#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1utd n ASN 6 N 0.00 0.97 -4.41 3.42 2.85 -1.26 -5.05 115.26 111.77 1utd n ASN 6 Ca 0.00 -0.76 -0.32 0.00 -0.11 0.00 0.00 54.58 53.38 1utd n ASN 6 Cb 0.00 0.36 0.14 0.00 1.24 0.00 0.00 39.78 41.52 1utd n ASN 6 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1utd n SER 7 N -1.00 -1.91 -4.68 1.20 7.64 -1.26 -5.00 113.62 108.60 1utd n SER 7 Ca 0.08 0.23 -0.30 0.00 1.01 0.00 0.00 58.87 59.89 1utd n SER 7 Cb 0.36 -1.18 0.15 0.00 -1.01 0.00 0.00 64.21 62.52 1utd n SER 7 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1utd s ASP 8 N -2.05 3.19 0.16 6.43 1.01 -1.26 -4.85 116.67 119.30 1utd s ASP 8 Ca 0.58 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.58 1utd s ASP 8 Cb -0.20 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1utd s ASP 8 CO 0.66 -2.85 0.04 0.72 0.21 0.00 0.00 175.17 173.95 1utd s PHE 9 N -2.79 1.07 0.01 4.23 -0.71 -1.26 -1.75 117.98 116.78 1utd s PHE 9 Ca 0.64 -1.15 0.07 0.00 -1.04 0.00 0.00 56.93 55.46 1utd s PHE 9 Cb -0.20 -0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 40.99 1utd s PHE 9 CO 0.58 -0.38 -0.21 0.08 -1.34 0.00 0.00 175.22 173.95 1utd s VAL 10 N -3.87 1.68 -0.18 -2.49 1.01 0.36 -4.61 120.40 112.31 1utd s VAL 10 Ca 0.26 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1utd s VAL 10 Cb 0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1utd s VAL 10 CO 0.04 0.35 0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1utd s VAL 11 N -0.64 4.30 -0.15 2.92 1.01 -0.32 -1.16 120.40 126.37 1utd s VAL 11 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1utd s VAL 11 Cb -0.08 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1utd s VAL 11 CO 0.00 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 1utd s ILE 12 N 0.54 1.66 -0.23 2.22 1.09 0.21 -1.56 121.20 125.14 1utd s ILE 12 Ca 0.00 -0.70 -0.06 0.00 -1.10 0.00 0.00 60.65 58.80 1utd s ILE 12 Cb -0.14 -1.54 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 1utd s ILE 12 CO 0.02 0.47 0.01 -0.75 -0.10 0.00 0.00 174.94 174.60 1utd s LYS 13 N 1.37 3.53 0.04 2.79 2.20 -0.10 -0.30 119.74 129.28 1utd s LYS 13 Ca 0.03 -0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 1utd s LYS 13 Cb -0.13 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1utd s LYS 13 CO -0.10 -0.17 1.49 0.00 -0.36 0.00 0.00 175.35 176.21 1utd s ALA 14 N 1.50 3.62 -2.60 3.13 0.00 -0.64 -0.86 121.76 125.91 1utd s ALA 14 Ca 0.06 1.04 0.24 0.00 0.00 0.00 0.00 51.96 53.29 1utd s ALA 14 Cb -0.15 -3.62 0.54 0.00 0.00 0.00 0.00 23.12 19.89 1utd s ALA 14 CO 0.00 -0.94 1.46 1.28 0.00 0.00 0.00 175.76 177.56 1utd n LEU 15 N 5.24 2.56 -3.70 0.00 4.77 0.01 -0.61 117.00 125.27 1utd n LEU 15 Ca 0.14 -0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 55.04 1utd n LEU 15 Cb 0.42 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1utd n LEU 15 CO 0.60 0.49 0.31 -1.83 -1.33 0.00 0.00 177.39 175.64 1utd s GLU 16 N -1.81 1.41 0.68 3.23 -1.05 -1.24 -4.89 118.70 115.04 1utd s GLU 16 Ca 0.34 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 54.18 1utd s GLU 16 Cb 0.20 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.45 1utd s GLU 16 CO 0.30 -0.61 1.25 -0.51 0.95 0.00 0.00 175.26 176.65 1utd s ASP 17 N -2.86 4.45 -0.09 0.83 1.01 -1.26 -3.26 116.67 115.49 1utd s ASP 17 Ca 0.08 2.50 0.00 0.00 0.71 0.00 0.00 52.55 55.84 1utd s ASP 17 Cb -0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1utd s ASP 17 CO -0.03 -2.10 0.00 0.61 0.21 0.00 0.00 175.17 173.86 1utd n GLY 18 N 0.67 0.48 3.76 0.21 0.00 -1.04 -4.87 105.19 104.40 1utd n GLY 18 Ca 0.15 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1utd n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1utd s VAL 19 N -2.00 2.20 -0.18 1.61 1.01 -0.81 -4.83 120.40 117.40 1utd s VAL 19 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1utd s VAL 19 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1utd s VAL 19 CO 0.00 0.03 -0.06 0.20 0.00 0.00 0.00 175.10 175.27 1utd s ASN 20 N 0.25 4.35 -0.29 3.32 0.01 -0.17 -0.44 114.94 121.96 1utd s ASN 20 Ca 0.59 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 52.32 1utd s ASN 20 Cb -0.46 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1utd s ASN 20 CO 0.51 0.08 0.20 -0.69 -1.51 0.00 0.00 177.10 175.69 1utd s VAL 21 N 0.91 5.28 -0.15 1.60 1.01 0.17 -1.43 120.40 127.79 1utd s VAL 21 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1utd s VAL 21 Cb -0.15 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1utd s VAL 21 CO 0.01 0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.52 1utd s ILE 22 N 1.75 2.73 -0.17 2.22 1.01 0.96 -0.38 121.20 129.32 1utd s ILE 22 Ca 0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1utd s ILE 22 Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1utd s ILE 22 CO 0.11 0.52 0.42 -0.83 0.00 0.00 0.00 174.94 175.15 1utd s GLY 23 N 0.72 2.19 -0.04 6.18 0.00 -0.55 -0.48 107.32 115.35 1utd s GLY 23 Ca -0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 1utd s GLY 23 CO 0.01 0.78 0.42 1.08 0.00 0.00 0.00 173.10 175.39 1utd s LEU 24 N 1.03 4.41 0.29 0.66 1.02 0.07 -1.10 118.68 125.06 1utd s LEU 24 Ca 0.21 0.89 -0.29 0.00 0.02 0.00 0.00 54.13 54.96 1utd s LEU 24 Cb -0.15 -2.60 -0.10 0.00 0.02 0.00 0.00 46.19 43.36 1utd s LEU 24 CO 0.08 0.22 1.43 0.42 0.02 0.00 0.00 176.35 178.53 1utd s THR 25 N -0.51 2.54 0.38 5.49 -4.23 -0.15 -2.40 115.64 116.76 1utd s THR 25 Ca 0.24 0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 60.97 1utd s THR 25 Cb -0.16 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 1utd s THR 25 CO 0.12 0.09 1.13 -0.60 -0.54 0.00 0.00 174.62 174.81 1utd s ARG 26 N -0.92 4.16 0.00 3.99 3.52 -0.69 -4.61 118.95 124.40 1utd s ARG 26 Ca 0.57 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.90 1utd s ARG 26 Cb -0.43 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1utd s ARG 26 CO 0.48 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.18 1utd n GLY 27 N 0.62 0.72 0.35 8.12 0.00 -1.26 -4.75 105.19 108.98 1utd n GLY 27 Ca 0.04 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.98 1utd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1utd h ALA 28 N 0.00 2.17 -2.67 4.61 0.00 -2.05 -3.42 119.26 117.90 1utd h ALA 28 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1utd h ALA 28 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1utd h ALA 28 CO 0.00 -0.29 -0.31 0.34 0.00 0.00 0.00 179.25 178.98 1utd s ASP 29 N -6.35 6.62 -0.21 0.00 2.15 -1.26 -5.09 116.67 112.53 1utd s ASP 29 Ca -0.06 0.74 0.01 0.00 0.43 0.00 0.00 52.55 53.67 1utd s ASP 29 Cb 0.19 -2.17 0.04 0.00 -0.30 0.00 0.00 42.92 40.69 1utd s ASP 29 CO 0.73 0.32 -0.12 -0.89 -0.17 0.00 0.00 175.17 175.04 1utd s THR 30 N -1.14 1.85 0.16 1.71 2.01 -1.26 -4.60 115.64 114.37 1utd s THR 30 Ca 0.23 -1.16 -0.18 0.00 0.31 0.00 0.00 61.69 60.89 1utd s THR 30 Cb -0.14 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.51 1utd s THR 30 CO 0.12 0.18 0.48 0.00 -0.69 0.00 0.00 174.62 174.71 1utd s ARG 31 N 1.30 1.25 -0.03 4.92 1.70 -1.26 -4.96 118.95 121.87 1utd s ARG 31 Ca -0.02 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 1utd s ARG 31 Cb -0.17 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1utd s ARG 31 CO -0.08 -0.52 1.08 -0.06 -1.08 0.00 0.00 175.30 174.64 1utd s PHE 32 N -3.83 3.47 -0.27 5.89 0.08 -1.26 -0.97 117.98 121.08 1utd s PHE 32 Ca 0.06 1.49 0.12 0.00 0.12 0.00 0.00 56.93 58.72 1utd s PHE 32 Cb 0.00 -3.26 -0.17 0.00 -0.57 0.00 0.00 43.02 39.02 1utd s PHE 32 CO -0.08 -0.60 0.39 -2.39 -0.10 0.00 0.00 175.22 172.44 1utd n HIS 33 N 4.51 0.00 -3.60 0.36 1.44 -0.26 -4.94 115.22 112.75 1utd n HIS 33 Ca 0.08 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.65 1utd n HIS 33 Cb 0.48 -0.15 -0.07 0.00 0.12 0.00 0.00 29.99 30.37 1utd n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1utd s HIS 34 N -2.54 -0.73 -0.16 -1.40 5.65 -1.24 -5.02 115.29 109.86 1utd s HIS 34 Ca -0.00 1.63 0.00 0.00 0.25 0.00 0.00 55.06 56.93 1utd s HIS 34 Cb 0.09 0.32 0.03 0.00 -1.18 0.00 0.00 32.58 31.84 1utd s HIS 34 CO 0.51 -0.44 -0.10 0.45 -0.65 0.00 0.00 174.74 174.51 1utd s SER 35 N -0.12 2.79 -0.25 9.88 0.15 -1.26 -1.48 113.70 123.42 1utd s SER 35 Ca -0.03 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 1utd s SER 35 Cb -0.03 -1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 1utd s SER 35 CO 0.03 -0.12 0.19 -0.70 1.20 0.00 0.00 173.24 173.84 1utd s GLU 36 N 1.54 4.04 -0.10 5.44 2.56 0.49 -4.91 118.70 127.76 1utd s GLU 36 Ca 0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 54.97 54.51 1utd s GLU 36 Cb -0.14 -3.58 -0.03 0.00 2.00 0.00 0.00 34.13 32.38 1utd s GLU 36 CO -0.09 -0.02 0.73 0.15 -0.56 0.00 0.00 175.26 175.47 1utd s LYS 37 N 1.29 4.39 -0.16 4.30 1.02 -1.26 -0.66 119.74 128.66 1utd s LYS 37 Ca 0.08 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 1utd s LYS 37 Cb -0.14 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1utd s LYS 37 CO 0.07 -0.05 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.81 1utd s LEU 38 N 1.19 2.64 0.72 3.17 1.43 0.41 -4.99 118.68 123.26 1utd s LEU 38 Ca 0.37 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1utd s LEU 38 Cb -0.17 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.48 1utd s LEU 38 CO 0.17 0.09 1.07 -1.81 0.23 0.00 0.00 176.35 176.10 1utd s ASP 39 N 0.77 4.97 0.04 2.29 1.01 -1.26 -1.93 116.67 122.56 1utd s ASP 39 Ca -0.05 0.76 -0.35 0.00 0.71 0.00 0.00 52.55 53.62 1utd s ASP 39 Cb -0.15 -1.44 -0.14 0.00 1.01 0.00 0.00 42.92 42.19 1utd s ASP 39 CO 0.01 -1.56 1.64 1.17 0.21 0.00 0.00 175.17 176.64 1utd n LYS 40 N -3.02 1.91 0.00 8.23 4.81 -1.20 -1.88 118.16 127.00 1utd n LYS 40 Ca 0.07 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1utd n LYS 40 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1utd n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1utd n GLY 41 N 3.61 2.25 3.79 3.14 0.00 0.22 -4.96 105.19 113.24 1utd n GLY 41 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1utd n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1utd s GLU 42 N -0.67 3.60 -0.09 1.61 2.02 -0.79 -4.83 118.70 119.55 1utd s GLU 42 Ca 0.00 1.48 0.03 0.00 0.02 0.00 0.00 54.97 56.50 1utd s GLU 42 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1utd s GLU 42 CO 0.00 -0.62 -0.17 0.08 0.02 0.00 0.00 175.26 174.57 1utd s VAL 43 N -1.88 1.57 -0.13 2.63 1.01 -1.26 -1.61 120.40 120.73 1utd s VAL 43 Ca 0.70 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1utd s VAL 43 Cb -0.20 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1utd s VAL 43 CO 0.23 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.49 1utd s LEU 44 N 0.70 3.03 -0.22 3.92 2.96 0.59 -4.97 118.68 124.69 1utd s LEU 44 Ca -0.12 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1utd s LEU 44 Cb -0.16 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.86 1utd s LEU 44 CO 0.03 0.20 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.51 1utd s ILE 45 N 0.15 2.47 -0.05 6.68 1.09 -1.26 0.66 121.20 130.93 1utd s ILE 45 Ca -0.04 -1.06 0.01 0.00 -1.10 0.00 0.00 60.65 58.47 1utd s ILE 45 Cb -0.14 -2.20 0.02 0.00 -1.06 0.00 0.00 42.46 39.08 1utd s ILE 45 CO 0.04 0.31 -0.06 0.00 -0.10 0.00 0.00 174.94 175.13 1utd s ALA 46 N 1.28 0.79 0.47 9.38 0.00 -0.31 -4.95 121.76 128.42 1utd s ALA 46 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 1utd s ALA 46 Cb -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1utd s ALA 46 CO -0.08 0.03 0.76 -0.65 0.00 0.00 0.00 175.76 175.82 1utd s GLN 47 N 0.82 3.50 0.31 0.00 -0.21 -1.26 -0.49 119.66 122.34 1utd s GLN 47 Ca -0.12 0.12 -0.28 0.00 0.02 0.00 0.00 55.36 55.10 1utd s GLN 47 Cb -0.15 -2.41 -0.09 0.00 1.00 0.00 0.00 33.01 31.36 1utd s GLN 47 CO 0.01 -0.19 1.04 -0.06 -2.12 0.00 0.00 175.29 173.98 1utd s PHE 48 N -2.70 3.57 0.34 0.91 0.08 -0.72 -4.94 117.98 114.52 1utd s PHE 48 Ca 0.47 1.73 0.08 0.00 0.12 0.00 0.00 56.93 59.32 1utd s PHE 48 Cb -0.10 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 1utd s PHE 48 CO 0.44 -0.34 0.28 0.95 -0.10 0.00 0.00 175.22 176.45 1utd s THR 49 N -1.35 0.02 0.44 0.64 -4.23 0.55 -4.67 115.64 107.03 1utd s THR 49 Ca 0.48 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 1utd s THR 49 Cb -0.27 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.50 1utd s THR 49 CO 0.34 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.15 1utd h GLU 50 N 2.10 0.30 0.00 3.99 4.81 -2.03 -3.10 114.58 120.65 1utd h GLU 50 Ca -0.25 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1utd h GLU 50 Cb 1.23 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1utd h GLU 50 CO 0.36 0.20 -2.02 0.72 -0.73 0.00 0.00 179.01 177.54 1utd n HIS 51 N -4.50 0.01 -4.10 0.92 8.25 -1.26 -4.58 115.22 109.95 1utd n HIS 51 Ca 0.23 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.37 1utd n HIS 51 Cb 0.89 -0.53 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 1utd n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1utd s THR 52 N -3.46 2.10 -0.56 1.59 2.01 -1.17 -1.70 115.64 114.45 1utd s THR 52 Ca -0.08 -1.22 0.05 0.00 0.31 0.00 0.00 61.69 60.75 1utd s THR 52 Cb 0.14 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.69 1utd s THR 52 CO 0.90 0.31 0.80 -1.54 -0.69 0.00 0.00 174.62 174.41 1utd n SER 53 N 4.55 1.73 -3.59 3.53 3.41 -1.01 -0.33 113.62 121.89 1utd n SER 53 Ca -0.18 -1.45 -0.16 0.00 -0.26 0.00 0.00 58.87 56.82 1utd n SER 53 Cb 0.47 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1utd n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1utd s ALA 54 N -0.60 -1.62 -0.05 7.33 0.00 -1.24 -5.02 121.76 120.56 1utd s ALA 54 Ca 0.07 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1utd s ALA 54 Cb 0.05 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1utd s ALA 54 CO 0.07 -0.34 -0.05 0.42 0.00 0.00 0.00 175.76 175.86 1utd s ILE 55 N -0.61 0.56 -0.09 0.00 1.01 -1.26 -0.75 121.20 120.05 1utd s ILE 55 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1utd s ILE 55 Cb -0.02 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1utd s ILE 55 CO 0.06 0.23 -0.12 -0.75 0.00 0.00 0.00 174.94 174.36 1utd s LYS 56 N 0.95 3.01 -0.12 2.79 2.20 0.37 -4.95 119.74 123.97 1utd s LYS 56 Ca -0.11 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1utd s LYS 56 Cb -0.14 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1utd s LYS 56 CO -0.00 0.43 -0.17 0.08 -0.36 0.00 0.00 175.35 175.33 1utd s VAL 57 N -0.20 2.72 -0.06 4.02 1.01 -1.26 -0.03 120.40 126.60 1utd s VAL 57 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1utd s VAL 57 Cb -0.13 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1utd s VAL 57 CO 0.03 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 1utd s ARG 58 N 0.40 1.62 0.00 2.72 1.04 -0.51 -4.97 118.95 119.24 1utd s ARG 58 Ca -0.13 -0.41 0.00 0.00 -1.04 0.00 0.00 55.73 54.15 1utd s ARG 58 Cb -0.16 -1.36 0.00 0.00 -2.04 0.00 0.00 34.95 31.39 1utd s ARG 58 CO 0.06 0.05 0.00 0.41 -0.04 0.00 0.00 175.30 175.78 1utd n GLY 59 N 3.72 1.14 3.66 3.88 0.00 -1.26 -1.00 105.19 115.33 1utd n GLY 59 Ca -0.22 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1utd n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1utd s LYS 60 N -1.59 4.22 0.00 1.61 2.20 -1.26 -3.83 119.74 121.09 1utd s LYS 60 Ca 0.00 1.41 -0.20 0.00 -0.36 0.00 0.00 55.97 56.83 1utd s LYS 60 Cb 0.00 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1utd s LYS 60 CO 0.00 -0.70 0.44 0.00 -0.36 0.00 0.00 175.35 174.73 1utd s ALA 61 N 3.37 -1.10 -0.24 3.13 0.00 -0.98 -0.81 121.76 125.15 1utd s ALA 61 Ca 0.48 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 1utd s ALA 61 Cb -0.17 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1utd s ALA 61 CO 0.10 -0.37 0.13 -0.47 0.00 0.00 0.00 175.76 175.15 1utd s TYR 62 N -1.78 3.24 -0.06 0.00 5.04 -0.04 -1.56 117.35 122.19 1utd s TYR 62 Ca -0.10 0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 1utd s TYR 62 Cb -0.02 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1utd s TYR 62 CO 0.03 -0.03 -0.19 0.42 -1.34 0.00 0.00 175.55 174.44 1utd s ILE 63 N 1.12 1.59 -0.07 3.14 1.01 0.61 -0.93 121.20 127.67 1utd s ILE 63 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1utd s ILE 63 Cb -0.14 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1utd s ILE 63 CO 0.04 0.46 -0.16 -1.10 0.00 0.00 0.00 174.94 174.18 1utd s GLN 64 N 0.25 2.76 0.39 2.79 -0.21 -0.60 -0.86 119.66 124.18 1utd s GLN 64 Ca -0.10 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 54.59 1utd s GLN 64 Cb -0.15 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.44 1utd s GLN 64 CO 0.04 0.46 0.20 0.95 -2.12 0.00 0.00 175.29 174.82 1utd s THR 65 N -0.31 0.31 0.57 -0.19 -4.23 -0.27 -1.17 115.64 110.36 1utd s THR 65 Ca 0.02 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1utd s THR 65 Cb -0.13 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.76 1utd s THR 65 CO 0.03 0.00 1.87 -0.09 -0.54 0.00 0.00 174.62 175.88 1utd h ARG 66 N 1.88 0.00 -0.01 3.99 2.43 -2.01 -1.51 114.38 119.16 1utd h ARG 66 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1utd h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1utd h ARG 66 CO 0.47 0.00 -0.24 0.72 -1.51 0.00 0.00 179.97 179.41 1utd n HIS 67 N -3.87 0.00 0.00 2.20 8.25 -1.26 -5.03 115.22 115.52 1utd n HIS 67 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1utd n HIS 67 Cb 0.80 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1utd n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1utd n GLY 68 N 1.33 0.63 3.84 -1.41 0.00 -0.57 -5.06 105.19 103.94 1utd n GLY 68 Ca 0.13 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1utd n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1utd s VAL 69 N -0.59 4.93 0.04 1.61 1.01 -1.26 -1.11 120.40 125.02 1utd s VAL 69 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1utd s VAL 69 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1utd s VAL 69 CO 0.00 0.37 0.22 -0.51 0.00 0.00 0.00 175.10 175.18 1utd s ILE 70 N -1.32 0.10 -0.12 2.22 1.10 -0.04 -5.00 121.20 118.14 1utd s ILE 70 Ca 0.33 -0.83 0.03 0.00 -0.51 0.00 0.00 60.65 59.66 1utd s ILE 70 Cb -0.16 -0.91 0.01 0.00 0.15 0.00 0.00 42.46 41.55 1utd s ILE 70 CO 0.18 -0.46 -0.20 -1.61 -2.11 0.00 0.00 174.94 170.74 1utd s GLU 71 N -2.55 2.68 0.39 3.50 2.02 -1.26 -0.28 118.70 123.19 1utd s GLU 71 Ca -0.05 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.03 1utd s GLU 71 Cb -0.01 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 1utd s GLU 71 CO -0.04 0.01 0.85 -1.54 0.02 0.00 0.00 175.26 174.57 1utd s SER 72 N 0.76 6.83 -0.04 -0.19 1.04 -0.60 -4.95 113.70 116.54 1utd s SER 72 Ca -0.10 1.48 0.07 0.00 0.48 0.00 0.00 55.95 57.88 1utd s SER 72 Cb -0.16 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1utd s SER 72 CO 0.01 -0.31 -0.24 -1.61 0.98 0.00 0.00 173.24 172.06 1utd s GLU 73 N -3.19 2.27 0.97 4.02 2.02 -1.25 -2.31 118.70 121.23 1utd s GLU 73 Ca 0.58 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.54 1utd s GLU 73 Cb -0.10 -2.02 0.22 0.00 0.10 0.00 0.00 34.13 32.33 1utd s GLU 73 CO 0.17 0.43 1.33 0.20 0.02 0.00 0.00 175.26 177.41 1utd s GLY 74 N -0.32 1.82 0.00 -1.39 0.00 -1.26 -4.38 107.32 101.80 1utd s GLY 74 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1utd s GLY 74 CO 0.02 -0.56 0.00 0.58 0.00 0.00 0.00 173.10 173.14