#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ima n LEU 3 N 0.00 -0.08 -4.74 0.00 4.32 -1.26 -2.38 117.00 112.86 3ima n LEU 3 Ca 0.00 0.22 -0.38 0.00 -0.02 0.00 0.00 56.01 55.82 3ima n LEU 3 Cb 0.00 -0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 41.68 3ima n LEU 3 CO 0.00 -0.15 0.20 -0.04 -1.22 0.00 0.00 177.39 176.18 3ima s MET 4 N -3.92 4.30 -1.22 3.23 -1.94 -1.26 -3.86 119.30 114.64 3ima s MET 4 Ca -0.01 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 3ima s MET 4 Cb 0.01 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.45 3ima s MET 4 CO 0.04 0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 3ima n GLY 5 N 2.96 1.25 3.94 -0.03 0.00 -1.26 -5.00 105.19 107.05 3ima n GLY 5 Ca -0.07 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3ima n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ima s GLY 6 N -2.88 1.65 -0.23 -0.02 0.00 -1.00 -4.60 107.32 100.24 3ima s GLY 6 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.61 3ima s GLY 6 CO 0.00 -0.68 0.41 -0.42 0.00 0.00 0.00 173.10 172.41 3ima s ILE 7 N -2.87 5.17 0.01 0.90 1.01 -1.26 -4.11 121.20 120.05 3ima s ILE 7 Ca 0.54 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.91 3ima s ILE 7 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3ima s ILE 7 CO 0.42 0.20 -0.10 0.68 0.00 0.00 0.00 174.94 176.14 3ima s VAL 8 N 1.68 0.77 0.46 2.92 -7.23 -0.35 -4.94 120.40 113.71 3ima s VAL 8 Ca 0.18 -0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.55 3ima s VAL 8 Cb -0.15 -0.67 -0.08 0.00 0.56 0.00 0.00 36.38 36.04 3ima s VAL 8 CO 0.09 0.10 1.12 -0.62 -0.31 0.00 0.00 175.10 175.48 3ima s ASP 9 N -0.54 6.25 0.00 4.85 -1.08 -1.26 -1.24 116.67 123.65 3ima s ASP 9 Ca 0.02 2.19 0.00 0.00 -0.52 0.00 0.00 52.55 54.23 3ima s ASP 9 Cb -0.05 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 3ima s ASP 9 CO 0.00 -0.86 0.00 -1.20 0.52 0.00 0.00 175.17 173.63 3ima n SER 16 N -0.58 1.57 0.00 -0.34 7.64 -1.26 -4.49 113.62 116.16 3ima n SER 16 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3ima n SER 16 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3ima n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ima n ALA 17 N -3.00 0.00 -0.03 -0.43 0.00 -1.26 -3.24 120.51 112.56 3ima n ALA 17 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3ima n ALA 17 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3ima n ALA 17 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3ima h GLU 18 N 0.00 0.65 0.00 0.00 4.11 -2.05 -2.50 114.58 114.79 3ima h GLU 18 Ca 0.00 -0.37 -0.05 0.00 0.07 0.00 0.00 59.36 59.02 3ima h GLU 18 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3ima h GLU 18 CO 0.00 0.98 -0.23 0.28 0.07 0.00 0.00 179.01 180.11 3ima h VAL 19 N 0.52 0.74 0.03 -1.06 2.07 -1.98 -1.22 116.25 115.34 3ima h VAL 19 Ca 0.03 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.44 3ima h VAL 19 Cb 1.01 1.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3ima h VAL 19 CO 0.09 0.22 -0.67 -0.08 0.02 0.00 0.00 177.57 177.16 3ima h GLU 20 N 0.00 0.40 -0.51 1.57 4.57 -1.75 -2.53 114.58 116.33 3ima h GLU 20 Ca -0.00 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 3ima h GLU 20 Cb 0.57 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3ima h GLU 20 CO 0.03 1.14 -0.09 1.05 -1.18 0.00 0.00 179.01 179.96 3ima h GLU 21 N -0.13 0.94 -0.68 1.92 4.11 -1.22 -2.10 114.58 117.41 3ima h GLU 21 Ca -0.09 -0.33 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 3ima h GLU 21 Cb 1.40 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3ima h GLU 21 CO 0.13 0.98 0.35 -0.07 0.07 0.00 0.00 179.01 180.48 3ima h LEU 22 N 0.84 0.85 -0.82 3.06 3.38 -1.27 0.43 115.31 121.77 3ima h LEU 22 Ca 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ima h LEU 22 Cb 0.63 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ima h LEU 22 CO 0.04 0.70 0.20 0.00 0.09 0.00 0.00 178.44 179.47 3ima h ALA 23 N 1.44 1.04 -0.24 1.53 0.00 -1.06 0.35 119.26 122.33 3ima h ALA 23 Ca 0.24 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3ima h ALA 23 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ima h ALA 23 CO -0.04 0.64 -0.50 0.00 0.00 0.00 0.00 179.25 179.35 3ima h ARG 24 N 1.03 0.77 -0.79 0.00 3.08 -0.62 -2.89 114.38 114.97 3ima h ARG 24 Ca 0.22 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.83 3ima h ARG 24 Cb 0.32 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 3ima h ARG 24 CO -0.00 1.13 0.51 0.35 -1.07 0.00 0.00 179.97 180.89 3ima h PHE 25 N 0.51 0.87 0.15 3.04 3.57 0.14 -0.08 116.94 125.15 3ima h PHE 25 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3ima h PHE 25 Cb 1.11 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3ima h PHE 25 CO 0.08 0.47 -0.07 0.00 -2.23 0.00 0.00 178.31 176.56 3ima h ALA 26 N 1.57 -0.20 -0.43 2.41 0.00 -0.74 0.17 119.26 122.04 3ima h ALA 26 Ca 0.33 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ima h ALA 26 Cb 0.21 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3ima h ALA 26 CO -0.11 -0.52 0.24 0.28 0.00 0.00 0.00 179.25 179.13 3ima h VAL 27 N -0.38 1.00 -0.32 0.00 2.07 -1.28 -0.78 116.25 116.56 3ima h VAL 27 Ca -0.02 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ima h VAL 27 Cb 0.30 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3ima h VAL 27 CO 0.03 0.09 0.12 0.44 0.02 0.00 0.00 177.57 178.27 3ima h ASP 28 N 0.47 0.45 -0.87 0.57 3.32 -0.86 -0.69 116.42 118.82 3ima h ASP 28 Ca 0.18 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ima h ASP 28 Cb 0.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3ima h ASP 28 CO -0.11 0.50 0.58 -0.08 -1.72 0.00 0.00 179.24 178.41 3ima h GLU 29 N 0.37 1.15 -0.33 3.56 4.57 -0.46 0.32 114.58 123.76 3ima h GLU 29 Ca 0.11 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3ima h GLU 29 Cb 0.20 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3ima h GLU 29 CO -0.01 0.76 -0.04 1.25 -1.18 0.00 0.00 179.01 179.79 3ima h HIS 30 N 1.18 0.67 -0.76 0.92 2.76 -0.82 -1.98 115.15 117.12 3ima h HIS 30 Ca 0.32 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3ima h HIS 30 Cb -0.14 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 3ima h HIS 30 CO 0.00 0.75 0.41 -0.91 -1.30 0.00 0.00 177.93 176.88 3ima h ASN 31 N 0.39 0.96 0.26 3.26 2.35 -0.54 -2.09 115.58 120.18 3ima h ASN 31 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3ima h ASN 31 Cb 0.52 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ima h ASN 31 CO 0.03 0.79 -0.13 0.11 -1.65 0.00 0.00 177.43 176.58 3ima h LYS 32 N 1.06 -0.34 0.00 0.81 1.57 -0.79 0.59 116.57 119.47 3ima h LYS 32 Ca 0.27 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3ima h LYS 32 Cb 0.05 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ima h LYS 32 CO -0.04 -0.18 -0.24 1.57 -0.57 0.00 0.00 179.45 179.99 3ima h LYS 33 N -0.43 0.00 -0.23 3.15 2.10 -1.36 -3.21 116.57 116.59 3ima h LYS 33 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3ima h LYS 33 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3ima h LYS 33 CO 0.06 0.24 0.00 0.39 -2.00 0.00 0.00 179.45 178.14 3ima n GLU 34 N -3.35 2.61 -3.77 0.07 1.02 -0.79 -4.99 120.64 111.45 3ima n GLU 34 Ca 0.01 -1.82 -0.25 0.00 -0.02 0.00 0.00 57.16 55.08 3ima n GLU 34 Cb 0.47 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 30.72 3ima n GLU 34 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ima n ASN 35 N 0.28 -2.79 -4.86 1.62 3.02 0.19 -4.99 115.26 107.73 3ima n ASN 35 Ca 0.08 -0.78 -0.21 0.00 -0.03 0.00 0.00 54.58 53.64 3ima n ASN 35 Cb 0.36 -4.08 -0.04 0.00 -0.61 0.00 0.00 39.78 35.42 3ima n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ima s ALA 36 N -3.51 3.95 -0.32 5.41 0.00 -0.15 -5.03 121.76 122.11 3ima s ALA 36 Ca 0.27 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.51 3ima s ALA 36 Cb -0.14 -1.03 0.46 0.00 0.00 0.00 0.00 23.12 22.41 3ima s ALA 36 CO 0.81 -0.14 1.15 1.28 0.00 0.00 0.00 175.76 178.86 3ima n LEU 37 N -1.47 4.25 -4.76 0.00 4.77 -1.26 -4.60 117.00 113.93 3ima n LEU 37 Ca 0.01 -4.58 -0.38 0.00 -0.03 0.00 0.00 56.01 51.03 3ima n LEU 37 Cb 0.61 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3ima n LEU 37 CO 0.43 1.97 0.93 -0.76 -1.33 0.00 0.00 177.39 178.63 3ima s LEU 38 N -3.59 4.03 -0.18 2.23 1.43 -1.26 -4.90 118.68 116.44 3ima s LEU 38 Ca 0.46 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 56.16 3ima s LEU 38 Cb 0.40 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.52 3ima s LEU 38 CO -0.02 -1.10 -0.17 -1.58 0.23 0.00 0.00 176.35 173.70 3ima s GLN 39 N -2.60 2.69 0.23 1.70 0.74 -0.76 -4.94 119.66 116.73 3ima s GLN 39 Ca 0.64 -0.84 -0.32 0.00 0.05 0.00 0.00 55.36 54.89 3ima s GLN 39 Cb -0.36 -2.51 -0.13 0.00 1.10 0.00 0.00 33.01 31.12 3ima s GLN 39 CO 0.44 -0.28 1.57 0.34 -0.55 0.00 0.00 175.29 176.82 3ima n PHE 40 N 4.63 2.54 -0.06 1.67 7.35 -1.26 0.13 117.46 132.46 3ima n PHE 40 Ca -0.19 0.25 -0.13 0.00 -0.76 0.00 0.00 57.45 56.62 3ima n PHE 40 Cb 0.49 -2.57 -0.05 0.00 0.35 0.00 0.00 39.48 37.70 3ima n PHE 40 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3ima n SER 41 N 2.83 1.16 0.00 -2.13 2.88 0.66 -4.77 113.62 114.25 3ima n SER 41 Ca 0.13 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 3ima n SER 41 Cb 0.33 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 3ima n SER 41 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3ima n ARG 42 N -3.49 0.00 -2.81 -1.46 1.85 -0.83 -4.99 116.66 104.93 3ima n ARG 42 Ca -0.25 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.17 3ima n ARG 42 Cb 0.68 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.06 3ima n ARG 42 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3ima s LEU 43 N 0.00 3.99 -0.04 2.89 2.96 -1.26 -0.52 118.68 126.69 3ima s LEU 43 Ca 0.00 0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 54.02 3ima s LEU 43 Cb 0.00 -3.23 -0.16 0.00 0.50 0.00 0.00 46.19 43.30 3ima s LEU 43 CO 0.00 -0.97 0.93 0.58 -1.32 0.00 0.00 176.35 175.57 3ima h VAL 44 N 5.97 0.82 -3.82 1.68 2.07 -1.24 -3.48 116.25 118.25 3ima h VAL 44 Ca -0.24 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 3ima h VAL 44 Cb 1.08 1.35 -0.14 0.00 -1.52 0.00 0.00 31.29 32.06 3ima h VAL 44 CO 1.01 0.20 -0.36 -0.75 0.02 0.00 0.00 177.57 177.69 3ima s LYS 45 N -3.62 0.89 -0.09 1.57 2.20 -1.14 -5.01 119.74 114.53 3ima s LYS 45 Ca -0.13 -0.99 -0.06 0.00 -0.36 0.00 0.00 55.97 54.43 3ima s LYS 45 Cb 0.01 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.71 3ima s LYS 45 CO 0.48 -0.29 0.22 0.00 -0.36 0.00 0.00 175.35 175.41 3ima s ALA 46 N -3.88 -0.52 0.12 3.13 0.00 -1.26 -1.57 121.76 117.78 3ima s ALA 46 Ca 0.07 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3ima s ALA 46 Cb 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3ima s ALA 46 CO -0.10 -0.14 -0.08 0.15 0.00 0.00 0.00 175.76 175.60 3ima s LYS 47 N 0.63 0.93 0.04 0.00 1.02 -0.83 -4.69 119.74 116.84 3ima s LYS 47 Ca -0.04 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.55 3ima s LYS 47 Cb -0.06 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 3ima s LYS 47 CO -0.04 0.01 -0.03 1.14 -0.92 0.00 0.00 175.35 175.52 3ima s GLN 48 N -3.81 0.48 -0.04 1.68 -2.07 -0.37 -1.37 119.66 114.17 3ima s GLN 48 Ca 0.14 -0.95 -0.03 0.00 -1.82 0.00 0.00 55.36 52.70 3ima s GLN 48 Cb 0.04 0.17 0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3ima s GLN 48 CO -0.02 -0.09 0.10 -1.14 -1.32 0.00 0.00 175.29 172.82 3ima s GLN 49 N -2.85 0.10 -0.18 9.60 0.74 0.08 -1.21 119.66 125.93 3ima s GLN 49 Ca -0.03 0.17 -0.25 0.00 0.05 0.00 0.00 55.36 55.30 3ima s GLN 49 Cb 0.00 0.00 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 3ima s GLN 49 CO -0.06 -0.04 0.81 0.08 -0.55 0.00 0.00 175.29 175.52 3ima s VAL 50 N 0.27 4.89 0.00 1.34 1.01 -1.26 0.43 120.40 127.08 3ima s VAL 50 Ca -0.02 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3ima s VAL 50 Cb -0.03 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3ima s VAL 50 CO -0.01 0.02 0.00 1.33 0.00 0.00 0.00 175.10 176.44 3ima n VAL 51 N 4.81 0.00 -2.67 2.92 0.24 -1.26 -4.47 118.33 117.90 3ima n VAL 51 Ca 0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.91 3ima n VAL 51 Cb 0.49 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 3ima n VAL 51 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ima s SER 52 N 1.00 6.77 0.00 -1.34 0.15 -1.26 -4.68 113.70 114.34 3ima s SER 52 Ca 0.00 -2.25 0.00 0.00 0.70 0.00 0.00 55.95 54.40 3ima s SER 52 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3ima s SER 52 CO 0.00 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.88 3ima n GLY 53 N 5.57 0.17 3.30 9.45 0.00 -1.26 -4.75 105.19 117.67 3ima n GLY 53 Ca 0.40 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 3ima n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ima s ILE 54 N 0.00 1.99 -0.23 -0.61 -1.09 0.09 -4.48 121.20 116.86 3ima s ILE 54 Ca 0.00 -1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 57.23 3ima s ILE 54 Cb 0.00 -1.67 0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3ima s ILE 54 CO 0.00 0.47 -0.08 -0.32 -1.23 0.00 0.00 174.94 173.77 3ima s MET 55 N -0.83 3.04 -0.15 2.79 -2.45 0.17 -0.13 119.30 121.72 3ima s MET 55 Ca 0.10 -0.84 -0.16 0.00 -1.25 0.00 0.00 55.69 53.55 3ima s MET 55 Cb -0.10 -2.91 -0.04 0.00 1.25 0.00 0.00 34.83 33.03 3ima s MET 55 CO 0.00 -0.30 0.37 -1.01 1.05 0.00 0.00 175.02 175.13 3ima s HIS 56 N 1.37 3.46 -0.65 4.11 3.76 -0.03 -0.74 115.29 126.56 3ima s HIS 56 Ca 0.03 0.69 -0.08 0.00 -0.15 0.00 0.00 55.06 55.56 3ima s HIS 56 Cb -0.15 -2.44 0.17 0.00 1.11 0.00 0.00 32.58 31.26 3ima s HIS 56 CO -0.06 0.17 0.51 -1.01 -0.85 0.00 0.00 174.74 173.51 3ima s HIS 57 N 0.67 3.52 -0.15 1.40 3.76 -0.47 -1.04 115.29 122.97 3ima s HIS 57 Ca 0.20 -2.31 -0.07 0.00 -0.15 0.00 0.00 55.06 52.74 3ima s HIS 57 Cb -0.14 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 3ima s HIS 57 CO 0.07 -0.92 0.10 -0.51 -0.85 0.00 0.00 174.74 172.62 3ima s LEU 58 N 0.34 4.08 -0.36 0.89 1.43 0.05 -1.96 118.68 123.15 3ima s LEU 58 Ca 0.15 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 3ima s LEU 58 Cb -0.19 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3ima s LEU 58 CO -0.04 0.30 0.23 -0.89 0.23 0.00 0.00 176.35 176.17 3ima s THR 59 N -0.35 5.01 -0.03 5.49 2.01 -0.61 -0.29 115.64 126.87 3ima s THR 59 Ca 0.10 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.69 3ima s THR 59 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 3ima s THR 59 CO 0.01 -0.10 -0.22 0.54 -0.69 0.00 0.00 174.62 174.16 3ima s VAL 60 N 1.66 2.37 -0.15 3.82 0.11 0.81 -0.66 120.40 128.36 3ima s VAL 60 Ca 0.05 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 57.98 3ima s VAL 60 Cb -0.18 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.77 3ima s VAL 60 CO 0.09 0.58 0.27 -0.70 -3.33 0.00 0.00 175.10 172.01 3ima s GLU 61 N -0.62 4.15 0.33 1.54 2.12 0.32 0.17 118.70 126.70 3ima s GLU 61 Ca 0.10 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.52 3ima s GLU 61 Cb -0.10 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3ima s GLU 61 CO -0.00 0.33 0.11 0.14 -0.54 0.00 0.00 175.26 175.30 3ima s VAL 62 N 0.20 0.68 -0.17 3.70 -7.23 0.08 -0.24 120.40 117.41 3ima s VAL 62 Ca 0.16 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3ima s VAL 62 Cb -0.13 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.26 3ima s VAL 62 CO 0.04 0.00 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.00 3ima s ILE 63 N -3.45 2.04 -0.03 -0.62 1.01 0.36 -0.78 121.20 119.72 3ima s ILE 63 Ca 0.33 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3ima s ILE 63 Cb 0.06 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.72 3ima s ILE 63 CO 0.15 0.54 0.03 -1.83 0.00 0.00 0.00 174.94 173.83 3ima s GLU 64 N 1.18 0.08 -1.11 2.79 -1.05 0.89 -1.83 118.70 119.65 3ima s GLU 64 Ca 0.02 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 3ima s GLU 64 Cb -0.14 -0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.14 3ima s GLU 64 CO -0.10 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.31 3ima n GLY 65 N 4.50 0.68 2.88 -3.83 0.00 -1.26 -1.93 105.19 106.23 3ima n GLY 65 Ca -0.20 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3ima n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ima n GLY 66 N -1.34 1.44 3.56 -0.02 0.00 -1.26 -5.01 105.19 102.56 3ima n GLY 66 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3ima n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ima s LYS 67 N -0.04 2.52 -0.09 1.61 1.02 -0.81 -5.09 119.74 118.86 3ima s LYS 67 Ca 0.00 -0.72 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 3ima s LYS 67 Cb 0.00 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 3ima s LYS 67 CO 0.00 0.61 0.68 0.15 -0.92 0.00 0.00 175.35 175.87 3ima s LYS 68 N -1.23 4.40 0.09 1.68 3.01 -1.26 -0.08 119.74 126.35 3ima s LYS 68 Ca 0.15 0.82 0.06 0.00 -1.01 0.00 0.00 55.97 56.00 3ima s LYS 68 Cb -0.11 -3.47 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 3ima s LYS 68 CO 0.05 0.02 -0.16 0.15 0.51 0.00 0.00 175.35 175.93 3ima s LYS 69 N 0.97 0.93 -0.14 1.68 -0.14 0.04 -4.95 119.74 118.13 3ima s LYS 69 Ca 0.36 -1.06 -0.05 0.00 -1.36 0.00 0.00 55.97 53.85 3ima s LYS 69 Cb -0.17 -0.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.98 3ima s LYS 69 CO 0.16 0.21 0.05 0.54 -0.76 0.00 0.00 175.35 175.55 3ima s VAL 70 N -1.44 4.69 0.22 3.17 0.11 -1.26 -0.74 120.40 125.15 3ima s VAL 70 Ca 0.02 -0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.08 3ima s VAL 70 Cb -0.09 -3.05 -0.05 0.00 -1.53 0.00 0.00 36.38 31.66 3ima s VAL 70 CO 0.03 0.54 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.86 3ima s TYR 71 N -0.27 1.92 -0.17 1.54 2.02 0.13 -2.30 117.35 120.22 3ima s TYR 71 Ca 0.08 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3ima s TYR 71 Cb -0.12 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 3ima s TYR 71 CO 0.02 0.47 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.35 3ima s GLU 72 N -3.49 3.28 0.15 -0.62 2.56 0.24 -0.13 118.70 120.69 3ima s GLU 72 Ca 0.24 -0.71 0.08 0.00 0.00 0.00 0.00 54.97 54.58 3ima s GLU 72 Cb -0.03 -2.71 -0.04 0.00 2.00 0.00 0.00 34.13 33.35 3ima s GLU 72 CO 0.09 0.00 -0.18 0.00 -0.56 0.00 0.00 175.26 174.61 3ima s ALA 73 N 0.88 1.91 -0.19 6.30 0.00 0.60 -1.71 121.76 129.55 3ima s ALA 73 Ca -0.03 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.51 3ima s ALA 73 Cb -0.15 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3ima s ALA 73 CO -0.00 0.24 -0.10 0.15 0.00 0.00 0.00 175.76 176.05 3ima s LYS 74 N -2.62 2.01 -0.25 0.00 1.02 -0.10 -0.77 119.74 119.02 3ima s LYS 74 Ca 0.13 -0.80 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3ima s LYS 74 Cb -0.06 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3ima s LYS 74 CO 0.06 -0.41 0.02 0.08 -0.92 0.00 0.00 175.35 174.18 3ima s VAL 75 N 1.42 3.76 -0.38 3.17 1.01 -0.21 0.12 120.40 129.29 3ima s VAL 75 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3ima s VAL 75 Cb -0.16 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3ima s VAL 75 CO -0.08 0.28 0.54 0.86 0.00 0.00 0.00 175.10 176.69 3ima s TRP 76 N 1.51 3.15 -0.23 5.22 -0.00 0.23 -0.85 118.94 127.97 3ima s TRP 76 Ca 0.05 0.05 -0.04 0.00 -0.00 0.00 0.00 56.10 56.16 3ima s TRP 76 Cb -0.16 -3.03 0.00 0.00 -0.00 0.00 0.00 33.47 30.29 3ima s TRP 76 CO 0.00 -0.64 -0.03 0.08 -0.00 0.00 0.00 176.95 176.35 3ima s VAL 77 N 2.47 3.33 -0.67 5.86 1.01 0.81 -0.31 120.40 132.91 3ima s VAL 77 Ca 0.19 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3ima s VAL 77 Cb -0.15 -2.57 0.17 0.00 0.00 0.00 0.00 36.38 33.82 3ima s VAL 77 CO 0.15 0.34 0.47 -1.10 0.00 0.00 0.00 175.10 174.96 3ima s GLN 78 N 1.45 2.53 0.40 2.72 -0.21 -0.16 -0.73 119.66 125.65 3ima s GLN 78 Ca 0.04 -2.90 0.18 0.00 0.02 0.00 0.00 55.36 52.70 3ima s GLN 78 Cb -0.15 -3.60 1.09 0.00 1.00 0.00 0.00 33.01 31.36 3ima s GLN 78 CO -0.03 -1.20 1.79 0.00 -2.12 0.00 0.00 175.29 173.73 3ima h ALA 79 N 6.29 2.23 0.00 6.09 0.00 -1.96 -1.11 119.26 130.79 3ima h ALA 79 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ima h ALA 79 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ima h ALA 79 CO 0.74 -0.60 0.00 -2.67 0.00 0.00 0.00 179.25 176.71 3ima n TRP 80 N -4.59 0.00 -1.17 0.00 2.14 -1.26 -1.77 117.44 110.78 3ima n TRP 80 Ca 0.24 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.81 3ima n TRP 80 Cb 0.84 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 31.29 3ima n TRP 80 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3ima n LEU 81 N -0.15 0.00 -4.16 5.67 4.77 -0.44 -4.99 117.00 117.70 3ima n LEU 81 Ca 0.00 -0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 3ima n LEU 81 Cb 0.10 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3ima n LEU 81 CO 0.00 0.08 -0.25 -3.20 -1.33 0.00 0.00 177.39 172.70 3ima n ASN 82 N 0.00 -0.74 -4.19 -1.43 5.15 -0.73 -4.91 115.26 108.41 3ima n ASN 82 Ca 0.00 -1.10 -0.31 0.00 -0.60 0.00 0.00 54.58 52.57 3ima n ASN 82 Cb 0.49 -2.49 -0.17 0.00 -0.53 0.00 0.00 39.78 37.08 3ima n ASN 82 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ima s SER 83 N -4.06 2.87 -0.05 1.20 0.15 -1.10 -5.04 113.70 107.67 3ima s SER 83 Ca 0.23 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 3ima s SER 83 Cb -0.13 -1.31 0.03 0.00 -1.71 0.00 0.00 66.02 62.90 3ima s SER 83 CO 0.94 0.14 0.04 -1.59 1.20 0.00 0.00 173.24 173.96 3ima s LYS 84 N 0.41 0.18 0.05 5.44 -2.85 -1.26 -0.99 119.74 120.72 3ima s LYS 84 Ca -0.18 0.27 0.09 0.00 -1.00 0.00 0.00 55.97 55.15 3ima s LYS 84 Cb -0.18 -0.69 -0.03 0.00 -2.06 0.00 0.00 37.83 34.87 3ima s LYS 84 CO 0.08 -0.32 -0.25 0.15 0.10 0.00 0.00 175.35 175.11 3ima s LYS 85 N 2.09 1.62 -0.36 1.78 1.02 0.58 -4.94 119.74 121.54 3ima s LYS 85 Ca 0.05 -1.08 -0.27 0.00 0.02 0.00 0.00 55.97 54.69 3ima s LYS 85 Cb -0.12 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.40 3ima s LYS 85 CO -0.04 0.46 1.01 -1.17 -0.92 0.00 0.00 175.35 174.69 3ima s LEU 86 N -1.30 3.93 -0.07 3.17 2.96 -1.26 0.78 118.68 126.90 3ima s LEU 86 Ca 0.10 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3ima s LEU 86 Cb -0.10 -3.40 -0.25 0.00 0.50 0.00 0.00 46.19 42.94 3ima s LEU 86 CO 0.02 -0.90 0.56 -0.74 -1.32 0.00 0.00 176.35 173.97 3ima h HIS 87 N 8.38 0.30 -2.15 5.38 -0.00 0.54 -3.47 115.15 124.12 3ima h HIS 87 Ca -0.22 -0.22 -0.06 0.00 -0.00 0.00 0.00 60.37 59.87 3ima h HIS 87 Cb 1.07 -0.01 -0.19 0.00 -0.00 0.00 0.00 27.41 28.28 3ima h HIS 87 CO 0.85 1.43 0.15 -2.00 -0.00 0.00 0.00 177.93 178.36 3ima s GLU 88 N -2.58 1.04 -0.26 5.26 2.12 -1.09 -4.95 118.70 118.24 3ima s GLU 88 Ca -0.14 0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 3ima s GLU 88 Cb 0.07 0.49 0.12 0.00 0.26 0.00 0.00 34.13 35.07 3ima s GLU 88 CO 0.80 -0.33 0.55 0.12 -0.54 0.00 0.00 175.26 175.86 3ima s PHE 89 N -1.37 -1.15 0.16 5.30 5.36 -1.26 -0.93 117.98 124.10 3ima s PHE 89 Ca -0.10 1.91 -0.24 0.00 -0.96 0.00 0.00 56.93 57.54 3ima s PHE 89 Cb -0.00 0.57 0.07 0.00 -0.34 0.00 0.00 43.02 43.31 3ima s PHE 89 CO 0.08 -0.62 0.69 -1.54 -1.46 0.00 0.00 175.22 172.36 3ima s SER 90 N 2.77 -0.46 0.56 6.13 1.04 -0.69 -5.00 113.70 118.05 3ima s SER 90 Ca -0.01 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 3ima s SER 90 Cb -0.12 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3ima s SER 90 CO -0.17 -0.98 1.09 -2.16 0.98 0.00 0.00 173.24 172.00 3ima s PRO 91 N -3.66 3.35 0.00 4.02 0.04 -1.26 0.80 135.00 138.28 3ima s PRO 91 Ca 0.04 1.43 0.14 0.00 0.04 0.00 0.00 61.00 62.65 3ima s PRO 91 Cb -0.02 -2.02 0.84 0.00 0.04 0.00 0.00 34.50 33.34 3ima s PRO 91 CO -0.08 -0.82 1.26 -0.89 0.04 0.00 0.00 177.00 176.52