#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f40 s THR 3 N 0.00 2.92 -0.60 -0.18 -4.23 -1.26 -5.07 115.64 107.22 3f40 s THR 3 Ca 0.00 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3f40 s THR 3 Cb 0.00 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 71.00 3f40 s THR 3 CO 0.00 -0.00 0.41 -1.10 -0.54 0.00 0.00 174.62 173.39 3f40 s GLN 4 N -4.45 1.98 -0.25 3.99 -0.21 -1.26 -5.06 119.66 114.40 3f40 s GLN 4 Ca 0.56 -2.89 -0.01 0.00 0.02 0.00 0.00 55.36 53.04 3f40 s GLN 4 Cb -0.10 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.05 3f40 s GLN 4 CO 0.34 -1.28 -0.07 0.42 -2.12 0.00 0.00 175.29 172.59 3f40 s ILE 5 N -0.85 2.77 0.76 1.08 1.01 -1.26 -5.06 121.20 119.64 3f40 s ILE 5 Ca 0.25 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 3f40 s ILE 5 Cb -0.07 -2.43 0.12 0.00 0.01 0.00 0.00 42.46 40.09 3f40 s ILE 5 CO -0.14 0.17 1.05 0.42 0.00 0.00 0.00 174.94 176.45 3f40 s THR 6 N 1.30 2.18 0.14 2.92 -4.23 -1.26 -4.88 115.64 111.80 3f40 s THR 6 Ca -0.01 -0.39 -0.22 0.00 -1.18 0.00 0.00 61.69 59.89 3f40 s THR 6 Cb -0.17 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 3f40 s THR 6 CO -0.05 0.00 1.66 0.74 -0.54 0.00 0.00 174.62 176.43 3f40 h THR 7 N -0.74 0.57 -0.39 3.99 2.02 -1.98 0.00 112.91 116.38 3f40 h THR 7 Ca -0.40 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.86 3f40 h THR 7 Cb 1.27 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 3f40 h THR 7 CO 0.45 0.00 -0.16 -0.09 0.37 0.00 0.00 175.52 176.09 3f40 h ARG 8 N -0.18 -0.08 -0.72 6.66 1.12 -1.97 -1.78 114.38 117.43 3f40 h ARG 8 Ca 0.11 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.03 3f40 h ARG 8 Cb 0.34 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.27 3f40 h ARG 8 CO -0.28 -0.05 0.44 -0.44 -3.11 0.00 0.00 179.97 176.52 3f40 h ASP 9 N -0.09 0.69 -0.38 -3.80 3.32 -1.78 -1.62 116.42 112.78 3f40 h ASP 9 Ca 0.19 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3f40 h ASP 9 Cb 0.38 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3f40 h ASP 9 CO -0.45 0.46 0.12 0.25 -1.72 0.00 0.00 179.24 177.90 3f40 h LEU 10 N 0.83 0.11 -0.34 1.55 7.12 -0.14 0.15 115.31 124.59 3f40 h LEU 10 Ca 0.30 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 58.29 3f40 h LEU 10 Cb 0.10 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 3f40 h LEU 10 CO -0.14 0.10 -0.09 0.58 -0.13 0.00 0.00 178.44 178.76 3f40 h VAL 11 N 0.26 1.28 -0.33 1.05 2.07 -1.00 -1.85 116.25 117.74 3f40 h VAL 11 Ca 0.17 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3f40 h VAL 11 Cb 0.17 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3f40 h VAL 11 CO -0.19 0.37 -0.11 -0.07 0.02 0.00 0.00 177.57 177.59 3f40 h LEU 12 N 0.44 0.55 -0.75 2.57 3.38 -1.00 -1.35 115.31 119.15 3f40 h LEU 12 Ca 0.08 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3f40 h LEU 12 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3f40 h LEU 12 CO 0.03 0.70 0.16 -0.33 0.09 0.00 0.00 178.44 179.10 3f40 h GLU 13 N 0.53 1.11 -0.30 1.13 5.08 -0.50 -0.00 114.58 121.63 3f40 h GLU 13 Ca 0.10 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3f40 h GLU 13 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3f40 h GLU 13 CO 0.03 0.98 0.17 0.35 -1.00 0.00 0.00 179.01 179.54 3f40 h PHE 14 N 1.05 0.40 -0.69 4.33 3.57 -0.72 0.41 116.94 125.30 3f40 h PHE 14 Ca 0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3f40 h PHE 14 Cb 0.38 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3f40 h PHE 14 CO 0.03 0.33 0.24 0.82 -2.23 0.00 0.00 178.31 177.49 3f40 h ILE 15 N 0.36 1.25 -0.72 1.41 1.08 -1.13 -1.45 117.51 118.31 3f40 h ILE 15 Ca 0.10 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 3f40 h ILE 15 Cb 0.05 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3f40 h ILE 15 CO -0.02 0.33 0.31 -0.74 -0.69 0.00 0.00 178.15 177.34 3f40 h HIS 16 N 1.00 1.08 -0.42 1.37 2.76 -0.69 -0.34 115.15 119.91 3f40 h HIS 16 Ca 0.23 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3f40 h HIS 16 Cb 0.27 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3f40 h HIS 16 CO 0.02 0.82 0.27 0.00 -1.30 0.00 0.00 177.93 177.74 3f40 h ALA 17 N 1.15 0.53 -0.59 5.26 0.00 -0.60 -1.18 119.26 123.83 3f40 h ALA 17 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3f40 h ALA 17 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3f40 h ALA 17 CO -0.02 -0.01 0.22 -0.07 0.00 0.00 0.00 179.25 179.37 3f40 h LEU 18 N 0.56 0.83 -1.52 0.00 3.38 -0.85 0.14 115.31 117.85 3f40 h LEU 18 Ca 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3f40 h LEU 18 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3f40 h LEU 18 CO -0.03 0.79 -0.22 0.78 0.09 0.00 0.00 178.44 179.85 3f40 h ASN 19 N 0.83 0.03 -0.60 -0.43 2.35 -0.76 -1.37 115.58 115.63 3f40 h ASN 19 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3f40 h ASN 19 Cb 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3f40 h ASN 19 CO -0.01 0.25 0.00 0.35 -1.65 0.00 0.00 177.43 176.37 3f40 n THR 20 N -4.27 1.94 -3.62 2.81 -2.24 -0.47 -4.92 114.28 103.51 3f40 n THR 20 Ca -0.02 -1.16 -0.27 0.00 -2.27 0.00 0.00 64.05 60.33 3f40 n THR 20 Cb 0.28 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 3f40 n THR 20 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f40 n GLU 21 N 0.95 -4.13 -3.23 -0.78 1.02 -0.52 -4.89 120.64 109.06 3f40 n GLU 21 Ca 0.25 0.54 -0.45 0.00 -0.02 0.00 0.00 57.16 57.48 3f40 n GLU 21 Cb 0.92 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 27.03 3f40 n GLU 21 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3f40 n ASN 22 N -2.52 5.64 0.01 1.62 2.85 0.43 -4.90 115.26 118.39 3f40 n ASN 22 Ca 0.01 -3.09 -0.09 0.00 -0.11 0.00 0.00 54.58 51.29 3f40 n ASN 22 Cb 0.54 -1.38 0.06 0.00 1.24 0.00 0.00 39.78 40.23 3f40 n ASN 22 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3f40 h PHE 23 N 6.48 0.67 -0.40 1.20 0.04 -1.90 -1.49 116.94 121.54 3f40 h PHE 23 Ca 0.20 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 3f40 h PHE 23 Cb 0.83 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3f40 h PHE 23 CO 0.83 0.96 0.02 -1.35 -0.60 0.00 0.00 178.31 178.18 3f40 h PRO 24 N 0.41 0.62 -0.44 1.51 0.11 -1.96 -1.05 132.00 131.19 3f40 h PRO 24 Ca 0.01 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 3f40 h PRO 24 Cb 1.09 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3f40 h PRO 24 CO 0.10 0.62 0.01 0.00 -0.21 0.00 0.00 178.00 178.52 3f40 h ALA 25 N 1.44 0.59 -0.69 -0.75 0.00 -1.88 -2.71 119.26 115.27 3f40 h ALA 25 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3f40 h ALA 25 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3f40 h ALA 25 CO 0.01 0.38 0.39 0.00 0.00 0.00 0.00 179.25 180.03 3f40 h ALA 26 N 0.91 0.89 -0.15 0.00 0.00 -0.95 -2.56 119.26 117.40 3f40 h ALA 26 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3f40 h ALA 26 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3f40 h ALA 26 CO 0.02 0.39 0.01 -0.22 0.00 0.00 0.00 179.25 179.46 3f40 h LYS 27 N 0.95 0.21 0.00 0.00 3.64 -0.96 -1.73 116.57 118.67 3f40 h LYS 27 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3f40 h LYS 27 Cb 0.02 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3f40 h LYS 27 CO -0.04 0.22 -0.09 0.87 -2.27 0.00 0.00 179.45 178.14 3f40 h LYS 28 N 0.21 0.00 -0.00 1.90 1.57 -1.15 -2.31 116.57 116.79 3f40 h LYS 28 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3f40 h LYS 28 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3f40 h LYS 28 CO 0.00 0.09 -0.19 0.54 -0.57 0.00 0.00 179.45 179.32 3f40 n ARG 29 N -3.77 0.28 -4.11 3.15 3.00 -0.65 -4.87 116.66 109.69 3f40 n ARG 29 Ca -0.02 -0.10 -0.35 0.00 -0.01 0.00 0.00 57.85 57.37 3f40 n ARG 29 Cb 0.20 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.08 3f40 n ARG 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3f40 s LEU 30 N -2.79 3.98 0.48 0.55 1.43 -0.87 -0.80 118.68 120.67 3f40 s LEU 30 Ca 0.19 0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.33 3f40 s LEU 30 Cb 0.19 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 3f40 s LEU 30 CO 0.56 0.36 1.29 0.21 0.23 0.00 0.00 176.35 178.99 3f40 s ASN 31 N -1.21 5.81 0.55 2.29 3.84 -0.13 -4.83 114.94 121.26 3f40 s ASN 31 Ca 0.17 2.60 0.23 0.00 0.21 0.00 0.00 52.86 56.07 3f40 s ASN 31 Cb -0.12 -2.63 1.52 0.00 -0.55 0.00 0.00 41.25 39.47 3f40 s ASN 31 CO 0.07 -1.19 2.15 1.05 -2.79 0.00 0.00 177.10 176.39 3f40 h GLU 32 N 1.94 0.00 -0.64 0.43 4.11 -1.94 -1.20 114.58 117.28 3f40 h GLU 32 Ca -0.50 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.69 3f40 h GLU 32 Cb 1.27 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 3f40 h GLU 32 CO 0.59 0.00 0.24 0.09 0.07 0.00 0.00 179.01 180.00 3f40 n ASN 33 N -4.19 4.01 -4.58 3.06 5.03 -1.26 -1.90 115.26 115.44 3f40 n ASN 33 Ca -0.01 -3.39 -0.45 0.00 0.87 0.00 0.00 54.58 51.61 3f40 n ASN 33 Cb 0.19 -0.71 -0.02 0.00 -1.02 0.00 0.00 39.78 38.22 3f40 n ASN 33 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3f40 n PHE 34 N -0.60 1.18 -4.38 3.10 7.35 -0.45 -4.45 117.46 119.20 3f40 n PHE 34 Ca 0.40 0.71 -0.30 0.00 -0.76 0.00 0.00 57.45 57.51 3f40 n PHE 34 Cb 1.30 -2.24 -0.11 0.00 0.35 0.00 0.00 39.48 38.78 3f40 n PHE 34 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3f40 s THR 35 N -0.95 3.01 -0.06 -2.13 -4.23 -0.75 0.14 115.64 110.68 3f40 s THR 35 Ca 0.61 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 3f40 s THR 35 Cb -0.73 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 3f40 s THR 35 CO 0.59 0.18 -0.24 0.12 -0.54 0.00 0.00 174.62 174.72 3f40 s PHE 36 N -1.10 2.45 -0.05 3.99 5.36 -0.43 -1.31 117.98 126.88 3f40 s PHE 36 Ca 0.18 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 3f40 s PHE 36 Cb -0.11 -1.60 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3f40 s PHE 36 CO 0.10 -0.19 -0.05 -0.80 -1.46 0.00 0.00 175.22 172.81 3f40 s ASN 37 N -0.20 1.23 0.34 6.13 0.01 -0.15 -1.51 114.94 120.79 3f40 s ASN 37 Ca -0.02 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 3f40 s ASN 37 Cb -0.13 -0.54 -0.02 0.00 0.41 0.00 0.00 41.25 40.97 3f40 s ASN 37 CO 0.03 -0.06 0.36 -0.83 -1.51 0.00 0.00 177.10 175.09 3f40 s GLY 38 N 1.03 2.03 0.00 0.66 0.00 -1.26 -0.98 107.32 108.80 3f40 s GLY 38 Ca -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.76 3f40 s GLY 38 CO -0.00 -1.29 0.00 -1.05 0.00 0.00 0.00 173.10 170.75 3f40 n PRO 39 N -0.60 0.00 -0.55 2.90 -0.02 -1.26 -4.68 135.00 130.79 3f40 n PRO 39 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3f40 n PRO 39 Cb 0.62 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 3f40 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f40 n GLY 41 N 0.70 0.97 3.12 -1.23 0.00 -1.26 -5.06 105.19 102.43 3f40 n GLY 41 Ca 0.00 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 3f40 n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f40 s HIS 42 N 0.55 1.19 -0.02 1.61 2.46 -1.26 -4.35 115.29 115.48 3f40 s HIS 42 Ca 0.00 -0.29 0.04 0.00 0.47 0.00 0.00 55.06 55.28 3f40 s HIS 42 Cb 0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 32.58 31.71 3f40 s HIS 42 CO 0.00 0.01 -0.14 1.03 -2.47 0.00 0.00 174.74 173.17 3f40 s ARG 43 N -0.74 1.21 -0.20 2.88 1.81 -0.57 -4.99 118.95 118.34 3f40 s ARG 43 Ca 0.03 -0.50 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3f40 s ARG 43 Cb -0.06 -1.15 -0.00 0.00 -0.45 0.00 0.00 34.95 33.29 3f40 s ARG 43 CO 0.00 0.28 -0.09 -2.00 -0.68 0.00 0.00 175.30 172.82 3f40 s GLU 44 N -0.25 3.28 0.00 3.54 2.56 -1.26 -1.32 118.70 125.25 3f40 s GLU 44 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.33 3f40 s GLU 44 Cb -0.06 -2.87 0.00 0.00 2.00 0.00 0.00 34.13 33.19 3f40 s GLU 44 CO -0.00 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 3f40 n GLY 45 N 4.66 2.29 0.24 -1.50 0.00 0.12 -4.61 105.19 106.38 3f40 n GLY 45 Ca -0.19 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3f40 n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f40 h SER 46 N 0.00 0.19 -0.02 1.61 4.64 -1.50 -2.58 113.55 115.88 3f40 h SER 46 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3f40 h SER 46 Cb 0.00 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3f40 h SER 46 CO 0.00 0.35 0.01 -0.08 -0.87 0.00 0.00 176.83 176.24 3f40 h GLU 47 N 0.19 0.04 -0.34 4.77 4.22 -1.89 -3.06 114.58 118.51 3f40 h GLU 47 Ca 0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 3f40 h GLU 47 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3f40 h GLU 47 CO 0.02 0.19 0.02 -0.09 -2.18 0.00 0.00 179.01 176.97 3f40 h ARG 48 N -0.13 0.58 -0.54 1.92 9.65 -1.80 -0.98 114.38 123.09 3f40 h ARG 48 Ca 0.01 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3f40 h ARG 48 Cb 0.17 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3f40 h ARG 48 CO -0.00 0.69 0.00 0.98 2.80 0.00 0.00 179.97 184.44 3f40 n TYR 49 N -4.55 0.00 0.00 2.20 9.36 -0.98 -2.05 117.16 121.14 3f40 n TYR 49 Ca -0.02 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.19 3f40 n TYR 49 Cb 0.25 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 3f40 n TYR 49 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3f40 n ASN 51 N 0.56 0.00 -0.77 2.98 3.02 -0.37 -4.66 115.26 116.03 3f40 n ASN 51 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3f40 n ASN 51 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3f40 n ASN 51 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3f40 n ASP 52 N 0.00 0.14 0.00 6.41 8.00 -0.87 -2.59 116.55 127.64 3f40 n ASP 52 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3f40 n ASP 52 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3f40 n ASP 52 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f40 n GLU 54 N 0.73 0.00 -0.25 -1.24 4.71 -1.26 -4.54 120.64 118.79 3f40 n GLU 54 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 3f40 n GLU 54 Cb 0.03 0.00 0.15 0.00 -1.01 0.00 0.00 31.44 30.61 3f40 n GLU 54 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3f40 n LYS 55 N 0.00 2.11 0.00 3.49 4.81 -1.07 -5.09 118.16 122.41 3f40 n LYS 55 Ca 0.00 -1.19 0.00 0.00 -0.87 0.00 0.00 58.31 56.25 3f40 n LYS 55 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3f40 n LYS 55 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3f40 n LYS 57 N 0.33 0.00 -2.14 1.64 5.02 -1.26 -5.17 118.16 116.57 3f40 n LYS 57 Ca 0.11 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 3f40 n LYS 57 Cb 0.43 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.44 3f40 n LYS 57 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3f40 s PHE 58 N 0.00 2.82 0.08 2.13 0.08 -1.26 -4.88 117.98 116.95 3f40 s PHE 58 Ca 0.00 1.48 0.10 0.00 0.12 0.00 0.00 56.93 58.63 3f40 s PHE 58 Cb 0.00 -3.52 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 3f40 s PHE 58 CO 0.00 -1.82 -0.24 0.15 -0.10 0.00 0.00 175.22 173.21 3f40 s LYS 59 N -2.52 1.69 -0.03 0.44 -0.14 -1.06 -4.63 119.74 113.50 3f40 s LYS 59 Ca 0.62 -1.19 0.03 0.00 -1.36 0.00 0.00 55.97 54.07 3f40 s LYS 59 Cb -0.33 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 3f40 s LYS 59 CO 0.41 0.49 -0.13 0.71 -0.76 0.00 0.00 175.35 176.08 3f40 s TYR 60 N -0.96 1.29 -0.23 3.18 1.51 -1.26 -0.57 117.35 120.31 3f40 s TYR 60 Ca 0.14 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3f40 s TYR 60 Cb -0.10 -0.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 3f40 s TYR 60 CO 0.05 -0.13 -0.14 0.08 -1.11 0.00 0.00 175.55 174.30 3f40 s VAL 61 N 0.15 2.19 -0.22 0.71 1.01 -0.11 -4.97 120.40 119.17 3f40 s VAL 61 Ca -0.04 -1.36 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 3f40 s VAL 61 Cb -0.10 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3f40 s VAL 61 CO 0.01 0.17 0.75 -0.69 0.00 0.00 0.00 175.10 175.34 3f40 s VAL 62 N 1.18 4.92 -0.20 2.92 1.01 -1.26 -1.07 120.40 127.89 3f40 s VAL 62 Ca -0.04 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.43 3f40 s VAL 62 Cb -0.17 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3f40 s VAL 62 CO -0.08 0.01 0.04 1.41 0.00 0.00 0.00 175.10 176.48 3f40 n HIS 63 N 5.57 0.26 -3.68 5.22 8.25 0.47 -5.00 115.22 126.31 3f40 n HIS 63 Ca 0.03 0.07 -0.02 0.00 -0.26 0.00 0.00 57.72 57.53 3f40 n HIS 63 Cb 0.49 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.55 3f40 n HIS 63 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3f40 n LYS 64 N -3.08 0.11 -3.65 -0.41 5.02 -1.01 -5.00 118.16 110.14 3f40 n LYS 64 Ca -0.37 -0.47 -0.02 0.00 -2.02 0.00 0.00 58.31 55.44 3f40 n LYS 64 Cb 1.06 0.45 -0.03 0.00 -0.02 0.00 0.00 35.03 36.49 3f40 n LYS 64 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3f40 s PHE 66 N -4.51 -0.02 -0.12 2.13 0.40 0.26 -1.15 117.98 114.98 3f40 s PHE 66 Ca 0.05 0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.30 3f40 s PHE 66 Cb -0.00 0.50 0.04 0.00 0.51 0.00 0.00 43.02 44.07 3f40 s PHE 66 CO 0.04 -0.02 0.32 -1.83 0.70 0.00 0.00 175.22 174.43 3f40 s GLU 67 N -1.46 0.34 -0.33 0.44 -1.05 -1.26 -1.10 118.70 114.28 3f40 s GLU 67 Ca 0.10 0.52 0.02 0.00 -0.15 0.00 0.00 54.97 55.46 3f40 s GLU 67 Cb -0.01 0.09 0.15 0.00 -0.44 0.00 0.00 34.13 33.92 3f40 s GLU 67 CO -0.06 -0.09 0.35 -2.00 0.95 0.00 0.00 175.26 174.41 3f40 s GLU 68 N 0.58 0.50 7.67 -4.83 2.56 -0.31 -5.02 118.70 119.85 3f40 s GLU 68 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.97 54.41 3f40 s GLU 68 Cb -0.05 -0.67 0.00 0.00 2.00 0.00 0.00 34.13 35.41 3f40 s GLU 68 CO -0.03 -1.12 0.00 0.41 -0.56 0.00 0.00 175.26 173.95 3f40 n GLY 69 N 4.72 3.16 1.81 -1.50 0.00 -1.26 -1.68 105.19 110.44 3f40 n GLY 69 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3f40 n GLY 69 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3f40 n ASN 70 N 9.36 5.44 -4.58 1.61 0.23 -1.26 -4.86 115.26 121.19 3f40 n ASN 70 Ca 0.00 -2.79 -0.33 0.00 -0.53 0.00 0.00 54.58 50.93 3f40 n ASN 70 Cb 0.00 -0.66 -0.11 0.00 -2.08 0.00 0.00 39.78 36.93 3f40 n ASN 70 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3f40 s ASP 71 N -0.80 4.59 -0.07 0.53 1.01 -0.67 -0.43 116.67 120.83 3f40 s ASP 71 Ca 0.53 -0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.71 3f40 s ASP 71 Cb 0.39 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 43.24 3f40 s ASP 71 CO 0.18 0.30 -0.19 -0.69 0.21 0.00 0.00 175.17 174.99 3f40 s VAL 72 N -0.94 1.63 -0.15 -1.27 1.01 0.13 -1.17 120.40 119.65 3f40 s VAL 72 Ca 0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3f40 s VAL 72 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3f40 s VAL 72 CO 0.06 0.46 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 3f40 s LEU 74 N 0.49 2.93 -0.33 0.00 1.43 0.44 -0.57 118.68 123.07 3f40 s LEU 74 Ca -0.08 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3f40 s LEU 74 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3f40 s LEU 74 CO 0.04 0.30 0.18 -0.63 0.23 0.00 0.00 176.35 176.47 3f40 s ILE 75 N -0.45 4.76 0.04 -0.59 -1.09 -0.30 -0.43 121.20 123.15 3f40 s ILE 75 Ca 0.06 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 57.93 3f40 s ILE 75 Cb -0.12 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3f40 s ILE 75 CO 0.02 0.01 0.26 -0.72 -1.23 0.00 0.00 174.94 173.28 3f40 s TYR 76 N 1.63 -0.03 -0.10 3.97 -0.85 -0.68 -0.40 117.35 120.89 3f40 s TYR 76 Ca 0.05 -0.15 -0.16 0.00 -0.52 0.00 0.00 57.07 56.29 3f40 s TYR 76 Cb -0.17 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3f40 s TYR 76 CO 0.07 -0.48 0.40 -0.51 -1.52 0.00 0.00 175.55 173.51 3f40 s ASP 77 N -2.11 6.64 -0.19 -0.18 1.01 -0.23 -0.94 116.67 120.66 3f40 s ASP 77 Ca -0.04 0.75 -0.01 0.00 0.71 0.00 0.00 52.55 53.95 3f40 s ASP 77 Cb -0.01 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 3f40 s ASP 77 CO -0.04 0.12 -0.11 -0.63 0.21 0.00 0.00 175.17 174.72 3f40 s ILE 78 N 0.10 2.88 0.64 0.77 1.01 0.58 -0.94 121.20 126.25 3f40 s ILE 78 Ca 0.22 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 3f40 s ILE 78 Cb -0.15 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.11 3f40 s ILE 78 CO 0.09 0.48 0.93 0.21 0.00 0.00 0.00 174.94 176.66 3f40 s ASN 79 N 1.16 5.10 0.00 3.58 3.84 0.26 -0.82 114.94 128.05 3f40 s ASN 79 Ca 0.01 0.42 0.00 0.00 0.21 0.00 0.00 52.86 53.50 3f40 s ASN 79 Cb -0.14 -1.20 0.00 0.00 -0.55 0.00 0.00 41.25 39.36 3f40 s ASN 79 CO -0.04 -1.37 0.00 0.59 -2.79 0.00 0.00 177.10 173.49 3f40 n ASN 81 N -2.71 0.00 0.00 -4.21 4.13 -1.26 -2.55 115.26 108.65 3f40 n ASN 81 Ca 0.07 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.30 3f40 n ASN 81 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 3f40 n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f40 n GLY 82 N 1.13 0.20 3.52 7.41 0.00 -1.26 -5.03 105.19 111.16 3f40 n GLY 82 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3f40 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f40 s LYS 83 N -0.93 3.79 -0.21 1.61 1.02 -1.26 -5.07 119.74 118.69 3f40 s LYS 83 Ca 0.00 -0.41 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 3f40 s LYS 83 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3f40 s LYS 83 CO 0.00 -0.09 0.51 0.99 -0.92 0.00 0.00 175.35 175.84 3f40 s THR 84 N 1.39 5.10 -0.09 2.17 2.01 -1.26 -4.33 115.64 120.64 3f40 s THR 84 Ca 0.06 0.93 0.03 0.00 0.31 0.00 0.00 61.69 63.02 3f40 s THR 84 Cb -0.15 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3f40 s THR 84 CO 0.05 0.16 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.31 3f40 s ILE 85 N 1.76 1.73 -0.07 1.82 -1.09 -0.00 -4.95 121.20 120.40 3f40 s ILE 85 Ca 0.23 -0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 57.55 3f40 s ILE 85 Cb -0.15 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.19 3f40 s ILE 85 CO 0.09 0.49 0.91 0.00 -1.23 0.00 0.00 174.94 175.20 3f40 s ALA 86 N 0.45 3.33 0.14 9.38 0.00 -1.26 -0.31 121.76 133.49 3f40 s ALA 86 Ca -0.17 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3f40 s ALA 86 Cb -0.17 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3f40 s ALA 86 CO 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 175.76 175.48 3f40 s ALA 87 N 1.48 0.98 -0.10 0.00 0.00 -0.12 -4.65 121.76 119.35 3f40 s ALA 87 Ca 0.46 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3f40 s ALA 87 Cb -0.19 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3f40 s ALA 87 CO 0.20 -0.45 -0.21 0.45 0.00 0.00 0.00 175.76 175.76 3f40 s SER 88 N -3.08 2.79 -0.15 0.00 0.15 -0.66 -1.69 113.70 111.06 3f40 s SER 88 Ca 0.24 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3f40 s SER 88 Cb 0.07 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.11 3f40 s SER 88 CO 0.02 0.11 -0.19 -0.83 1.20 0.00 0.00 173.24 173.55 3f40 s GLY 89 N 0.52 1.40 -0.33 9.45 0.00 0.42 -0.61 107.32 118.18 3f40 s GLY 89 Ca -0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.41 3f40 s GLY 89 CO 0.06 0.00 0.12 -2.27 0.00 0.00 0.00 173.10 171.01 3f40 s LEU 90 N 0.83 4.25 -0.17 0.66 2.96 0.34 -0.42 118.68 127.13 3f40 s LEU 90 Ca -0.06 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.83 3f40 s LEU 90 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3f40 s LEU 90 CO -0.02 -0.29 0.02 -0.31 -1.32 0.00 0.00 176.35 174.43 3f40 s TYR 91 N 1.47 3.16 -0.10 5.38 1.51 0.72 -1.14 117.35 128.35 3f40 s TYR 91 Ca 0.01 -0.08 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 3f40 s TYR 91 Cb -0.19 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 3f40 s TYR 91 CO 0.04 0.08 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.96 3f40 s HIS 92 N 0.34 3.09 -0.01 2.71 2.46 -0.40 -0.69 115.29 122.79 3f40 s HIS 92 Ca 0.00 0.05 0.06 0.00 0.47 0.00 0.00 55.06 55.64 3f40 s HIS 92 Cb -0.13 -1.83 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 3f40 s HIS 92 CO 0.01 0.32 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.90 3f40 s LEU 93 N -0.53 2.04 -0.08 8.88 1.02 0.43 -0.28 118.68 130.16 3f40 s LEU 93 Ca 0.09 -0.35 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 3f40 s LEU 93 Cb -0.12 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.13 3f40 s LEU 93 CO 0.02 0.23 0.29 -1.61 0.02 0.00 0.00 176.35 175.30 3f40 s GLU 94 N -0.46 0.42 -1.45 1.70 2.02 -0.43 -4.72 118.70 115.77 3f40 s GLU 94 Ca 0.07 0.23 -0.11 0.00 0.02 0.00 0.00 54.97 55.19 3f40 s GLU 94 Cb -0.07 0.20 0.07 0.00 0.10 0.00 0.00 34.13 34.42 3f40 s GLU 94 CO -0.01 -0.08 0.73 1.63 0.02 0.00 0.00 175.26 177.56 3f40 n LYS 95 N 2.47 -4.56 -1.11 1.61 5.02 -1.26 -1.60 118.16 118.74 3f40 n LYS 95 Ca -0.15 0.60 -0.04 0.00 -2.02 0.00 0.00 58.31 56.70 3f40 n LYS 95 Cb 0.57 -5.42 -0.02 0.00 -0.02 0.00 0.00 35.03 30.15 3f40 n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f40 n GLY 96 N -1.46 0.66 3.12 0.72 0.00 -1.26 -5.02 105.19 101.95 3f40 n GLY 96 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3f40 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f40 s GLU 97 N -1.83 0.69 -0.16 1.61 2.02 -0.62 -4.99 118.70 115.41 3f40 s GLU 97 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 3f40 s GLU 97 Cb 0.00 -0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.00 3f40 s GLU 97 CO 0.00 0.01 0.99 0.42 0.02 0.00 0.00 175.26 176.70 3f40 s ILE 98 N -2.68 4.76 -0.09 -1.63 1.01 0.02 -1.32 121.20 121.28 3f40 s ILE 98 Ca 0.02 1.98 0.19 0.00 0.00 0.00 0.00 60.65 62.84 3f40 s ILE 98 Cb -0.01 -4.29 -0.29 0.00 0.01 0.00 0.00 42.46 37.88 3f40 s ILE 98 CO -0.03 -0.06 0.45 0.35 0.00 0.00 0.00 174.94 175.66 3f40 n THR 99 N 4.84 0.00 -3.49 2.92 -2.24 0.61 -0.96 114.28 115.97 3f40 n THR 99 Ca 0.09 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 3f40 n THR 99 Cb 0.48 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3f40 n THR 99 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f40 s SER 100 N -4.12 -0.56 -0.05 3.42 1.04 -1.18 -1.80 113.70 110.45 3f40 s SER 100 Ca -0.06 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3f40 s SER 100 Cb 0.13 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.82 3f40 s SER 100 CO 0.80 -0.80 -0.05 -0.22 0.98 0.00 0.00 173.24 173.96 3f40 s LEU 101 N -2.08 1.34 -0.20 2.42 2.96 -0.43 -1.27 118.68 121.41 3f40 s LEU 101 Ca -0.04 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3f40 s LEU 101 Cb -0.01 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.22 3f40 s LEU 101 CO -0.03 -0.05 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.79 3f40 s HIS 102 N 0.92 2.88 -0.07 5.38 3.76 -0.29 -0.98 115.29 126.90 3f40 s HIS 102 Ca -0.11 -1.63 0.02 0.00 -0.15 0.00 0.00 55.06 53.19 3f40 s HIS 102 Cb -0.14 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3f40 s HIS 102 CO 0.00 -0.78 -0.11 0.54 -0.85 0.00 0.00 174.74 173.54 3f40 s VAL 103 N 1.30 3.31 -0.17 -0.90 0.11 -0.15 -0.51 120.40 123.39 3f40 s VAL 103 Ca 0.03 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 3f40 s VAL 103 Cb -0.14 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.39 3f40 s VAL 103 CO -0.10 0.58 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.76 3f40 s TYR 104 N -0.60 2.76 -0.03 1.54 1.51 0.22 -4.08 117.35 118.67 3f40 s TYR 104 Ca 0.09 -1.38 -0.30 0.00 -1.01 0.00 0.00 57.07 54.47 3f40 s TYR 104 Cb -0.11 -1.90 0.11 0.00 -0.11 0.00 0.00 41.96 39.95 3f40 s TYR 104 CO 0.01 -0.66 1.12 -0.59 -1.11 0.00 0.00 175.55 174.32 3f40 s PHE 105 N 1.07 -0.14 -0.46 2.71 -0.71 -1.26 -1.66 117.98 117.52 3f40 s PHE 105 Ca -0.01 0.01 -0.23 0.00 -1.04 0.00 0.00 56.93 55.67 3f40 s PHE 105 Cb -0.14 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3f40 s PHE 105 CO -0.06 -0.42 0.77 0.34 -1.34 0.00 0.00 175.22 174.51 3f40 s ASP 106 N -2.64 6.37 0.00 1.98 2.15 -1.26 -4.80 116.67 118.48 3f40 s ASP 106 Ca 0.11 -0.23 0.26 0.00 0.43 0.00 0.00 52.55 53.11 3f40 s ASP 106 Cb 0.01 -2.37 1.22 0.00 -0.30 0.00 0.00 42.92 41.47 3f40 s ASP 106 CO -0.04 -0.93 1.82 -0.81 -0.17 0.00 0.00 175.17 175.05 3f40 n PRO 107 N 6.69 1.39 -0.30 4.34 -0.04 -1.26 -4.40 135.00 141.42 3f40 n PRO 107 Ca 0.01 -0.57 0.06 0.00 -0.04 0.00 0.00 63.50 62.96 3f40 n PRO 107 Cb 0.48 -1.43 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 3f40 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f40 h ARG 108 N 1.30 0.93 -0.02 0.54 3.08 -1.97 -0.18 114.38 118.05 3f40 h ARG 108 Ca 0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3f40 h ARG 108 Cb 0.28 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3f40 h ARG 108 CO 0.00 0.61 0.05 -1.35 -1.07 0.00 0.00 179.97 178.21 3f40 h PRO 109 N 0.95 0.00 0.00 0.04 0.11 -1.81 -1.45 132.00 129.84 3f40 h PRO 109 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3f40 h PRO 109 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3f40 h PRO 109 CO -0.17 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.90 3f40 n LEU 110 N -3.36 0.63 -0.18 2.35 4.77 -0.08 -3.10 117.00 118.03 3f40 n LEU 110 Ca -0.02 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3f40 n LEU 110 Cb 0.12 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3f40 n LEU 110 CO 0.22 -0.33 0.15 0.49 -1.33 0.00 0.00 177.39 176.59 3f40 n PHE 111 N -2.13 0.00 0.00 -1.77 3.72 -0.55 -5.18 117.46 111.55 3f40 n PHE 111 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3f40 n PHE 111 Cb 0.32 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 3f40 n PHE 111 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86