#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 0.00 -4.91 1.96 -2.24 -0.17 -4.96 114.28 103.97 3ib6 n THR 3 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3ib6 n THR 3 Cb 0.00 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.94 1.84 -0.22 4.78 3.76 -0.70 -0.08 115.29 122.74 3ib6 s HIS 4 Ca 0.00 -0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 54.31 3ib6 s HIS 4 Cb 0.00 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 3ib6 s HIS 4 CO 0.00 -0.18 -0.00 0.08 -0.85 0.00 0.00 174.74 173.78 3ib6 s VAL 5 N 0.03 3.79 -0.31 -0.90 1.01 -0.02 -1.14 120.40 122.86 3ib6 s VAL 5 Ca -0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3ib6 s VAL 5 Cb -0.12 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3ib6 s VAL 5 CO 0.03 0.40 0.10 -0.63 0.00 0.00 0.00 175.10 175.00 3ib6 s ILE 6 N 1.36 4.08 -0.14 2.22 1.01 0.89 -0.62 121.20 130.00 3ib6 s ILE 6 Ca 0.04 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3ib6 s ILE 6 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3ib6 s ILE 6 CO 0.00 0.03 0.13 0.26 0.00 0.00 0.00 174.94 175.35 3ib6 s TRP 7 N 1.51 3.51 0.66 3.97 0.52 0.70 -0.78 118.94 129.03 3ib6 s TRP 7 Ca 0.02 0.44 -0.14 0.00 0.02 0.00 0.00 56.10 56.44 3ib6 s TRP 7 Cb -0.18 -1.98 -0.00 0.00 -1.15 0.00 0.00 33.47 30.16 3ib6 s TRP 7 CO 0.03 0.60 1.09 0.34 0.02 0.00 0.00 176.95 179.03 3ib6 s ASP 8 N -0.65 5.25 0.00 2.95 -1.08 -0.83 -1.37 116.67 120.94 3ib6 s ASP 8 Ca 0.13 1.90 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 3ib6 s ASP 8 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3ib6 s ASP 8 CO 0.02 -1.53 0.00 0.23 0.52 0.00 0.00 175.17 174.41 3ib6 n MET 9 N -2.48 0.00 -0.88 4.34 2.81 -1.26 -3.70 117.12 115.95 3ib6 n MET 9 Ca 0.10 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.58 3ib6 n MET 9 Cb 0.52 -0.04 -0.08 0.00 -0.71 0.00 0.00 33.22 32.92 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 2.81 -0.06 2.44 3.03 0.00 -1.25 -1.28 105.19 110.88 3ib6 n GLY 10 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 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 4.50 -0.94 0.05 1.61 1.02 0.30 -4.79 120.64 122.38 3ib6 n GLU 11 Ca 0.33 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 3ib6 n GLU 11 Cb -0.03 -4.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.56 0.75 0.05 2.62 -2.24 -0.41 -4.60 114.28 107.89 3ib6 n THR 12 Ca -0.05 0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3ib6 n THR 12 Cb 0.32 -1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 67.18 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 0.22 -7.99 3.22 3.38 -1.29 -3.45 115.31 109.40 3ib6 h LEU 13 Ca 0.00 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3ib6 h LEU 13 Cb 0.00 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.54 3ib6 h LEU 13 CO 0.00 1.24 -0.44 0.54 0.09 0.00 0.00 178.44 179.86 3ib6 s ASN 14 N -6.77 0.19 0.92 -0.43 4.22 -0.81 -1.22 114.94 111.04 3ib6 s ASN 14 Ca -0.05 -0.80 -0.14 0.00 -2.14 0.00 0.00 52.86 49.73 3ib6 s ASN 14 Cb 0.08 0.33 0.16 0.00 1.28 0.00 0.00 41.25 43.09 3ib6 s ASN 14 CO 0.84 -0.73 1.21 0.42 -2.04 0.00 0.00 177.10 176.80 3ib6 s THR 15 N -3.91 1.96 0.15 0.54 -4.23 0.23 0.11 115.64 110.50 3ib6 s THR 15 Ca 0.09 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 3ib6 s THR 15 Cb 0.05 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3ib6 s THR 15 CO -0.08 0.00 -0.21 0.54 -0.54 0.00 0.00 174.62 174.33 3ib6 s VAL 16 N -3.56 1.96 0.80 2.29 0.11 -1.26 -4.39 120.40 116.35 3ib6 s VAL 16 Ca 0.67 -1.84 -0.14 0.00 -2.93 0.00 0.00 61.98 57.74 3ib6 s VAL 16 Cb -0.09 -1.86 0.02 0.00 -1.53 0.00 0.00 36.38 32.92 3ib6 s VAL 16 CO 0.52 -0.16 0.73 -2.65 -3.33 0.00 0.00 175.10 170.20 3ib6 n PRO 17 N 0.54 0.14 0.07 1.54 -0.02 -1.26 -4.67 135.00 131.34 3ib6 n PRO 17 Ca -0.15 0.10 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 3ib6 n PRO 17 Cb 0.56 -2.04 0.45 0.00 -0.02 0.00 0.00 33.50 32.44 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 -0.81 0.34 0.81 2.55 2.35 -1.95 0.38 115.58 119.26 3ib6 h ASN 18 Ca -0.45 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3ib6 h ASN 18 Cb 1.32 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3ib6 h ASN 18 CO 0.42 0.30 -0.01 0.35 -1.65 0.00 0.00 177.43 176.84 3ib6 n THR 19 N -4.44 0.00 0.00 2.81 -2.24 -1.26 -4.95 114.28 104.20 3ib6 n THR 19 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3ib6 n THR 19 Cb 0.11 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.40 0.00 -1.73 -0.78 0.00 0.12 -4.89 116.66 107.98 3ib6 n ARG 20 Ca 0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.55 3ib6 n ARG 20 Cb 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 32.46 32.78 3ib6 n ARG 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3ib6 n TYR 21 N 0.00 2.35 -3.10 2.89 4.01 -1.26 -4.17 117.16 117.88 3ib6 n TYR 21 Ca 0.00 0.46 -0.45 0.00 -0.16 0.00 0.00 57.90 57.75 3ib6 n TYR 21 Cb 0.00 -2.40 -0.02 0.00 -0.31 0.00 0.00 39.34 36.61 3ib6 n TYR 21 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3ib6 s ASP 22 N -0.58 6.80 0.18 7.72 -4.77 -1.26 -4.82 116.67 119.93 3ib6 s ASP 22 Ca 0.63 -2.53 0.01 0.00 -3.30 0.00 0.00 52.55 47.36 3ib6 s ASP 22 Cb -0.47 -2.32 0.04 0.00 -1.09 0.00 0.00 42.92 39.08 3ib6 s ASP 22 CO 0.56 -0.79 1.41 0.45 0.70 0.00 0.00 175.17 177.51 3ib6 h HIS 23 N 8.06 0.39 -1.04 2.11 3.86 -1.96 -1.37 115.15 125.19 3ib6 h HIS 23 Ca 0.17 -0.19 -0.47 0.00 -1.16 0.00 0.00 60.37 58.71 3ib6 h HIS 23 Cb 0.99 -0.05 0.03 0.00 1.06 0.00 0.00 27.41 29.44 3ib6 h HIS 23 CO 1.08 0.97 -0.13 -1.01 0.86 0.00 0.00 177.93 179.69 3ib6 s HIS 24 N -3.40 1.79 0.27 2.45 3.76 -1.26 -4.71 115.29 114.20 3ib6 s HIS 24 Ca -0.04 -0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 53.96 3ib6 s HIS 24 Cb 0.10 -2.29 -0.10 0.00 1.11 0.00 0.00 32.58 31.40 3ib6 s HIS 24 CO 0.83 -0.99 1.46 -2.14 -0.85 0.00 0.00 174.74 173.05 3ib6 s PRO 25 N -4.61 4.24 0.48 8.40 0.02 -1.26 -4.59 135.00 137.68 3ib6 s PRO 25 Ca 0.60 2.36 0.23 0.00 0.02 0.00 0.00 61.00 64.21 3ib6 s PRO 25 Cb -0.07 -3.08 1.27 0.00 0.02 0.00 0.00 34.50 32.63 3ib6 s PRO 25 CO 0.38 -0.44 1.91 1.25 -0.33 0.00 0.00 177.00 179.76 3ib6 h LEU 26 N 4.78 0.19 -0.31 -5.54 5.85 -1.90 -1.18 115.31 117.19 3ib6 h LEU 26 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3ib6 h LEU 26 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ib6 h LEU 26 CO 0.76 0.09 0.00 -0.90 -0.34 0.00 0.00 178.44 178.05 3ib6 n ASP 27 N -4.40 0.38 -1.27 1.25 3.85 -1.26 -3.08 116.55 112.02 3ib6 n ASP 27 Ca 0.16 0.58 0.07 0.00 -0.71 0.00 0.00 54.79 54.89 3ib6 n ASP 27 Cb 0.72 -0.67 0.27 0.00 -1.35 0.00 0.00 41.12 40.09 3ib6 n ASP 27 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3ib6 n THR 28 N -1.91 1.39 -3.74 2.12 -2.24 -0.45 -4.81 114.28 104.65 3ib6 n THR 28 Ca 0.03 -0.88 -0.38 0.00 -2.27 0.00 0.00 64.05 60.56 3ib6 n THR 28 Cb 0.24 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 3ib6 n THR 28 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ib6 s TYR 29 N -1.80 3.27 0.14 4.78 1.51 -1.18 -4.97 117.35 119.11 3ib6 s TYR 29 Ca 0.38 -1.43 0.29 0.00 -1.01 0.00 0.00 57.07 55.30 3ib6 s TYR 29 Cb 0.25 -2.34 1.18 0.00 -0.11 0.00 0.00 41.96 40.93 3ib6 s TYR 29 CO 0.18 -0.74 1.92 -1.00 -1.11 0.00 0.00 175.55 174.80 3ib6 h PRO 30 N 8.23 0.00 0.00 -1.71 0.13 -1.91 -2.24 132.00 134.50 3ib6 h PRO 30 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3ib6 h PRO 30 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ib6 h PRO 30 CO 0.61 0.11 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 3ib6 h GLU 31 N 0.00 0.00 -5.91 0.86 9.09 -1.93 -3.41 114.58 113.28 3ib6 h GLU 31 Ca -0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 3ib6 h GLU 31 Cb 0.60 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.58 3ib6 h GLU 31 CO 0.01 0.00 0.43 0.08 0.05 0.00 0.00 179.01 179.59 3ib6 s VAL 32 N -3.41 4.60 0.02 -1.06 1.01 -0.85 -4.66 120.40 116.05 3ib6 s VAL 32 Ca 0.02 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 3ib6 s VAL 32 Cb 0.09 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3ib6 s VAL 32 CO 0.36 -0.74 0.07 -0.69 0.00 0.00 0.00 175.10 174.11 3ib6 s VAL 33 N 3.43 0.11 0.28 2.92 1.01 -1.26 -4.93 120.40 121.96 3ib6 s VAL 33 Ca 0.32 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3ib6 s VAL 33 Cb -0.11 -0.56 -0.14 0.00 0.00 0.00 0.00 36.38 35.57 3ib6 s VAL 33 CO 0.23 -0.50 1.19 0.18 0.00 0.00 0.00 175.10 176.20 3ib6 n LEU 34 N 1.24 2.52 -4.90 3.92 4.32 -1.26 -0.60 117.00 122.24 3ib6 n LEU 34 Ca -0.22 1.18 -0.28 0.00 -0.02 0.00 0.00 56.01 56.67 3ib6 n LEU 34 Cb 0.56 -1.36 -0.01 0.00 -1.62 0.00 0.00 43.42 40.99 3ib6 n LEU 34 CO 0.21 -0.95 0.40 -0.13 -1.22 0.00 0.00 177.39 175.71 3ib6 s ARG 35 N -1.28 3.58 -0.19 3.23 0.52 -0.36 -4.79 118.95 119.67 3ib6 s ARG 35 Ca 0.61 0.18 -0.40 0.00 -0.52 0.00 0.00 55.73 55.60 3ib6 s ARG 35 Cb -0.67 -2.43 -0.16 0.00 0.52 0.00 0.00 34.95 32.21 3ib6 s ARG 35 CO 0.58 -0.11 1.60 1.17 0.02 0.00 0.00 175.30 178.55 3ib6 n LYS 36 N -1.96 1.01 -0.99 3.54 4.81 -1.26 -1.99 118.16 121.33 3ib6 n LYS 36 Ca 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3ib6 n LYS 36 Cb 0.55 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 4.35 -2.37 0.23 3.14 5.03 -1.26 -4.80 115.26 119.59 3ib6 n ASN 37 Ca 0.24 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.59 3ib6 n ASN 37 Cb 0.13 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.25 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 -1.10 -0.94 5.41 0.00 -1.71 0.45 119.26 121.38 3ib6 h ALA 38 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3ib6 h ALA 38 Cb 0.06 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 3ib6 h ALA 38 CO 0.00 -1.08 -0.40 0.87 0.00 0.00 0.00 179.25 178.64 3ib6 h LYS 39 N -0.66 -0.03 -0.61 0.00 1.57 -1.92 0.12 116.57 115.04 3ib6 h LYS 39 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ib6 h LYS 39 Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3ib6 h LYS 39 CO 0.05 -0.02 0.33 0.93 -0.57 0.00 0.00 179.45 180.18 3ib6 h GLU 40 N -0.03 0.86 -0.16 3.15 3.07 -1.89 -1.30 114.58 118.28 3ib6 h GLU 40 Ca 0.31 -0.10 -0.19 0.00 -0.50 0.00 0.00 59.36 58.89 3ib6 h GLU 40 Cb 0.58 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3ib6 h GLU 40 CO -0.94 0.65 -0.66 1.15 -1.40 0.00 0.00 179.01 177.81 3ib6 h THR 41 N 0.83 1.32 -0.56 1.13 2.02 0.12 -1.76 112.91 116.02 3ib6 h THR 41 Ca 0.22 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 3ib6 h THR 41 Cb 0.05 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3ib6 h THR 41 CO -0.03 0.60 0.33 -0.07 0.37 0.00 0.00 175.52 176.72 3ib6 h LEU 42 N 0.44 0.66 -0.44 2.58 3.38 -0.58 -2.26 115.31 119.09 3ib6 h LEU 42 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3ib6 h LEU 42 Cb 1.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3ib6 h LEU 42 CO 0.13 0.52 -0.04 -0.08 0.09 0.00 0.00 178.44 179.05 3ib6 h GLU 43 N 0.77 0.81 -0.21 1.13 4.57 -0.37 -2.15 114.58 119.12 3ib6 h GLU 43 Ca 0.20 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3ib6 h GLU 43 Cb -0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3ib6 h GLU 43 CO -0.04 0.90 0.03 0.87 -1.18 0.00 0.00 179.01 179.58 3ib6 h LYS 44 N 0.65 0.36 -0.99 1.92 1.57 -1.26 -1.42 116.57 117.40 3ib6 h LYS 44 Ca 0.12 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3ib6 h LYS 44 Cb 0.56 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3ib6 h LYS 44 CO 0.03 0.52 0.64 0.28 -0.57 0.00 0.00 179.45 180.35 3ib6 h VAL 45 N 0.15 1.08 -0.34 0.50 2.07 -1.35 0.46 116.25 118.82 3ib6 h VAL 45 Ca 0.06 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3ib6 h VAL 45 Cb 0.34 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3ib6 h VAL 45 CO 0.01 0.21 -0.01 0.50 0.02 0.00 0.00 177.57 178.29 3ib6 h LYS 46 N 1.14 0.52 0.00 1.57 3.64 -1.14 -2.65 116.57 119.66 3ib6 h LYS 46 Ca 0.43 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.54 3ib6 h LYS 46 Cb 0.19 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3ib6 h LYS 46 CO -0.17 0.56 -0.77 0.37 -2.27 0.00 0.00 179.45 177.17 3ib6 h GLN 47 N 0.50 0.00 0.00 1.90 5.75 0.19 -2.62 115.11 120.83 3ib6 h GLN 47 Ca 0.11 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3ib6 h GLN 47 Cb 0.34 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 3ib6 h GLN 47 CO 0.01 0.70 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.82 3ib6 h LEU 48 N 0.00 0.00 0.00 -2.39 3.38 0.08 -3.47 115.31 112.92 3ib6 h LEU 48 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ib6 h LEU 48 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3ib6 h LEU 48 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3ib6 n GLY 49 N -0.18 1.08 3.80 0.83 0.00 -0.99 -5.09 105.19 104.64 3ib6 n GLY 49 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.43 0.45 1.61 0.40 -1.03 -5.02 117.98 115.82 3ib6 s PHE 50 Ca 0.00 1.68 -0.06 0.00 -0.60 0.00 0.00 56.93 57.95 3ib6 s PHE 50 Cb 0.00 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 3ib6 s PHE 50 CO 0.00 -0.10 0.76 0.15 0.70 0.00 0.00 175.22 176.73 3ib6 s LYS 51 N -2.68 3.59 0.04 0.44 -0.14 0.89 -4.45 119.74 117.43 3ib6 s LYS 51 Ca 0.57 0.22 0.04 0.00 -1.36 0.00 0.00 55.97 55.44 3ib6 s LYS 51 Cb -0.15 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 3ib6 s LYS 51 CO 0.19 -0.13 -0.12 -0.65 -0.76 0.00 0.00 175.35 173.88 3ib6 s GLN 52 N -4.48 0.78 0.10 1.68 -0.21 -1.26 -0.84 119.66 115.42 3ib6 s GLN 52 Ca 0.48 -0.70 -0.02 0.00 0.02 0.00 0.00 55.36 55.13 3ib6 s GLN 52 Cb -0.10 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 3ib6 s GLN 52 CO 0.41 0.18 0.04 0.00 -2.12 0.00 0.00 175.29 173.80 3ib6 s ALA 53 N -0.91 0.62 -0.15 6.09 0.00 0.21 -1.11 121.76 126.52 3ib6 s ALA 53 Ca -0.01 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.67 3ib6 s ALA 53 Cb -0.08 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3ib6 s ALA 53 CO 0.01 -0.45 -0.18 0.42 0.00 0.00 0.00 175.76 175.56 3ib6 s ILE 54 N -3.98 2.38 -0.19 0.00 -1.09 -0.13 -0.22 121.20 117.97 3ib6 s ILE 54 Ca 0.16 -0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 57.69 3ib6 s ILE 54 Cb 0.07 -1.98 0.06 0.00 -1.58 0.00 0.00 42.46 39.03 3ib6 s ILE 54 CO -0.04 0.53 0.04 -0.22 -1.23 0.00 0.00 174.94 174.02 3ib6 s LEU 55 N 0.84 1.14 -0.03 2.97 2.96 -0.47 -1.41 118.68 124.68 3ib6 s LEU 55 Ca -0.05 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 3ib6 s LEU 55 Cb -0.15 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 45.97 3ib6 s LEU 55 CO -0.01 -0.30 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.10 3ib6 s SER 56 N 1.87 1.01 0.20 3.68 0.15 -0.81 -4.16 113.70 115.62 3ib6 s SER 56 Ca -0.01 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 3ib6 s SER 56 Cb -0.17 -0.37 -0.08 0.00 -1.71 0.00 0.00 66.02 63.69 3ib6 s SER 56 CO -0.08 0.01 0.94 0.20 1.20 0.00 0.00 173.24 175.51 3ib6 s ASN 57 N 0.52 7.59 0.23 5.45 0.01 -1.26 -1.81 114.94 125.67 3ib6 s ASN 57 Ca -0.07 1.89 0.01 0.00 -0.71 0.00 0.00 52.86 53.97 3ib6 s ASN 57 Cb -0.11 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3ib6 s ASN 57 CO 0.00 0.09 0.15 0.42 -1.51 0.00 0.00 177.10 176.26 3ib6 s THR 58 N -0.80 0.08 0.00 1.60 -4.23 -1.26 -4.82 115.64 106.20 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 -0.25 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3ib6 s THR 58 CO 0.31 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.39 3ib6 n ALA 59 N -0.37 0.00 0.92 3.99 0.00 -1.26 -1.08 120.51 122.71 3ib6 n ALA 59 Ca 0.03 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3ib6 n ALA 59 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 3ib6 n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ib6 n THR 60 N -1.36 0.02 -3.07 0.00 -2.24 -0.52 -3.49 114.28 103.61 3ib6 n THR 60 Ca 0.00 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3ib6 n THR 60 Cb 0.00 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3ib6 n THR 60 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ib6 s SER 61 N -3.15 6.60 0.89 3.42 0.01 -1.26 -4.89 113.70 115.32 3ib6 s SER 61 Ca 0.08 0.70 -0.10 0.00 1.31 0.00 0.00 55.95 57.94 3ib6 s SER 61 Cb 0.16 -2.35 0.18 0.00 0.21 0.00 0.00 66.02 64.22 3ib6 s SER 61 CO 0.82 -0.43 1.12 -0.90 0.41 0.00 0.00 173.24 174.26 3ib6 n ASP 62 N 5.82 0.53 -0.32 2.44 5.75 -1.26 -4.02 116.55 125.48 3ib6 n ASP 62 Ca 0.00 -1.68 0.01 0.00 -0.01 0.00 0.00 54.79 53.11 3ib6 n ASP 62 Cb 0.49 -0.82 0.14 0.00 -1.03 0.00 0.00 41.12 39.90 3ib6 n ASP 62 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3ib6 h THR 63 N -1.30 1.07 -0.92 2.12 2.02 -1.95 -2.25 112.91 111.70 3ib6 h THR 63 Ca -0.37 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3ib6 h THR 63 Cb 1.12 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3ib6 h THR 63 CO 0.30 0.19 0.53 -0.33 0.37 0.00 0.00 175.52 176.58 3ib6 h GLU 64 N 1.03 1.27 0.35 6.66 4.39 -1.97 0.26 114.58 126.58 3ib6 h GLU 64 Ca 0.38 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 3ib6 h GLU 64 Cb 0.15 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3ib6 h GLU 64 CO -0.17 0.91 -0.29 0.28 -1.16 0.00 0.00 179.01 178.58 3ib6 h VAL 65 N 1.28 0.40 -0.31 3.13 2.07 -1.77 0.70 116.25 121.75 3ib6 h VAL 65 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 3ib6 h VAL 65 Cb -0.01 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3ib6 h VAL 65 CO -0.06 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.12 3ib6 h ILE 66 N -0.65 1.09 -0.85 4.57 5.03 -1.23 0.13 117.51 125.60 3ib6 h ILE 66 Ca -0.03 -0.19 0.01 0.00 -0.12 0.00 0.00 64.86 64.53 3ib6 h ILE 66 Cb 0.57 0.65 -0.04 0.00 -3.03 0.00 0.00 36.82 34.97 3ib6 h ILE 66 CO -0.02 0.09 0.56 0.11 -0.68 0.00 0.00 178.15 178.21 3ib6 h LYS 67 N 0.42 1.13 -0.39 2.37 1.57 -0.10 0.24 116.57 121.80 3ib6 h LYS 67 Ca 0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3ib6 h LYS 67 Cb -0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3ib6 h LYS 67 CO -0.02 0.75 0.13 -0.09 -0.57 0.00 0.00 179.45 179.65 3ib6 h ARG 68 N 1.16 0.61 -0.44 3.15 2.43 0.11 -1.16 114.38 120.24 3ib6 h ARG 68 Ca 0.31 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3ib6 h ARG 68 Cb -0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3ib6 h ARG 68 CO -0.07 0.61 0.20 0.28 -1.51 0.00 0.00 179.97 179.48 3ib6 h VAL 69 N 0.49 1.19 -0.18 0.20 2.07 -0.55 -1.23 116.25 118.24 3ib6 h VAL 69 Ca 0.13 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3ib6 h VAL 69 Cb 0.25 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ib6 h VAL 69 CO -0.01 0.21 -0.12 -0.07 0.02 0.00 0.00 177.57 177.60 3ib6 h LEU 70 N 0.57 0.27 -0.19 2.57 3.38 -0.34 -0.38 115.31 121.18 3ib6 h LEU 70 Ca 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3ib6 h LEU 70 Cb 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ib6 h LEU 70 CO -0.02 0.42 -0.02 0.74 0.09 0.00 0.00 178.44 179.65 3ib6 h THR 71 N 0.27 1.27 -0.69 0.22 2.02 -0.88 -1.41 112.91 113.71 3ib6 h THR 71 Ca 0.05 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3ib6 h THR 71 Cb 0.38 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 3ib6 h THR 71 CO 0.02 0.29 0.24 0.78 0.37 0.00 0.00 175.52 177.22 3ib6 h ASN 72 N 0.09 0.96 0.11 4.18 -0.26 -0.66 0.13 115.58 120.13 3ib6 h ASN 72 Ca 0.05 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3ib6 h ASN 72 Cb 0.44 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3ib6 h ASN 72 CO 0.01 0.88 -0.03 -0.26 -1.06 0.00 0.00 177.43 176.98 3ib6 h PHE 73 N 1.01 0.00 -1.62 1.19 0.04 -1.06 -3.47 116.94 113.03 3ib6 h PHE 73 Ca 0.23 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 3ib6 h PHE 73 Cb 0.25 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.42 3ib6 h PHE 73 CO 0.02 0.03 -0.11 0.41 -0.60 0.00 0.00 178.31 178.06 3ib6 n GLY 74 N -1.11 0.64 0.00 -1.45 0.00 0.44 -4.97 105.19 98.74 3ib6 n GLY 74 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.07 0.00 -0.30 -0.61 -5.35 -0.60 -4.88 119.36 104.55 3ib6 n ILE 75 Ca -0.00 -0.07 0.24 0.00 -0.27 0.00 0.00 62.75 62.64 3ib6 n ILE 75 Cb 0.51 1.67 0.55 0.00 -1.74 0.00 0.00 39.64 40.64 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 0.67 0.54 0.00 7.28 2.10 -1.79 -1.46 117.51 124.85 3ib6 h ILE 76 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 3ib6 h ILE 76 Cb 0.34 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3ib6 h ILE 76 CO 0.00 0.06 0.00 0.47 -1.08 0.00 0.00 178.15 177.60 3ib6 n ASP 77 N -4.53 0.10 0.22 2.19 9.92 -1.26 -2.18 116.55 121.01 3ib6 n ASP 77 Ca 0.24 0.53 0.10 0.00 -0.53 0.00 0.00 54.79 55.13 3ib6 n ASP 77 Cb 0.90 -0.55 0.46 0.00 -0.64 0.00 0.00 41.12 41.29 3ib6 n ASP 77 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 3ib6 h TYR 78 N 0.00 0.00 -3.25 1.24 -1.99 -1.66 -3.46 116.97 107.85 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 0.21 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 38.77 3ib6 h TYR 78 CO 0.00 0.23 -0.59 -0.06 -0.00 0.00 0.00 178.16 177.74 3ib6 s PHE 79 N -3.66 3.21 -0.69 4.88 0.08 -0.93 -4.24 117.98 116.64 3ib6 s PHE 79 Ca 0.00 0.06 0.23 0.00 0.12 0.00 0.00 56.93 57.35 3ib6 s PHE 79 Cb 0.10 -1.98 0.18 0.00 -0.57 0.00 0.00 43.02 40.75 3ib6 s PHE 79 CO 0.64 0.23 1.15 -0.25 -0.10 0.00 0.00 175.22 176.88 3ib6 n ASP 80 N 3.12 0.63 -3.72 1.36 8.00 -0.26 -4.90 116.55 120.78 3ib6 n ASP 80 Ca -0.17 -0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.03 3ib6 n ASP 80 Cb 0.53 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 42.09 3ib6 n ASP 80 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ib6 s PHE 81 N -3.15 -0.50 -0.05 1.24 5.36 -1.25 -5.04 117.98 114.59 3ib6 s PHE 81 Ca 0.06 1.18 -0.02 0.00 -0.96 0.00 0.00 56.93 57.19 3ib6 s PHE 81 Cb 0.15 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 43.05 3ib6 s PHE 81 CO 0.77 -0.25 0.09 0.42 -1.46 0.00 0.00 175.22 174.79 3ib6 s ILE 82 N 0.48 -0.09 -0.15 3.12 1.01 -1.26 -0.96 121.20 123.35 3ib6 s ILE 82 Ca -0.02 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 3ib6 s ILE 82 Cb -0.04 -0.17 0.05 0.00 0.01 0.00 0.00 42.46 42.31 3ib6 s ILE 82 CO -0.02 0.11 0.38 -0.47 0.00 0.00 0.00 174.94 174.93 3ib6 s TYR 83 N 1.43 -0.50 -0.15 3.97 5.04 -0.50 -4.99 117.35 121.65 3ib6 s TYR 83 Ca -0.05 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.71 3ib6 s TYR 83 Cb -0.12 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.38 3ib6 s TYR 83 CO -0.04 -0.27 -0.15 0.00 -1.34 0.00 0.00 175.55 173.74 3ib6 s ALA 84 N 0.90 2.52 0.30 3.97 0.00 -1.26 -1.93 121.76 126.26 3ib6 s ALA 84 Ca -0.06 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3ib6 s ALA 84 Cb -0.06 -1.21 0.47 0.00 0.00 0.00 0.00 23.12 22.31 3ib6 s ALA 84 CO -0.07 0.05 1.74 0.66 0.00 0.00 0.00 175.76 178.14 3ib6 h SER 85 N 7.14 0.41 -6.18 0.00 4.64 -1.63 -3.38 113.55 114.55 3ib6 h SER 85 Ca -0.30 -0.14 -0.43 0.00 -0.47 0.00 0.00 61.79 60.45 3ib6 h SER 85 Cb 1.20 -0.11 0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3ib6 h SER 85 CO 0.56 0.67 -0.86 -3.20 -0.87 0.00 0.00 176.83 173.12 3ib6 n ASN 86 N -4.12 -1.85 0.00 4.97 4.05 -1.22 -4.77 115.26 112.32 3ib6 n ASN 86 Ca -0.01 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 54.13 3ib6 n ASN 86 Cb 0.40 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.65 3ib6 n ASN 86 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3ib6 n SER 87 N -2.99 0.00 -0.04 1.20 3.41 -0.44 -4.90 113.62 109.86 3ib6 n SER 87 Ca -0.26 -0.26 -0.14 0.00 -0.26 0.00 0.00 58.87 57.95 3ib6 n SER 87 Cb 0.66 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.52 3ib6 n SER 87 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ib6 h GLU 88 N 0.00 -0.51 -1.01 4.33 3.07 -1.30 -2.73 114.58 116.44 3ib6 h GLU 88 Ca 0.00 0.03 -0.63 0.00 -0.50 0.00 0.00 59.36 58.27 3ib6 h GLU 88 Cb 0.13 0.11 -0.36 0.00 -0.84 0.00 0.00 28.75 27.80 3ib6 h GLU 88 CO 0.00 -0.34 0.08 1.28 -1.40 0.00 0.00 179.01 178.63 3ib6 n LEU 89 N -5.42 6.34 -3.69 1.33 4.77 -1.26 -4.86 117.00 114.20 3ib6 n LEU 89 Ca -0.05 -4.59 -0.29 0.00 -0.03 0.00 0.00 56.01 51.05 3ib6 n LEU 89 Cb 0.37 -0.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3ib6 n LEU 89 CO 0.07 1.81 -0.34 -1.10 -1.33 0.00 0.00 177.39 176.50 3ib6 s GLN 90 N -3.73 0.58 -0.01 3.23 -0.21 -1.03 -5.10 119.66 113.38 3ib6 s GLN 90 Ca 0.57 -0.74 -0.33 0.00 0.02 0.00 0.00 55.36 54.88 3ib6 s GLN 90 Cb 0.46 -1.85 -0.11 0.00 1.00 0.00 0.00 33.01 32.51 3ib6 s GLN 90 CO -0.03 -0.88 1.86 -2.30 -2.12 0.00 0.00 175.29 171.82 3ib6 n PRO 91 N 5.00 2.38 0.00 2.91 -0.02 -1.26 -2.65 135.00 141.36 3ib6 n PRO 91 Ca -0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3ib6 n PRO 91 Cb 0.44 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3ib6 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib6 n GLY 92 N 4.30 2.18 3.91 -1.23 0.00 -1.26 -5.10 105.19 108.00 3ib6 n GLY 92 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3ib6 n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ib6 s LYS 93 N -0.34 3.56 0.04 1.61 2.20 -1.09 -5.02 119.74 120.71 3ib6 s LYS 93 Ca 0.00 -0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 3ib6 s LYS 93 Cb 0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 3ib6 s LYS 93 CO 0.00 0.45 1.16 1.41 -0.36 0.00 0.00 175.35 178.00 3ib6 s MET 94 N -2.93 4.45 0.20 4.03 -2.45 -1.26 -4.92 119.30 116.42 3ib6 s MET 94 Ca 0.40 1.70 -0.13 0.00 -1.25 0.00 0.00 55.69 56.40 3ib6 s MET 94 Cb -0.12 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.59 3ib6 s MET 94 CO 0.27 -0.23 0.43 -1.83 1.05 0.00 0.00 175.02 174.70 3ib6 s GLU 95 N 1.13 1.34 0.39 4.11 -1.05 -1.26 -4.76 118.70 118.60 3ib6 s GLU 95 Ca 0.57 -1.07 -0.27 0.00 -0.15 0.00 0.00 54.97 54.05 3ib6 s GLU 95 Cb -0.28 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 3ib6 s GLU 95 CO 0.28 -0.54 1.35 0.15 0.95 0.00 0.00 175.26 177.45 3ib6 s LYS 96 N -3.94 4.05 -0.10 -4.83 1.02 -1.26 -0.27 119.74 114.41 3ib6 s LYS 96 Ca 0.15 2.27 0.11 0.00 0.02 0.00 0.00 55.97 58.52 3ib6 s LYS 96 Cb 0.01 -2.86 0.48 0.00 -0.52 0.00 0.00 37.83 34.94 3ib6 s LYS 96 CO 0.01 -0.46 1.30 -0.35 -0.92 0.00 0.00 175.35 174.93 3ib6 n PRO 97 N 0.31 2.98 -1.65 -1.68 -0.04 -1.26 -4.84 135.00 128.83 3ib6 n PRO 97 Ca 0.02 -1.87 -0.47 0.00 -0.04 0.00 0.00 63.50 61.14 3ib6 n PRO 97 Cb 0.42 -1.77 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.55 2.61 -0.29 3.54 10.43 0.63 -4.52 116.55 129.49 3ib6 n ASP 98 Ca 0.17 1.10 0.08 0.00 2.57 0.00 0.00 54.79 58.71 3ib6 n ASP 98 Cb 0.69 -1.36 0.23 0.00 1.84 0.00 0.00 41.12 42.52 3ib6 n ASP 98 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 3ib6 h LYS 99 N 5.17 0.54 -0.99 -1.24 5.09 -1.90 -1.78 116.57 121.46 3ib6 h LYS 99 Ca -0.45 -0.03 0.28 0.00 0.09 0.00 0.00 60.65 60.53 3ib6 h LYS 99 Cb 1.28 -0.12 -0.18 0.00 0.10 0.00 0.00 32.23 33.30 3ib6 h LYS 99 CO 0.83 0.36 0.05 1.15 -2.09 0.00 0.00 179.45 179.75 3ib6 h THR 100 N 0.56 0.01 0.00 0.07 2.02 -1.93 -0.86 112.91 112.80 3ib6 h THR 100 Ca 0.47 -0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.46 3ib6 h THR 100 Cb 0.70 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3ib6 h THR 100 CO -0.39 0.00 -0.88 -0.29 0.37 0.00 0.00 175.52 174.33 3ib6 h ILE 101 N 0.01 1.60 -0.09 3.11 2.10 -1.61 -2.07 117.51 120.56 3ib6 h ILE 101 Ca 0.62 -2.93 -0.18 0.00 1.08 0.00 0.00 64.86 63.44 3ib6 h ILE 101 Cb 1.29 2.60 0.01 0.00 -1.09 0.00 0.00 36.82 39.63 3ib6 h ILE 101 CO -0.92 0.84 -0.66 -0.26 -1.08 0.00 0.00 178.15 176.06 3ib6 h PHE 102 N 0.02 0.84 -0.06 2.19 -1.00 -1.26 -1.32 116.94 116.35 3ib6 h PHE 102 Ca -0.02 -0.39 -0.10 0.00 2.81 0.00 0.00 57.97 60.27 3ib6 h PHE 102 Cb 1.55 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 3ib6 h PHE 102 CO 0.01 1.20 -0.44 -0.44 -1.61 0.00 0.00 178.31 177.03 3ib6 h ASP 103 N 0.25 0.14 -0.33 2.17 3.32 -1.25 -0.60 116.42 120.12 3ib6 h ASP 103 Ca -0.06 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3ib6 h ASP 103 Cb 1.32 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3ib6 h ASP 103 CO 0.14 0.56 -0.02 0.15 -1.72 0.00 0.00 179.24 178.35 3ib6 h PHE 104 N 0.11 0.65 0.18 4.55 3.57 -1.33 -1.30 116.94 123.37 3ib6 h PHE 104 Ca 0.01 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3ib6 h PHE 104 Cb 0.82 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 3ib6 h PHE 104 CO 0.01 0.72 -0.10 1.15 -2.23 0.00 0.00 178.31 177.86 3ib6 h THR 105 N 0.38 0.78 -0.67 4.41 2.02 -0.97 -2.18 112.91 116.69 3ib6 h THR 105 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3ib6 h THR 105 Cb 0.48 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3ib6 h THR 105 CO 0.02 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.26 3ib6 h LEU 106 N -0.27 0.78 -1.27 2.58 3.38 -1.07 -1.68 115.31 117.76 3ib6 h LEU 106 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ib6 h LEU 106 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3ib6 h LEU 106 CO 0.03 0.59 0.20 0.78 0.09 0.00 0.00 178.44 180.12 3ib6 h ASN 107 N 0.90 0.64 0.46 -0.43 2.35 -1.23 0.26 115.58 118.53 3ib6 h ASN 107 Ca 0.24 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 3ib6 h ASN 107 Cb -0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3ib6 h ASN 107 CO -0.05 0.57 -0.59 0.00 -1.65 0.00 0.00 177.43 175.72 3ib6 h ALA 108 N 1.52 0.94 -0.00 -0.83 0.00 -0.76 -2.48 119.26 117.66 3ib6 h ALA 108 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ib6 h ALA 108 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ib6 h ALA 108 CO -0.02 0.73 -0.16 1.28 0.00 0.00 0.00 179.25 181.08 3ib6 n LEU 109 N -3.86 0.34 -3.87 0.00 4.77 -0.69 -4.97 117.00 108.72 3ib6 n LEU 109 Ca -0.02 0.15 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 3ib6 n LEU 109 Cb 0.60 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3ib6 n LEU 109 CO 0.43 0.07 -0.18 0.00 -1.33 0.00 0.00 177.39 176.38 3ib6 n GLN 110 N -1.22 -3.17 -4.33 3.23 6.02 0.04 -5.00 117.38 112.96 3ib6 n GLN 110 Ca 0.11 0.44 -0.17 0.00 -0.01 0.00 0.00 57.00 57.37 3ib6 n GLN 110 Cb 0.30 -4.54 -0.10 0.00 1.02 0.00 0.00 30.24 26.92 3ib6 n GLN 110 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3ib6 s ILE 111 N -3.83 0.65 0.26 5.09 -4.36 -0.95 -5.05 121.20 113.01 3ib6 s ILE 111 Ca 0.09 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.42 3ib6 s ILE 111 Cb -0.03 -2.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.01 3ib6 s ILE 111 CO 0.87 -0.04 0.53 -0.62 0.24 0.00 0.00 174.94 175.93 3ib6 s ASP 112 N -3.32 6.48 0.47 4.36 -1.08 -1.26 -4.52 116.67 117.80 3ib6 s ASP 112 Ca 0.37 0.73 0.30 0.00 -0.52 0.00 0.00 52.55 53.43 3ib6 s ASP 112 Cb 0.08 -2.15 1.38 0.00 -1.46 0.00 0.00 42.92 40.77 3ib6 s ASP 112 CO 0.13 -0.15 1.74 0.07 0.52 0.00 0.00 175.17 177.49 3ib6 h LYS 113 N 1.95 0.15 0.00 4.34 2.10 -1.89 0.40 116.57 123.61 3ib6 h LYS 113 Ca -0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3ib6 h LYS 113 Cb 1.18 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3ib6 h LYS 113 CO 0.67 0.10 0.00 0.25 -2.00 0.00 0.00 179.45 178.47 3ib6 n THR 114 N -4.42 0.69 1.02 0.07 -2.24 -1.26 -3.35 114.28 104.80 3ib6 n THR 114 Ca 0.29 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 3ib6 n THR 114 Cb 1.21 -0.87 0.12 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.69 2.29 -4.54 -0.78 1.02 0.13 -4.54 120.64 112.54 3ib6 n GLU 115 Ca 0.04 -1.88 -0.26 0.00 -0.02 0.00 0.00 57.16 55.05 3ib6 n GLU 115 Cb 0.24 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.00 2.92 -0.05 0.62 0.00 -1.21 -1.00 121.76 121.04 3ib6 s ALA 116 Ca 0.28 -2.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 3ib6 s ALA 116 Cb 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3ib6 s ALA 116 CO 0.30 0.08 0.12 0.54 0.00 0.00 0.00 175.76 176.80 3ib6 s VAL 117 N -2.63 -0.04 -0.16 0.00 0.11 -0.30 -3.85 120.40 113.54 3ib6 s VAL 117 Ca 0.32 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 3ib6 s VAL 117 Cb 0.02 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 3ib6 s VAL 117 CO 0.16 0.06 0.45 -0.32 -3.33 0.00 0.00 175.10 172.11 3ib6 s MET 118 N 0.85 4.26 -0.15 1.54 1.75 -0.55 -0.08 119.30 126.92 3ib6 s MET 118 Ca -0.07 0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 54.68 3ib6 s MET 118 Cb -0.09 -3.49 -0.02 0.00 2.84 0.00 0.00 34.83 34.07 3ib6 s MET 118 CO -0.04 0.05 -0.06 0.08 -0.65 0.00 0.00 175.02 174.40 3ib6 s VAL 119 N 1.01 3.68 0.10 10.11 1.01 0.04 0.04 120.40 136.40 3ib6 s VAL 119 Ca 0.23 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 3ib6 s VAL 119 Cb -0.15 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.72 3ib6 s VAL 119 CO 0.09 0.50 1.14 -0.83 0.00 0.00 0.00 175.10 175.99 3ib6 s GLY 120 N 0.37 -0.02 -0.02 4.51 0.00 -0.52 -1.96 107.32 109.67 3ib6 s GLY 120 Ca -0.06 -0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.65 3ib6 s GLY 120 CO 0.04 3.20 0.21 1.16 0.00 0.00 0.00 173.10 177.71 3ib6 n ASN 121 N -1.08 2.72 -4.61 1.64 6.94 -1.26 -1.76 115.26 117.85 3ib6 n ASN 121 Ca -0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.16 3ib6 n ASN 121 Cb 0.59 1.41 -0.10 0.00 -2.36 0.00 0.00 39.78 39.32 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 -2.66 5.24 0.07 5.53 2.01 -1.26 -1.80 115.64 122.77 3ib6 s THR 122 Ca -0.04 0.41 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 3ib6 s THR 122 Cb 0.06 -3.62 -0.16 0.00 0.01 0.00 0.00 72.50 68.79 3ib6 s THR 122 CO 0.41 0.22 1.65 0.15 -0.69 0.00 0.00 174.62 176.36 3ib6 h PHE 123 N 8.08 -0.01 0.00 4.92 3.57 -1.39 -1.69 116.94 130.42 3ib6 h PHE 123 Ca -0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3ib6 h PHE 123 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3ib6 h PHE 123 CO 0.74 0.08 0.00 0.93 -2.23 0.00 0.00 178.31 177.83 3ib6 h GLU 124 N -0.10 0.00 0.00 1.11 3.07 -1.94 -1.07 114.58 115.66 3ib6 h GLU 124 Ca -0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 3ib6 h GLU 124 Cb 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.95 3ib6 h GLU 124 CO 0.00 0.00 -2.13 -1.13 -1.40 0.00 0.00 179.01 174.35 3ib6 n SER 125 N -2.97 1.74 -0.04 1.42 3.41 -1.22 -4.35 113.62 111.61 3ib6 n SER 125 Ca 0.03 0.15 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 3ib6 n SER 125 Cb 0.45 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.54 0.18 0.00 4.04 3.32 -1.43 -3.13 116.42 118.86 3ib6 h ASP 126 Ca -0.50 -0.83 -0.05 0.00 0.02 0.00 0.00 57.03 55.68 3ib6 h ASP 126 Cb 1.51 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3ib6 h ASP 126 CO -0.25 1.37 -0.32 0.40 -1.72 0.00 0.00 179.24 178.72 3ib6 h ILE 127 N -0.70 1.07 -0.38 0.35 1.08 -1.39 -1.11 117.51 116.43 3ib6 h ILE 127 Ca -0.20 -1.91 -0.02 0.00 -0.39 0.00 0.00 64.86 62.34 3ib6 h ILE 127 Cb 1.40 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 37.26 3ib6 h ILE 127 CO -0.01 0.36 0.15 0.40 -0.69 0.00 0.00 178.15 178.36 3ib6 h ILE 128 N -1.00 1.19 -0.69 -0.67 1.08 -1.45 0.32 117.51 116.29 3ib6 h ILE 128 Ca -0.08 -0.59 0.12 0.00 -0.39 0.00 0.00 64.86 63.92 3ib6 h ILE 128 Cb 0.81 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 35.35 3ib6 h ILE 128 CO -0.05 0.21 0.28 1.23 -0.69 0.00 0.00 178.15 179.13 3ib6 h GLY 129 N 0.47 1.01 0.87 5.37 0.00 -1.65 -0.88 103.07 108.26 3ib6 h GLY 129 Ca 0.13 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 3ib6 h GLY 129 CO -0.01 -0.04 -0.36 0.00 0.00 0.00 0.00 176.54 176.13 3ib6 h ALA 130 N 1.48 0.27 -0.77 3.60 0.00 -0.85 -2.80 119.26 120.19 3ib6 h ALA 130 Ca 0.36 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ib6 h ALA 130 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3ib6 h ALA 130 CO -0.35 0.34 0.50 -0.97 0.00 0.00 0.00 179.25 178.77 3ib6 h ASN 131 N 0.18 0.85 0.98 0.00 -0.73 -0.06 -0.43 115.58 116.38 3ib6 h ASN 131 Ca 0.00 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.10 3ib6 h ASN 131 Cb 0.96 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 3ib6 h ASN 131 CO 0.08 0.60 -0.29 0.03 -0.37 0.00 0.00 177.43 177.48 3ib6 h ARG 132 N 1.00 0.00 -0.11 6.67 3.08 -1.20 -2.63 114.38 121.20 3ib6 h ARG 132 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3ib6 h ARG 132 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ib6 h ARG 132 CO -0.08 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3ib6 n ALA 133 N -2.24 2.55 -0.89 0.04 0.00 -0.93 -4.92 120.51 114.12 3ib6 n ALA 133 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3ib6 n ALA 133 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.07 0.51 3.72 0.00 0.00 -0.99 -4.88 105.19 104.62 3ib6 n GLY 134 Ca 0.17 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 4.72 0.79 -0.61 1.01 -0.21 -4.45 121.20 120.45 3ib6 s ILE 135 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 3ib6 s ILE 135 Cb 0.00 -3.04 0.05 0.00 0.01 0.00 0.00 42.46 39.48 3ib6 s ILE 135 CO 0.00 0.58 1.05 1.41 0.00 0.00 0.00 174.94 177.98 3ib6 n HIS 136 N 2.44 0.82 -4.09 3.97 8.25 -1.25 -3.57 115.22 121.78 3ib6 n HIS 136 Ca -0.19 0.39 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 3ib6 n HIS 136 Cb 0.54 -2.07 -0.12 0.00 1.12 0.00 0.00 29.99 29.46 3ib6 n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ib6 s ALA 137 N -2.05 0.70 -0.15 -1.41 0.00 -0.21 -1.48 121.76 117.15 3ib6 s ALA 137 Ca 0.72 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3ib6 s ALA 137 Cb -0.30 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3ib6 s ALA 137 CO 0.52 0.02 -0.12 0.42 0.00 0.00 0.00 175.76 176.60 3ib6 s ILE 138 N -1.34 3.01 -0.22 0.00 1.01 0.11 -1.47 121.20 122.30 3ib6 s ILE 138 Ca -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3ib6 s ILE 138 Cb -0.10 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.13 3ib6 s ILE 138 CO 0.01 0.50 -0.13 0.86 0.00 0.00 0.00 174.94 176.18 3ib6 s TRP 139 N 0.68 2.87 0.08 3.97 -0.00 -0.24 -1.44 118.94 124.85 3ib6 s TRP 139 Ca -0.06 -1.92 -0.31 0.00 -0.00 0.00 0.00 56.10 53.81 3ib6 s TRP 139 Cb -0.15 -1.83 -0.07 0.00 -0.00 0.00 0.00 33.47 31.41 3ib6 s TRP 139 CO 0.02 -0.82 1.41 -0.51 -0.00 0.00 0.00 176.95 177.05 3ib6 s LEU 140 N 1.24 4.35 0.00 5.86 1.43 -0.72 -2.04 118.68 128.81 3ib6 s LEU 140 Ca -0.03 2.27 0.22 0.00 -1.03 0.00 0.00 54.13 55.55 3ib6 s LEU 140 Cb -0.17 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 3ib6 s LEU 140 CO -0.08 -0.68 1.01 0.00 0.23 0.00 0.00 176.35 176.83 3ib6 n GLN 141 N 4.48 0.85 -1.59 1.70 1.13 0.29 -4.30 117.38 119.95 3ib6 n GLN 141 Ca 0.12 -0.66 -0.47 0.00 -1.94 0.00 0.00 57.00 54.05 3ib6 n GLN 141 Cb 0.43 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.25 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 -0.52 3.04 0.00 1.08 2.85 -0.57 -4.72 115.26 116.42 3ib6 n ASN 142 Ca 0.07 0.56 0.03 0.00 -0.11 0.00 0.00 54.58 55.13 3ib6 n ASN 142 Cb 0.42 -1.41 0.15 0.00 1.24 0.00 0.00 39.78 40.18 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 7.83 0.05 -0.23 1.20 -0.02 -1.26 -0.11 135.00 142.45 3ib6 n PRO 143 Ca 0.30 0.31 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 3ib6 n PRO 143 Cb 0.33 -1.50 0.28 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 0.90 0.00 -0.52 5.08 -1.98 -3.37 114.58 114.69 3ib6 h GLU 144 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ib6 h GLU 144 Cb 0.09 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3ib6 h GLU 144 CO 0.00 0.59 -0.98 1.33 -1.00 0.00 0.00 179.01 178.96 3ib6 n VAL 145 N -4.46 0.00 -2.30 3.13 0.24 0.56 -5.04 118.33 110.45 3ib6 n VAL 145 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.98 3ib6 n VAL 145 Cb 0.15 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.40 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 3.42 2.47 -0.29 0.00 1.43 -0.74 -4.82 118.68 120.15 3ib6 s LEU 147 Ca 0.60 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 3ib6 s LEU 147 Cb -0.26 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 44.58 3ib6 s LEU 147 CO 0.20 0.23 0.63 -1.58 0.23 0.00 0.00 176.35 176.06 3ib6 s GLN 148 N -0.03 0.56 -0.00 1.70 0.74 -1.26 -0.87 119.66 120.49 3ib6 s GLN 148 Ca -0.05 1.41 0.12 0.00 0.05 0.00 0.00 55.36 56.89 3ib6 s GLN 148 Cb -0.14 0.83 -0.22 0.00 1.10 0.00 0.00 33.01 34.57 3ib6 s GLN 148 CO 0.04 -0.22 0.80 -0.44 -0.55 0.00 0.00 175.29 174.93 3ib6 h ASP 149 N 8.01 0.00 -4.59 6.67 3.32 -2.01 -3.48 116.42 124.34 3ib6 h ASP 149 Ca -0.18 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 3ib6 h ASP 149 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 3ib6 h ASP 149 CO 0.11 0.99 -0.05 -0.70 -1.72 0.00 0.00 179.24 177.86 3ib6 s GLU 150 N -2.63 0.78 -1.12 3.56 2.12 -1.26 -5.06 118.70 115.09 3ib6 s GLU 150 Ca -0.03 0.31 -0.18 0.00 0.36 0.00 0.00 54.97 55.43 3ib6 s GLU 150 Cb 0.08 0.37 -0.06 0.00 0.26 0.00 0.00 34.13 34.78 3ib6 s GLU 150 CO 0.82 -0.19 2.07 0.54 -0.54 0.00 0.00 175.26 177.96 3ib6 n ARG 151 N 1.73 2.19 -2.06 4.30 1.74 -1.26 -4.95 116.66 118.35 3ib6 n ARG 151 Ca -0.18 -2.24 -0.39 0.00 -0.77 0.00 0.00 57.85 54.27 3ib6 n ARG 151 Cb 0.56 -3.12 -0.00 0.00 -1.02 0.00 0.00 32.46 28.88 3ib6 n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ib6 s LEU 152 N 1.86 4.15 0.51 0.55 1.43 -1.26 -4.95 118.68 120.97 3ib6 s LEU 152 Ca 0.52 2.62 -0.18 0.00 -1.03 0.00 0.00 54.13 56.06 3ib6 s LEU 152 Cb 0.14 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 3ib6 s LEU 152 CO 0.02 -0.92 1.00 -2.16 0.23 0.00 0.00 176.35 174.51 3ib6 s PRO 153 N -2.36 3.86 0.39 1.29 0.04 -1.26 -5.05 135.00 131.90 3ib6 s PRO 153 Ca 0.59 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.78 3ib6 s PRO 153 Cb -0.37 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3ib6 s PRO 153 CO 0.47 -0.35 0.19 1.28 0.04 0.00 0.00 177.00 178.63 3ib6 n LEU 154 N -1.40 0.00 -4.37 -3.56 4.77 -1.26 -5.09 117.00 106.09 3ib6 n LEU 154 Ca 0.07 -3.19 -0.19 0.00 -0.03 0.00 0.00 56.01 52.68 3ib6 n LEU 154 Cb 0.54 1.25 -0.10 0.00 -2.33 0.00 0.00 43.42 42.77 3ib6 n LEU 154 CO 0.44 -0.50 -0.27 0.68 -1.33 0.00 0.00 177.39 176.41 3ib6 s VAL 155 N -3.19 0.87 -0.13 4.08 -7.23 -1.26 -5.17 120.40 108.37 3ib6 s VAL 155 Ca 0.27 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 3ib6 s VAL 155 Cb 0.01 -2.67 0.05 0.00 0.56 0.00 0.00 36.38 34.32 3ib6 s VAL 155 CO 0.19 -0.03 0.33 0.00 -0.31 0.00 0.00 175.10 175.27 3ib6 s ALA 156 N -3.53 -0.81 0.89 1.32 0.00 -1.26 -4.27 121.76 114.10 3ib6 s ALA 156 Ca 0.36 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 3ib6 s ALA 156 Cb 0.08 -0.71 0.12 0.00 0.00 0.00 0.00 23.12 22.62 3ib6 s ALA 156 CO 0.14 -0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.53 3ib6 s PRO 157 N 0.98 1.31 0.92 0.00 0.04 -1.26 -5.05 135.00 131.93 3ib6 s PRO 157 Ca -0.07 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 61.75 3ib6 s PRO 157 Cb -0.07 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.80 3ib6 s PRO 157 CO -0.07 -2.23 1.09 -1.25 0.04 0.00 0.00 177.00 174.58 3ib6 s PRO 158 N -4.90 1.06 0.17 0.56 0.04 -1.26 -5.10 135.00 125.57 3ib6 s PRO 158 Ca 0.63 0.73 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3ib6 s PRO 158 Cb -0.18 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3ib6 s PRO 158 CO 0.57 -2.35 0.31 -0.06 0.04 0.00 0.00 177.00 175.50 3ib6 s PHE 159 N -2.95 3.48 -0.26 0.56 0.08 -1.26 -4.84 117.98 112.78 3ib6 s PHE 159 Ca 0.64 0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.83 3ib6 s PHE 159 Cb -0.18 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 3ib6 s PHE 159 CO 0.57 0.49 -0.06 0.08 -0.10 0.00 0.00 175.22 176.20 3ib6 s VAL 160 N -1.79 1.90 -0.24 -0.44 1.01 -1.26 -1.05 120.40 118.54 3ib6 s VAL 160 Ca 0.35 -1.57 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 3ib6 s VAL 160 Cb -0.11 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3ib6 s VAL 160 CO 0.29 -0.15 0.39 -0.63 0.00 0.00 0.00 175.10 175.00 3ib6 s ILE 161 N 1.20 5.18 0.23 2.22 -1.09 -0.55 -4.97 121.20 123.43 3ib6 s ILE 161 Ca -0.05 0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 58.73 3ib6 s ILE 161 Cb -0.19 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 3ib6 s ILE 161 CO -0.06 0.19 0.90 -2.16 -1.23 0.00 0.00 174.94 172.58 3ib6 s PRO 162 N 1.75 4.78 0.20 2.79 0.04 -1.26 -1.08 135.00 142.22 3ib6 s PRO 162 Ca 0.17 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3ib6 s PRO 162 Cb -0.15 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 3ib6 s PRO 162 CO 0.09 0.52 -0.02 0.14 0.04 0.00 0.00 177.00 177.77 3ib6 s VAL 163 N -1.20 0.93 -0.04 -0.36 -7.23 -0.86 -4.88 120.40 106.76 3ib6 s VAL 163 Ca 0.40 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.31 3ib6 s VAL 163 Cb -0.25 -2.18 -0.23 0.00 0.56 0.00 0.00 36.38 34.28 3ib6 s VAL 163 CO 0.30 -0.45 1.05 -0.25 -0.31 0.00 0.00 175.10 175.44 3ib6 h TRP 164 N 2.60 0.28 -1.85 2.82 2.91 -1.94 0.85 115.95 121.62 3ib6 h TRP 164 Ca -0.37 -0.15 0.02 0.00 1.13 0.00 0.00 58.89 59.52 3ib6 h TRP 164 Cb 1.21 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 3ib6 h TRP 164 CO 0.58 0.93 0.08 -3.47 -1.03 0.00 0.00 178.44 175.53 3ib6 n ASP 165 N -4.50 -0.29 -0.30 2.65 -0.08 -1.26 -1.51 116.55 111.26 3ib6 n ASP 165 Ca -0.10 -1.17 0.08 0.00 -1.51 0.00 0.00 54.79 52.09 3ib6 n ASP 165 Cb 0.50 0.48 0.23 0.00 2.34 0.00 0.00 41.12 44.68 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 0.52 -2.39 -2.67 3.38 -1.90 -1.84 115.31 110.41 3ib6 h LEU 166 Ca -0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ib6 h LEU 166 Cb 0.19 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ib6 h LEU 166 CO 0.06 0.20 -0.02 0.00 0.09 0.00 0.00 178.44 178.77 3ib6 h ALA 167 N 1.57 1.45 -0.01 1.53 0.00 -1.89 -0.21 119.26 121.71 3ib6 h ALA 167 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ib6 h ALA 167 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ib6 h ALA 167 CO -0.38 0.03 -0.19 -0.25 0.00 0.00 0.00 179.25 178.47 3ib6 n ASP 168 N -3.77 0.79 -0.21 0.00 8.00 -0.69 -4.30 116.55 116.36 3ib6 n ASP 168 Ca -0.03 -0.76 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 3ib6 n ASP 168 Cb 0.11 0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.94 1.25 -0.68 2.53 2.07 -1.11 -2.81 116.25 118.44 3ib6 h VAL 169 Ca 0.00 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3ib6 h VAL 169 Cb 0.44 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ib6 h VAL 169 CO 0.00 0.34 0.45 -0.65 0.02 0.00 0.00 177.57 177.73 3ib6 h PRO 170 N 0.87 0.88 -0.04 1.57 0.11 -1.77 -0.23 132.00 133.39 3ib6 h PRO 170 Ca 0.19 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.27 3ib6 h PRO 170 Cb 0.36 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 3ib6 h PRO 170 CO 0.00 0.58 -0.14 0.93 -0.21 0.00 0.00 178.00 179.16 3ib6 h GLU 171 N 0.90 -0.21 -0.77 1.05 3.07 -1.82 -2.08 114.58 114.72 3ib6 h GLU 171 Ca 0.26 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.25 3ib6 h GLU 171 Cb -0.08 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 27.79 3ib6 h GLU 171 CO -0.07 -0.14 0.37 0.00 -1.40 0.00 0.00 179.01 177.78 3ib6 h ALA 172 N 0.77 1.11 -0.77 3.43 0.00 -1.19 0.11 119.26 122.72 3ib6 h ALA 172 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ib6 h ALA 172 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ib6 h ALA 172 CO -0.17 -0.10 0.33 -0.07 0.00 0.00 0.00 179.25 179.25 3ib6 h LEU 173 N 0.58 1.04 -0.97 0.00 3.38 -0.86 -1.60 115.31 116.88 3ib6 h LEU 173 Ca 0.41 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3ib6 h LEU 173 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ib6 h LEU 173 CO -0.33 0.91 -0.35 -0.07 0.09 0.00 0.00 178.44 178.69 3ib6 h LEU 174 N 1.11 0.00 -0.31 1.67 3.38 -0.24 -0.19 115.31 120.72 3ib6 h LEU 174 Ca 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3ib6 h LEU 174 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ib6 h LEU 174 CO -0.03 0.35 -0.21 0.25 0.09 0.00 0.00 178.44 178.90 3ib6 h LEU 175 N 0.00 0.72 -0.44 1.67 6.46 -0.52 -2.89 115.31 120.32 3ib6 h LEU 175 Ca -0.00 -0.43 -0.17 0.00 -0.12 0.00 0.00 57.88 57.15 3ib6 h LEU 175 Cb 0.87 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 3ib6 h LEU 175 CO 0.05 1.00 -0.56 -0.07 -0.62 0.00 0.00 178.44 178.24 3ib6 h LEU 176 N 0.45 0.74 -0.57 2.25 3.38 -0.87 -3.06 115.31 117.63 3ib6 h LEU 176 Ca 0.06 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ib6 h LEU 176 Cb 0.76 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3ib6 h LEU 176 CO 0.06 1.14 0.35 0.50 0.09 0.00 0.00 178.44 180.58 3ib6 h LYS 177 N 0.51 0.67 -0.69 1.13 3.64 -1.10 -2.96 116.57 117.75 3ib6 h LYS 177 Ca 0.01 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3ib6 h LYS 177 Cb 1.12 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3ib6 h LYS 177 CO 0.11 0.44 0.46 0.87 -2.27 0.00 0.00 179.45 179.06 3ib6 h LYS 178 N 0.69 0.91 -0.02 1.90 1.57 -1.40 -3.47 116.57 116.74 3ib6 h LYS 178 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ib6 h LYS 178 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3ib6 h LYS 178 CO -0.10 0.60 0.00 0.44 -0.57 0.00 0.00 179.45 179.82