#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ciq s ILE 1 N 0.00 -0.62 -0.33 2.02 2.07 -1.26 -5.13 121.20 117.94 3ciq s ILE 1 Ca 0.00 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.96 3ciq s ILE 1 Cb 0.00 -0.79 0.02 0.00 0.13 0.00 0.00 42.46 41.81 3ciq s ILE 1 CO 0.00 0.00 1.05 -1.58 -1.91 0.00 0.00 174.94 172.50 3ciq s GLN 2 N 2.90 4.02 0.02 3.50 2.00 -1.26 -4.84 119.66 126.00 3ciq s GLN 2 Ca 0.14 0.98 0.02 0.00 -2.00 0.00 0.00 55.36 54.50 3ciq s GLN 2 Cb -0.09 -3.75 -0.01 0.00 0.80 0.00 0.00 33.01 29.96 3ciq s GLN 2 CO -0.20 -0.92 -0.07 0.50 -0.50 0.00 0.00 175.29 174.09 3ciq s ARG 3 N 3.65 0.54 0.23 1.67 3.52 -1.26 -5.12 118.95 122.18 3ciq s ARG 3 Ca 0.44 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3ciq s ARG 3 Cb -0.12 -0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 32.73 3ciq s ARG 3 CO 0.16 0.11 1.37 -0.08 -0.81 0.00 0.00 175.30 176.05 3ciq s THR 4 N -0.65 2.94 0.51 4.11 -1.32 -1.26 -4.34 115.64 115.62 3ciq s THR 4 Ca -0.02 0.78 -0.21 0.00 -1.21 0.00 0.00 61.69 61.03 3ciq s THR 4 Cb -0.06 -3.50 -0.06 0.00 -1.51 0.00 0.00 72.50 67.37 3ciq s THR 4 CO 0.00 0.12 1.15 -2.16 -2.21 0.00 0.00 174.62 171.53 3ciq s PRO 5 N -0.29 3.52 0.01 7.08 0.04 -1.26 -4.92 135.00 139.18 3ciq s PRO 5 Ca 0.58 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 3ciq s PRO 5 Cb -0.39 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 3ciq s PRO 5 CO 0.41 -0.73 0.26 0.15 0.04 0.00 0.00 177.00 177.13 3ciq s LYS 6 N -3.01 3.57 -0.06 4.56 1.02 0.57 -4.96 119.74 121.43 3ciq s LYS 6 Ca 0.69 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.60 3ciq s LYS 6 Cb -0.27 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 3ciq s LYS 6 CO 0.31 0.65 -0.11 0.42 -0.92 0.00 0.00 175.35 175.70 3ciq s ILE 7 N -1.31 1.01 -0.16 2.17 1.01 -1.26 -1.95 121.20 120.71 3ciq s ILE 7 Ca 0.28 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3ciq s ILE 7 Cb -0.13 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 3ciq s ILE 7 CO 0.16 0.33 -0.13 -1.10 0.00 0.00 0.00 174.94 174.20 3ciq s GLN 8 N 0.66 3.26 -0.22 2.79 -1.52 0.06 -4.98 119.66 119.71 3ciq s GLN 8 Ca -0.13 -0.72 0.01 0.00 -1.95 0.00 0.00 55.36 52.57 3ciq s GLN 8 Cb -0.15 -2.69 0.03 0.00 -0.22 0.00 0.00 33.01 29.98 3ciq s GLN 8 CO 0.03 -0.00 -0.14 0.08 -0.25 0.00 0.00 175.29 175.00 3ciq s VAL 9 N 0.88 2.28 0.12 1.09 1.01 -1.26 -0.71 120.40 123.81 3ciq s VAL 9 Ca -0.03 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 3ciq s VAL 9 Cb -0.15 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3ciq s VAL 9 CO -0.01 0.31 0.33 -0.72 0.00 0.00 0.00 175.10 175.01 3ciq s TYR 10 N 1.25 -0.06 0.16 5.22 1.13 -0.91 -4.71 117.35 119.43 3ciq s TYR 10 Ca 0.00 -0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 55.26 3ciq s TYR 10 Cb -0.16 0.15 -0.07 0.00 -1.10 0.00 0.00 41.96 40.78 3ciq s TYR 10 CO -0.09 -0.66 0.49 -1.54 -2.51 0.00 0.00 175.55 171.24 3ciq s SER 11 N -2.83 6.67 0.09 -0.18 1.04 -1.26 0.09 113.70 117.31 3ciq s SER 11 Ca 0.05 0.89 -0.33 0.00 0.48 0.00 0.00 55.95 57.03 3ciq s SER 11 Cb 0.03 -2.21 -0.15 0.00 0.10 0.00 0.00 66.02 63.78 3ciq s SER 11 CO -0.11 0.05 1.60 -0.09 0.98 0.00 0.00 173.24 175.67 3ciq h ARG 12 N 3.14 -0.83 -6.20 4.02 9.65 -1.12 -3.44 114.38 119.59 3ciq h ARG 12 Ca -0.48 0.06 -0.50 0.00 -1.10 0.00 0.00 59.98 57.96 3ciq h ARG 12 Cb 1.18 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.91 3ciq h ARG 12 CO 0.68 -0.55 -0.48 -0.06 2.80 0.00 0.00 179.97 182.36 3ciq s PHE 13 N -5.97 2.98 0.44 2.20 0.40 -1.26 -5.02 117.98 111.75 3ciq s PHE 13 Ca -0.17 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 55.69 3ciq s PHE 13 Cb 0.05 -1.64 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 3ciq s PHE 13 CO 0.62 0.32 1.03 -0.35 0.70 0.00 0.00 175.22 177.54 3ciq n PRO 14 N -1.30 1.37 -1.63 0.24 -0.04 -1.26 -4.84 135.00 127.54 3ciq n PRO 14 Ca -0.04 0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 63.48 3ciq n PRO 14 Cb 0.59 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3ciq n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ciq n ALA 15 N -0.57 1.57 -4.06 0.55 0.00 -1.26 -4.97 120.51 111.77 3ciq n ALA 15 Ca 0.09 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 3ciq n ALA 15 Cb 0.40 -2.75 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 3ciq n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ciq s GLU 16 N 5.16 2.42 -0.42 0.00 0.41 -1.26 -5.09 118.70 119.92 3ciq s GLU 16 Ca 0.94 -0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 54.28 3ciq s GLU 16 Cb -0.44 -2.57 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 3ciq s GLU 16 CO 0.41 -0.38 1.74 -0.80 -0.49 0.00 0.00 175.26 175.74 3ciq s ASN 17 N 1.29 5.81 0.00 -0.19 0.01 -1.26 -2.57 114.94 118.03 3ciq s ASN 17 Ca -0.01 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 3ciq s ASN 17 Cb -0.16 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3ciq s ASN 17 CO -0.09 -1.84 0.00 0.61 -1.51 0.00 0.00 177.10 174.27 3ciq n GLY 18 N 5.43 2.16 3.84 0.66 0.00 0.05 -4.98 105.19 112.35 3ciq n GLY 18 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3ciq n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ciq s LYS 19 N -0.88 3.06 0.41 1.61 1.02 -1.06 -4.95 119.74 118.95 3ciq s LYS 19 Ca 0.00 -0.77 -0.24 0.00 0.02 0.00 0.00 55.97 54.98 3ciq s LYS 19 Cb 0.00 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 3ciq s LYS 19 CO 0.00 0.51 1.06 0.45 -0.92 0.00 0.00 175.35 176.45 3ciq s SER 20 N -3.05 6.68 0.32 2.83 0.15 -1.26 -3.94 113.70 115.42 3ciq s SER 20 Ca 0.32 2.06 -0.09 0.00 0.70 0.00 0.00 55.95 58.94 3ciq s SER 20 Cb -0.11 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3ciq s SER 20 CO 0.25 -0.55 0.59 -3.20 1.20 0.00 0.00 173.24 171.52 3ciq n ASN 21 N -0.16 -1.70 -4.23 5.45 2.85 0.15 -4.97 115.26 112.65 3ciq n ASN 21 Ca 0.05 -2.42 -0.25 0.00 -0.11 0.00 0.00 54.58 51.85 3ciq n ASN 21 Cb 0.50 2.89 -0.14 0.00 1.24 0.00 0.00 39.78 44.27 3ciq n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3ciq s PHE 22 N -3.28 1.76 -0.19 1.20 0.40 -1.26 -1.03 117.98 115.58 3ciq s PHE 22 Ca 0.17 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 3ciq s PHE 22 Cb -0.03 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 3ciq s PHE 22 CO 0.12 0.07 -0.01 -1.17 0.70 0.00 0.00 175.22 174.93 3ciq s LEU 23 N -1.04 3.27 -0.10 -0.37 2.96 -0.10 -0.44 118.68 122.86 3ciq s LEU 23 Ca 0.07 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3ciq s LEU 23 Cb -0.08 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3ciq s LEU 23 CO 0.01 0.09 0.05 0.20 -1.32 0.00 0.00 176.35 175.38 3ciq s ASN 24 N 0.83 5.60 -0.23 3.68 0.01 0.11 -2.32 114.94 122.62 3ciq s ASN 24 Ca 0.00 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 3ciq s ASN 24 Cb -0.14 -1.67 0.06 0.00 0.41 0.00 0.00 41.25 39.90 3ciq s ASN 24 CO 0.02 0.38 -0.03 0.00 -1.51 0.00 0.00 177.10 175.96 3ciq s TYR 26 N 1.47 3.25 -0.08 0.00 5.04 0.11 -0.50 117.35 126.64 3ciq s TYR 26 Ca -0.04 0.34 0.04 0.00 -2.44 0.00 0.00 57.07 54.97 3ciq s TYR 26 Cb -0.19 -2.50 -0.01 0.00 0.35 0.00 0.00 41.96 39.61 3ciq s TYR 26 CO -0.07 -0.18 -0.20 0.08 -1.34 0.00 0.00 175.55 173.84 3ciq s VAL 27 N 1.88 2.46 -0.01 3.14 1.01 -0.11 -0.76 120.40 128.00 3ciq s VAL 27 Ca 0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3ciq s VAL 27 Cb -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3ciq s VAL 27 CO 0.10 0.56 0.05 -0.94 0.00 0.00 0.00 175.10 174.87 3ciq s SER 28 N -0.09 -0.00 0.00 3.32 1.04 -0.82 -1.31 113.70 115.84 3ciq s SER 28 Ca -0.05 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3ciq s SER 28 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3ciq s SER 28 CO 0.04 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.77 3ciq n GLY 29 N 2.66 2.11 3.20 7.32 0.00 -0.92 -0.31 105.19 119.23 3ciq n GLY 29 Ca -0.15 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3ciq n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ciq s PHE 30 N -1.00 1.72 -0.29 1.61 0.40 -1.26 -1.55 117.98 117.60 3ciq s PHE 30 Ca 0.00 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3ciq s PHE 30 Cb 0.00 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.43 3ciq s PHE 30 CO 0.00 -0.03 0.08 0.72 0.70 0.00 0.00 175.22 176.70 3ciq n HIS 31 N 2.59 -3.50 0.08 0.36 8.25 -0.31 -4.77 115.22 117.92 3ciq n HIS 31 Ca -0.15 1.53 -0.12 0.00 -0.26 0.00 0.00 57.72 58.72 3ciq n HIS 31 Cb 0.53 -3.67 -0.06 0.00 1.12 0.00 0.00 29.99 27.91 3ciq n HIS 31 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ciq h PRO 32 N 2.98 -0.17 -5.37 -0.41 0.13 -1.92 -3.47 132.00 123.76 3ciq h PRO 32 Ca -0.01 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3ciq h PRO 32 Cb 0.26 0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.43 3ciq h PRO 32 CO 0.10 -0.12 -0.79 -1.13 -0.23 0.00 0.00 178.00 175.83 3ciq n SER 33 N -5.19 -3.49 -2.98 1.44 3.41 -1.26 -2.39 113.62 103.15 3ciq n SER 33 Ca -0.07 -0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.04 3ciq n SER 33 Cb 0.12 -1.05 0.03 0.00 -0.26 0.00 0.00 64.21 63.05 3ciq n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ciq n ASP 34 N -0.30 -6.15 -4.74 4.04 9.92 -1.26 -4.89 116.55 113.16 3ciq n ASP 34 Ca -0.11 -0.28 -0.42 0.00 -0.53 0.00 0.00 54.79 53.46 3ciq n ASP 34 Cb 0.46 -4.97 -0.02 0.00 -0.64 0.00 0.00 41.12 35.94 3ciq n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3ciq s ILE 35 N -3.18 2.51 -0.37 0.53 2.07 -1.01 -5.00 121.20 116.75 3ciq s ILE 35 Ca 0.29 0.42 -0.12 0.00 -1.41 0.00 0.00 60.65 59.82 3ciq s ILE 35 Cb -0.13 -3.27 0.02 0.00 0.13 0.00 0.00 42.46 39.21 3ciq s ILE 35 CO 0.36 0.06 0.23 -1.61 -1.91 0.00 0.00 174.94 172.07 3ciq s GLU 36 N -0.13 3.01 -0.13 3.50 2.02 -0.99 -4.99 118.70 120.99 3ciq s GLU 36 Ca 0.62 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.65 3ciq s GLU 36 Cb -0.44 -3.80 -0.01 0.00 0.10 0.00 0.00 34.13 29.99 3ciq s GLU 36 CO 0.42 -0.65 -0.15 0.08 0.02 0.00 0.00 175.26 174.98 3ciq s VAL 37 N 1.62 2.84 0.06 2.63 1.01 -1.26 -0.20 120.40 127.10 3ciq s VAL 37 Ca 0.04 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3ciq s VAL 37 Cb -0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3ciq s VAL 37 CO 0.08 0.53 -0.17 -1.81 0.00 0.00 0.00 175.10 173.72 3ciq s ASP 38 N 0.40 2.09 -0.15 3.32 1.01 0.35 -5.00 116.67 118.69 3ciq s ASP 38 Ca -0.12 -0.57 -0.06 0.00 0.71 0.00 0.00 52.55 52.51 3ciq s ASP 38 Cb -0.16 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 3ciq s ASP 38 CO 0.06 0.05 0.07 -0.76 0.21 0.00 0.00 175.17 174.79 3ciq s LEU 39 N -1.48 3.89 -0.07 1.23 1.43 -1.26 -0.16 118.68 122.26 3ciq s LEU 39 Ca 0.04 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3ciq s LEU 39 Cb -0.09 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3ciq s LEU 39 CO 0.02 0.26 -0.12 -0.76 0.23 0.00 0.00 176.35 175.99 3ciq s LEU 40 N -0.16 2.85 -0.34 1.79 1.43 0.47 -3.08 118.68 121.65 3ciq s LEU 40 Ca 0.07 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3ciq s LEU 40 Cb -0.12 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.58 3ciq s LEU 40 CO 0.01 0.32 0.06 -0.75 0.23 0.00 0.00 176.35 176.22 3ciq s LYS 41 N -0.56 1.97 0.00 1.70 2.20 -1.26 -2.06 119.74 121.74 3ciq s LYS 41 Ca 0.08 -1.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 3ciq s LYS 41 Cb -0.12 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3ciq s LYS 41 CO 0.02 -0.85 0.00 0.09 -0.36 0.00 0.00 175.35 174.25 3ciq n ASN 42 N 4.47 0.00 0.00 1.43 3.02 -0.50 -5.01 115.26 118.67 3ciq n ASN 42 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3ciq n ASN 42 Cb 0.42 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3ciq n ASN 42 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3ciq n ILE 46 N -0.79 0.00 -2.90 2.41 5.41 -1.18 -5.08 119.36 117.23 3ciq n ILE 46 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 3ciq n ILE 46 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 3ciq n ILE 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3ciq s GLU 47 N 0.00 2.64 -1.18 0.38 -1.05 -1.26 -4.52 118.70 113.71 3ciq s GLU 47 Ca 0.00 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 3ciq s GLU 47 Cb 0.00 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 3ciq s GLU 47 CO 0.00 -0.50 0.00 1.63 0.95 0.00 0.00 175.26 177.34 3ciq n LYS 48 N -2.06 -0.94 -2.30 -4.83 5.02 -1.26 -5.03 118.16 106.76 3ciq n LYS 48 Ca 0.09 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.78 3ciq n LYS 48 Cb 0.60 -4.88 -0.01 0.00 -0.02 0.00 0.00 35.03 30.72 3ciq n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3ciq s VAL 49 N -2.56 3.23 0.26 -0.18 -7.23 -1.26 -4.85 120.40 107.82 3ciq s VAL 49 Ca 0.00 0.80 0.09 0.00 -1.81 0.00 0.00 61.98 61.07 3ciq s VAL 49 Cb 0.00 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 3ciq s VAL 49 CO 0.00 -0.13 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.90 3ciq s GLU 50 N -3.14 1.55 0.02 4.82 2.02 0.46 -4.98 118.70 119.45 3ciq s GLU 50 Ca 0.70 -1.72 -0.03 0.00 0.02 0.00 0.00 54.97 53.93 3ciq s GLU 50 Cb -0.24 -1.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 3ciq s GLU 50 CO 0.28 0.21 0.04 -3.38 0.02 0.00 0.00 175.26 172.43 3ciq s HIS 51 N -2.77 0.20 1.02 1.61 -3.43 -1.26 -0.14 115.29 110.52 3ciq s HIS 51 Ca 0.27 -0.43 -0.14 0.00 -0.80 0.00 0.00 55.06 53.96 3ciq s HIS 51 Cb -0.01 -0.15 0.20 0.00 -1.43 0.00 0.00 32.58 31.18 3ciq s HIS 51 CO 0.12 -0.25 1.13 -1.54 -2.00 0.00 0.00 174.74 172.20 3ciq s SER 52 N -1.59 2.54 0.81 7.38 1.04 0.37 -5.00 113.70 119.25 3ciq s SER 52 Ca -0.13 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 3ciq s SER 52 Cb -0.07 -1.38 0.08 0.00 0.10 0.00 0.00 66.02 64.75 3ciq s SER 52 CO -0.01 -3.15 1.16 -1.81 0.98 0.00 0.00 173.24 170.42 3ciq s ASP 53 N -3.87 3.75 -0.14 7.02 1.01 -1.26 -4.69 116.67 118.48 3ciq s ASP 53 Ca 0.67 2.21 -0.23 0.00 0.71 0.00 0.00 52.55 55.91 3ciq s ASP 53 Cb -0.14 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 3ciq s ASP 53 CO 0.55 -2.56 0.70 -0.22 0.21 0.00 0.00 175.17 173.86 3ciq s LEU 54 N -5.83 4.22 -0.08 1.23 2.96 -1.26 -4.62 118.68 115.30 3ciq s LEU 54 Ca 0.69 1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 55.57 3ciq s LEU 54 Cb -0.25 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 3ciq s LEU 54 CO 0.52 -0.24 0.22 -0.44 -1.32 0.00 0.00 176.35 175.09 3ciq s SER 55 N 1.02 6.51 0.09 3.68 0.01 -0.23 -4.98 113.70 119.81 3ciq s SER 55 Ca 0.34 0.61 -0.11 0.00 1.31 0.00 0.00 55.95 58.11 3ciq s SER 55 Cb -0.17 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 63.95 3ciq s SER 55 CO 0.14 0.37 0.24 0.72 0.41 0.00 0.00 173.24 175.12 3ciq s PHE 56 N -1.07 0.05 0.48 2.43 -0.12 -1.26 -0.94 117.98 117.56 3ciq s PHE 56 Ca 0.19 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 3ciq s PHE 56 Cb -0.13 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3ciq s PHE 56 CO 0.08 -0.57 0.06 -1.54 -0.05 0.00 0.00 175.22 173.19 3ciq s SER 57 N -2.76 4.15 0.35 1.98 1.04 -0.79 -5.00 113.70 112.67 3ciq s SER 57 Ca 0.03 -1.51 0.15 0.00 0.48 0.00 0.00 55.95 55.11 3ciq s SER 57 Cb 0.04 0.23 1.07 0.00 0.10 0.00 0.00 66.02 67.46 3ciq s SER 57 CO -0.10 -0.77 1.69 0.11 0.98 0.00 0.00 173.24 175.15 3ciq h LYS 58 N 1.39 0.37 -0.21 4.02 1.57 -2.03 0.36 116.57 122.03 3ciq h LYS 58 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ciq h LYS 58 Cb 1.29 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ciq h LYS 58 CO 0.74 0.24 0.00 -0.40 -0.57 0.00 0.00 179.45 179.46 3ciq n ASP 59 N -4.91 1.25 -1.82 0.86 5.75 -1.26 -4.90 116.55 111.51 3ciq n ASP 59 Ca 0.30 -1.92 -0.17 0.00 -0.01 0.00 0.00 54.79 53.00 3ciq n ASP 59 Cb 0.95 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.89 3ciq n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3ciq n TRP 60 N 0.15 -0.70 -2.40 2.11 7.02 0.13 -4.70 117.44 119.05 3ciq n TRP 60 Ca 0.10 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.21 3ciq n TRP 60 Cb 0.21 -3.31 -0.02 0.00 -2.42 0.00 0.00 31.31 25.76 3ciq n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ciq s SER 61 N -2.32 6.45 0.06 -0.99 1.04 -1.26 -1.16 113.70 115.52 3ciq s SER 61 Ca 0.00 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 58.56 3ciq s SER 61 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 3ciq s SER 61 CO 0.00 -0.72 0.07 0.72 0.98 0.00 0.00 173.24 174.29 3ciq s PHE 62 N -1.61 0.34 0.07 5.02 -0.71 -0.59 -1.88 117.98 118.62 3ciq s PHE 62 Ca 0.61 -0.80 -0.04 0.00 -1.04 0.00 0.00 56.93 55.66 3ciq s PHE 62 Cb -0.25 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.30 3ciq s PHE 62 CO 0.31 -0.43 0.07 1.52 -1.34 0.00 0.00 175.22 175.35 3ciq s TYR 63 N -3.62 0.39 -0.27 3.49 -0.85 -0.11 -2.16 117.35 114.21 3ciq s TYR 63 Ca 0.04 -0.88 -0.26 0.00 -0.52 0.00 0.00 57.07 55.45 3ciq s TYR 63 Cb 0.05 -0.25 0.12 0.00 0.38 0.00 0.00 41.96 42.26 3ciq s TYR 63 CO -0.09 -0.46 1.03 -1.17 -1.52 0.00 0.00 175.55 173.33 3ciq s LEU 64 N -2.90 -0.44 -0.13 -3.49 2.96 -0.43 -1.06 118.68 113.19 3ciq s LEU 64 Ca 0.07 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3ciq s LEU 64 Cb 0.07 1.89 0.01 0.00 0.50 0.00 0.00 46.19 48.65 3ciq s LEU 64 CO -0.10 -0.17 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.33 3ciq s LEU 65 N 0.10 2.05 -0.09 -0.68 2.96 -1.26 -0.94 118.68 120.82 3ciq s LEU 65 Ca 0.03 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3ciq s LEU 65 Cb -0.05 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3ciq s LEU 65 CO -0.05 0.09 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.72 3ciq s TYR 66 N 0.72 3.04 0.04 5.38 1.51 0.34 -0.48 117.35 127.91 3ciq s TYR 66 Ca -0.10 0.05 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 3ciq s TYR 66 Cb -0.16 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3ciq s TYR 66 CO 0.01 0.34 0.37 1.52 -1.11 0.00 0.00 175.55 176.68 3ciq s TYR 67 N -0.68 -0.21 -0.00 2.71 1.13 0.80 0.47 117.35 121.58 3ciq s TYR 67 Ca 0.10 0.15 -0.17 0.00 -1.41 0.00 0.00 57.07 55.74 3ciq s TYR 67 Cb -0.12 0.17 0.03 0.00 -1.10 0.00 0.00 41.96 40.95 3ciq s TYR 67 CO 0.02 -0.54 0.37 -0.08 -2.51 0.00 0.00 175.55 172.81 3ciq s THR 68 N -2.44 0.05 0.24 -3.49 -1.32 -0.98 -0.40 115.64 107.30 3ciq s THR 68 Ca -0.06 -0.44 -0.23 0.00 -1.21 0.00 0.00 61.69 59.75 3ciq s THR 68 Cb -0.01 -0.74 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 3ciq s THR 68 CO -0.02 -0.24 0.81 -0.70 -2.21 0.00 0.00 174.62 172.25 3ciq s GLU 69 N -1.60 4.44 -0.02 7.08 2.12 -1.26 -0.92 118.70 128.54 3ciq s GLU 69 Ca -0.11 1.09 -0.29 0.00 0.36 0.00 0.00 54.97 56.02 3ciq s GLU 69 Cb -0.03 -2.96 0.10 0.00 0.26 0.00 0.00 34.13 31.50 3ciq s GLU 69 CO 0.03 0.41 0.91 -0.59 -0.54 0.00 0.00 175.26 175.48 3ciq s PHE 70 N -1.45 -0.33 -0.33 5.30 -0.71 -0.20 -4.94 117.98 115.32 3ciq s PHE 70 Ca 0.43 0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.55 3ciq s PHE 70 Cb -0.19 0.54 0.09 0.00 -1.21 0.00 0.00 43.02 42.25 3ciq s PHE 70 CO 0.23 -0.53 0.04 0.95 -1.34 0.00 0.00 175.22 174.58 3ciq s THR 71 N -3.08 2.36 0.44 -4.49 -4.23 -1.26 0.32 115.64 105.71 3ciq s THR 71 Ca 0.05 -2.21 -0.24 0.00 -1.18 0.00 0.00 61.69 58.11 3ciq s THR 71 Cb -0.01 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 3ciq s THR 71 CO -0.09 -0.52 1.21 -2.16 -0.54 0.00 0.00 174.62 172.52 3ciq s PRO 72 N 0.95 3.82 0.00 3.99 0.04 -1.25 -4.74 135.00 137.81 3ciq s PRO 72 Ca 0.08 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3ciq s PRO 72 Cb -0.19 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3ciq s PRO 72 CO -0.07 -0.53 0.00 0.25 0.04 0.00 0.00 177.00 176.68 3ciq n THR 73 N -0.26 0.00 0.03 1.26 -2.24 -1.26 -0.77 114.28 111.04 3ciq n THR 73 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 3ciq n THR 73 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 3ciq n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ciq h GLU 74 N 0.00 -0.17 -0.99 -0.78 4.39 -1.98 -3.38 114.58 111.67 3ciq h GLU 74 Ca 0.00 0.01 -0.50 0.00 0.34 0.00 0.00 59.36 59.21 3ciq h GLU 74 Cb 0.00 0.04 -0.30 0.00 -0.10 0.00 0.00 28.75 28.39 3ciq h GLU 74 CO 0.00 -0.11 0.63 1.63 -1.16 0.00 0.00 179.01 180.00 3ciq n LYS 75 N -4.71 2.34 -3.77 2.33 5.02 -1.26 -4.93 118.16 113.18 3ciq n LYS 75 Ca -0.02 -3.00 -0.36 0.00 -2.02 0.00 0.00 58.31 52.91 3ciq n LYS 75 Cb 0.07 -2.18 -0.09 0.00 -0.02 0.00 0.00 35.03 32.81 3ciq n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ciq s ASP 76 N -1.27 5.97 -0.20 4.39 1.01 -1.26 -5.07 116.67 120.24 3ciq s ASP 76 Ca 0.57 0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.90 3ciq s ASP 76 Cb 0.48 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 3ciq s ASP 76 CO 0.11 0.12 -0.03 -0.70 0.21 0.00 0.00 175.17 174.89 3ciq s GLU 77 N 0.72 3.54 0.07 8.23 2.12 -1.26 -4.90 118.70 127.22 3ciq s GLU 77 Ca 0.06 -0.56 0.09 0.00 0.36 0.00 0.00 54.97 54.93 3ciq s GLU 77 Cb -0.13 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 3ciq s GLU 77 CO 0.02 -0.00 -0.25 0.71 -0.54 0.00 0.00 175.26 175.20 3ciq s TYR 78 N 1.01 2.37 0.16 5.30 1.51 -1.26 -1.41 117.35 125.02 3ciq s TYR 78 Ca 0.01 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 3ciq s TYR 78 Cb -0.14 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 3ciq s TYR 78 CO 0.01 0.21 0.39 0.00 -1.11 0.00 0.00 175.55 175.05 3ciq s ALA 79 N -0.90 -0.61 -0.14 3.71 0.00 -0.87 -1.24 121.76 121.71 3ciq s ALA 79 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3ciq s ALA 79 Cb -0.10 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3ciq s ALA 79 CO 0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 175.76 174.96 3ciq s ARG 81 N 0.62 3.27 -0.09 0.00 3.52 0.78 -1.35 118.95 125.70 3ciq s ARG 81 Ca -0.09 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3ciq s ARG 81 Cb -0.16 -2.66 0.01 0.00 -1.56 0.00 0.00 34.95 30.58 3ciq s ARG 81 CO 0.03 0.32 -0.15 0.08 -0.81 0.00 0.00 175.30 174.77 3ciq s VAL 82 N 0.09 1.42 -0.16 7.11 1.01 -0.17 -0.50 120.40 129.19 3ciq s VAL 82 Ca -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3ciq s VAL 82 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3ciq s VAL 82 CO 0.04 0.42 -0.03 0.20 0.00 0.00 0.00 175.10 175.73 3ciq s ASN 83 N 0.73 4.79 0.06 3.32 0.01 0.72 -1.68 114.94 122.89 3ciq s ASN 83 Ca -0.12 -0.15 -0.09 0.00 -0.71 0.00 0.00 52.86 51.79 3ciq s ASN 83 Cb -0.16 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.72 3ciq s ASN 83 CO 0.03 0.15 0.19 -2.28 -1.51 0.00 0.00 177.10 173.68 3ciq s HIS 84 N 0.48 0.10 0.41 2.20 2.46 -1.26 -2.35 115.29 117.34 3ciq s HIS 84 Ca -0.03 -0.42 0.32 0.00 0.47 0.00 0.00 55.06 55.40 3ciq s HIS 84 Cb -0.14 -0.04 1.65 0.00 -0.13 0.00 0.00 32.58 33.91 3ciq s HIS 84 CO 0.03 -0.48 2.12 -0.39 -2.47 0.00 0.00 174.74 173.54 3ciq h VAL 85 N 3.12 0.34 -0.08 0.89 -1.51 -1.94 -2.32 116.25 114.75 3ciq h VAL 85 Ca -0.33 -0.41 -0.22 0.00 -1.23 0.00 0.00 66.70 64.51 3ciq h VAL 85 Cb 1.19 1.30 0.01 0.00 -2.13 0.00 0.00 31.29 31.66 3ciq h VAL 85 CO 0.52 0.07 -0.83 0.71 -1.23 0.00 0.00 177.57 176.81 3ciq h THR 86 N 0.00 1.33 -3.36 7.19 1.35 -1.97 -3.44 112.91 114.02 3ciq h THR 86 Ca -0.00 -2.15 -0.56 0.00 -0.55 0.00 0.00 66.41 63.16 3ciq h THR 86 Cb 0.29 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 3ciq h THR 86 CO 0.01 0.66 0.31 -0.76 -0.25 0.00 0.00 175.52 175.49 3ciq s LEU 87 N -8.10 4.30 0.16 3.87 1.43 -0.87 -4.94 118.68 114.52 3ciq s LEU 87 Ca -0.08 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 3ciq s LEU 87 Cb 0.09 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3ciq s LEU 87 CO 0.88 -0.27 1.36 0.77 0.23 0.00 0.00 176.35 179.32 3ciq h SER 88 N 6.93 0.27 -4.30 2.29 4.64 -1.87 -3.43 113.55 118.08 3ciq h SER 88 Ca -0.37 -0.22 -0.53 0.00 -0.47 0.00 0.00 61.79 60.20 3ciq h SER 88 Cb 1.19 -0.08 -0.27 0.00 -0.31 0.00 0.00 62.40 62.92 3ciq h SER 88 CO 0.78 1.04 -0.83 -1.10 -0.87 0.00 0.00 176.83 175.85 3ciq s GLN 89 N -3.16 1.29 -0.01 4.77 -0.21 -1.26 -5.11 119.66 115.97 3ciq s GLN 89 Ca -0.03 -0.72 -0.33 0.00 0.02 0.00 0.00 55.36 54.30 3ciq s GLN 89 Cb 0.10 -1.29 -0.11 0.00 1.00 0.00 0.00 33.01 32.70 3ciq s GLN 89 CO 0.83 0.34 1.86 -0.35 -2.12 0.00 0.00 175.29 175.86 3ciq n PRO 90 N 2.31 2.41 -2.80 2.91 -0.04 -1.26 -4.93 135.00 133.59 3ciq n PRO 90 Ca -0.16 0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 63.77 3ciq n PRO 90 Cb 0.54 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 3ciq n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3ciq s LYS 91 N 3.64 4.43 -0.14 0.54 2.20 -0.68 -4.83 119.74 124.90 3ciq s LYS 91 Ca 0.89 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 57.74 3ciq s LYS 91 Cb -0.61 -3.52 -0.00 0.00 -1.51 0.00 0.00 37.83 32.20 3ciq s LYS 91 CO 0.46 -0.20 -0.17 0.42 -0.36 0.00 0.00 175.35 175.51 3ciq s ILE 92 N 1.61 2.54 -0.17 5.43 1.01 -1.26 -1.00 121.20 129.36 3ciq s ILE 92 Ca 0.45 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3ciq s ILE 92 Cb -0.18 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.25 3ciq s ILE 92 CO 0.19 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.77 3ciq s VAL 93 N 0.70 2.04 0.63 2.92 1.01 -0.46 -4.97 120.40 122.27 3ciq s VAL 93 Ca -0.08 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 3ciq s VAL 93 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3ciq s VAL 93 CO 0.01 0.54 1.04 -0.54 0.00 0.00 0.00 175.10 176.15 3ciq s LYS 94 N 1.22 3.34 -0.14 2.72 1.02 -1.26 -1.28 119.74 125.36 3ciq s LYS 94 Ca 0.03 0.93 -0.13 0.00 0.02 0.00 0.00 55.97 56.81 3ciq s LYS 94 Cb -0.13 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3ciq s LYS 94 CO -0.11 -0.77 0.29 -0.46 -0.92 0.00 0.00 175.35 173.37 3ciq s TRP 95 N -2.94 3.50 -0.98 3.18 -0.00 -0.37 -4.83 118.94 116.49 3ciq s TRP 95 Ca 0.58 0.62 0.17 0.00 -0.00 0.00 0.00 56.10 57.47 3ciq s TRP 95 Cb -0.13 -2.29 0.60 0.00 -0.00 0.00 0.00 33.47 31.64 3ciq s TRP 95 CO 0.49 0.33 1.51 -0.40 -0.00 0.00 0.00 176.95 178.88 3ciq n ASP 96 N 3.24 4.17 0.00 5.86 5.75 -1.26 -4.75 116.55 129.57 3ciq n ASP 96 Ca -0.13 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 3ciq n ASP 96 Cb 0.52 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3ciq n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63