#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1utd s ASN 6 N 0.00 6.47 0.16 3.42 3.84 -1.26 -5.02 114.94 122.54 1utd s ASN 6 Ca 0.00 0.28 -0.20 0.00 0.21 0.00 0.00 52.86 53.15 1utd s ASN 6 Cb 0.00 -2.34 0.05 0.00 -0.55 0.00 0.00 41.25 38.41 1utd s ASN 6 CO 0.00 -0.57 0.53 -0.44 -2.79 0.00 0.00 177.10 173.83 1utd s SER 7 N 1.74 -0.41 0.81 -4.21 0.01 -1.26 -5.14 113.70 105.24 1utd s SER 7 Ca 0.26 -0.19 -0.13 0.00 1.31 0.00 0.00 55.95 57.19 1utd s SER 7 Cb -0.14 0.56 0.08 0.00 0.21 0.00 0.00 66.02 66.73 1utd s SER 7 CO 0.14 -0.96 1.19 -1.81 0.41 0.00 0.00 173.24 172.21 1utd s ASP 8 N -2.79 3.62 0.10 2.44 1.01 -1.26 -4.82 116.67 114.97 1utd s ASP 8 Ca 0.03 2.32 0.01 0.00 0.71 0.00 0.00 52.55 55.62 1utd s ASP 8 Cb -0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1utd s ASP 8 CO -0.10 -2.65 -0.04 0.72 0.21 0.00 0.00 175.17 173.31 1utd s PHE 9 N -2.23 0.85 0.02 4.23 -0.12 -1.26 -1.36 117.98 118.11 1utd s PHE 9 Ca 0.72 -0.99 0.08 0.00 -0.05 0.00 0.00 56.93 56.68 1utd s PHE 9 Cb -0.27 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.58 1utd s PHE 9 CO 0.51 -0.24 -0.24 0.08 -0.05 0.00 0.00 175.22 175.28 1utd s VAL 10 N -3.73 2.33 -0.18 -2.49 1.01 0.08 -4.59 120.40 112.83 1utd s VAL 10 Ca 0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1utd s VAL 10 Cb 0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1utd s VAL 10 CO -0.04 0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 174.79 1utd s VAL 11 N -0.77 3.95 -0.15 2.92 1.01 -0.21 -0.89 120.40 126.27 1utd s VAL 11 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1utd s VAL 11 Cb -0.10 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1utd s VAL 11 CO 0.02 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 1utd s ILE 12 N 0.63 1.43 -0.26 2.22 1.09 0.70 -1.07 121.20 125.95 1utd s ILE 12 Ca -0.01 -0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 1utd s ILE 12 Cb -0.14 -1.41 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 1utd s ILE 12 CO 0.02 0.36 0.08 -0.75 -0.10 0.00 0.00 174.94 174.55 1utd s LYS 13 N 1.53 3.49 0.08 2.79 2.20 0.30 -0.67 119.74 129.46 1utd s LYS 13 Ca 0.04 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 1utd s LYS 13 Cb -0.14 -3.35 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 1utd s LYS 13 CO -0.10 -0.27 1.63 0.00 -0.36 0.00 0.00 175.35 176.25 1utd s ALA 14 N 1.59 3.69 -2.80 3.13 0.00 -0.86 -0.56 121.76 125.95 1utd s ALA 14 Ca 0.05 1.21 0.24 0.00 0.00 0.00 0.00 51.96 53.47 1utd s ALA 14 Cb -0.16 -3.68 0.36 0.00 0.00 0.00 0.00 23.12 19.64 1utd s ALA 14 CO 0.03 -1.05 1.36 1.28 0.00 0.00 0.00 175.76 177.38 1utd n LEU 15 N 5.39 2.92 -3.72 0.00 4.77 0.22 -0.71 117.00 125.86 1utd n LEU 15 Ca 0.15 -1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 1utd n LEU 15 Cb 0.40 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1utd n LEU 15 CO 0.62 0.53 0.23 -1.83 -1.33 0.00 0.00 177.39 175.61 1utd s GLU 16 N -1.87 1.30 0.61 3.23 -1.05 -1.23 -4.88 118.70 114.81 1utd s GLU 16 Ca 0.32 -0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 54.13 1utd s GLU 16 Cb 0.21 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.38 1utd s GLU 16 CO 0.31 -0.54 1.13 -0.51 0.95 0.00 0.00 175.26 176.60 1utd s ASP 17 N -2.86 5.28 -0.11 0.83 1.01 -1.26 -3.34 116.67 116.22 1utd s ASP 17 Ca 0.08 2.13 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1utd s ASP 17 Cb -0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1utd s ASP 17 CO -0.05 -1.52 0.00 0.61 0.21 0.00 0.00 175.17 174.42 1utd n GLY 18 N -0.11 0.49 3.74 0.21 0.00 -0.65 -4.87 105.19 104.00 1utd n GLY 18 Ca 0.11 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1utd n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1utd n VAL 19 N -2.92 1.57 -4.07 1.61 0.31 -0.86 -4.76 118.33 109.22 1utd n VAL 19 Ca -0.01 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.60 1utd n VAL 19 Cb 0.06 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 30.98 1utd n VAL 19 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1utd s ASN 20 N 0.09 4.10 -0.28 4.52 3.84 -0.00 -0.12 114.94 127.09 1utd s ASN 20 Ca 0.59 -1.16 -0.13 0.00 0.21 0.00 0.00 52.86 52.37 1utd s ASN 20 Cb -0.51 -1.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.60 1utd s ASN 20 CO 0.57 -0.14 0.29 -0.69 -2.79 0.00 0.00 177.10 174.35 1utd s VAL 21 N 1.17 5.23 -0.19 -5.21 1.01 -0.03 -1.32 120.40 121.06 1utd s VAL 21 Ca -0.04 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1utd s VAL 21 Cb -0.18 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1utd s VAL 21 CO -0.07 0.17 -0.13 -0.63 0.00 0.00 0.00 175.10 174.44 1utd s ILE 22 N 1.93 2.65 -0.24 2.22 1.01 0.83 -0.08 121.20 129.52 1utd s ILE 22 Ca 0.11 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1utd s ILE 22 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1utd s ILE 22 CO 0.11 0.49 0.39 -0.83 0.00 0.00 0.00 174.94 175.09 1utd s GLY 23 N 1.31 1.96 -0.03 6.18 0.00 0.08 -0.86 107.32 115.97 1utd s GLY 23 Ca 0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 1utd s GLY 23 CO -0.08 0.91 0.31 1.08 0.00 0.00 0.00 173.10 175.33 1utd s LEU 24 N 1.75 4.43 0.19 0.66 1.02 0.09 -0.38 118.68 126.43 1utd s LEU 24 Ca 0.17 0.76 -0.31 0.00 0.02 0.00 0.00 54.13 54.77 1utd s LEU 24 Cb -0.15 -2.47 -0.10 0.00 0.02 0.00 0.00 46.19 43.49 1utd s LEU 24 CO 0.09 0.33 1.49 0.42 0.02 0.00 0.00 176.35 178.70 1utd s THR 25 N -1.11 2.74 0.33 5.49 -4.23 -0.02 -2.53 115.64 116.31 1utd s THR 25 Ca 0.22 0.57 -0.29 0.00 -1.18 0.00 0.00 61.69 61.01 1utd s THR 25 Cb -0.15 -3.36 -0.10 0.00 1.34 0.00 0.00 72.50 70.23 1utd s THR 25 CO 0.11 0.06 1.28 -0.60 -0.54 0.00 0.00 174.62 174.93 1utd s ARG 26 N 0.55 4.37 0.00 3.99 3.52 -0.78 -4.56 118.95 126.03 1utd s ARG 26 Ca 0.65 2.16 0.00 0.00 -0.13 0.00 0.00 55.73 58.41 1utd s ARG 26 Cb -0.42 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1utd s ARG 26 CO 0.36 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1utd n GLY 27 N 0.83 0.74 0.34 8.12 0.00 -1.26 -4.79 105.19 109.18 1utd n GLY 27 Ca 0.00 -2.04 0.00 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 1.45 -2.79 4.61 0.00 -2.05 -3.42 119.26 117.05 1utd h ALA 28 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.25 1utd h ALA 28 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1utd h ALA 28 CO 0.00 0.49 -0.47 0.34 0.00 0.00 0.00 179.25 179.61 1utd s ASP 29 N -6.41 6.36 -0.24 0.00 2.15 -1.26 -5.09 116.67 112.18 1utd s ASP 29 Ca -0.11 0.27 0.01 0.00 0.43 0.00 0.00 52.55 53.16 1utd s ASP 29 Cb 0.17 -1.96 0.06 0.00 -0.30 0.00 0.00 42.92 40.90 1utd s ASP 29 CO 0.78 0.12 -0.07 -0.89 -0.17 0.00 0.00 175.17 174.94 1utd s THR 30 N -1.59 1.73 0.14 1.71 2.01 -1.26 -4.61 115.64 113.76 1utd s THR 30 Ca 0.35 -1.35 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 1utd s THR 30 Cb -0.12 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1utd s THR 30 CO 0.28 -0.08 0.36 0.00 -0.69 0.00 0.00 174.62 174.49 1utd s ARG 31 N 1.30 1.11 0.29 4.92 1.70 -1.26 -4.94 118.95 122.07 1utd s ARG 31 Ca -0.07 -0.88 -0.29 0.00 -0.47 0.00 0.00 55.73 54.02 1utd s ARG 31 Cb -0.19 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 1utd s ARG 31 CO -0.06 -0.43 1.05 -0.59 -1.08 0.00 0.00 175.30 174.19 1utd s PHE 32 N -3.86 3.63 -0.23 5.89 -0.12 -1.26 -0.84 117.98 121.19 1utd s PHE 32 Ca 0.07 1.74 0.10 0.00 -0.05 0.00 0.00 56.93 58.80 1utd s PHE 32 Cb 0.02 -3.17 -0.13 0.00 -0.63 0.00 0.00 43.02 39.10 1utd s PHE 32 CO -0.07 -0.30 0.31 -2.39 -0.05 0.00 0.00 175.22 172.72 1utd n HIS 33 N 1.02 0.00 -3.64 3.49 1.44 0.48 -4.87 115.22 113.15 1utd n HIS 33 Ca -0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1utd n HIS 33 Cb 0.46 -0.12 -0.08 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 -2.33 -0.59 -0.12 -1.40 5.65 -1.21 -5.02 115.29 110.25 1utd s HIS 34 Ca -0.00 1.29 -0.01 0.00 0.25 0.00 0.00 55.06 56.59 1utd s HIS 34 Cb 0.07 0.26 0.03 0.00 -1.18 0.00 0.00 32.58 31.76 1utd s HIS 34 CO 0.41 -0.41 -0.04 0.45 -0.65 0.00 0.00 174.74 174.50 1utd s SER 35 N -0.33 2.26 -0.28 9.88 0.15 -1.26 -0.74 113.70 123.39 1utd s SER 35 Ca -0.05 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.13 1utd s SER 35 Cb -0.03 -0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 63.52 1utd s SER 35 CO 0.04 -0.17 0.10 -0.70 1.20 0.00 0.00 173.24 173.71 1utd s GLU 36 N 1.77 3.50 0.04 5.44 2.56 0.89 -4.92 118.70 127.97 1utd s GLU 36 Ca 0.03 -0.59 -0.21 0.00 0.00 0.00 0.00 54.97 54.20 1utd s GLU 36 Cb -0.14 -3.43 -0.06 0.00 2.00 0.00 0.00 34.13 32.51 1utd s GLU 36 CO -0.07 -0.29 0.62 0.15 -0.56 0.00 0.00 175.26 175.10 1utd s LYS 37 N 1.61 4.32 -0.07 4.30 1.02 -1.26 -0.85 119.74 128.81 1utd s LYS 37 Ca 0.05 0.81 0.04 0.00 0.02 0.00 0.00 55.97 56.89 1utd s LYS 37 Cb -0.16 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1utd s LYS 37 CO 0.05 0.46 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.22 1utd s LEU 38 N -0.53 2.33 0.63 3.17 1.43 0.83 -4.96 118.68 121.57 1utd s LEU 38 Ca 0.32 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1utd s LEU 38 Cb -0.19 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1utd s LEU 38 CO 0.19 0.25 0.99 -1.81 0.23 0.00 0.00 176.35 176.20 1utd s ASP 39 N -0.16 5.76 0.16 2.29 1.01 -1.26 -1.64 116.67 122.84 1utd s ASP 39 Ca -0.03 1.06 -0.33 0.00 0.71 0.00 0.00 52.55 53.96 1utd s ASP 39 Cb -0.14 -2.03 -0.13 0.00 1.01 0.00 0.00 42.92 41.63 1utd s ASP 39 CO 0.04 -1.06 1.66 1.17 0.21 0.00 0.00 175.17 177.18 1utd n LYS 40 N -2.74 2.38 0.00 8.23 4.81 -1.21 -1.62 118.16 128.02 1utd n LYS 40 Ca 0.05 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1utd n LYS 40 Cb 0.56 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.95 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 3.69 2.20 3.78 3.14 0.00 0.11 -4.95 105.19 113.15 1utd n GLY 41 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.64 4.10 -0.07 1.61 2.02 -0.64 -4.83 118.70 120.25 1utd s GLU 42 Ca 0.00 1.60 0.05 0.00 0.02 0.00 0.00 54.97 56.64 1utd s GLU 42 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1utd s GLU 42 CO 0.00 -0.22 -0.24 0.08 0.02 0.00 0.00 175.26 174.91 1utd s VAL 43 N -1.59 2.13 -0.10 2.63 1.01 -1.26 -2.03 120.40 121.19 1utd s VAL 43 Ca 0.58 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1utd s VAL 43 Cb -0.24 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1utd s VAL 43 CO 0.30 0.57 -0.21 -0.22 0.00 0.00 0.00 175.10 175.54 1utd s LEU 44 N -0.03 2.25 -0.26 3.92 2.96 0.16 -4.98 118.68 122.70 1utd s LEU 44 Ca -0.07 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1utd s LEU 44 Cb -0.15 -1.46 0.03 0.00 0.50 0.00 0.00 46.19 45.12 1utd s LEU 44 CO 0.05 0.18 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.58 1utd s ILE 45 N 0.22 2.85 -0.06 6.68 1.01 -1.26 -0.21 121.20 130.43 1utd s ILE 45 Ca -0.13 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.38 1utd s ILE 45 Cb -0.17 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.81 1utd s ILE 45 CO 0.07 0.11 -0.09 0.00 0.00 0.00 0.00 174.94 175.04 1utd s ALA 46 N 1.29 1.04 0.50 9.38 0.00 -0.07 -4.94 121.76 128.97 1utd s ALA 46 Ca -0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1utd s ALA 46 Cb -0.18 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1utd s ALA 46 CO -0.04 -0.02 0.82 -0.65 0.00 0.00 0.00 175.76 175.88 1utd s GLN 47 N 0.93 3.56 0.30 0.00 -0.21 -1.26 -0.74 119.66 122.23 1utd s GLN 47 Ca -0.10 0.29 -0.23 0.00 0.02 0.00 0.00 55.36 55.34 1utd s GLN 47 Cb -0.15 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.44 1utd s GLN 47 CO 0.01 -0.26 0.86 -0.06 -2.12 0.00 0.00 175.29 173.72 1utd s PHE 48 N -2.80 3.63 0.26 0.91 0.08 -0.46 -4.94 117.98 114.66 1utd s PHE 48 Ca 0.49 1.61 -0.00 0.00 0.12 0.00 0.00 56.93 59.14 1utd s PHE 48 Cb -0.10 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1utd s PHE 48 CO 0.46 0.22 0.26 0.95 -0.10 0.00 0.00 175.22 177.00 1utd s THR 49 N -1.66 0.00 0.41 0.64 -4.23 -0.41 -4.75 115.64 105.64 1utd s THR 49 Ca 0.49 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 59.38 1utd s THR 49 Cb -0.17 -2.48 0.43 0.00 1.34 0.00 0.00 72.50 71.62 1utd s THR 49 CO 0.21 0.00 1.63 -0.08 -0.54 0.00 0.00 174.62 175.84 1utd h GLU 50 N 2.38 0.12 0.00 3.99 4.81 -2.03 -3.02 114.58 120.83 1utd h GLU 50 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1utd h GLU 50 Cb 1.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1utd h GLU 50 CO 0.45 0.08 -1.85 0.72 -0.73 0.00 0.00 179.01 177.68 1utd n HIS 51 N -4.86 0.00 -3.97 0.92 8.25 -1.26 -4.61 115.22 109.70 1utd n HIS 51 Ca 0.36 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.52 1utd n HIS 51 Cb 1.31 -0.42 -0.16 0.00 1.12 0.00 0.00 29.99 31.84 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 -3.41 1.59 -1.04 1.59 2.01 -1.14 -1.86 115.64 113.37 1utd s THR 52 Ca -0.06 -1.12 0.09 0.00 0.31 0.00 0.00 61.69 60.91 1utd s THR 52 Cb 0.14 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.95 1utd s THR 52 CO 0.88 0.03 0.75 -1.54 -0.69 0.00 0.00 174.62 174.05 1utd n SER 53 N 4.68 1.65 -3.71 3.53 3.41 -1.05 -1.29 113.62 120.83 1utd n SER 53 Ca -0.13 -1.33 -0.14 0.00 -0.26 0.00 0.00 58.87 57.02 1utd n SER 53 Cb 0.45 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.76 -1.09 -0.08 7.33 0.00 -1.24 -5.02 121.76 120.90 1utd s ALA 54 Ca 0.10 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1utd s ALA 54 Cb 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1utd s ALA 54 CO 0.12 -0.24 -0.21 0.42 0.00 0.00 0.00 175.76 175.85 1utd s ILE 55 N -0.25 1.78 -0.06 0.00 1.01 -1.26 -0.73 121.20 121.69 1utd s ILE 55 Ca -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1utd s ILE 55 Cb -0.03 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1utd s ILE 55 CO 0.02 0.50 -0.17 -0.75 0.00 0.00 0.00 174.94 174.54 1utd s LYS 56 N 0.30 2.60 -0.16 2.79 2.20 -0.04 -4.96 119.74 122.48 1utd s LYS 56 Ca -0.14 -0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1utd s LYS 56 Cb -0.16 -2.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.80 1utd s LYS 56 CO 0.06 0.53 -0.14 0.08 -0.36 0.00 0.00 175.35 175.52 1utd s VAL 57 N -0.49 2.83 -0.08 4.02 1.01 -1.26 -0.12 120.40 126.32 1utd s VAL 57 Ca 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1utd s VAL 57 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1utd s VAL 57 CO 0.01 0.51 -0.14 -0.13 0.00 0.00 0.00 175.10 175.35 1utd s ARG 58 N 0.78 2.82 0.00 2.72 0.52 -0.44 -4.91 118.95 120.44 1utd s ARG 58 Ca -0.05 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1utd s ARG 58 Cb -0.15 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1utd s ARG 58 CO 0.01 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1utd n GLY 59 N 2.78 1.77 3.63 -3.53 0.00 -1.26 -0.82 105.19 107.75 1utd n GLY 59 Ca -0.18 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.19 3.97 -0.02 1.61 2.20 -1.26 -3.64 119.74 120.41 1utd s LYS 60 Ca 0.00 1.28 -0.14 0.00 -0.36 0.00 0.00 55.97 56.74 1utd s LYS 60 Cb 0.00 -3.85 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1utd s LYS 60 CO 0.00 -1.05 0.30 0.00 -0.36 0.00 0.00 175.35 174.25 1utd s ALA 61 N 4.19 -0.77 -0.26 3.13 0.00 -0.94 -0.61 121.76 126.50 1utd s ALA 61 Ca 0.55 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1utd s ALA 61 Cb -0.17 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1utd s ALA 61 CO 0.21 -0.25 0.24 -0.47 0.00 0.00 0.00 175.76 175.50 1utd s TYR 62 N -1.18 3.27 -0.08 0.00 5.04 0.27 -1.30 117.35 123.38 1utd s TYR 62 Ca -0.12 0.26 0.05 0.00 -2.44 0.00 0.00 57.07 54.82 1utd s TYR 62 Cb -0.05 -2.40 -0.00 0.00 0.35 0.00 0.00 41.96 39.85 1utd s TYR 62 CO 0.04 -0.09 -0.24 0.42 -1.34 0.00 0.00 175.55 174.34 1utd s ILE 63 N 1.57 2.01 -0.09 3.14 1.01 0.13 -0.54 121.20 128.43 1utd s ILE 63 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1utd s ILE 63 Cb -0.15 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1utd s ILE 63 CO 0.08 0.55 -0.17 -1.10 0.00 0.00 0.00 174.94 174.31 1utd s GLN 64 N 0.11 2.91 0.41 2.79 -0.21 -0.23 -1.27 119.66 124.17 1utd s GLN 64 Ca -0.11 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 54.56 1utd s GLN 64 Cb -0.16 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 1utd s GLN 64 CO 0.06 0.37 0.15 0.95 -2.12 0.00 0.00 175.29 174.71 1utd s THR 65 N -0.09 0.48 0.56 -0.19 -4.23 -0.31 -1.04 115.64 110.82 1utd s THR 65 Ca -0.03 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.79 1utd s THR 65 Cb -0.14 -2.33 0.46 0.00 1.34 0.00 0.00 72.50 71.83 1utd s THR 65 CO 0.04 0.00 1.86 -0.09 -0.54 0.00 0.00 174.62 175.89 1utd h ARG 66 N 1.79 0.00 -0.01 3.99 2.43 -2.01 -1.02 114.38 119.56 1utd h ARG 66 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1utd h ARG 66 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1utd h ARG 66 CO 0.53 0.00 -0.20 0.72 -1.51 0.00 0.00 179.97 179.51 1utd n HIS 67 N -4.07 0.00 0.00 2.20 8.25 -1.26 -5.04 115.22 115.30 1utd n HIS 67 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1utd n HIS 67 Cb 0.93 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 1.31 0.67 3.86 -1.41 0.00 -0.39 -5.05 105.19 104.18 1utd n GLY 68 Ca 0.13 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1utd n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1utd s VAL 69 N -0.84 5.09 -0.00 1.61 -7.23 -1.26 -1.16 120.40 116.61 1utd s VAL 69 Ca 0.00 0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1utd s VAL 69 Cb 0.00 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1utd s VAL 69 CO 0.00 0.37 0.12 -0.51 -0.31 0.00 0.00 175.10 174.76 1utd s ILE 70 N -1.31 0.08 -0.12 -0.62 1.10 -0.40 -5.01 121.20 114.91 1utd s ILE 70 Ca 0.30 -0.63 0.01 0.00 -0.51 0.00 0.00 60.65 59.82 1utd s ILE 70 Cb -0.14 -0.38 -0.01 0.00 0.15 0.00 0.00 42.46 42.07 1utd s ILE 70 CO 0.17 -0.35 -0.17 -1.61 -2.11 0.00 0.00 174.94 170.86 1utd s GLU 71 N -1.22 3.25 0.41 3.50 2.02 -1.26 -0.69 118.70 124.70 1utd s GLU 71 Ca -0.13 -0.76 -0.10 0.00 0.02 0.00 0.00 54.97 54.00 1utd s GLU 71 Cb -0.07 -2.50 -0.06 0.00 0.10 0.00 0.00 34.13 31.59 1utd s GLU 71 CO 0.01 0.19 0.76 -1.54 0.02 0.00 0.00 175.26 174.70 1utd s SER 72 N 0.38 6.49 -0.03 -0.19 1.04 -0.42 -4.95 113.70 116.02 1utd s SER 72 Ca -0.14 1.09 0.03 0.00 0.48 0.00 0.00 55.95 57.41 1utd s SER 72 Cb -0.17 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1utd s SER 72 CO 0.07 -0.41 -0.11 -1.61 0.98 0.00 0.00 173.24 172.16 1utd s GLU 73 N -3.93 1.15 0.00 4.02 2.02 -1.24 -2.21 118.70 118.51 1utd s GLU 73 Ca 0.50 -0.38 0.24 0.00 0.02 0.00 0.00 54.97 55.36 1utd s GLU 73 Cb -0.10 -1.05 1.46 0.00 0.10 0.00 0.00 34.13 34.53 1utd s GLU 73 CO 0.33 0.15 1.82 0.41 0.02 0.00 0.00 175.26 177.99