#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b7c h THR 3 N 0.00 1.22 -0.45 3.45 1.35 -2.00 -0.03 112.91 116.44 3b7c h THR 3 Ca 0.00 -0.95 -0.13 0.00 -0.55 0.00 0.00 66.41 64.78 3b7c h THR 3 Cb 0.00 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3b7c h THR 3 CO 0.00 0.31 -0.21 0.44 -0.25 0.00 0.00 175.52 175.81 3b7c h ASP 4 N 0.40 0.97 -0.25 5.36 3.32 -2.05 0.16 116.42 124.33 3b7c h ASP 4 Ca 0.08 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 3b7c h ASP 4 Cb 0.46 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3b7c h ASP 4 CO 0.03 1.15 -0.07 0.44 -1.72 0.00 0.00 179.24 179.07 3b7c h ASP 5 N 0.78 0.60 -0.23 6.45 3.32 -1.87 -0.98 116.42 124.49 3b7c h ASP 5 Ca 0.10 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 3b7c h ASP 5 Cb 0.79 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3b7c h ASP 5 CO 0.07 0.72 -0.57 0.40 -1.72 0.00 0.00 179.24 178.13 3b7c h ILE 6 N 0.58 1.29 -0.53 0.35 2.04 -0.61 -0.90 117.51 119.73 3b7c h ILE 6 Ca 0.11 -1.77 0.02 0.00 1.00 0.00 0.00 64.86 64.22 3b7c h ILE 6 Cb 0.47 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3b7c h ILE 6 CO 0.02 0.57 0.32 0.58 0.00 0.00 0.00 178.15 179.64 3b7c h VAL 7 N 0.55 1.06 -0.55 1.67 2.07 -0.85 -2.43 116.25 117.76 3b7c h VAL 7 Ca -0.01 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3b7c h VAL 7 Cb 1.19 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3b7c h VAL 7 CO 0.12 0.12 0.07 -0.61 0.02 0.00 0.00 177.57 177.29 3b7c h GLN 8 N 0.63 0.89 -0.22 1.57 5.75 -1.00 -0.11 115.11 122.62 3b7c h GLN 8 Ca 0.21 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 3b7c h GLN 8 Cb 0.02 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.39 3b7c h GLN 8 CO -0.09 0.84 -0.25 1.25 -2.65 0.00 0.00 178.83 177.92 3b7c h LEU 9 N 0.84 -0.80 -0.63 -2.39 6.46 -0.84 0.24 115.31 118.19 3b7c h LEU 9 Ca 0.17 0.14 -0.13 0.00 -0.12 0.00 0.00 57.88 57.94 3b7c h LEU 9 Cb 0.40 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3b7c h LEU 9 CO 0.01 -0.29 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.12 3b7c h LEU 10 N -0.27 0.72 -0.50 2.25 3.38 -1.15 -1.69 115.31 118.05 3b7c h LEU 10 Ca 0.13 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3b7c h LEU 10 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3b7c h LEU 10 CO -0.38 1.01 0.26 0.50 0.09 0.00 0.00 178.44 179.92 3b7c h LYS 11 N 0.57 0.71 -0.94 1.13 3.64 -0.77 -1.41 116.57 119.51 3b7c h LYS 11 Ca 0.06 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3b7c h LYS 11 Cb 0.88 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 3b7c h LYS 11 CO 0.08 0.58 0.62 0.78 -2.27 0.00 0.00 179.45 179.23 3b7c h GLY 12 N 0.67 1.36 0.85 5.01 0.00 -0.18 -1.46 103.07 109.32 3b7c h GLY 12 Ca 0.17 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3b7c h GLY 12 CO -0.02 0.40 0.03 1.46 0.00 0.00 0.00 176.54 178.41 3b7c h GLN 13 N 1.19 0.37 -0.44 4.80 4.20 -1.03 0.39 115.11 124.59 3b7c h GLN 13 Ca 0.37 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 59.07 3b7c h GLN 13 Cb 0.01 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.67 3b7c h GLN 13 CO -0.11 0.52 -0.03 0.93 -0.67 0.00 0.00 178.83 179.46 3b7c h GLU 14 N 0.16 0.07 -0.58 1.46 5.08 -0.93 -0.58 114.58 119.26 3b7c h GLU 14 Ca 0.07 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3b7c h GLU 14 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3b7c h GLU 14 CO 0.01 0.05 0.13 0.93 -1.00 0.00 0.00 179.01 179.13 3b7c h GLU 15 N 0.08 0.94 -0.13 2.33 5.08 -1.08 0.26 114.58 122.05 3b7c h GLU 15 Ca 0.22 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3b7c h GLU 15 Cb 0.32 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3b7c h GLU 15 CO -0.39 0.87 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 3b7c h ALA 16 N 1.03 0.18 -0.62 3.43 0.00 -0.62 -1.87 119.26 120.78 3b7c h ALA 16 Ca 0.18 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3b7c h ALA 16 Cb 0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3b7c h ALA 16 CO 0.00 -0.13 0.29 2.35 0.00 0.00 0.00 179.25 181.76 3b7c h TRP 17 N -0.02 0.51 0.00 0.00 2.91 -0.94 -0.36 115.95 118.05 3b7c h TRP 17 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3b7c h TRP 17 Cb 0.35 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 3b7c h TRP 17 CO 0.03 0.19 0.00 0.09 -1.03 0.00 0.00 178.44 177.72 3b7c n ASN 18 N -4.91 0.65 -0.90 2.65 3.02 0.06 -1.40 115.26 114.44 3b7c n ASN 18 Ca 0.08 0.64 0.10 0.00 -0.03 0.00 0.00 54.58 55.37 3b7c n ASN 18 Cb 0.23 -0.78 0.15 0.00 -0.61 0.00 0.00 39.78 38.77 3b7c n ASN 18 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3b7c n ARG 19 N -2.19 2.10 -1.50 3.52 1.85 -0.73 -4.98 116.66 114.72 3b7c n ARG 19 Ca 0.03 -1.96 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 3b7c n ARG 19 Cb 0.27 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 3b7c n ARG 19 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3b7c n GLY 20 N 1.14 0.45 3.22 2.89 0.00 -0.49 -5.02 105.19 107.38 3b7c n GLY 20 Ca 0.15 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3b7c n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b7c s ASP 21 N -2.94 6.10 0.31 1.61 -1.08 -0.20 -4.91 116.67 115.56 3b7c s ASP 21 Ca 0.00 -2.82 0.06 0.00 -0.52 0.00 0.00 52.55 49.27 3b7c s ASP 21 Cb 0.00 -2.05 0.51 0.00 -1.46 0.00 0.00 42.92 39.92 3b7c s ASP 21 CO 0.00 -0.47 1.75 -0.07 0.52 0.00 0.00 175.17 176.91 3b7c h LEU 22 N 7.38 0.32 -0.49 -1.34 3.38 -1.94 -1.56 115.31 121.07 3b7c h LEU 22 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3b7c h LEU 22 Cb 0.99 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3b7c h LEU 22 CO 0.74 0.62 0.09 0.44 0.09 0.00 0.00 178.44 180.41 3b7c h ASP 23 N 0.28 0.76 -0.50 -0.43 3.32 -1.97 -2.82 116.42 115.07 3b7c h ASP 23 Ca 0.04 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 3b7c h ASP 23 Cb 0.67 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3b7c h ASP 23 CO 0.05 0.82 -0.10 0.00 -1.72 0.00 0.00 179.24 178.29 3b7c h ALA 24 N 0.97 0.83 0.00 3.45 0.00 -1.90 -3.09 119.26 119.51 3b7c h ALA 24 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3b7c h ALA 24 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b7c h ALA 24 CO 0.01 0.66 0.00 0.98 0.00 0.00 0.00 179.25 180.90 3b7c n TYR 25 N -4.15 0.00 0.00 0.00 9.36 -0.61 -4.11 117.16 117.65 3b7c n TYR 25 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3b7c n TYR 25 Cb 0.39 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 3b7c n TYR 25 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3b7c n GLN 27 N 0.91 0.00 0.25 2.98 1.13 -1.17 -4.45 117.38 117.02 3b7c n GLN 27 Ca 0.00 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.22 3b7c n GLN 27 Cb 0.00 -0.57 0.69 0.00 0.11 0.00 0.00 30.24 30.47 3b7c n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3b7c h GLY 28 N 0.00 0.00 -5.21 1.08 0.00 -1.91 -3.45 103.07 93.58 3b7c h GLY 28 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 3b7c h GLY 28 CO 0.00 0.00 -0.52 -0.19 0.00 0.00 0.00 176.54 175.83 3b7c s TYR 29 N -3.63 3.47 0.06 5.60 2.02 -1.26 -0.77 117.35 122.85 3b7c s TYR 29 Ca 0.01 0.33 -0.33 0.00 -0.37 0.00 0.00 57.07 56.72 3b7c s TYR 29 Cb 0.09 -1.82 -0.12 0.00 -0.40 0.00 0.00 41.96 39.72 3b7c s TYR 29 CO 0.49 0.63 1.80 1.87 -1.57 0.00 0.00 175.55 178.76 3b7c n TRP 30 N 1.18 2.43 -2.79 2.71 -0.00 -0.03 -4.80 117.44 116.15 3b7c n TRP 30 Ca -0.13 -0.01 -0.43 0.00 -0.00 0.00 0.00 57.50 56.93 3b7c n TRP 30 Cb 0.53 -2.67 -0.01 0.00 -0.00 0.00 0.00 31.31 29.16 3b7c n TRP 30 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 3b7c s GLN 31 N 2.81 3.81 -0.12 5.87 0.74 -1.26 -4.63 119.66 126.88 3b7c s GLN 31 Ca 0.85 -1.90 -0.24 0.00 0.05 0.00 0.00 55.36 54.12 3b7c s GLN 31 Cb -0.60 -5.17 0.06 0.00 1.10 0.00 0.00 33.01 28.40 3b7c s GLN 31 CO 0.42 -1.96 0.59 1.21 -0.55 0.00 0.00 175.29 175.00 3b7c s ASN 32 N 3.81 -0.57 0.51 6.67 3.84 -1.26 -5.01 114.94 122.94 3b7c s ASN 32 Ca 0.42 0.83 0.25 0.00 0.21 0.00 0.00 52.86 54.57 3b7c s ASN 32 Cb -0.02 0.80 1.35 0.00 -0.55 0.00 0.00 41.25 42.83 3b7c s ASN 32 CO -0.04 -0.41 1.95 -0.33 -2.79 0.00 0.00 177.10 175.48 3b7c h GLU 33 N 4.06 0.09 -0.71 0.43 4.39 -1.94 -2.40 114.58 118.50 3b7c h GLU 33 Ca -0.28 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 3b7c h GLU 33 Cb 1.16 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 3b7c h GLU 33 CO 0.28 0.06 0.10 1.04 -1.16 0.00 0.00 179.01 179.32 3b7c n GLN 34 N -4.38 3.92 -0.13 2.33 1.13 -1.26 -1.73 117.38 117.25 3b7c n GLN 34 Ca 0.13 -2.64 -0.17 0.00 -1.94 0.00 0.00 57.00 52.38 3b7c n GLN 34 Cb 0.68 -2.13 0.16 0.00 0.11 0.00 0.00 30.24 29.07 3b7c n GLN 34 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3b7c n LEU 35 N 0.28 0.00 0.00 1.08 7.94 -0.94 -4.86 117.00 120.50 3b7c n LEU 35 Ca 0.28 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3b7c n LEU 35 Cb 1.13 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3b7c n LEU 35 CO 0.32 -2.25 0.00 0.18 -1.11 0.00 0.00 177.39 174.53 3b7c n LEU 37 N 0.00 0.00 -3.99 -1.96 7.99 0.37 -0.71 117.00 118.70 3b7c n LEU 37 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.83 3b7c n LEU 37 Cb 0.33 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.48 3b7c n LEU 37 CO 0.22 0.00 -0.46 -0.63 -1.51 0.00 0.00 177.39 175.01 3b7c s ILE 38 N -0.41 1.03 0.00 -0.08 1.09 0.59 -0.97 121.20 122.46 3b7c s ILE 38 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 3b7c s ILE 38 Cb 0.00 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.43 3b7c s ILE 38 CO 0.00 0.34 0.00 -1.54 -0.10 0.00 0.00 174.94 173.64 3b7c n SER 39 N 4.01 0.31 -0.21 3.58 3.41 -0.67 -1.12 113.62 122.94 3b7c n SER 39 Ca -0.22 -0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.05 3b7c n SER 39 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3b7c n SER 39 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3b7c h ASN 40 N 0.00 -1.36 0.00 4.04 4.21 -1.94 -3.37 115.58 117.16 3b7c h ASN 40 Ca 0.00 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.75 3b7c h ASN 40 Cb 0.00 0.64 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 3b7c h ASN 40 CO 0.00 -0.32 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 3b7c n GLY 41 N -1.42 -0.17 3.10 2.83 0.00 -1.26 -5.07 105.19 103.20 3b7c n GLY 41 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3b7c n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b7c s LYS 42 N -0.12 0.59 -0.04 1.61 0.00 -1.26 -5.15 119.74 115.36 3b7c s LYS 42 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 55.97 55.07 3b7c s LYS 42 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 37.83 38.02 3b7c s LYS 42 CO 0.00 -0.14 0.08 -0.06 0.00 0.00 0.00 175.35 175.24 3b7c s PHE 43 N -2.94 3.34 0.05 1.78 0.08 -1.26 -1.67 117.98 117.36 3b7c s PHE 43 Ca -0.02 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.31 3b7c s PHE 43 Cb 0.01 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3b7c s PHE 43 CO -0.06 0.58 -0.05 1.03 -0.10 0.00 0.00 175.22 176.62 3b7c s ARG 44 N -1.44 0.55 0.07 0.44 3.00 -0.14 -5.01 118.95 116.41 3b7c s ARG 44 Ca 0.20 -0.94 0.03 0.00 0.00 0.00 0.00 55.73 55.01 3b7c s ARG 44 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 34.95 34.76 3b7c s ARG 44 CO 0.10 -0.03 -0.08 0.54 0.00 0.00 0.00 175.30 175.82 3b7c s ASN 45 N -2.17 1.07 0.00 0.23 4.22 -1.26 -0.48 114.94 116.56 3b7c s ASN 45 Ca -0.03 -0.71 0.00 0.00 -2.14 0.00 0.00 52.86 49.98 3b7c s ASN 45 Cb -0.03 0.04 0.00 0.00 1.28 0.00 0.00 41.25 42.55 3b7c s ASN 45 CO -0.04 -0.27 0.00 0.61 -2.04 0.00 0.00 177.10 175.36 3b7c n GLY 46 N 0.93 2.23 0.11 0.45 0.00 0.11 -4.69 105.19 104.33 3b7c n GLY 46 Ca -0.19 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 3b7c n GLY 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3b7c h TRP 47 N 0.00 0.31 -0.50 1.61 7.01 -1.73 -1.81 115.95 120.84 3b7c h TRP 47 Ca 0.00 -0.15 0.04 0.00 2.11 0.00 0.00 58.89 60.89 3b7c h TRP 47 Cb 0.00 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 3b7c h TRP 47 CO 0.00 0.90 0.27 -0.44 -2.79 0.00 0.00 178.44 176.37 3b7c h ASP 48 N -0.37 0.40 -0.86 2.65 3.32 -1.92 -0.74 116.42 118.91 3b7c h ASP 48 Ca -0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3b7c h ASP 48 Cb 0.94 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 3b7c h ASP 48 CO 0.05 0.28 0.41 -0.33 -1.72 0.00 0.00 179.24 177.93 3b7c h GLU 49 N 0.53 1.24 -0.26 3.56 3.07 -1.83 -0.63 114.58 120.25 3b7c h GLU 49 Ca 0.21 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3b7c h GLU 49 Cb 0.09 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3b7c h GLU 49 CO -0.13 0.95 -0.08 1.15 -1.40 0.00 0.00 179.01 179.49 3b7c h THR 50 N 1.22 1.29 -0.61 1.13 2.02 -0.95 -1.15 112.91 115.85 3b7c h THR 50 Ca 0.29 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3b7c h THR 50 Cb 0.12 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3b7c h THR 50 CO -0.04 0.35 0.37 0.25 0.37 0.00 0.00 175.52 176.83 3b7c h LEU 51 N 0.27 0.60 -0.87 2.58 5.85 -1.00 -1.86 115.31 120.87 3b7c h LEU 51 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3b7c h LEU 51 Cb 0.57 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3b7c h LEU 51 CO 0.03 0.41 0.51 0.00 -0.34 0.00 0.00 178.44 179.06 3b7c h ALA 52 N 1.28 1.11 -0.39 1.25 0.00 -0.90 -2.02 119.26 119.57 3b7c h ALA 52 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3b7c h ALA 52 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3b7c h ALA 52 CO -0.11 0.57 0.18 0.00 0.00 0.00 0.00 179.25 179.89 3b7c h ALA 53 N 1.28 0.51 -0.69 0.00 0.00 -0.92 -1.43 119.26 118.00 3b7c h ALA 53 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3b7c h ALA 53 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3b7c h ALA 53 CO -0.06 0.08 0.22 1.88 0.00 0.00 0.00 179.25 181.38 3b7c h TYR 54 N 0.50 1.09 -0.58 0.00 0.05 -0.96 -0.99 116.97 116.08 3b7c h TYR 54 Ca 0.13 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3b7c h TYR 54 Cb 0.14 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3b7c h TYR 54 CO -0.01 0.86 0.06 0.87 -1.05 0.00 0.00 178.16 178.89 3b7c h LYS 55 N 1.02 0.95 -0.11 4.88 1.57 -1.14 0.37 116.57 124.12 3b7c h LYS 55 Ca 0.23 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3b7c h LYS 55 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3b7c h LYS 55 CO -0.01 0.90 -0.48 -0.22 -0.57 0.00 0.00 179.45 179.07 3b7c h LYS 56 N 0.89 0.27 0.00 3.15 1.63 -0.89 -3.11 116.57 118.50 3b7c h LYS 56 Ca 0.18 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 3b7c h LYS 56 Cb 0.44 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3b7c h LYS 56 CO 0.01 0.69 -0.78 -0.91 -3.45 0.00 0.00 179.45 175.02 3b7c h ASN 57 N 0.22 0.00 -2.09 4.20 2.35 -0.68 -3.39 115.58 116.18 3b7c h ASN 57 Ca 0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.20 3b7c h ASN 57 Cb 0.93 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.89 3b7c h ASN 57 CO 0.08 0.29 -0.92 -1.22 -1.65 0.00 0.00 177.43 174.00 3b7c n TYR 58 N -2.97 1.47 0.25 1.19 4.01 0.08 -4.93 117.16 116.27 3b7c n TYR 58 Ca -0.01 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 54.03 3b7c n TYR 58 Cb 0.67 -0.44 0.82 0.00 -0.31 0.00 0.00 39.34 40.08 3b7c n TYR 58 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3b7c h PRO 59 N 3.70 0.00 -5.17 -0.72 0.13 -1.76 -3.41 132.00 124.77 3b7c h PRO 59 Ca 0.12 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.59 3b7c h PRO 59 Cb 0.78 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.64 3b7c h PRO 59 CO 0.62 0.00 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.13 3b7c s ASP 60 N -6.32 4.08 0.50 1.44 1.01 -1.26 -5.01 116.67 111.12 3b7c s ASP 60 Ca -0.05 -0.37 0.20 0.00 0.71 0.00 0.00 52.55 53.04 3b7c s ASP 60 Cb 0.16 -1.66 1.25 0.00 1.01 0.00 0.00 42.92 43.68 3b7c s ASP 60 CO 0.59 0.08 2.01 0.07 0.21 0.00 0.00 175.17 178.13 3b7c h LYS 61 N 7.35 0.14 0.00 8.23 2.10 -1.92 -0.70 116.57 131.77 3b7c h LYS 61 Ca -0.34 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 3b7c h LYS 61 Cb 1.19 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3b7c h LYS 61 CO 0.59 0.09 0.00 0.93 -2.00 0.00 0.00 179.45 179.06 3b7c h GLU 62 N 0.14 0.00 0.00 0.07 3.07 -1.95 -2.61 114.58 113.30 3b7c h GLU 62 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3b7c h GLU 62 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3b7c h GLU 62 CO -0.03 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.45 3b7c n SER 63 N -2.83 0.84 -0.26 1.42 3.41 -0.27 -3.77 113.62 112.16 3b7c n SER 63 Ca -0.01 0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 59.13 3b7c n SER 63 Cb 0.18 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.38 3b7c n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b7c h LEU 64 N 0.00 0.85 0.00 1.04 3.38 -1.60 -3.49 115.31 115.49 3b7c h LEU 64 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3b7c h LEU 64 Cb 0.73 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3b7c h LEU 64 CO 0.00 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.80 3b7c n GLY 65 N -1.19 -1.52 3.65 0.83 0.00 -1.25 -4.86 105.19 100.87 3b7c n GLY 65 Ca 0.06 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 3b7c n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3b7c s GLU 66 N -1.38 4.10 -0.16 1.61 2.56 0.11 -4.71 118.70 120.84 3b7c s GLU 66 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.97 54.92 3b7c s GLU 66 Cb 0.00 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.52 3b7c s GLU 66 CO 0.00 -0.07 0.09 -1.17 -0.56 0.00 0.00 175.26 173.55 3b7c s LEU 67 N 1.42 4.03 -0.02 2.70 2.96 -1.26 -0.25 118.68 128.26 3b7c s LEU 67 Ca 0.15 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 3b7c s LEU 67 Cb -0.15 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3b7c s LEU 67 CO 0.07 0.27 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.61 3b7c s LYS 68 N -0.19 0.26 -0.09 1.98 2.47 -0.49 -4.88 119.74 118.81 3b7c s LYS 68 Ca 0.09 0.02 -0.05 0.00 -1.56 0.00 0.00 55.97 54.46 3b7c s LYS 68 Cb -0.12 -0.37 -0.04 0.00 -1.46 0.00 0.00 37.83 35.84 3b7c s LYS 68 CO 0.01 -0.07 0.11 -0.06 0.16 0.00 0.00 175.35 175.50 3b7c s PHE 69 N 0.62 3.48 -0.28 4.03 0.08 -1.26 -1.15 117.98 123.50 3b7c s PHE 69 Ca -0.06 0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.44 3b7c s PHE 69 Cb -0.09 -1.88 0.07 0.00 -0.57 0.00 0.00 43.02 40.55 3b7c s PHE 69 CO -0.01 0.66 -0.06 0.99 -0.10 0.00 0.00 175.22 176.70 3b7c s THR 70 N -1.04 2.25 -0.09 0.64 2.01 -0.10 -5.00 115.64 114.31 3b7c s THR 70 Ca 0.16 -1.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.06 3b7c s THR 70 Cb -0.12 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 3b7c s THR 70 CO 0.06 -0.18 1.06 -0.63 -0.69 0.00 0.00 174.62 174.23 3b7c s ILE 71 N 1.06 4.65 -0.12 1.82 1.01 -1.26 -0.83 121.20 127.52 3b7c s ILE 71 Ca -0.04 1.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.45 3b7c s ILE 71 Cb -0.20 -4.24 -0.26 0.00 0.01 0.00 0.00 42.46 37.77 3b7c s ILE 71 CO -0.06 0.01 0.38 0.50 0.00 0.00 0.00 174.94 175.77 3b7c h LYS 72 N 7.18 0.25 -2.40 2.79 3.64 -1.02 -3.48 116.57 123.53 3b7c h LYS 72 Ca -0.32 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.54 3b7c h LYS 72 Cb 1.15 0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.91 3b7c h LYS 72 CO 0.86 1.21 -0.06 -2.00 -2.27 0.00 0.00 179.45 177.18 3b7c s GLU 73 N -2.54 0.66 -0.15 1.90 2.12 -1.05 -5.01 118.70 114.63 3b7c s GLU 73 Ca -0.22 0.73 0.00 0.00 0.36 0.00 0.00 54.97 55.84 3b7c s GLU 73 Cb 0.06 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 3b7c s GLU 73 CO 0.76 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 175.67 3b7c s ILE 74 N 0.21 2.79 0.00 -3.70 1.01 -1.26 -0.58 121.20 119.67 3b7c s ILE 74 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3b7c s ILE 74 Cb -0.04 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3b7c s ILE 74 CO 0.01 0.51 0.00 1.17 0.00 0.00 0.00 174.94 176.63 3b7c n LYS 75 N 3.94 3.61 0.00 2.79 4.81 -1.26 -5.03 118.16 127.02 3b7c n LYS 75 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 3b7c n LYS 75 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 3b7c n LYS 75 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3b7c n LEU 77 N 0.00 0.00 0.00 3.14 4.77 0.07 -4.38 117.00 120.60 3b7c n LEU 77 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3b7c n LEU 77 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3b7c n LEU 77 CO 0.00 0.00 0.28 -1.54 -1.33 0.00 0.00 177.39 174.80 3b7c n SER 78 N -0.90 -1.34 0.00 -1.43 3.41 -0.93 -4.96 113.62 107.46 3b7c n SER 78 Ca 0.00 -2.14 0.04 0.00 -0.26 0.00 0.00 58.87 56.51 3b7c n SER 78 Cb 0.00 2.30 0.20 0.00 -0.26 0.00 0.00 64.21 66.45 3b7c n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3b7c n ASN 79 N -1.50 0.00 0.00 4.04 3.02 -1.26 -3.33 115.26 116.24 3b7c n ASN 79 Ca -0.04 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3b7c n ASN 79 Cb 0.40 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3b7c n ASN 79 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3b7c n TYR 80 N -1.32 0.00 -3.67 3.10 4.01 -1.26 -4.84 117.16 113.18 3b7c n TYR 80 Ca 0.04 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.90 57.65 3b7c n TYR 80 Cb 0.07 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.01 3b7c n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b7c s ALA 81 N -0.02 -1.45 0.00 -0.72 0.00 -1.21 -1.07 121.76 117.29 3b7c s ALA 81 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3b7c s ALA 81 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3b7c s ALA 81 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.47 3b7c n ALA 82 N 3.33 0.00 -3.56 0.00 0.00 0.07 -0.75 120.51 119.60 3b7c n ALA 82 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 3b7c n ALA 82 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 3b7c n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3b7c s VAL 84 N 1.18 -0.04 0.16 0.00 1.01 -0.20 -1.45 120.40 121.07 3b7c s VAL 84 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3b7c s VAL 84 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3b7c s VAL 84 CO 0.00 0.00 -0.20 0.68 0.00 0.00 0.00 175.10 175.58 3b7c s VAL 85 N 1.33 1.94 -0.10 2.92 -7.23 0.25 -0.17 120.40 119.34 3b7c s VAL 85 Ca -0.07 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3b7c s VAL 85 Cb -0.02 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3b7c s VAL 85 CO -0.12 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3b7c n GLY 86 N 0.42 -1.17 3.48 2.32 0.00 -0.57 -0.33 105.19 109.33 3b7c n GLY 86 Ca -0.14 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3b7c n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b7c s ARG 87 N -1.19 2.10 0.11 1.61 3.52 -0.01 -1.04 118.95 124.05 3b7c s ARG 87 Ca 0.00 -0.97 0.08 0.00 -0.13 0.00 0.00 55.73 54.71 3b7c s ARG 87 Cb 0.00 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 3b7c s ARG 87 CO 0.00 0.54 -0.15 1.67 -0.81 0.00 0.00 175.30 176.55 3b7c s TRP 88 N -0.95 2.62 -0.00 5.12 1.48 -0.03 -0.93 118.94 126.24 3b7c s TRP 88 Ca 0.15 -0.22 0.01 0.00 -1.06 0.00 0.00 56.10 54.98 3b7c s TRP 88 Cb -0.11 -1.39 -0.00 0.00 -1.16 0.00 0.00 33.47 30.81 3b7c s TRP 88 CO 0.06 0.39 -0.03 -0.51 -4.06 0.00 0.00 176.95 172.80 3b7c s ASP 89 N -2.11 0.37 -0.07 -2.66 1.01 -0.30 -1.53 116.67 111.37 3b7c s ASP 89 Ca 0.19 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.43 3b7c s ASP 89 Cb -0.11 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.78 3b7c s ASP 89 CO 0.11 0.03 -0.17 -0.76 0.21 0.00 0.00 175.17 174.59 3b7c s LEU 90 N -0.01 1.86 -0.27 1.23 1.43 -0.33 -1.39 118.68 121.19 3b7c s LEU 90 Ca 0.01 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 3b7c s LEU 90 Cb -0.02 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 3b7c s LEU 90 CO -0.00 0.10 0.16 -0.54 0.23 0.00 0.00 176.35 176.30 3b7c s LYS 91 N 0.41 3.89 0.06 1.70 3.01 0.66 -2.89 119.74 126.58 3b7c s LYS 91 Ca -0.14 -0.35 0.00 0.00 -1.01 0.00 0.00 55.97 54.48 3b7c s LYS 91 Cb -0.16 -3.58 -0.00 0.00 -1.01 0.00 0.00 37.83 33.09 3b7c s LYS 91 CO 0.05 -0.16 0.01 0.54 0.51 0.00 0.00 175.35 176.30 3b7c n ARG 92 N 4.97 1.17 -0.18 1.68 1.74 -0.75 0.07 116.66 125.37 3b7c n ARG 92 Ca -0.15 -0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 56.39 3b7c n ARG 92 Cb 0.52 0.20 0.01 0.00 -1.02 0.00 0.00 32.46 32.17 3b7c n ARG 92 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3b7c h LEU 93 N 0.00 0.91 -2.02 0.55 5.85 -1.96 -3.35 115.31 115.29 3b7c h LEU 93 Ca -0.04 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3b7c h LEU 93 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3b7c h LEU 93 CO 0.07 1.01 0.00 0.29 -0.34 0.00 0.00 178.44 179.47 3b7c n LYS 94 N -4.28 1.53 -3.81 1.25 5.02 -1.26 -5.07 118.16 111.54 3b7c n LYS 94 Ca 0.01 -1.01 -0.05 0.00 -2.02 0.00 0.00 58.31 55.24 3b7c n LYS 94 Cb 0.34 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 3b7c n LYS 94 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3b7c s ASP 95 N -0.51 -0.15 -0.45 4.39 -4.77 -1.26 -5.10 116.67 108.82 3b7c s ASP 95 Ca 0.00 -0.59 0.07 0.00 -3.30 0.00 0.00 52.55 48.73 3b7c s ASP 95 Cb 0.00 0.60 0.24 0.00 -1.09 0.00 0.00 42.92 42.66 3b7c s ASP 95 CO 0.00 -1.13 0.53 0.35 0.70 0.00 0.00 175.17 175.62 3b7c n THR 96 N -0.51 -0.18 -1.69 2.11 -2.24 -1.26 -1.81 114.28 108.70 3b7c n THR 96 Ca -0.05 -4.16 -0.41 0.00 -2.27 0.00 0.00 64.05 57.16 3b7c n THR 96 Cb 0.60 -1.95 0.01 0.00 -2.10 0.00 0.00 70.33 66.89 3b7c n THR 96 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3b7c n PRO 97 N 1.55 1.89 -4.09 -0.78 -0.02 -1.14 -4.75 135.00 127.66 3b7c n PRO 97 Ca 0.24 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3b7c n PRO 97 Cb 0.50 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 3b7c n PRO 97 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3b7c s THR 98 N -1.20 0.47 0.00 3.45 -1.32 -1.26 -1.18 115.64 114.60 3b7c s THR 98 Ca 0.61 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 3b7c s THR 98 Cb -0.52 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.46 3b7c s THR 98 CO 0.58 -0.64 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3b7c n GLY 99 N 0.82 1.25 3.43 6.08 0.00 -0.58 -4.72 105.19 111.47 3b7c n GLY 99 Ca -0.18 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 3b7c n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b7c s VAL 100 N -2.48 2.34 0.02 1.61 -7.23 -0.23 -0.85 120.40 113.58 3b7c s VAL 100 Ca 0.00 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 3b7c s VAL 100 Cb 0.00 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3b7c s VAL 100 CO 0.00 -0.28 -0.03 0.72 -0.31 0.00 0.00 175.10 175.20 3b7c s PHE 101 N -2.14 0.25 -0.05 2.82 -0.12 -0.20 -1.22 117.98 117.32 3b7c s PHE 101 Ca 0.25 -0.49 0.02 0.00 -0.05 0.00 0.00 56.93 56.65 3b7c s PHE 101 Cb -0.06 -0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.17 3b7c s PHE 101 CO 0.12 -0.17 -0.09 0.95 -0.05 0.00 0.00 175.22 175.98 3b7c s THR 102 N -1.35 0.86 0.06 -4.49 -4.23 -0.15 -1.51 115.64 104.84 3b7c s THR 102 Ca -0.15 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 3b7c s THR 102 Cb -0.09 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 3b7c s THR 102 CO -0.01 0.29 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.39 3b7c s LEU 103 N 0.73 2.20 -0.17 4.79 1.43 0.77 -0.47 118.68 127.96 3b7c s LEU 103 Ca -0.13 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 3b7c s LEU 103 Cb -0.15 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3b7c s LEU 103 CO 0.02 0.14 0.07 -0.22 0.23 0.00 0.00 176.35 176.60 3b7c s LEU 104 N -1.39 3.90 -0.07 1.79 2.96 -1.26 -1.03 118.68 123.58 3b7c s LEU 104 Ca 0.08 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3b7c s LEU 104 Cb -0.09 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3b7c s LEU 104 CO 0.03 0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.46 3b7c s VAL 105 N 0.11 1.19 0.08 1.68 1.01 -0.53 -0.87 120.40 123.05 3b7c s VAL 105 Ca 0.06 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3b7c s VAL 105 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3b7c s VAL 105 CO 0.00 0.37 -0.17 -1.61 0.00 0.00 0.00 175.10 173.69 3b7c s GLU 106 N 0.70 0.99 -0.55 2.72 2.02 0.02 -0.75 118.70 123.85 3b7c s GLU 106 Ca -0.14 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 53.65 3b7c s GLU 106 Cb -0.16 -1.10 0.06 0.00 0.10 0.00 0.00 34.13 33.04 3b7c s GLU 106 CO 0.03 0.26 0.75 0.21 0.02 0.00 0.00 175.26 176.53 3b7c s LYS 107 N -1.67 3.15 -0.14 1.61 2.20 -0.23 -1.45 119.74 123.21 3b7c s LYS 107 Ca 0.02 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 3b7c s LYS 107 Cb -0.10 -4.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.10 3b7c s LYS 107 CO 0.03 -1.41 -0.18 0.42 -0.36 0.00 0.00 175.35 173.84 3b7c s ILE 108 N 3.09 1.78 -1.36 5.43 1.01 -0.28 -4.68 121.20 126.19 3b7c s ILE 108 Ca 0.18 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3b7c s ILE 108 Cb -0.18 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3b7c s ILE 108 CO 0.12 0.50 1.00 0.47 0.00 0.00 0.00 174.94 177.02 3b7c n ASP 109 N 4.32 -3.99 -2.32 3.58 8.00 -1.26 -2.00 116.55 122.88 3b7c n ASP 109 Ca -0.19 -0.68 -0.13 0.00 0.71 0.00 0.00 54.79 54.50 3b7c n ASP 109 Cb 0.51 -4.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.04 3b7c n ASP 109 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3b7c n ASP 110 N -3.00 -4.00 -4.04 -2.24 8.00 -1.26 -4.97 116.55 105.04 3b7c n ASP 110 Ca -0.11 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 3b7c n ASP 110 Cb 0.60 -3.42 -0.14 0.00 -0.02 0.00 0.00 41.12 38.14 3b7c n ASP 110 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3b7c s ARG 111 N -4.82 0.65 -0.10 -1.24 3.52 -0.85 -5.12 118.95 110.99 3b7c s ARG 111 Ca 0.00 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 3b7c s ARG 111 Cb 0.00 -0.59 -0.01 0.00 -1.56 0.00 0.00 34.95 32.79 3b7c s ARG 111 CO 0.00 0.15 1.01 -1.58 -0.81 0.00 0.00 175.30 174.07 3b7c s TRP 112 N -0.58 3.51 0.04 5.12 0.52 -1.26 -1.12 118.94 125.17 3b7c s TRP 112 Ca -0.00 1.59 0.03 0.00 0.02 0.00 0.00 56.10 57.74 3b7c s TRP 112 Cb -0.05 -3.19 -0.02 0.00 -1.15 0.00 0.00 33.47 29.06 3b7c s TRP 112 CO 0.00 -0.23 -0.10 0.14 0.02 0.00 0.00 176.95 176.79 3b7c s VAL 113 N 2.01 0.76 -0.16 4.03 -7.23 -0.53 -4.95 120.40 114.33 3b7c s VAL 113 Ca 0.48 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 3b7c s VAL 113 Cb -0.18 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 3b7c s VAL 113 CO 0.18 -0.19 1.40 -0.63 -0.31 0.00 0.00 175.10 175.54 3b7c s ILE 114 N -1.06 4.04 -0.64 -0.62 1.01 0.05 -0.80 121.20 123.19 3b7c s ILE 114 Ca -0.04 1.24 0.16 0.00 0.00 0.00 0.00 60.65 62.01 3b7c s ILE 114 Cb -0.08 -3.86 0.62 0.00 0.01 0.00 0.00 42.46 39.15 3b7c s ILE 114 CO 0.01 -0.18 1.54 0.35 0.00 0.00 0.00 174.94 176.66 3b7c n THR 115 N 5.61 2.03 0.00 2.92 -2.24 -0.05 -0.85 114.28 121.70 3b7c n THR 115 Ca 0.15 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 3b7c n THR 115 Cb 0.45 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3b7c n THR 115 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3b7c n ASP 117 N 0.44 0.00 -4.35 3.42 -0.08 -1.26 -4.58 116.55 110.15 3b7c n ASP 117 Ca 0.23 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.10 3b7c n ASP 117 Cb 0.88 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.24 3b7c n ASP 117 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 3b7c s HIS 118 N 0.00 3.27 -0.08 -0.67 5.65 0.38 -0.30 115.29 123.54 3b7c s HIS 118 Ca 0.00 -1.11 0.04 0.00 0.25 0.00 0.00 55.06 54.24 3b7c s HIS 118 Cb 0.00 -2.60 -0.01 0.00 -1.18 0.00 0.00 32.58 28.78 3b7c s HIS 118 CO 0.00 -0.71 -0.21 -1.12 -0.65 0.00 0.00 174.74 172.05 3b7c s SER 119 N 1.75 3.43 0.15 9.88 0.01 -0.27 -0.98 113.70 127.68 3b7c s SER 119 Ca 0.02 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 3b7c s SER 119 Cb -0.20 -1.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.92 3b7c s SER 119 CO 0.05 0.23 0.20 -0.94 0.41 0.00 0.00 173.24 173.20 3b7c s SER 120 N -0.08 0.14 0.00 2.44 1.04 -0.35 -3.50 113.70 113.38 3b7c s SER 120 Ca -0.05 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3b7c s SER 120 Cb -0.14 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3b7c s SER 120 CO 0.04 -0.84 0.00 -0.90 0.98 0.00 0.00 173.24 172.53