#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib6 n THR 3 N 0.00 0.37 -4.98 1.96 -2.24 -0.70 -4.94 114.28 103.75 3ib6 n THR 3 Ca 0.00 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 3ib6 n THR 3 Cb 0.00 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 67.87 3ib6 n THR 3 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ib6 s HIS 4 N -2.59 1.86 -0.19 4.78 3.76 -0.87 0.12 115.29 122.16 3ib6 s HIS 4 Ca -0.05 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 3ib6 s HIS 4 Cb 0.06 -1.19 0.00 0.00 1.11 0.00 0.00 32.58 32.56 3ib6 s HIS 4 CO 0.50 -0.02 -0.11 0.08 -0.85 0.00 0.00 174.74 174.34 3ib6 s VAL 5 N -0.53 2.85 -0.24 -0.90 1.01 -0.06 -1.56 120.40 120.96 3ib6 s VAL 5 Ca 0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3ib6 s VAL 5 Cb -0.08 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3ib6 s VAL 5 CO -0.00 0.48 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 3ib6 s ILE 6 N 1.21 4.87 -0.11 2.22 1.01 -0.08 -1.05 121.20 129.26 3ib6 s ILE 6 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3ib6 s ILE 6 Cb -0.14 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3ib6 s ILE 6 CO -0.05 0.34 0.05 0.26 0.00 0.00 0.00 174.94 175.54 3ib6 s TRP 7 N 1.34 3.31 0.53 3.97 0.52 -0.07 -1.29 118.94 127.24 3ib6 s TRP 7 Ca 0.06 0.27 -0.16 0.00 0.02 0.00 0.00 56.10 56.29 3ib6 s TRP 7 Cb -0.15 -1.89 -0.07 0.00 -1.15 0.00 0.00 33.47 30.21 3ib6 s TRP 7 CO 0.05 0.49 0.99 0.34 0.02 0.00 0.00 176.95 178.85 3ib6 s ASP 8 N -0.68 6.56 0.00 2.95 2.15 -0.52 -1.71 116.67 125.42 3ib6 s ASP 8 Ca 0.12 1.55 0.00 0.00 0.43 0.00 0.00 52.55 54.65 3ib6 s ASP 8 Cb -0.12 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3ib6 s ASP 8 CO 0.02 -0.63 0.00 0.23 -0.17 0.00 0.00 175.17 174.62 3ib6 n MET 9 N -1.75 0.00 -1.68 4.34 2.81 -1.26 -3.74 117.12 115.84 3ib6 n MET 9 Ca 0.06 0.01 -0.54 0.00 -1.81 0.00 0.00 57.70 55.42 3ib6 n MET 9 Cb 0.54 -0.24 -0.06 0.00 -0.71 0.00 0.00 33.22 32.75 3ib6 n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ib6 n GLY 10 N 2.05 0.92 2.74 3.03 0.00 -1.26 -1.41 105.19 111.27 3ib6 n GLY 10 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3ib6 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ib6 n GLU 11 N 4.95 -0.90 0.04 1.61 1.02 -0.07 -4.80 120.64 122.48 3ib6 n GLU 11 Ca 0.24 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3ib6 n GLU 11 Cb 0.18 -4.02 0.00 0.00 -0.02 0.00 0.00 31.44 27.59 3ib6 n GLU 11 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ib6 n THR 12 N -2.36 0.58 0.01 2.62 -2.24 -0.71 -4.69 114.28 107.49 3ib6 n THR 12 Ca 0.00 0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 3ib6 n THR 12 Cb 0.23 -1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 67.15 3ib6 n THR 12 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ib6 h LEU 13 N 0.00 0.13 -8.43 3.22 3.38 -1.32 -3.44 115.31 108.84 3ib6 h LEU 13 Ca 0.00 -0.22 -0.22 0.00 0.09 0.00 0.00 57.88 57.53 3ib6 h LEU 13 Cb 0.00 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 40.56 3ib6 h LEU 13 CO 0.00 1.19 -0.70 0.54 0.09 0.00 0.00 178.44 179.56 3ib6 s ASN 14 N -6.49 1.12 1.05 -0.43 4.22 -0.79 -1.15 114.94 112.46 3ib6 s ASN 14 Ca -0.07 -1.00 -0.16 0.00 -2.14 0.00 0.00 52.86 49.49 3ib6 s ASN 14 Cb 0.08 0.10 0.22 0.00 1.28 0.00 0.00 41.25 42.92 3ib6 s ASN 14 CO 0.82 -0.47 1.18 0.42 -2.04 0.00 0.00 177.10 177.02 3ib6 s THR 15 N -3.60 1.84 0.15 0.54 -4.23 0.12 -0.89 115.64 109.57 3ib6 s THR 15 Ca 0.11 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.69 3ib6 s THR 15 Cb 0.05 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3ib6 s THR 15 CO -0.05 0.00 -0.14 0.54 -0.54 0.00 0.00 174.62 174.43 3ib6 s VAL 16 N -3.36 1.50 0.79 2.29 0.11 -1.26 -4.45 120.40 116.02 3ib6 s VAL 16 Ca 0.70 -1.93 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 3ib6 s VAL 16 Cb -0.09 -1.77 0.03 0.00 -1.53 0.00 0.00 36.38 33.02 3ib6 s VAL 16 CO 0.54 -0.49 0.87 -2.65 -3.33 0.00 0.00 175.10 170.04 3ib6 n PRO 17 N 0.15 0.21 0.28 1.54 -0.02 -1.26 -4.65 135.00 131.25 3ib6 n PRO 17 Ca -0.12 0.13 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3ib6 n PRO 17 Cb 0.58 -2.16 0.84 0.00 -0.02 0.00 0.00 33.50 32.74 3ib6 n PRO 17 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ib6 h ASN 18 N -0.73 0.00 0.40 2.55 2.35 -1.96 -0.59 115.58 117.61 3ib6 h ASN 18 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3ib6 h ASN 18 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 3ib6 h ASN 18 CO 0.44 0.06 0.00 0.35 -1.65 0.00 0.00 177.43 176.63 3ib6 n THR 19 N -3.64 0.07 0.00 2.81 -2.24 -1.26 -4.94 114.28 105.08 3ib6 n THR 19 Ca -0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3ib6 n THR 19 Cb 0.17 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3ib6 n THR 19 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ib6 n ARG 20 N -1.22 0.00 -3.43 -0.78 0.00 -0.23 -4.89 116.66 106.11 3ib6 n ARG 20 Ca 0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.65 3ib6 n ARG 20 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.60 3ib6 n ARG 20 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3ib6 s TYR 21 N 0.00 3.59 -0.82 2.89 1.51 -1.26 -4.42 117.35 118.83 3ib6 s TYR 21 Ca 0.00 0.96 -0.19 0.00 -1.01 0.00 0.00 57.07 56.83 3ib6 s TYR 21 Cb 0.00 -2.29 0.12 0.00 -0.11 0.00 0.00 41.96 39.68 3ib6 s TYR 21 CO 0.00 0.45 1.01 0.16 -1.11 0.00 0.00 175.55 176.07 3ib6 s ASP 22 N -1.76 6.49 0.32 2.29 -4.77 -1.26 -4.85 116.67 113.12 3ib6 s ASP 22 Ca 0.37 -1.80 0.26 0.00 -3.30 0.00 0.00 52.55 48.07 3ib6 s ASP 22 Cb -0.14 -2.38 0.78 0.00 -1.09 0.00 0.00 42.92 40.09 3ib6 s ASP 22 CO 0.19 -1.11 1.74 0.45 0.70 0.00 0.00 175.17 177.14 3ib6 h HIS 23 N 8.95 0.00 -1.80 2.11 3.86 -1.97 -3.02 115.15 123.28 3ib6 h HIS 23 Ca 0.01 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.62 3ib6 h HIS 23 Cb 1.04 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.38 3ib6 h HIS 23 CO 1.07 0.00 -0.59 -1.01 0.86 0.00 0.00 177.93 178.26 3ib6 s HIS 24 N -3.23 2.32 0.43 2.45 3.76 -1.26 -4.90 115.29 114.85 3ib6 s HIS 24 Ca 0.07 -0.77 -0.25 0.00 -0.15 0.00 0.00 55.06 53.96 3ib6 s HIS 24 Cb 0.09 -1.65 -0.10 0.00 1.11 0.00 0.00 32.58 32.04 3ib6 s HIS 24 CO 0.58 0.32 1.26 -2.30 -0.85 0.00 0.00 174.74 173.74 3ib6 n PRO 25 N -0.94 1.88 0.22 8.40 -0.02 -1.26 -4.64 135.00 138.63 3ib6 n PRO 25 Ca -0.06 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.17 3ib6 n PRO 25 Cb 0.67 -2.37 0.50 0.00 -0.02 0.00 0.00 33.50 32.27 3ib6 n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ib6 h LEU 26 N 2.01 0.00 -0.01 2.45 5.85 -1.94 -2.48 115.31 121.19 3ib6 h LEU 26 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3ib6 h LEU 26 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ib6 h LEU 26 CO 0.60 0.26 0.00 -0.90 -0.34 0.00 0.00 178.44 178.06 3ib6 n ASP 27 N -3.78 0.02 0.10 1.25 5.75 -1.26 -3.14 116.55 115.49 3ib6 n ASP 27 Ca -0.01 0.50 0.12 0.00 -0.01 0.00 0.00 54.79 55.39 3ib6 n ASP 27 Cb 0.36 -0.51 0.21 0.00 -1.03 0.00 0.00 41.12 40.16 3ib6 n ASP 27 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3ib6 h THR 28 N 0.00 0.00 -3.32 2.12 2.02 -1.80 -3.46 112.91 108.46 3ib6 h THR 28 Ca 0.00 -0.64 -0.58 0.00 0.77 0.00 0.00 66.41 65.96 3ib6 h THR 28 Cb 0.32 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 3ib6 h THR 28 CO 0.00 0.00 0.33 -0.31 0.37 0.00 0.00 175.52 175.91 3ib6 s TYR 29 N -3.18 3.44 0.41 3.16 1.51 -1.19 -4.94 117.35 116.56 3ib6 s TYR 29 Ca 0.07 1.25 0.10 0.00 -1.01 0.00 0.00 57.07 57.47 3ib6 s TYR 29 Cb 0.11 -2.98 0.85 0.00 -0.11 0.00 0.00 41.96 39.84 3ib6 s TYR 29 CO 0.69 -0.19 1.96 -1.00 -1.11 0.00 0.00 175.55 175.90 3ib6 h PRO 30 N 7.26 0.23 0.00 -1.71 0.13 -1.92 -2.99 132.00 133.00 3ib6 h PRO 30 Ca -0.31 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 3ib6 h PRO 30 Cb 1.14 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3ib6 h PRO 30 CO 0.82 0.33 -0.18 1.05 -0.23 0.00 0.00 178.00 179.79 3ib6 h GLU 31 N 0.23 0.00 -6.57 0.86 9.09 -1.93 -3.42 114.58 112.84 3ib6 h GLU 31 Ca 0.05 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.91 3ib6 h GLU 31 Cb 0.29 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.32 3ib6 h GLU 31 CO 0.01 0.18 1.00 0.08 0.05 0.00 0.00 179.01 180.33 3ib6 s VAL 32 N -3.22 4.00 0.12 -1.06 1.01 -1.13 -4.64 120.40 115.48 3ib6 s VAL 32 Ca 0.05 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 3ib6 s VAL 32 Cb 0.07 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.88 3ib6 s VAL 32 CO 0.68 -1.15 0.29 -0.69 0.00 0.00 0.00 175.10 174.23 3ib6 s VAL 33 N 5.13 0.10 0.44 2.92 1.01 -1.26 -4.88 120.40 123.87 3ib6 s VAL 33 Ca 0.48 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 3ib6 s VAL 33 Cb -0.09 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3ib6 s VAL 33 CO 0.28 -0.46 1.25 -0.76 0.00 0.00 0.00 175.10 175.41 3ib6 s LEU 34 N -2.86 4.09 0.63 3.92 1.02 -1.26 0.12 118.68 124.34 3ib6 s LEU 34 Ca 0.07 2.52 -0.11 0.00 0.02 0.00 0.00 54.13 56.63 3ib6 s LEU 34 Cb 0.03 -4.08 -0.03 0.00 0.02 0.00 0.00 46.19 42.13 3ib6 s LEU 34 CO -0.09 -0.96 1.03 -0.13 0.02 0.00 0.00 176.35 176.22 3ib6 s ARG 35 N -2.49 3.48 0.06 1.70 0.52 -0.30 -4.74 118.95 117.17 3ib6 s ARG 35 Ca 0.61 0.80 -0.38 0.00 -0.52 0.00 0.00 55.73 56.24 3ib6 s ARG 35 Cb -0.34 -2.06 -0.18 0.00 0.52 0.00 0.00 34.95 32.88 3ib6 s ARG 35 CO 0.43 -0.66 1.17 1.17 0.02 0.00 0.00 175.30 177.42 3ib6 n LYS 36 N -2.78 0.56 -0.98 3.54 4.81 -1.26 -2.15 118.16 119.89 3ib6 n LYS 36 Ca 0.06 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3ib6 n LYS 36 Cb 0.54 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.85 3ib6 n LYS 36 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ib6 n ASN 37 N 1.97 -4.08 -0.06 3.14 5.03 -1.26 -4.87 115.26 115.14 3ib6 n ASN 37 Ca 0.19 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.53 3ib6 n ASN 37 Cb 0.14 -1.88 -0.04 0.00 -1.02 0.00 0.00 39.78 36.98 3ib6 n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ib6 h ALA 38 N 0.00 0.26 -0.58 5.41 0.00 -1.74 -0.61 119.26 122.01 3ib6 h ALA 38 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ib6 h ALA 38 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ib6 h ALA 38 CO 0.00 -0.13 0.18 0.87 0.00 0.00 0.00 179.25 180.17 3ib6 h LYS 39 N 0.16 0.90 -0.27 0.00 1.57 -1.91 -0.99 116.57 116.02 3ib6 h LYS 39 Ca 0.07 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 3ib6 h LYS 39 Cb 0.21 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ib6 h LYS 39 CO -0.00 0.81 -0.34 0.93 -0.57 0.00 0.00 179.45 180.27 3ib6 h GLU 40 N 0.81 0.72 -0.27 3.15 3.07 -1.95 -1.98 114.58 118.12 3ib6 h GLU 40 Ca 0.19 -0.40 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 3ib6 h GLU 40 Cb 0.28 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3ib6 h GLU 40 CO -0.01 1.02 0.13 1.15 -1.40 0.00 0.00 179.01 179.91 3ib6 h THR 41 N 0.45 0.99 -0.76 1.13 2.02 -1.05 0.27 112.91 115.96 3ib6 h THR 41 Ca 0.03 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.21 3ib6 h THR 41 Cb 0.93 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3ib6 h THR 41 CO 0.08 0.05 0.41 -0.07 0.37 0.00 0.00 175.52 176.37 3ib6 h LEU 42 N 0.28 0.57 -0.05 2.58 3.38 -1.11 0.63 115.31 121.59 3ib6 h LEU 42 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ib6 h LEU 42 Cb 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ib6 h LEU 42 CO -0.08 0.33 -0.00 -0.08 0.09 0.00 0.00 178.44 178.70 3ib6 h GLU 43 N 0.70 0.09 -0.86 1.13 4.57 -0.90 -1.84 114.58 117.46 3ib6 h GLU 43 Ca 0.37 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.71 3ib6 h GLU 43 Cb 0.36 -0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.83 3ib6 h GLU 43 CO -0.25 0.39 0.38 0.87 -1.18 0.00 0.00 179.01 179.22 3ib6 h LYS 44 N -0.22 0.44 -0.28 1.92 1.57 0.18 -1.08 116.57 119.11 3ib6 h LYS 44 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3ib6 h LYS 44 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3ib6 h LYS 44 CO 0.00 0.29 -0.07 0.28 -0.57 0.00 0.00 179.45 179.38 3ib6 h VAL 45 N 0.45 1.28 -0.84 0.50 2.07 -0.65 -1.23 116.25 117.83 3ib6 h VAL 45 Ca 0.51 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3ib6 h VAL 45 Cb 0.89 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3ib6 h VAL 45 CO -0.47 0.35 0.48 0.50 0.02 0.00 0.00 177.57 178.44 3ib6 h LYS 46 N 0.29 1.17 0.00 1.57 3.64 -0.75 -2.22 116.57 120.27 3ib6 h LYS 46 Ca 0.07 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3ib6 h LYS 46 Cb 0.55 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ib6 h LYS 46 CO 0.03 0.85 -0.13 0.37 -2.27 0.00 0.00 179.45 178.29 3ib6 h GLN 47 N 1.17 0.00 0.00 1.90 5.75 -0.95 0.87 115.11 123.85 3ib6 h GLN 47 Ca 0.30 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3ib6 h GLN 47 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3ib6 h GLN 47 CO -0.05 0.13 0.00 1.28 -2.65 0.00 0.00 178.83 177.54 3ib6 n LEU 48 N -3.30 0.67 0.00 -2.39 4.77 -0.49 -4.93 117.00 111.33 3ib6 n LEU 48 Ca 0.00 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3ib6 n LEU 48 Cb 0.37 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3ib6 n LEU 48 CO 0.31 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 3ib6 n GLY 49 N 0.78 0.84 3.78 -0.72 0.00 0.30 -5.09 105.19 105.07 3ib6 n GLY 49 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ib6 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ib6 s PHE 50 N -2.00 3.78 0.34 1.61 0.40 -1.17 -5.01 117.98 115.93 3ib6 s PHE 50 Ca 0.00 1.69 -0.08 0.00 -0.60 0.00 0.00 56.93 57.94 3ib6 s PHE 50 Cb 0.00 -2.83 -0.06 0.00 0.51 0.00 0.00 43.02 40.64 3ib6 s PHE 50 CO 0.00 0.35 0.65 0.15 0.70 0.00 0.00 175.22 177.07 3ib6 s LYS 51 N -1.68 3.71 0.11 0.44 1.02 0.12 -4.45 119.74 119.00 3ib6 s LYS 51 Ca 0.44 0.23 0.04 0.00 0.02 0.00 0.00 55.97 56.69 3ib6 s LYS 51 Cb -0.20 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3ib6 s LYS 51 CO 0.25 0.11 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.04 3ib6 s GLN 52 N -3.65 0.91 0.13 1.68 -0.21 -1.26 -0.88 119.66 116.40 3ib6 s GLN 52 Ca 0.47 -1.24 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 3ib6 s GLN 52 Cb -0.11 -0.59 0.01 0.00 1.00 0.00 0.00 33.01 33.33 3ib6 s GLN 52 CO 0.30 0.09 0.31 0.00 -2.12 0.00 0.00 175.29 173.87 3ib6 s ALA 53 N -2.64 -0.40 -0.10 6.09 0.00 -0.22 -0.45 121.76 124.04 3ib6 s ALA 53 Ca 0.08 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.55 3ib6 s ALA 53 Cb -0.02 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 3ib6 s ALA 53 CO 0.00 -0.62 -0.23 0.42 0.00 0.00 0.00 175.76 175.33 3ib6 s ILE 54 N -3.88 2.16 -0.24 0.00 -1.09 0.69 -0.89 121.20 117.96 3ib6 s ILE 54 Ca 0.09 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3ib6 s ILE 54 Cb 0.03 -1.83 0.07 0.00 -1.58 0.00 0.00 42.46 39.15 3ib6 s ILE 54 CO -0.07 0.56 0.01 -0.22 -1.23 0.00 0.00 174.94 173.99 3ib6 s LEU 55 N 0.33 2.10 -0.04 2.97 2.96 -0.70 -1.46 118.68 124.85 3ib6 s LEU 55 Ca -0.18 -1.16 0.04 0.00 -0.22 0.00 0.00 54.13 52.61 3ib6 s LEU 55 Cb -0.18 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.58 3ib6 s LEU 55 CO 0.09 -0.30 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.11 3ib6 s SER 56 N 1.58 1.96 -0.13 3.68 0.15 -0.43 -4.31 113.70 116.19 3ib6 s SER 56 Ca -0.01 -0.32 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 3ib6 s SER 56 Cb -0.18 -0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 63.62 3ib6 s SER 56 CO -0.10 0.14 0.90 0.20 1.20 0.00 0.00 173.24 175.59 3ib6 s ASN 57 N 0.01 7.09 0.21 5.45 0.01 -1.26 -0.87 114.94 125.57 3ib6 s ASN 57 Ca -0.02 1.33 0.02 0.00 -0.71 0.00 0.00 52.86 53.48 3ib6 s ASN 57 Cb -0.10 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3ib6 s ASN 57 CO 0.01 -0.40 0.03 0.42 -1.51 0.00 0.00 177.10 175.65 3ib6 s THR 58 N 2.00 0.71 0.00 1.60 -4.23 -1.26 -4.85 115.64 109.61 3ib6 s THR 58 Ca 0.43 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3ib6 s THR 58 Cb -0.17 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3ib6 s THR 58 CO 0.15 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 173.93 3ib6 n ALA 59 N -0.34 0.00 -0.01 3.99 0.00 -1.26 0.74 120.51 123.62 3ib6 n ALA 59 Ca -0.04 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.42 3ib6 n ALA 59 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 3ib6 n ALA 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ib6 n THR 60 N -1.81 0.02 -3.12 0.00 -1.04 -1.14 -1.38 114.28 105.80 3ib6 n THR 60 Ca 0.00 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 3ib6 n THR 60 Cb 0.00 0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.50 3ib6 n THR 60 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3ib6 s SER 61 N -4.22 6.60 0.78 8.00 0.01 -1.26 -4.89 113.70 118.72 3ib6 s SER 61 Ca -0.07 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.88 3ib6 s SER 61 Cb 0.12 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 64.15 3ib6 s SER 61 CO 0.80 -0.34 0.89 -0.90 0.41 0.00 0.00 173.24 174.09 3ib6 n ASP 62 N 5.53 0.73 0.06 2.44 5.68 -1.26 -4.02 116.55 125.71 3ib6 n ASP 62 Ca -0.01 -1.73 0.01 0.00 -0.50 0.00 0.00 54.79 52.56 3ib6 n ASP 62 Cb 0.49 -0.62 0.33 0.00 -1.14 0.00 0.00 41.12 40.19 3ib6 n ASP 62 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3ib6 h THR 63 N -0.92 1.19 -0.50 2.12 2.02 -1.95 -2.52 112.91 112.35 3ib6 h THR 63 Ca -0.29 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.08 3ib6 h THR 63 Cb 0.96 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3ib6 h THR 63 CO 0.27 0.27 0.33 -0.08 0.37 0.00 0.00 175.52 176.67 3ib6 h GLU 64 N 0.37 0.65 -0.13 6.66 4.81 -1.98 -1.65 114.58 123.31 3ib6 h GLU 64 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3ib6 h GLU 64 Cb 0.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ib6 h GLU 64 CO 0.02 0.43 0.06 0.28 -0.73 0.00 0.00 179.01 179.07 3ib6 h VAL 65 N 0.66 1.13 -0.49 0.32 2.07 -1.83 -2.32 116.25 115.80 3ib6 h VAL 65 Ca 0.19 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3ib6 h VAL 65 Cb -0.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ib6 h VAL 65 CO -0.05 0.12 0.33 0.40 0.02 0.00 0.00 177.57 178.38 3ib6 h ILE 66 N 0.08 0.98 -0.74 4.57 5.03 -1.36 -0.34 117.51 125.72 3ib6 h ILE 66 Ca 0.04 -0.15 -0.03 0.00 -0.12 0.00 0.00 64.86 64.61 3ib6 h ILE 66 Cb 0.13 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 34.40 3ib6 h ILE 66 CO -0.01 0.08 0.33 0.11 -0.68 0.00 0.00 178.15 177.99 3ib6 h LYS 67 N 0.43 1.06 -0.25 2.37 1.57 -0.78 -1.93 116.57 119.03 3ib6 h LYS 67 Ca 0.21 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3ib6 h LYS 67 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ib6 h LYS 67 CO -0.05 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.74 3ib6 h ARG 68 N 1.05 0.39 0.01 3.15 3.08 -0.62 -1.55 114.38 119.89 3ib6 h ARG 68 Ca 0.25 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3ib6 h ARG 68 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3ib6 h ARG 68 CO -0.03 0.47 -0.17 0.28 -1.07 0.00 0.00 179.97 179.45 3ib6 h VAL 69 N 0.24 0.58 -0.51 2.04 2.07 -1.22 0.72 116.25 120.18 3ib6 h VAL 69 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3ib6 h VAL 69 Cb 0.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3ib6 h VAL 69 CO -0.00 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.75 3ib6 h LEU 70 N -0.29 0.65 0.05 2.57 3.38 -1.35 -2.11 115.31 118.21 3ib6 h LEU 70 Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ib6 h LEU 70 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ib6 h LEU 70 CO -0.16 0.57 -0.02 0.74 0.09 0.00 0.00 178.44 179.66 3ib6 h THR 71 N 0.72 1.30 -0.82 0.22 2.02 -0.91 -0.54 112.91 114.91 3ib6 h THR 71 Ca 0.18 -1.28 0.20 0.00 0.77 0.00 0.00 66.41 66.28 3ib6 h THR 71 Cb 0.11 2.13 -0.13 0.00 -1.74 0.00 0.00 68.15 68.52 3ib6 h THR 71 CO -0.02 0.32 0.23 0.78 0.37 0.00 0.00 175.52 177.19 3ib6 h ASN 72 N -0.65 0.04 -0.47 4.18 -0.26 -0.78 -1.17 115.58 116.48 3ib6 h ASN 72 Ca -0.01 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3ib6 h ASN 72 Cb 0.57 0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 3ib6 h ASN 72 CO 0.01 -0.08 0.00 0.49 -1.06 0.00 0.00 177.43 176.79 3ib6 n PHE 73 N -5.17 1.02 -1.64 1.19 3.72 -0.80 -4.93 117.46 110.84 3ib6 n PHE 73 Ca 0.18 -0.41 -0.10 0.00 -0.05 0.00 0.00 57.45 57.07 3ib6 n PHE 73 Cb 0.57 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3ib6 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ib6 n GLY 74 N 0.94 0.67 0.00 1.37 0.00 -0.44 -4.89 105.19 102.83 3ib6 n GLY 74 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ib6 n GLY 74 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ib6 n ILE 75 N -3.23 0.34 -0.31 -0.61 -5.35 -0.28 -4.78 119.36 105.15 3ib6 n ILE 75 Ca -0.10 -0.56 0.23 0.00 -0.27 0.00 0.00 62.75 62.05 3ib6 n ILE 75 Cb 0.42 0.95 0.53 0.00 -1.74 0.00 0.00 39.64 39.81 3ib6 n ILE 75 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3ib6 h ILE 76 N 0.41 0.54 -0.01 7.28 6.09 -1.68 -2.53 117.51 127.60 3ib6 h ILE 76 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3ib6 h ILE 76 Cb 0.33 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.77 3ib6 h ILE 76 CO 0.00 0.06 0.00 0.47 -3.07 0.00 0.00 178.15 175.61 3ib6 n ASP 77 N -4.56 0.51 0.22 2.19 8.00 -1.26 -2.69 116.55 118.96 3ib6 n ASP 77 Ca 0.24 -1.23 0.10 0.00 0.71 0.00 0.00 54.79 54.61 3ib6 n ASP 77 Cb 0.88 -0.01 0.38 0.00 -0.02 0.00 0.00 41.12 42.35 3ib6 n ASP 77 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3ib6 h TYR 78 N 0.78 0.00 -3.31 1.24 -1.99 -1.82 -3.47 116.97 108.39 3ib6 h TYR 78 Ca 0.00 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.09 3ib6 h TYR 78 Cb 0.17 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.70 3ib6 h TYR 78 CO 0.01 0.19 -0.65 -0.06 -0.00 0.00 0.00 178.16 177.65 3ib6 s PHE 79 N -3.46 3.07 -0.49 4.88 0.08 -1.10 -4.00 117.98 116.96 3ib6 s PHE 79 Ca 0.02 -0.19 0.24 0.00 0.12 0.00 0.00 56.93 57.12 3ib6 s PHE 79 Cb 0.09 -1.96 0.24 0.00 -0.57 0.00 0.00 43.02 40.81 3ib6 s PHE 79 CO 0.64 0.04 1.26 -0.44 -0.10 0.00 0.00 175.22 176.62 3ib6 h ASP 80 N 6.54 0.00 -3.95 1.36 3.32 -1.09 -3.47 116.42 119.14 3ib6 h ASP 80 Ca -0.34 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 3ib6 h ASP 80 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 3ib6 h ASP 80 CO 0.63 0.06 -0.11 0.12 -1.72 0.00 0.00 179.24 178.23 3ib6 s PHE 81 N -3.23 -0.57 -0.03 4.55 5.36 -1.26 -5.04 117.98 117.77 3ib6 s PHE 81 Ca 0.04 1.37 -0.01 0.00 -0.96 0.00 0.00 56.93 57.37 3ib6 s PHE 81 Cb 0.11 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 43.01 3ib6 s PHE 81 CO 0.74 -0.28 0.06 0.42 -1.46 0.00 0.00 175.22 174.70 3ib6 s ILE 82 N 0.23 -0.03 -0.16 3.12 1.01 -1.26 -0.22 121.20 123.90 3ib6 s ILE 82 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 3ib6 s ILE 82 Cb -0.04 -0.11 0.05 0.00 0.01 0.00 0.00 42.46 42.38 3ib6 s ILE 82 CO 0.01 0.04 0.38 -0.47 0.00 0.00 0.00 174.94 174.90 3ib6 s TYR 83 N 0.54 -0.54 -0.11 3.97 5.04 -0.53 -4.94 117.35 120.77 3ib6 s TYR 83 Ca -0.04 1.18 -0.02 0.00 -2.44 0.00 0.00 57.07 55.75 3ib6 s TYR 83 Cb -0.06 0.22 -0.03 0.00 0.35 0.00 0.00 41.96 42.44 3ib6 s TYR 83 CO -0.02 -0.31 -0.03 0.00 -1.34 0.00 0.00 175.55 173.85 3ib6 s ALA 84 N 1.23 3.11 0.27 3.97 0.00 -1.26 -1.32 121.76 127.76 3ib6 s ALA 84 Ca -0.08 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.15 3ib6 s ALA 84 Cb -0.08 -1.47 0.35 0.00 0.00 0.00 0.00 23.12 21.92 3ib6 s ALA 84 CO -0.10 0.43 1.61 0.66 0.00 0.00 0.00 175.76 178.35 3ib6 h SER 85 N 5.82 0.00 -6.32 0.00 4.64 -1.27 -3.40 113.55 113.02 3ib6 h SER 85 Ca -0.42 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.51 3ib6 h SER 85 Cb 1.19 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.31 3ib6 h SER 85 CO 0.58 0.62 -0.82 -3.20 -0.87 0.00 0.00 176.83 173.14 3ib6 n ASN 86 N -3.79 -5.52 0.15 4.97 4.05 -1.09 -4.84 115.26 109.19 3ib6 n ASN 86 Ca -0.01 -0.85 0.09 0.00 0.45 0.00 0.00 54.58 54.25 3ib6 n ASN 86 Cb 0.62 -2.99 0.07 0.00 1.23 0.00 0.00 39.78 38.71 3ib6 n ASN 86 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3ib6 h SER 87 N -0.99 0.00 -0.20 1.20 0.02 0.16 -3.22 113.55 110.51 3ib6 h SER 87 Ca -0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3ib6 h SER 87 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3ib6 h SER 87 CO 0.41 0.17 0.00 -0.62 -1.14 0.00 0.00 176.83 175.65 3ib6 n GLU 88 N -3.00 1.52 -0.06 3.45 1.02 -0.83 -4.23 120.64 118.51 3ib6 n GLU 88 Ca 0.01 -0.73 -0.03 0.00 -0.02 0.00 0.00 57.16 56.38 3ib6 n GLU 88 Cb 0.61 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 3ib6 n GLU 88 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ib6 h LEU 89 N 1.17 0.00 -9.69 -4.62 5.85 -1.71 -3.47 115.31 102.83 3ib6 h LEU 89 Ca 0.00 -0.09 -0.56 0.00 0.84 0.00 0.00 57.88 58.06 3ib6 h LEU 89 Cb 0.32 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 3ib6 h LEU 89 CO 0.01 0.66 -0.58 -1.10 -0.34 0.00 0.00 178.44 177.08 3ib6 s GLN 90 N -1.85 2.23 0.51 1.25 -1.52 -1.26 -5.14 119.66 113.89 3ib6 s GLN 90 Ca -0.07 -1.63 -0.17 0.00 -1.95 0.00 0.00 55.36 51.54 3ib6 s GLN 90 Cb 0.01 -2.06 -0.08 0.00 -0.22 0.00 0.00 33.01 30.66 3ib6 s GLN 90 CO 0.14 0.15 0.99 -1.25 -0.25 0.00 0.00 175.29 175.07 3ib6 s PRO 91 N -3.77 3.91 -0.38 2.91 0.04 -1.26 -4.29 135.00 132.16 3ib6 s PRO 91 Ca 0.36 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3ib6 s PRO 91 Cb -0.02 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3ib6 s PRO 91 CO 0.21 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3ib6 n GLY 92 N -1.40 0.61 3.76 0.56 0.00 -1.26 -5.00 105.19 102.47 3ib6 n GLY 92 Ca 0.07 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3ib6 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib6 s LYS 93 N -1.61 4.48 0.14 1.61 1.02 -1.26 -4.98 119.74 119.14 3ib6 s LYS 93 Ca 0.00 1.99 -0.34 0.00 0.02 0.00 0.00 55.97 57.64 3ib6 s LYS 93 Cb 0.00 -3.10 -0.16 0.00 -0.52 0.00 0.00 37.83 34.05 3ib6 s LYS 93 CO 0.00 0.00 1.23 -1.33 -0.92 0.00 0.00 175.35 174.33 3ib6 n MET 94 N 0.94 1.17 -3.62 1.68 2.81 -1.26 -5.00 117.12 113.84 3ib6 n MET 94 Ca -0.00 0.42 -0.13 0.00 -1.81 0.00 0.00 57.70 56.18 3ib6 n MET 94 Cb 0.44 -1.97 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 3ib6 n MET 94 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3ib6 s GLU 95 N -0.06 0.99 0.43 0.03 -1.05 -1.26 -4.75 118.70 113.03 3ib6 s GLU 95 Ca 0.77 -0.35 -0.26 0.00 -0.15 0.00 0.00 54.97 54.99 3ib6 s GLU 95 Cb -0.89 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 33.16 3ib6 s GLU 95 CO 0.50 -0.35 1.41 0.15 0.95 0.00 0.00 175.26 177.92 3ib6 s LYS 96 N -2.62 3.79 -0.12 -4.83 1.02 -1.26 -0.96 119.74 114.76 3ib6 s LYS 96 Ca -0.04 2.39 0.08 0.00 0.02 0.00 0.00 55.97 58.42 3ib6 s LYS 96 Cb -0.00 -2.71 0.46 0.00 -0.52 0.00 0.00 37.83 35.05 3ib6 s LYS 96 CO -0.03 -0.72 1.21 -0.35 -0.92 0.00 0.00 175.35 174.54 3ib6 n PRO 97 N -0.05 3.11 -1.64 -1.68 -0.04 -1.25 -4.83 135.00 128.62 3ib6 n PRO 97 Ca 0.04 -1.76 -0.50 0.00 -0.04 0.00 0.00 63.50 61.25 3ib6 n PRO 97 Cb 0.42 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 3ib6 n PRO 97 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ib6 n ASP 98 N 0.39 2.42 -0.06 3.54 10.43 -0.13 -4.57 116.55 128.57 3ib6 n ASP 98 Ca 0.16 1.09 0.11 0.00 2.57 0.00 0.00 54.79 58.71 3ib6 n ASP 98 Cb 0.75 -1.30 0.49 0.00 1.84 0.00 0.00 41.12 42.91 3ib6 n ASP 98 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 3ib6 h LYS 99 N 5.66 0.41 -0.97 -1.24 3.64 -1.88 -1.95 116.57 120.24 3ib6 h LYS 99 Ca -0.47 -0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.14 3ib6 h LYS 99 Cb 1.30 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.89 3ib6 h LYS 99 CO 0.85 0.27 0.51 1.15 -2.27 0.00 0.00 179.45 179.96 3ib6 h THR 100 N 0.42 0.46 0.01 1.00 2.02 -1.94 0.94 112.91 115.81 3ib6 h THR 100 Ca 0.25 -0.16 -0.20 0.00 0.77 0.00 0.00 66.41 67.07 3ib6 h THR 100 Cb 0.44 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3ib6 h THR 100 CO -0.07 0.08 -0.89 -0.29 0.37 0.00 0.00 175.52 174.73 3ib6 h ILE 101 N 0.46 1.49 -0.20 3.11 2.10 -1.65 -1.72 117.51 121.09 3ib6 h ILE 101 Ca 0.63 -2.63 -0.13 0.00 1.08 0.00 0.00 64.86 63.81 3ib6 h ILE 101 Cb 1.26 2.48 0.00 0.00 -1.09 0.00 0.00 36.82 39.47 3ib6 h ILE 101 CO -0.53 0.77 -0.39 -0.26 -1.08 0.00 0.00 178.15 176.66 3ib6 h PHE 102 N 0.11 0.78 -0.35 2.19 -1.00 -1.45 -1.14 116.94 116.08 3ib6 h PHE 102 Ca -0.05 -0.28 -0.10 0.00 2.81 0.00 0.00 57.97 60.36 3ib6 h PHE 102 Cb 1.53 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.92 3ib6 h PHE 102 CO 0.03 1.03 -0.18 -0.44 -1.61 0.00 0.00 178.31 177.14 3ib6 h ASP 103 N 0.30 0.65 -0.78 2.17 3.32 -0.88 0.20 116.42 121.39 3ib6 h ASP 103 Ca 0.01 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.87 3ib6 h ASP 103 Cb 0.98 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3ib6 h ASP 103 CO 0.09 0.84 0.51 0.15 -1.72 0.00 0.00 179.24 179.10 3ib6 h PHE 104 N 0.58 0.95 -0.02 4.55 3.57 -1.28 0.32 116.94 125.62 3ib6 h PHE 104 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3ib6 h PHE 104 Cb 0.64 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3ib6 h PHE 104 CO 0.03 0.57 0.00 1.15 -2.23 0.00 0.00 178.31 177.83 3ib6 h THR 105 N 1.01 1.24 -0.34 4.41 2.02 -0.37 -1.97 112.91 118.91 3ib6 h THR 105 Ca 0.30 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 3ib6 h THR 105 Cb -0.04 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3ib6 h THR 105 CO -0.09 0.20 0.20 -0.07 0.37 0.00 0.00 175.52 176.13 3ib6 h LEU 106 N -0.26 0.42 -0.41 2.58 3.38 -0.53 -1.56 115.31 118.93 3ib6 h LEU 106 Ca 0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3ib6 h LEU 106 Cb 0.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3ib6 h LEU 106 CO 0.00 0.35 0.16 -1.13 0.09 0.00 0.00 178.44 177.91 3ib6 h ASN 107 N 0.44 0.19 -0.53 -0.43 -1.24 -0.94 1.00 115.58 114.07 3ib6 h ASN 107 Ca 0.12 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3ib6 h ASN 107 Cb 0.02 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 3ib6 h ASN 107 CO -0.02 0.14 0.33 0.00 -1.29 0.00 0.00 177.43 176.59 3ib6 h ALA 108 N 1.26 1.56 -0.00 1.57 0.00 -0.98 0.24 119.26 122.91 3ib6 h ALA 108 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ib6 h ALA 108 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ib6 h ALA 108 CO -0.18 0.38 -0.09 1.28 0.00 0.00 0.00 179.25 180.64 3ib6 n LEU 109 N -4.43 0.13 -3.44 0.00 4.77 -0.62 -4.93 117.00 108.48 3ib6 n LEU 109 Ca 0.05 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.15 3ib6 n LEU 109 Cb 0.07 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 40.85 3ib6 n LEU 109 CO 0.36 0.03 0.20 0.00 -1.33 0.00 0.00 177.39 176.65 3ib6 n GLN 110 N -1.41 -7.30 -4.41 3.23 -0.00 0.28 -5.00 117.38 102.77 3ib6 n GLN 110 Ca 0.09 0.80 -0.20 0.00 -0.00 0.00 0.00 57.00 57.69 3ib6 n GLN 110 Cb 0.32 -5.75 -0.10 0.00 -0.00 0.00 0.00 30.24 24.71 3ib6 n GLN 110 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3ib6 s ILE 111 N -3.32 0.79 0.10 -0.39 -4.36 -0.94 -5.04 121.20 108.04 3ib6 s ILE 111 Ca 0.40 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3ib6 s ILE 111 Cb -0.18 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 3ib6 s ILE 111 CO 0.70 0.00 0.26 -0.62 0.24 0.00 0.00 174.94 175.52 3ib6 s ASP 112 N -3.44 6.38 0.50 4.36 -1.08 -1.26 -4.51 116.67 117.62 3ib6 s ASP 112 Ca 0.34 0.31 0.23 0.00 -0.52 0.00 0.00 52.55 52.91 3ib6 s ASP 112 Cb 0.07 -1.97 1.30 0.00 -1.46 0.00 0.00 42.92 40.86 3ib6 s ASP 112 CO 0.15 0.12 1.98 0.07 0.52 0.00 0.00 175.17 178.00 3ib6 h LYS 113 N 2.79 0.11 0.00 4.34 2.10 -1.90 0.24 116.57 124.24 3ib6 h LYS 113 Ca -0.46 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3ib6 h LYS 113 Cb 1.17 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3ib6 h LYS 113 CO 0.74 0.07 0.00 0.25 -2.00 0.00 0.00 179.45 178.51 3ib6 n THR 114 N -4.41 0.49 0.05 0.07 -2.24 -1.26 -3.55 114.28 103.43 3ib6 n THR 114 Ca 0.11 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3ib6 n THR 114 Cb 0.57 -0.81 0.20 0.00 -2.10 0.00 0.00 70.33 68.20 3ib6 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ib6 n GLU 115 N -1.33 2.42 -4.41 -0.78 1.02 0.85 -4.54 120.64 113.87 3ib6 n GLU 115 Ca 0.08 -2.18 -0.21 0.00 -0.02 0.00 0.00 57.16 54.83 3ib6 n GLU 115 Cb 0.16 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 3ib6 n GLU 115 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ib6 s ALA 116 N -1.18 2.40 -0.00 0.62 0.00 -1.23 -1.72 121.76 120.63 3ib6 s ALA 116 Ca 0.34 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 3ib6 s ALA 116 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3ib6 s ALA 116 CO 0.26 0.18 0.00 0.54 0.00 0.00 0.00 175.76 176.74 3ib6 s VAL 117 N -2.71 -0.00 -0.17 0.00 0.11 -0.60 -3.85 120.40 113.17 3ib6 s VAL 117 Ca 0.26 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 3ib6 s VAL 117 Cb -0.03 -0.02 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 3ib6 s VAL 117 CO 0.11 0.00 0.06 -0.32 -3.33 0.00 0.00 175.10 171.63 3ib6 s MET 118 N 0.05 3.84 -0.09 1.54 1.75 -0.63 -0.90 119.30 124.87 3ib6 s MET 118 Ca -0.00 -0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.11 3ib6 s MET 118 Cb -0.01 -3.17 -0.03 0.00 2.84 0.00 0.00 34.83 34.47 3ib6 s MET 118 CO -0.00 0.36 -0.09 0.08 -0.65 0.00 0.00 175.02 174.72 3ib6 s VAL 119 N 0.12 3.48 0.00 10.11 1.01 -0.41 -0.42 120.40 134.29 3ib6 s VAL 119 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ib6 s VAL 119 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3ib6 s VAL 119 CO 0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3ib6 n GLY 120 N 2.67 0.47 0.01 4.51 0.00 -1.02 -1.43 105.19 110.39 3ib6 n GLY 120 Ca -0.18 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.12 3ib6 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ib6 n ASN 121 N 0.00 1.88 -4.57 1.61 6.94 -1.26 -1.74 115.26 118.12 3ib6 n ASN 121 Ca 0.00 -0.05 -0.36 0.00 -0.02 0.00 0.00 54.58 54.14 3ib6 n ASN 121 Cb 0.00 1.57 -0.11 0.00 -2.36 0.00 0.00 39.78 38.88 3ib6 n ASN 121 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ib6 s THR 122 N -2.87 4.86 0.07 5.53 2.01 -1.26 -1.24 115.64 122.74 3ib6 s THR 122 Ca -0.04 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 3ib6 s THR 122 Cb 0.09 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 3ib6 s THR 122 CO 0.55 0.35 1.46 0.15 -0.69 0.00 0.00 174.62 176.44 3ib6 h PHE 123 N 7.77 0.46 0.00 4.92 3.57 -1.02 -1.58 116.94 131.06 3ib6 h PHE 123 Ca -0.37 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3ib6 h PHE 123 Cb 1.18 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3ib6 h PHE 123 CO 0.67 0.65 0.00 0.93 -2.23 0.00 0.00 178.31 178.33 3ib6 h GLU 124 N 0.13 0.00 0.00 1.11 3.07 -1.95 -1.14 114.58 115.81 3ib6 h GLU 124 Ca 0.05 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.70 3ib6 h GLU 124 Cb 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3ib6 h GLU 124 CO 0.02 0.00 -1.60 -1.13 -1.40 0.00 0.00 179.01 174.90 3ib6 n SER 125 N -2.65 1.21 -0.03 1.42 3.41 -1.23 -4.35 113.62 111.41 3ib6 n SER 125 Ca 0.04 0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.68 3ib6 n SER 125 Cb 0.44 -0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 63.77 3ib6 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ib6 h ASP 126 N -0.57 0.20 0.02 4.04 3.32 -1.42 -3.18 116.42 118.83 3ib6 h ASP 126 Ca -0.32 -0.90 -0.13 0.00 0.02 0.00 0.00 57.03 55.70 3ib6 h ASP 126 Cb 1.18 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3ib6 h ASP 126 CO -0.19 1.27 -0.68 0.40 -1.72 0.00 0.00 179.24 178.32 3ib6 h ILE 127 N -0.71 1.37 -0.42 0.35 1.08 -1.37 -2.31 117.51 115.50 3ib6 h ILE 127 Ca -0.13 -2.30 -0.12 0.00 -0.39 0.00 0.00 64.86 61.92 3ib6 h ILE 127 Cb 1.35 2.88 -0.01 0.00 -3.07 0.00 0.00 36.82 37.96 3ib6 h ILE 127 CO 0.03 0.52 -0.21 0.40 -0.69 0.00 0.00 178.15 178.20 3ib6 h ILE 128 N -0.88 1.27 -0.50 -0.67 1.08 -1.45 -0.95 117.51 115.41 3ib6 h ILE 128 Ca -0.17 -1.33 0.02 0.00 -0.39 0.00 0.00 64.86 62.99 3ib6 h ILE 128 Cb 1.24 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.13 3ib6 h ILE 128 CO -0.06 0.45 0.30 1.23 -0.69 0.00 0.00 178.15 179.38 3ib6 h GLY 129 N 0.95 0.70 0.91 5.37 0.00 -1.66 -1.21 103.07 108.14 3ib6 h GLY 129 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3ib6 h GLY 129 CO 0.06 0.20 0.09 0.00 0.00 0.00 0.00 176.54 176.88 3ib6 h ALA 130 N 1.22 0.25 -0.75 3.60 0.00 -1.10 -2.72 119.26 119.76 3ib6 h ALA 130 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ib6 h ALA 130 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ib6 h ALA 130 CO -0.09 -0.19 0.32 -0.97 0.00 0.00 0.00 179.25 178.33 3ib6 h ASN 131 N 0.18 1.01 1.22 0.00 -0.73 -0.88 0.52 115.58 116.90 3ib6 h ASN 131 Ca 0.07 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 3ib6 h ASN 131 Cb 0.12 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 3ib6 h ASN 131 CO -0.01 0.89 -0.03 0.03 -0.37 0.00 0.00 177.43 177.94 3ib6 h ARG 132 N 1.07 0.00 -0.07 6.67 3.08 -1.21 -2.17 114.38 121.74 3ib6 h ARG 132 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3ib6 h ARG 132 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ib6 h ARG 132 CO -0.03 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3ib6 n ALA 133 N -2.11 2.56 -1.85 0.04 0.00 -0.73 -4.94 120.51 113.49 3ib6 n ALA 133 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 3ib6 n ALA 133 Cb 0.37 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3ib6 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib6 n GLY 134 N 1.14 0.33 3.40 0.00 0.00 -0.82 -4.91 105.19 104.34 3ib6 n GLY 134 Ca 0.18 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3ib6 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ib6 s ILE 135 N -2.14 2.71 0.95 -0.61 1.01 0.10 -4.29 121.20 118.92 3ib6 s ILE 135 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 3ib6 s ILE 135 Cb 0.00 -2.04 0.16 0.00 0.01 0.00 0.00 42.46 40.59 3ib6 s ILE 135 CO 0.00 0.58 1.12 -1.00 0.00 0.00 0.00 174.94 175.64 3ib6 s HIS 136 N -0.47 1.67 -0.01 3.97 3.76 -1.25 -3.64 115.29 119.31 3ib6 s HIS 136 Ca 0.06 1.65 -0.13 0.00 -0.15 0.00 0.00 55.06 56.49 3ib6 s HIS 136 Cb -0.12 -3.27 0.02 0.00 1.11 0.00 0.00 32.58 30.32 3ib6 s HIS 136 CO 0.01 -2.91 0.26 0.00 -0.85 0.00 0.00 174.74 171.25 3ib6 s ALA 137 N -2.65 -0.66 -0.08 -1.40 0.00 -0.66 -1.60 121.76 114.71 3ib6 s ALA 137 Ca 0.66 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3ib6 s ALA 137 Cb -0.23 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 3ib6 s ALA 137 CO 0.59 -0.24 -0.24 0.42 0.00 0.00 0.00 175.76 176.29 3ib6 s ILE 138 N -1.27 2.10 -0.20 0.00 1.01 0.44 -0.74 121.20 122.54 3ib6 s ILE 138 Ca -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.50 3ib6 s ILE 138 Cb -0.06 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3ib6 s ILE 138 CO 0.03 0.56 -0.17 0.86 0.00 0.00 0.00 174.94 176.23 3ib6 s TRP 139 N 0.13 2.88 0.12 3.97 -0.00 0.41 -2.44 118.94 124.01 3ib6 s TRP 139 Ca -0.12 -1.70 -0.30 0.00 -0.00 0.00 0.00 56.10 53.97 3ib6 s TRP 139 Cb -0.16 -1.94 -0.07 0.00 -0.00 0.00 0.00 33.47 31.30 3ib6 s TRP 139 CO 0.07 -0.80 1.20 -0.51 -0.00 0.00 0.00 176.95 176.91 3ib6 s LEU 140 N 1.27 4.41 -0.02 5.86 1.43 -0.71 -1.65 118.68 129.27 3ib6 s LEU 140 Ca 0.03 2.13 0.20 0.00 -1.03 0.00 0.00 54.13 55.45 3ib6 s LEU 140 Cb -0.14 -3.59 -0.29 0.00 0.03 0.00 0.00 46.19 42.19 3ib6 s LEU 140 CO -0.11 -0.42 0.50 0.00 0.23 0.00 0.00 176.35 176.55 3ib6 n GLN 141 N 3.22 0.61 -1.49 1.70 1.13 0.26 -4.25 117.38 118.56 3ib6 n GLN 141 Ca 0.07 -0.15 -0.64 0.00 -1.94 0.00 0.00 57.00 54.34 3ib6 n GLN 141 Cb 0.45 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 29.23 3ib6 n GLN 141 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3ib6 n ASN 142 N -2.07 0.99 0.00 1.08 2.85 0.24 -4.57 115.26 113.79 3ib6 n ASN 142 Ca -0.02 0.92 0.04 0.00 -0.11 0.00 0.00 54.58 55.40 3ib6 n ASN 142 Cb 0.48 -0.90 0.16 0.00 1.24 0.00 0.00 39.78 40.76 3ib6 n ASN 142 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3ib6 n PRO 143 N 5.84 0.00 0.26 1.20 -0.02 -1.26 -0.43 135.00 140.60 3ib6 n PRO 143 Ca 0.43 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 3ib6 n PRO 143 Cb -0.05 -1.51 0.67 0.00 -0.02 0.00 0.00 33.50 32.59 3ib6 n PRO 143 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ib6 h GLU 144 N 0.00 0.00 0.00 -0.52 5.08 -1.99 -3.37 114.58 113.78 3ib6 h GLU 144 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ib6 h GLU 144 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ib6 h GLU 144 CO 0.00 0.07 -0.42 1.33 -1.00 0.00 0.00 179.01 179.00 3ib6 n VAL 145 N -4.20 0.00 -1.91 3.13 0.24 0.18 -5.06 118.33 110.72 3ib6 n VAL 145 Ca -0.03 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.83 3ib6 n VAL 145 Cb 0.16 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 3ib6 n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ib6 s LEU 147 N 5.00 2.57 -0.18 0.00 1.43 -0.37 -4.85 118.68 122.28 3ib6 s LEU 147 Ca 0.80 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 3ib6 s LEU 147 Cb -0.33 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.40 3ib6 s LEU 147 CO 0.33 0.14 0.39 -1.58 0.23 0.00 0.00 176.35 175.86 3ib6 s GLN 148 N 0.48 0.31 -0.15 1.70 0.74 -1.26 -0.27 119.66 121.22 3ib6 s GLN 148 Ca -0.10 0.91 -0.21 0.00 0.05 0.00 0.00 55.36 56.01 3ib6 s GLN 148 Cb -0.16 0.17 -0.24 0.00 1.10 0.00 0.00 33.01 33.88 3ib6 s GLN 148 CO 0.05 -0.23 0.50 -0.44 -0.55 0.00 0.00 175.29 174.62 3ib6 h ASP 149 N 7.87 0.17 -4.88 6.67 3.32 -1.99 -3.49 116.42 124.08 3ib6 h ASP 149 Ca -0.22 -0.78 -0.21 0.00 0.02 0.00 0.00 57.03 55.85 3ib6 h ASP 149 Cb 1.13 -0.05 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 3ib6 h ASP 149 CO 0.18 1.43 -0.71 -0.70 -1.72 0.00 0.00 179.24 177.72 3ib6 s GLU 150 N -2.38 0.54 -1.50 3.56 2.12 -1.26 -5.05 118.70 114.73 3ib6 s GLU 150 Ca -0.22 -0.92 -0.10 0.00 0.36 0.00 0.00 54.97 54.09 3ib6 s GLU 150 Cb 0.03 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3ib6 s GLU 150 CO 0.69 -0.02 2.58 0.54 -0.54 0.00 0.00 175.26 178.51 3ib6 n ARG 151 N 0.95 3.67 -1.53 4.30 1.74 -1.26 -4.98 116.66 119.54 3ib6 n ARG 151 Ca -0.19 -2.66 -0.48 0.00 -0.77 0.00 0.00 57.85 53.76 3ib6 n ARG 151 Cb 0.57 -2.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.09 3ib6 n ARG 151 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ib6 n LEU 152 N 3.85 0.81 -4.78 0.55 4.77 -1.26 -4.92 117.00 116.02 3ib6 n LEU 152 Ca 0.66 1.15 -0.36 0.00 -0.03 0.00 0.00 56.01 57.43 3ib6 n LEU 152 Cb 0.28 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.20 3ib6 n LEU 152 CO 0.83 -1.82 0.78 -2.16 -1.33 0.00 0.00 177.39 173.70 3ib6 s PRO 153 N -0.96 3.68 0.26 3.23 0.04 -1.26 -5.04 135.00 134.95 3ib6 s PRO 153 Ca 0.66 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.35 3ib6 s PRO 153 Cb -0.84 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3ib6 s PRO 153 CO 0.56 -0.58 0.06 -0.51 0.04 0.00 0.00 177.00 176.57 3ib6 s LEU 154 N -3.31 1.94 0.30 -3.56 1.43 -1.26 -5.09 118.68 109.12 3ib6 s LEU 154 Ca 0.67 -1.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.53 3ib6 s LEU 154 Cb -0.24 -0.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.77 3ib6 s LEU 154 CO 0.29 -0.64 -0.13 0.68 0.23 0.00 0.00 176.35 176.78 3ib6 s VAL 155 N -3.55 2.20 -0.07 -1.59 -7.23 -1.26 -5.15 120.40 103.74 3ib6 s VAL 155 Ca 0.34 -2.27 -0.04 0.00 -1.81 0.00 0.00 61.98 58.20 3ib6 s VAL 155 Cb 0.07 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.62 3ib6 s VAL 155 CO 0.12 -0.33 0.16 0.00 -0.31 0.00 0.00 175.10 174.74 3ib6 s ALA 156 N -2.66 -0.33 0.85 1.32 0.00 -1.26 -4.28 121.76 115.40 3ib6 s ALA 156 Ca 0.30 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 3ib6 s ALA 156 Cb -0.01 -0.42 0.11 0.00 0.00 0.00 0.00 23.12 22.81 3ib6 s ALA 156 CO 0.14 -0.14 1.10 -1.25 0.00 0.00 0.00 175.76 175.62 3ib6 s PRO 157 N 0.87 1.57 0.80 0.00 0.04 -1.26 -5.03 135.00 131.98 3ib6 s PRO 157 Ca -0.07 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 3ib6 s PRO 157 Cb -0.08 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.71 3ib6 s PRO 157 CO -0.04 -2.14 1.09 -1.25 0.04 0.00 0.00 177.00 174.70 3ib6 s PRO 158 N -4.82 2.07 0.36 0.56 0.04 -1.26 -5.08 135.00 126.87 3ib6 s PRO 158 Ca 0.63 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 3ib6 s PRO 158 Cb -0.19 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ib6 s PRO 158 CO 0.57 -1.67 0.59 -0.06 0.04 0.00 0.00 177.00 176.47 3ib6 s PHE 159 N -3.06 3.51 -0.28 0.56 0.08 -1.26 -4.84 117.98 112.68 3ib6 s PHE 159 Ca 0.61 0.47 0.01 0.00 0.12 0.00 0.00 56.93 58.14 3ib6 s PHE 159 Cb -0.15 -1.99 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 3ib6 s PHE 159 CO 0.55 0.07 0.02 0.08 -0.10 0.00 0.00 175.22 175.84 3ib6 s VAL 160 N -2.34 1.50 -0.22 -0.44 1.01 -1.26 -1.65 120.40 117.00 3ib6 s VAL 160 Ca 0.42 -1.54 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 3ib6 s VAL 160 Cb -0.10 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3ib6 s VAL 160 CO 0.36 -0.40 0.23 -0.63 0.00 0.00 0.00 175.10 174.66 3ib6 s ILE 161 N 1.35 5.32 0.30 2.22 1.01 0.08 -4.93 121.20 126.54 3ib6 s ILE 161 Ca 0.03 0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.77 3ib6 s ILE 161 Cb -0.18 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 3ib6 s ILE 161 CO -0.12 0.34 0.91 -2.16 0.00 0.00 0.00 174.94 173.90 3ib6 s PRO 162 N 0.99 4.54 0.05 2.79 0.04 -1.26 -0.45 135.00 141.71 3ib6 s PRO 162 Ca 0.11 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 3ib6 s PRO 162 Cb -0.13 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3ib6 s PRO 162 CO 0.05 0.31 -0.02 0.14 0.04 0.00 0.00 177.00 177.52 3ib6 s VAL 163 N -1.57 0.21 -0.02 -0.36 -7.23 -0.66 -4.85 120.40 105.91 3ib6 s VAL 163 Ca 0.48 -1.71 -0.25 0.00 -1.81 0.00 0.00 61.98 58.69 3ib6 s VAL 163 Cb -0.19 -1.43 -0.18 0.00 0.56 0.00 0.00 36.38 35.14 3ib6 s VAL 163 CO 0.24 -0.95 1.17 -0.25 -0.31 0.00 0.00 175.10 175.00 3ib6 h TRP 164 N 3.22 -0.14 -2.17 2.82 2.91 -1.94 0.73 115.95 121.39 3ib6 h TRP 164 Ca -0.34 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.67 3ib6 h TRP 164 Cb 1.15 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 3ib6 h TRP 164 CO 0.53 0.29 0.04 -3.47 -1.03 0.00 0.00 178.44 174.80 3ib6 n ASP 165 N -4.94 -0.35 -0.29 2.65 -0.08 -1.26 -0.59 116.55 111.68 3ib6 n ASP 165 Ca -0.09 -1.25 0.12 0.00 -1.51 0.00 0.00 54.79 52.07 3ib6 n ASP 165 Cb 0.26 0.59 0.28 0.00 2.34 0.00 0.00 41.12 44.59 3ib6 n ASP 165 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3ib6 h LEU 166 N 0.00 0.01 0.00 -2.67 3.38 -1.91 -1.51 115.31 112.62 3ib6 h LEU 166 Ca -0.05 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ib6 h LEU 166 Cb 0.19 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ib6 h LEU 166 CO 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.45 3ib6 n ALA 167 N -2.69 1.87 0.94 1.53 0.00 -1.26 -1.42 120.51 119.48 3ib6 n ALA 167 Ca 0.21 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3ib6 n ALA 167 Cb 0.67 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.89 3ib6 n ALA 167 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ib6 n ASP 168 N -1.44 0.72 -0.24 0.00 8.00 -0.57 -4.52 116.55 118.51 3ib6 n ASP 168 Ca 0.06 -0.56 -0.05 0.00 0.71 0.00 0.00 54.79 54.94 3ib6 n ASP 168 Cb 0.19 0.65 0.05 0.00 -0.02 0.00 0.00 41.12 41.99 3ib6 n ASP 168 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ib6 h VAL 169 N 0.00 1.18 -0.41 2.53 2.07 -1.29 -2.81 116.25 117.51 3ib6 h VAL 169 Ca 0.00 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.27 3ib6 h VAL 169 Cb 0.53 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3ib6 h VAL 169 CO 0.00 0.17 0.01 -0.65 0.02 0.00 0.00 177.57 177.11 3ib6 h PRO 170 N 0.92 0.11 -0.83 1.57 0.11 -1.79 0.79 132.00 132.87 3ib6 h PRO 170 Ca 0.25 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.42 3ib6 h PRO 170 Cb -0.10 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 30.93 3ib6 h PRO 170 CO -0.05 0.07 0.54 0.93 -0.21 0.00 0.00 178.00 179.28 3ib6 h GLU 171 N 0.11 0.88 -0.45 1.05 3.07 -1.80 -0.14 114.58 117.30 3ib6 h GLU 171 Ca 0.20 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.90 3ib6 h GLU 171 Cb 0.29 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3ib6 h GLU 171 CO -0.34 0.58 -0.18 0.00 -1.40 0.00 0.00 179.01 177.68 3ib6 h ALA 172 N 1.55 0.83 -0.36 3.43 0.00 -1.22 -2.46 119.26 121.03 3ib6 h ALA 172 Ca 0.36 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ib6 h ALA 172 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ib6 h ALA 172 CO -0.13 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.64 3ib6 h LEU 173 N 0.77 0.57 -0.70 0.00 3.38 0.67 -2.45 115.31 117.54 3ib6 h LEU 173 Ca 0.11 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3ib6 h LEU 173 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ib6 h LEU 173 CO 0.05 0.67 -0.57 -0.07 0.09 0.00 0.00 178.44 178.62 3ib6 h LEU 174 N 0.56 0.28 -0.09 1.67 3.38 -0.91 0.31 115.31 120.50 3ib6 h LEU 174 Ca 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ib6 h LEU 174 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ib6 h LEU 174 CO 0.02 0.79 0.05 -0.07 0.09 0.00 0.00 178.44 179.32 3ib6 h LEU 175 N 0.19 0.12 -0.61 1.67 3.38 -1.23 -2.80 115.31 116.03 3ib6 h LEU 175 Ca -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ib6 h LEU 175 Cb 1.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3ib6 h LEU 175 CO 0.09 0.17 0.27 -0.07 0.09 0.00 0.00 178.44 178.99 3ib6 h LEU 176 N 0.06 0.82 0.12 1.67 3.38 -1.27 -2.65 115.31 117.43 3ib6 h LEU 176 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ib6 h LEU 176 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ib6 h LEU 176 CO -0.01 0.74 -0.12 0.50 0.09 0.00 0.00 178.44 179.65 3ib6 h LYS 177 N 0.84 -0.25 -0.38 1.13 3.64 -0.96 -0.20 116.57 120.40 3ib6 h LYS 177 Ca 0.21 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 3ib6 h LYS 177 Cb 0.16 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 3ib6 h LYS 177 CO -0.02 -0.16 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.62 3ib6 h LYS 178 N -0.26 -0.08 0.00 1.90 3.64 -1.39 -1.85 116.57 118.53 3ib6 h LYS 178 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ib6 h LYS 178 Cb 0.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ib6 h LYS 178 CO -0.03 -0.05 0.00 -0.84 -2.27 0.00 0.00 179.45 176.25 3ib6 h ILE 179 N -0.08 0.00 -0.02 2.00 3.07 -1.10 -3.52 117.51 117.86 3ib6 h ILE 179 Ca 0.19 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3ib6 h ILE 179 Cb 0.37 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 3ib6 h ILE 179 CO -0.43 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 175.47