 -0.10 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 3iut s GLN 159 CO 0.00 -0.22 1.60 -0.51 -0.55 0.00 0.00 175.29 175.61 3iut s LEU 160 N 1.80 4.37 0.00 3.68 1.43 -1.26 -4.03 118.68 124.68 3iut s LEU 160 Ca -0.04 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 3iut s LEU 160 Cb -0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3iut s LEU 160 CO -0.08 -0.85 0.24 -0.90 0.23 0.00 0.00 176.35 174.99 3iut n ASP 161 N 4.62 0.00 -3.59 2.29 3.85 -0.20 -4.92 116.55 118.60 3iut n ASP 161 Ca 0.15 -1.00 -0.16 0.00 -0.71 0.00 0.00 54.79 53.06 3iut n ASP 161 Cb 0.39 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.10 3iut n ASP 161 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3iut s HIS 162 N 0.00 -0.50 -0.09 2.11 5.04 -0.77 -4.89 115.29 116.20 3iut s HIS 162 Ca 0.00 0.80 0.04 0.00 -1.54 0.00 0.00 55.06 54.36 3iut s HIS 162 Cb 0.00 0.32 -0.00 0.00 0.04 0.00 0.00 32.58 32.93 3iut s HIS 162 CO 0.00 -0.55 -0.23 0.20 -2.34 0.00 0.00 174.74 171.81 3iut s GLY 163 N -1.34 1.28 0.03 1.59 0.00 -1.26 -0.59 107.32 107.04 3iut s GLY 163 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3iut s GLY 163 CO 0.07 -0.36 0.03 3.33 0.00 0.00 0.00 173.10 176.17 3iut n VAL 164 N 3.43 0.00 -3.83 1.40 0.24 -0.21 -4.44 118.33 114.93 3iut n VAL 164 Ca -0.19 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.34 61.67 3iut n VAL 164 Cb 0.53 0.10 -0.17 0.00 -1.47 0.00 0.00 33.84 32.83 3iut n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3iut s LEU 165 N 0.00 0.89 -0.13 1.34 2.96 -1.08 -1.62 118.68 121.04 3iut s LEU 165 Ca 0.03 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 3iut s LEU 165 Cb 0.00 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 3iut s LEU 165 CO 0.02 -0.16 1.14 -0.76 -1.32 0.00 0.00 176.35 175.27 3iut s LEU 166 N 1.85 4.21 0.00 -0.68 1.43 0.26 -0.79 118.68 124.96 3iut s LEU 166 Ca 0.05 1.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.87 3iut s LEU 166 Cb -0.13 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 3iut s LEU 166 CO -0.07 -0.61 0.42 1.33 0.23 0.00 0.00 176.35 177.65 3iut n VAL 167 N 4.92 0.00 -0.89 -1.59 0.24 0.02 -1.84 118.33 119.19 3iut n VAL 167 Ca 0.11 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3iut n VAL 167 Cb 0.46 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3iut n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iut n GLY 168 N 1.13 -1.18 3.57 7.63 0.00 -1.19 -1.51 105.19 113.64 3iut n GLY 168 Ca 0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3iut n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iut s TYR 169 N -2.29 -0.25 -0.25 1.61 -0.85 -0.15 -1.15 117.35 114.02 3iut s TYR 169 Ca 0.00 -0.09 -0.03 0.00 -0.52 0.00 0.00 57.07 56.43 3iut s TYR 169 Cb 0.00 0.51 0.11 0.00 0.38 0.00 0.00 41.96 42.95 3iut s TYR 169 CO 0.00 -0.97 0.21 1.21 -1.52 0.00 0.00 175.55 174.48 3iut s ASN 170 N -2.85 2.19 0.12 -0.18 3.84 0.07 -1.09 114.94 117.04 3iut s ASN 170 Ca 0.07 -0.74 0.27 0.00 0.21 0.00 0.00 52.86 52.67 3iut s ASN 170 Cb -0.02 0.15 0.84 0.00 -0.55 0.00 0.00 41.25 41.67 3iut s ASN 170 CO -0.03 -0.38 1.72 0.47 -2.79 0.00 0.00 177.10 176.09 3iut n ASP 171 N 5.29 0.53 -0.34 -4.21 10.43 0.65 -1.96 116.55 126.94 3iut n ASP 171 Ca -0.05 0.42 0.12 0.00 2.57 0.00 0.00 54.79 57.85 3iut n ASP 171 Cb 0.46 -0.48 0.28 0.00 1.84 0.00 0.00 41.12 43.23 3iut n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iut n GLY 172 N 1.39 -0.37 3.82 0.44 0.00 -1.25 -4.72 105.19 104.50 3iut n GLY 172 Ca 0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3iut n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iut s ALA 173 N -2.45 2.43 0.27 4.61 0.00 -1.25 -4.95 121.76 120.42 3iut s ALA 173 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 3iut s ALA 173 Cb 0.19 -3.10 0.35 0.00 0.00 0.00 0.00 23.12 20.56 3iut s ALA 173 CO 0.52 -1.54 1.94 0.00 0.00 0.00 0.00 175.76 176.67 3iut h ALA 174 N -0.95 1.35 -3.77 0.00 0.00 -1.93 -3.26 119.26 110.70 3iut h ALA 174 Ca -0.46 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.72 3iut h ALA 174 Cb 1.26 -0.37 -0.37 0.00 0.00 0.00 0.00 17.79 18.31 3iut h ALA 174 CO 0.60 0.59 -0.77 0.08 0.00 0.00 0.00 179.25 179.75 3iut s VAL 175 N -6.04 2.31 0.48 0.00 1.01 -1.26 -5.11 120.40 111.79 3iut s VAL 175 Ca -0.12 -1.78 -0.23 0.00 0.00 0.00 0.00 61.98 59.85 3iut s VAL 175 Cb 0.18 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 3iut s VAL 175 CO 0.81 -0.18 1.18 -2.65 0.00 0.00 0.00 175.10 174.26 3iut n PRO 176 N 4.41 1.57 -3.90 2.72 -0.02 -1.23 -4.89 135.00 133.67 3iut n PRO 176 Ca -0.10 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3iut n PRO 176 Cb 0.42 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 3iut n PRO 176 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3iut s TYR 177 N -1.29 0.18 0.22 6.00 -0.85 -0.83 -0.82 117.35 119.96 3iut s TYR 177 Ca 0.66 -0.54 -0.08 0.00 -0.52 0.00 0.00 57.07 56.60 3iut s TYR 177 Cb -0.48 -0.11 -0.06 0.00 0.38 0.00 0.00 41.96 41.69 3iut s TYR 177 CO 0.54 -0.45 0.51 -1.58 -1.52 0.00 0.00 175.55 173.05 3iut s TRP 178 N -3.24 3.45 -0.23 -3.49 0.52 0.04 -0.75 118.94 115.24 3iut s TRP 178 Ca 0.00 0.76 -0.05 0.00 0.02 0.00 0.00 56.10 56.83 3iut s TRP 178 Cb 0.02 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 3iut s TRP 178 CO -0.08 0.28 -0.01 0.42 0.02 0.00 0.00 176.95 177.58 3iut s ILE 179 N -1.84 3.62 -0.12 2.03 1.01 -0.30 -2.51 121.20 123.08 3iut s ILE 179 Ca 0.45 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3iut s ILE 179 Cb -0.11 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3iut s ILE 179 CO 0.24 0.40 -0.18 -0.63 0.00 0.00 0.00 174.94 174.77 3iut s ILE 180 N 1.51 1.70 -0.10 2.92 1.01 -0.22 -0.80 121.20 127.22 3iut s ILE 180 Ca 0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.69 3iut s ILE 180 Cb -0.14 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3iut s ILE 180 CO -0.01 0.48 0.84 -0.75 0.00 0.00 0.00 174.94 175.50 3iut s LYS 181 N 0.94 4.40 0.57 2.79 2.20 0.03 -1.18 119.74 129.48 3iut s LYS 181 Ca -0.06 1.10 0.08 0.00 -0.36 0.00 0.00 55.97 56.72 3iut s LYS 181 Cb -0.15 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 3iut s LYS 181 CO -0.02 -0.17 0.65 1.21 -0.36 0.00 0.00 175.35 176.67 3iut s ASN 182 N 1.02 4.92 -0.27 1.43 3.84 -0.80 -2.62 114.94 122.47 3iut s ASN 182 Ca 0.42 -1.00 0.12 0.00 0.21 0.00 0.00 52.86 52.61 3iut s ASN 182 Cb -0.18 0.36 0.47 0.00 -0.55 0.00 0.00 41.25 41.35 3iut s ASN 182 CO 0.17 -1.26 1.17 -1.54 -2.79 0.00 0.00 177.10 172.85 3iut n SER 183 N -2.07 3.71 -0.89 -4.21 3.41 -1.26 -4.45 113.62 107.86 3iut n SER 183 Ca 0.09 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 3iut n SER 183 Cb 0.63 -0.39 0.19 0.00 -0.26 0.00 0.00 64.21 64.37 3iut n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3iut n TRP 184 N -0.67 0.56 -0.22 7.33 8.01 -1.19 -1.29 117.44 129.96 3iut n TRP 184 Ca 0.31 -1.62 0.03 0.00 -1.31 0.00 0.00 57.50 54.92 3iut n TRP 184 Cb 0.91 -0.33 -0.01 0.00 -2.01 0.00 0.00 31.31 29.87 3iut n TRP 184 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3iut n THR 185 N -1.08 -0.03 1.28 -0.99 -2.24 -0.72 -4.16 114.28 106.33 3iut n THR 185 Ca 0.25 0.09 0.14 0.00 -2.27 0.00 0.00 64.05 62.26 3iut n THR 185 Cb 0.80 -0.16 0.69 0.00 -2.10 0.00 0.00 70.33 69.56 3iut n THR 185 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3iut n THR 186 N -2.67 0.09 0.22 4.28 -2.24 -1.26 -3.13 114.28 109.57 3iut n THR 186 Ca -0.01 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 3iut n THR 186 Cb 0.10 -0.56 0.40 0.00 -2.10 0.00 0.00 70.33 68.17 3iut n THR 186 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3iut h GLN 187 N 0.00 0.00 -6.10 -0.78 4.20 -1.90 -3.17 115.11 107.35 3iut h GLN 187 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 3iut h GLN 187 Cb 0.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3iut h GLN 187 CO 0.00 0.16 -0.09 -0.46 -0.67 0.00 0.00 178.83 177.77 3iut s TRP 188 N -3.47 3.74 0.00 2.96 -0.00 -1.18 -4.90 118.94 116.09 3iut s TRP 188 Ca 0.02 1.15 0.00 0.00 -0.00 0.00 0.00 56.10 57.27 3iut s TRP 188 Cb 0.08 -2.45 0.00 0.00 -0.00 0.00 0.00 33.47 31.10 3iut s TRP 188 CO 0.64 0.54 0.00 0.41 -0.00 0.00 0.00 176.95 178.54 3iut n GLY 189 N 1.97 1.20 3.41 5.86 0.00 -1.24 -0.33 105.19 116.06 3iut n GLY 189 Ca -0.11 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 3iut n GLY 189 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iut n GLU 190 N 6.24 3.44 -4.08 1.61 1.02 0.16 -4.39 120.64 124.63 3iut n GLU 190 Ca 0.00 -4.03 -0.32 0.00 -0.02 0.00 0.00 57.16 52.79 3iut n GLU 190 Cb 0.00 -2.89 -0.02 0.00 -0.02 0.00 0.00 31.44 28.52 3iut n GLU 190 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3iut n GLU 191 N 4.66 -3.60 -0.13 3.49 -0.58 -1.25 -1.78 120.64 121.44 3iut n GLU 191 Ca 0.33 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 3iut n GLU 191 Cb 0.41 -4.97 0.00 0.00 -0.57 0.00 0.00 31.44 26.31 3iut n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iut n GLY 192 N -1.64 0.60 3.78 0.62 0.00 0.55 -4.62 105.19 104.49 3iut n GLY 192 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3iut n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iut s TYR 193 N -2.34 3.02 0.03 1.61 2.02 -0.74 -1.90 117.35 119.06 3iut s TYR 193 Ca 0.00 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.61 3iut s TYR 193 Cb 0.00 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3iut s TYR 193 CO 0.00 0.54 -0.11 -1.50 -1.57 0.00 0.00 175.55 172.91 3iut s ILE 194 N -2.14 0.87 -0.15 2.71 2.07 -0.33 -0.67 121.20 123.56 3iut s ILE 194 Ca 0.32 -0.90 -0.03 0.00 -1.41 0.00 0.00 60.65 58.63 3iut s ILE 194 Cb -0.08 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 3iut s ILE 194 CO 0.24 -0.07 -0.03 -0.13 -1.91 0.00 0.00 174.94 173.03 3iut s ARG 195 N -1.09 3.59 0.08 3.50 0.52 -1.26 -1.06 118.95 123.24 3iut s ARG 195 Ca -0.01 -0.51 0.10 0.00 -0.52 0.00 0.00 55.73 54.79 3iut s ARG 195 Cb -0.07 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 3iut s ARG 195 CO 0.01 0.30 -0.26 0.96 0.02 0.00 0.00 175.30 176.33 3iut s ILE 196 N 0.20 2.10 0.42 1.52 -4.36 -1.05 -1.14 121.20 118.91 3iut s ILE 196 Ca -0.02 -1.52 -0.25 0.00 -0.26 0.00 0.00 60.65 58.60 3iut s ILE 196 Cb -0.14 -1.83 -0.10 0.00 1.25 0.00 0.00 42.46 41.64 3iut s ILE 196 CO 0.03 0.22 1.27 0.00 0.24 0.00 0.00 174.94 176.70 3iut n ALA 197 N 1.41 1.31 -2.73 2.27 0.00 -0.13 -0.78 120.51 121.87 3iut n ALA 197 Ca -0.18 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3iut n ALA 197 Cb 0.53 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 3iut n ALA 197 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iut s LYS 198 N -2.22 3.13 0.00 0.00 2.20 -0.00 -4.47 119.74 118.38 3iut s LYS 198 Ca 0.61 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 3iut s LYS 198 Cb -0.51 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3iut s LYS 198 CO 0.58 0.55 0.00 0.41 -0.36 0.00 0.00 175.35 176.53 3iut n GLY 199 N 2.58 0.77 0.53 5.54 0.00 -1.26 -4.78 105.19 108.57 3iut n GLY 199 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 3iut n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iut n SER 200 N 0.00 1.03 -3.94 1.61 3.41 -1.26 -5.00 113.62 109.47 3iut n SER 200 Ca 0.00 -2.52 -0.31 0.00 -0.26 0.00 0.00 58.87 55.78 3iut n SER 200 Cb 0.00 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 3iut n SER 200 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3iut n ASN 201 N -0.47 -4.72 -4.66 4.04 5.15 -1.26 -4.90 115.26 108.44 3iut n ASN 201 Ca 0.08 -0.80 -0.46 0.00 -0.60 0.00 0.00 54.58 52.80 3iut n ASN 201 Cb 0.75 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 36.16 3iut n ASN 201 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iut n GLN 202 N -4.67 2.04 -1.37 1.20 1.13 -1.26 -1.61 117.38 112.84 3iut n GLN 202 Ca 0.05 0.74 -0.13 0.00 -1.94 0.00 0.00 57.00 55.72 3iut n GLN 202 Cb 0.52 -2.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.34 3iut n GLN 202 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iut n LEU 204 N -1.44 -1.89 0.25 0.00 4.77 -0.64 -0.69 117.00 117.36 3iut n LEU 204 Ca -0.13 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.04 3iut n LEU 204 Cb 0.51 -2.89 0.82 0.00 -2.33 0.00 0.00 43.42 39.52 3iut n LEU 204 CO 0.19 -0.31 1.12 1.62 -1.33 0.00 0.00 177.39 178.68 3iut h VAL 205 N 0.00 0.64 -0.00 4.08 3.04 -1.58 -1.91 116.25 120.52 3iut h VAL 205 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3iut h VAL 205 Cb 1.36 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3iut h VAL 205 CO 0.58 0.00 -0.05 2.29 -1.01 0.00 0.00 177.57 179.38 3iut n LYS 206 N -4.03 0.25 0.08 4.17 2.85 -1.26 -4.47 118.16 115.74 3iut n LYS 206 Ca -0.01 -0.03 -0.07 0.00 -1.05 0.00 0.00 58.31 57.15 3iut n LYS 206 Cb 0.17 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.99 3iut n LYS 206 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3iut h GLU 207 N 0.07 0.06 -1.28 -1.58 4.39 -1.63 -3.37 114.58 111.23 3iut h GLU 207 Ca 0.00 -0.08 -0.42 0.00 0.34 0.00 0.00 59.36 59.20 3iut h GLU 207 Cb 0.40 0.03 -0.30 0.00 -0.10 0.00 0.00 28.75 28.77 3iut h GLU 207 CO 0.00 0.95 -0.90 -1.91 -1.16 0.00 0.00 179.01 175.99 3iut n GLU 208 N -3.49 0.82 -3.66 2.33 2.13 -1.26 -4.90 120.64 112.62 3iut n GLU 208 Ca -0.02 -2.74 -0.37 0.00 0.66 0.00 0.00 57.16 54.69 3iut n GLU 208 Cb 0.88 -1.36 -0.06 0.00 0.27 0.00 0.00 31.44 31.17 3iut n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iut s ALA 209 N -0.81 3.75 0.22 4.31 0.00 -1.26 -2.57 121.76 125.40 3iut s ALA 209 Ca 0.34 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 3iut s ALA 209 Cb 0.24 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 21.14 3iut s ALA 209 CO -0.13 0.47 0.51 -1.54 0.00 0.00 0.00 175.76 175.06 3iut s SER 210 N -0.78 -0.17 -0.07 0.00 1.04 0.09 -0.73 113.70 113.09 3iut s SER 210 Ca 0.19 -0.69 -0.18 0.00 0.48 0.00 0.00 55.95 55.76 3iut s SER 210 Cb -0.14 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3iut s SER 210 CO 0.08 -1.10 0.41 -0.55 0.98 0.00 0.00 173.24 173.06 3iut s SER 211 N -2.94 -0.35 0.75 7.02 0.15 -0.48 -1.01 113.70 116.85 3iut s SER 211 Ca 0.15 0.45 -0.15 0.00 0.70 0.00 0.00 55.95 57.10 3iut s SER 211 Cb -0.01 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 3iut s SER 211 CO 0.03 -0.38 1.23 0.00 1.20 0.00 0.00 173.24 175.32 3iut s ALA 212 N -0.79 2.02 -0.19 5.45 0.00 -1.26 -0.51 121.76 126.48 3iut s ALA 212 Ca -0.09 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 3iut s ALA 212 Cb -0.04 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3iut s ALA 212 CO 0.04 -2.06 -0.08 0.08 0.00 0.00 0.00 175.76 173.75 3iut s VAL 213 N -1.93 3.26 -0.15 0.00 1.01 -0.10 -4.80 120.40 117.70 3iut s VAL 213 Ca 0.76 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3iut s VAL 213 Cb -0.31 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3iut s VAL 213 CO 0.47 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 175.26 3iut s VAL 214 N 1.03 3.42 -1.07 2.92 1.01 -1.26 -1.24 120.40 125.21 3iut s VAL 214 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3iut s VAL 214 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3iut s VAL 214 CO -0.01 0.50 0.27 0.61 0.00 0.00 0.00 175.10 176.47