#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o n SER -8 N 0.00 0.00 -3.45 4.39 2.88 -1.26 -5.14 113.62 111.04 1t3o n SER -8 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1t3o n SER -8 Cb 0.00 0.04 0.09 0.00 -0.75 0.00 0.00 64.21 63.59 1t3o n SER -8 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1t3o n SER -7 N -1.39 0.60 -0.57 -3.46 3.41 -1.26 -4.39 113.62 106.56 1t3o n SER -7 Ca 0.00 -1.58 -0.07 0.00 -0.26 0.00 0.00 58.87 56.96 1t3o n SER -7 Cb 0.00 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t3o n GLY -6 N 0.09 0.89 3.47 5.00 0.00 -1.26 -5.01 105.19 108.37 1t3o n GLY -6 Ca 0.10 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1t3o n GLY -6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t3o s HIS -5 N -2.28 2.89 -0.28 1.61 5.65 -1.26 -5.08 115.29 116.55 1t3o s HIS -5 Ca 0.00 -0.34 -0.29 0.00 0.25 0.00 0.00 55.06 54.68 1t3o s HIS -5 Cb 0.00 -1.83 0.00 0.00 -1.18 0.00 0.00 32.58 29.58 1t3o s HIS -5 CO 0.00 0.00 1.21 -1.50 -0.65 0.00 0.00 174.74 173.81 1t3o s ILE -4 N -0.01 4.30 -1.58 0.89 1.10 -1.26 -4.88 121.20 119.76 1t3o s ILE -4 Ca -0.02 1.50 0.11 0.00 -0.51 0.00 0.00 60.65 61.74 1t3o s ILE -4 Cb -0.14 -4.21 0.40 0.00 0.15 0.00 0.00 42.46 38.66 1t3o s ILE -4 CO 0.03 -0.40 1.28 -0.62 -2.11 0.00 0.00 174.94 173.12 1t3o n GLU -3 N 7.01 2.34 -1.43 3.50 4.71 -1.26 -4.83 120.64 130.67 1t3o n GLU -3 Ca 0.14 -1.59 0.00 0.00 -0.01 0.00 0.00 57.16 55.69 1t3o n GLU -3 Cb 0.46 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1t3o n GLY -2 N 0.93 0.95 3.93 0.62 0.00 -1.26 -5.08 105.19 105.28 1t3o n GLY -2 Ca 0.15 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1t3o n GLY -2 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3o s ARG -1 N -3.08 2.73 -0.15 1.61 1.70 -1.26 -4.84 118.95 115.66 1t3o s ARG -1 Ca 0.00 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.04 1t3o s ARG -1 Cb 0.00 -2.32 0.02 0.00 -0.57 0.00 0.00 34.95 32.08 1t3o s ARG -1 CO 0.00 -0.76 -0.18 -3.38 -1.08 0.00 0.00 175.30 169.90 1t3o s HIS 0 N -2.96 2.46 -0.32 5.89 -3.43 -1.25 -4.99 115.29 110.69 1t3o s HIS 0 Ca 0.55 -1.35 0.01 0.00 -0.80 0.00 0.00 55.06 53.47 1t3o s HIS 0 Cb -0.10 -1.73 0.08 0.00 -1.43 0.00 0.00 32.58 29.39 1t3o s HIS 0 CO 0.43 -0.67 0.02 1.41 -2.00 0.00 0.00 174.74 173.93 1t3o s MET 1 N 1.17 2.02 -0.16 -0.38 0.00 -1.26 -2.44 119.30 118.24 1t3o s MET 1 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 55.69 54.04 1t3o s MET 1 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 34.83 31.46 1t3o s MET 1 CO -0.08 -0.79 0.09 -1.17 0.00 0.00 0.00 175.02 173.07 1t3o s LEU 2 N 1.09 3.99 -0.18 4.11 1.98 0.26 -4.87 118.68 125.06 1t3o s LEU 2 Ca 0.01 0.19 -0.08 0.00 -2.89 0.00 0.00 54.13 51.37 1t3o s LEU 2 Cb -0.20 -2.00 -0.04 0.00 0.66 0.00 0.00 46.19 44.61 1t3o s LEU 2 CO -0.05 0.24 0.07 0.54 -1.89 0.00 0.00 176.35 175.26 1t3o s VAL 3 N -0.03 4.82 0.04 1.68 0.11 -1.26 -0.21 120.40 125.56 1t3o s VAL 3 Ca 0.07 -0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 1t3o s VAL 3 Cb -0.12 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 1t3o s VAL 3 CO 0.01 0.46 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.32 1t3o s LEU 4 N 0.37 2.73 -0.31 2.54 1.43 0.30 -4.92 118.68 120.83 1t3o s LEU 4 Ca 0.03 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 1t3o s LEU 4 Cb -0.12 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1t3o s LEU 4 CO -0.00 0.25 0.72 -0.94 0.23 0.00 0.00 176.35 176.61 1t3o s SER 5 N -1.49 6.59 -0.18 2.29 1.04 -1.26 0.07 113.70 120.75 1t3o s SER 5 Ca 0.15 0.56 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 1t3o s SER 5 Cb -0.11 -2.37 0.09 0.00 0.10 0.00 0.00 66.02 63.73 1t3o s SER 5 CO 0.06 -0.55 0.34 -0.60 0.98 0.00 0.00 173.24 173.47 1t3o s ARG 6 N 2.80 0.25 -0.69 4.02 6.06 -1.15 -4.88 118.95 125.35 1t3o s ARG 6 Ca 0.29 0.81 -0.01 0.00 -2.50 0.00 0.00 55.73 54.32 1t3o s ARG 6 Cb -0.14 -0.01 0.42 0.00 0.06 0.00 0.00 34.95 35.27 1t3o s ARG 6 CO 0.12 -0.34 1.93 1.63 -2.50 0.00 0.00 175.30 176.14 1t3o n LYS 7 N 5.37 2.81 0.00 5.12 4.76 -1.25 -4.12 118.16 130.86 1t3o n LYS 7 Ca -0.07 -3.48 0.00 0.00 -2.87 0.00 0.00 58.31 51.89 1t3o n LYS 7 Cb 0.50 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3o n ILE 8 N -0.77 0.00 -3.87 -0.18 5.41 -1.26 -5.00 119.36 113.69 1t3o n ILE 8 Ca 0.58 -0.16 -0.31 0.00 1.00 0.00 0.00 62.75 63.86 1t3o n ILE 8 Cb 0.55 1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 40.95 1t3o n ILE 8 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1t3o n ASN 9 N -0.07 -1.51 -4.86 4.38 6.94 -1.26 -4.92 115.26 113.95 1t3o n ASN 9 Ca 0.00 -0.79 -0.24 0.00 -0.02 0.00 0.00 54.58 53.53 1t3o n ASN 9 Cb 0.13 -1.35 0.07 0.00 -2.36 0.00 0.00 39.78 36.27 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1t3o s GLU 10 N -6.27 2.15 -0.04 -3.83 -1.05 -1.26 -5.09 118.70 103.30 1t3o s GLU 10 Ca 0.60 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.84 1t3o s GLU 10 Cb -0.35 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.02 1t3o s GLU 10 CO 0.74 -1.15 -0.04 0.00 0.95 0.00 0.00 175.26 175.76 1t3o s ALA 11 N -3.09 3.12 -0.37 -0.84 0.00 -1.26 -4.70 121.76 114.61 1t3o s ALA 11 Ca 0.61 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1t3o s ALA 11 Cb -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.78 1t3o s ALA 11 CO 0.43 0.60 0.18 0.42 0.00 0.00 0.00 175.76 177.40 1t3o s ILE 12 N -0.93 4.38 -0.36 0.00 -1.09 -1.18 -4.94 121.20 117.08 1t3o s ILE 12 Ca 0.15 -0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1t3o s ILE 12 Cb -0.11 -3.46 0.07 0.00 -1.58 0.00 0.00 42.46 37.38 1t3o s ILE 12 CO 0.05 -0.23 0.12 -1.58 -1.23 0.00 0.00 174.94 172.07 1t3o s GLN 13 N 1.51 2.32 -0.29 2.79 -0.44 -1.26 -2.47 119.66 121.83 1t3o s GLN 13 Ca 0.01 -1.48 0.01 0.00 -2.50 0.00 0.00 55.36 51.40 1t3o s GLN 13 Cb -0.19 -3.45 0.06 0.00 -1.64 0.00 0.00 33.01 27.79 1t3o s GLN 13 CO 0.06 -0.84 -0.04 0.96 0.50 0.00 0.00 175.29 175.93 1t3o s ILE 14 N 1.25 2.51 -1.83 -2.34 -0.00 0.21 -4.81 121.20 116.19 1t3o s ILE 14 Ca 0.01 -1.64 0.00 0.00 -0.00 0.00 0.00 60.65 59.03 1t3o s ILE 14 Cb -0.21 -2.51 0.00 0.00 -0.00 0.00 0.00 42.46 39.74 1t3o s ILE 14 CO -0.01 -0.14 0.00 0.61 -0.00 0.00 0.00 174.94 175.40 1t3o n GLY 15 N 4.49 0.83 4.01 6.27 0.00 -1.26 -2.64 105.19 116.88 1t3o n GLY 15 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1t3o n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3o n ALA 16 N -0.21 0.00 0.02 4.61 0.00 -1.26 -4.71 120.51 118.96 1t3o n ALA 16 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 1t3o n ALA 16 Cb 0.64 -0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.98 1t3o n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1t3o h ASP 17 N 0.00 0.57 -3.23 0.00 3.58 -1.88 -3.42 116.42 112.04 1t3o h ASP 17 Ca 0.00 -0.32 -0.43 0.00 0.42 0.00 0.00 57.03 56.70 1t3o h ASP 17 Cb 0.00 -0.17 -0.39 0.00 1.72 0.00 0.00 39.33 40.49 1t3o h ASP 17 CO 0.00 1.03 -0.75 -0.63 -2.88 0.00 0.00 179.24 176.01 1t3o s ILE 18 N -3.91 0.15 -0.11 2.25 -1.09 -1.16 -5.05 121.20 112.28 1t3o s ILE 18 Ca -0.07 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1t3o s ILE 18 Cb 0.11 -0.49 0.05 0.00 -1.58 0.00 0.00 42.46 40.55 1t3o s ILE 18 CO 0.84 0.06 0.08 -1.83 -1.23 0.00 0.00 174.94 172.85 1t3o s GLU 19 N 2.05 -0.00 0.00 2.79 -1.05 -1.24 -0.62 118.70 120.63 1t3o s GLU 19 Ca 0.04 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.99 1t3o s GLU 19 Cb -0.14 -1.21 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 1t3o s GLU 19 CO -0.06 -0.51 0.00 1.55 0.95 0.00 0.00 175.26 177.19 1t3o n VAL 20 N 5.29 0.00 -3.71 1.83 3.14 -1.03 -4.98 118.33 118.87 1t3o n VAL 20 Ca -0.05 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1t3o n VAL 20 Cb 0.49 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.13 1t3o n VAL 20 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1t3o s LYS 21 N -1.95 0.73 -0.44 1.45 -2.85 -1.26 -3.07 119.74 112.34 1t3o s LYS 21 Ca 0.00 -1.15 -0.14 0.00 -1.00 0.00 0.00 55.97 53.68 1t3o s LYS 21 Cb 0.00 -1.94 0.06 0.00 -2.06 0.00 0.00 37.83 33.89 1t3o s LYS 21 CO 0.00 -1.02 0.34 0.08 0.10 0.00 0.00 175.35 174.85 1t3o s VAL 22 N 1.50 5.01 -0.15 1.79 1.01 -1.24 -4.91 120.40 123.42 1t3o s VAL 22 Ca 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1t3o s VAL 22 Cb -0.18 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1t3o s VAL 22 CO -0.22 -0.49 0.53 -0.63 0.00 0.00 0.00 175.10 174.28 1t3o s ILE 23 N 1.60 5.13 0.40 2.22 1.01 -1.26 0.04 121.20 130.34 1t3o s ILE 23 Ca 0.04 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1t3o s ILE 23 Cb -0.23 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1t3o s ILE 23 CO 0.06 0.25 0.06 0.00 0.00 0.00 0.00 174.94 175.32 1t3o s ALA 24 N 1.07 2.97 -0.21 9.38 0.00 0.47 -4.97 121.76 130.47 1t3o s ALA 24 Ca 0.27 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 1t3o s ALA 24 Cb -0.16 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1t3o s ALA 24 CO 0.11 -0.24 0.54 0.14 0.00 0.00 0.00 175.76 176.32 1t3o s VAL 25 N -3.11 5.08 -0.60 0.00 -7.23 -1.26 -3.12 120.40 110.16 1t3o s VAL 25 Ca 0.27 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.44 1t3o s VAL 25 Cb 0.06 -3.86 0.44 0.00 0.56 0.00 0.00 36.38 33.57 1t3o s VAL 25 CO 0.13 0.14 1.81 1.21 -0.31 0.00 0.00 175.10 178.08 1t3o n GLU 26 N 5.02 2.93 0.00 4.82 4.07 -0.07 -4.95 120.64 132.47 1t3o n GLU 26 Ca -0.04 -3.57 0.00 0.00 -0.06 0.00 0.00 57.16 53.49 1t3o n GLU 26 Cb 0.50 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t3o n GLY 27 N -0.80 2.26 0.00 8.31 0.00 -1.26 -2.87 105.19 110.83 1t3o n GLY 27 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1t3o n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t3o n ASP 28 N 4.31 0.61 -4.55 1.61 5.75 -1.26 -5.07 116.55 117.95 1t3o n ASP 28 Ca 0.00 -1.29 -0.26 0.00 -0.01 0.00 0.00 54.79 53.24 1t3o n ASP 28 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1t3o s GLN 29 N -0.29 1.98 -0.17 0.11 0.74 -1.14 -5.12 119.66 115.78 1t3o s GLN 29 Ca 0.00 -1.39 -0.02 0.00 0.05 0.00 0.00 55.36 53.99 1t3o s GLN 29 Cb 0.00 -2.07 -0.02 0.00 1.10 0.00 0.00 33.01 32.03 1t3o s GLN 29 CO 0.00 0.40 -0.07 0.14 -0.55 0.00 0.00 175.29 175.21 1t3o s VAL 30 N -1.91 3.42 0.04 1.34 -7.23 -1.26 -0.89 120.40 113.91 1t3o s VAL 30 Ca 0.26 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1t3o s VAL 30 Cb -0.08 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1t3o s VAL 30 CO 0.15 0.48 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.76 1t3o s LYS 31 N 0.73 0.52 0.36 4.82 -2.85 -1.18 -2.95 119.74 119.19 1t3o s LYS 31 Ca -0.03 -0.69 0.04 0.00 -1.00 0.00 0.00 55.97 54.29 1t3o s LYS 31 Cb -0.15 -0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.29 1t3o s LYS 31 CO 0.02 0.06 0.52 -0.48 0.10 0.00 0.00 175.35 175.58 1t3o s LEU 32 N -1.38 3.91 -0.02 2.77 0.05 0.11 -0.40 118.68 123.72 1t3o s LEU 32 Ca -0.08 0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.11 1t3o s LEU 32 Cb -0.09 -2.91 0.02 0.00 -2.05 0.00 0.00 46.19 41.16 1t3o s LEU 32 CO 0.00 -0.47 0.01 -0.83 -0.55 0.00 0.00 176.35 174.51 1t3o s GLY 33 N -4.16 0.15 -0.24 -3.48 0.00 0.11 0.11 107.32 99.80 1t3o s GLY 33 Ca 0.45 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 1t3o s GLY 33 CO 0.33 0.47 0.24 -0.26 0.00 0.00 0.00 173.10 173.88 1t3o s ILE 34 N 0.78 5.30 -0.03 0.90 -4.36 0.71 -3.61 121.20 120.89 1t3o s ILE 34 Ca -0.07 0.33 0.07 0.00 -0.26 0.00 0.00 60.65 60.72 1t3o s ILE 34 Cb -0.10 -3.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.01 1t3o s ILE 34 CO -0.02 0.29 -0.25 -0.62 0.24 0.00 0.00 174.94 174.58 1t3o s ASP 35 N 1.23 3.12 0.06 4.36 2.15 -1.26 -0.57 116.67 125.77 1t3o s ASP 35 Ca 0.11 -0.46 0.01 0.00 0.43 0.00 0.00 52.55 52.64 1t3o s ASP 35 Cb -0.14 -0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 42.00 1t3o s ASP 35 CO 0.07 0.31 -0.06 0.00 -0.17 0.00 0.00 175.17 175.32 1t3o s ALA 36 N -0.56 0.64 -0.08 3.66 0.00 -1.02 -5.01 121.76 119.39 1t3o s ALA 36 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1t3o s ALA 36 Cb -0.11 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1t3o s ALA 36 CO -0.00 -0.15 0.40 -2.30 0.00 0.00 0.00 175.76 173.71 1t3o n PRO 37 N 0.83 0.42 -2.64 0.00 -0.02 -1.26 -3.83 135.00 128.49 1t3o n PRO 37 Ca -0.18 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.09 1t3o n PRO 37 Cb 0.57 -1.28 0.01 0.00 -0.02 0.00 0.00 33.50 32.78 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t3o n LYS 38 N 0.75 -2.85 0.00 -0.52 3.00 -1.26 -4.99 118.16 112.29 1t3o n LYS 38 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 1t3o n LYS 38 Cb 0.20 -5.64 0.00 0.00 0.00 0.00 0.00 35.03 29.59 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1t3o n HIS 39 N -4.10 -0.16 -4.37 5.64 1.44 -1.26 -5.04 115.22 107.36 1t3o n HIS 39 Ca -0.18 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.25 1t3o n HIS 39 Cb 0.65 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.65 1t3o n HIS 39 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1t3o s ILE 40 N 0.00 2.58 -0.25 0.61 -0.00 -1.26 -5.08 121.20 117.80 1t3o s ILE 40 Ca 0.00 -1.82 -0.23 0.00 -0.00 0.00 0.00 60.65 58.60 1t3o s ILE 40 Cb 0.00 -2.22 -0.01 0.00 -0.00 0.00 0.00 42.46 40.23 1t3o s ILE 40 CO 0.00 -0.04 0.74 1.51 -0.00 0.00 0.00 174.94 177.15 1t3o s ASP 41 N -2.50 6.72 0.37 4.36 -4.77 -1.26 -5.04 116.67 114.55 1t3o s ASP 41 Ca 0.20 0.89 -0.23 0.00 -3.30 0.00 0.00 52.55 50.10 1t3o s ASP 41 Cb -0.09 -2.39 -0.10 0.00 -1.09 0.00 0.00 42.92 39.24 1t3o s ASP 41 CO 0.10 -0.46 0.94 -0.63 0.70 0.00 0.00 175.17 175.82 1t3o s ILE 42 N 2.70 4.31 0.18 2.11 1.01 -1.26 -5.07 121.20 125.18 1t3o s ILE 42 Ca 0.31 1.64 -0.02 0.00 0.00 0.00 0.00 60.65 62.58 1t3o s ILE 42 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1t3o s ILE 42 CO 0.08 -0.08 0.12 -1.00 0.00 0.00 0.00 174.94 174.06 1t3o s HIS 43 N -1.89 0.99 0.00 3.97 3.76 -1.26 -4.76 115.29 116.10 1t3o s HIS 43 Ca 0.56 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1t3o s HIS 43 Cb -0.14 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1t3o s HIS 43 CO 0.18 -0.62 0.00 0.54 -0.85 0.00 0.00 174.74 174.00 1t3o n ARG 44 N -0.21 0.00 -0.02 1.40 1.74 -1.26 -4.93 116.66 113.38 1t3o n ARG 44 Ca -0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1t3o n ARG 44 Cb 0.65 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.04 1t3o n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1t3o n LYS 45 N 0.00 1.67 -4.17 5.56 5.02 -1.26 -4.99 118.16 119.99 1t3o n LYS 45 Ca 0.00 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1t3o n LYS 45 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1t3o s GLU 46 N -2.31 2.24 -0.25 1.97 1.03 -1.26 -5.10 118.70 115.02 1t3o s GLU 46 Ca -0.03 -2.08 -0.17 0.00 0.03 0.00 0.00 54.97 52.72 1t3o s GLU 46 Cb 0.03 -1.93 -0.03 0.00 -0.80 0.00 0.00 34.13 31.40 1t3o s GLU 46 CO 0.27 -0.44 0.47 0.96 -1.33 0.00 0.00 175.26 175.20 1t3o s ILE 47 N -2.76 5.11 -1.39 1.83 -4.36 -1.26 -4.74 121.20 113.64 1t3o s ILE 47 Ca 0.28 0.80 0.25 0.00 -0.26 0.00 0.00 60.65 61.72 1t3o s ILE 47 Cb 0.00 -3.79 0.12 0.00 1.25 0.00 0.00 42.46 40.05 1t3o s ILE 47 CO 0.17 0.13 1.46 0.00 0.24 0.00 0.00 174.94 176.94 1t3o n TYR 48 N 5.26 0.00 0.00 1.37 0.18 -1.26 -4.61 117.16 118.10 1t3o n TYR 48 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1t3o n TYR 48 Cb 0.50 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 1t3o n TYR 48 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1t3o n LEU 49 N -1.06 0.00 0.00 -3.48 4.77 -1.26 -4.85 117.00 111.13 1t3o n LEU 49 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1t3o n LEU 49 Cb 0.34 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1t3o n LEU 49 CO 0.31 -0.30 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1t3o n THR 50 N -2.06 0.00 0.40 -5.08 -1.04 -1.26 -4.73 114.28 100.51 1t3o n THR 50 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1t3o n THR 50 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1t3o n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1t3o h ILE 51 N 0.00 0.00 0.00 12.58 2.04 -1.97 0.44 117.51 130.60 1t3o h ILE 51 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1t3o h ILE 51 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1t3o h ILE 51 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 1t3o n GLN 52 N -4.92 0.14 -0.02 2.37 10.64 -1.26 -2.62 117.38 121.70 1t3o n GLN 52 Ca -0.13 0.09 -0.16 0.00 -1.83 0.00 0.00 57.00 54.97 1t3o n GLN 52 Cb 0.41 -1.64 -0.09 0.00 -0.86 0.00 0.00 30.24 28.06 1t3o n GLN 52 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1t3o h GLU 53 N 0.00 0.51 -0.59 2.61 4.22 -1.86 0.44 114.58 119.92 1t3o h GLU 53 Ca 0.00 -0.43 0.06 0.00 0.08 0.00 0.00 59.36 59.06 1t3o h GLU 53 Cb 0.62 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1t3o h GLU 53 CO 0.00 1.07 0.30 0.93 -2.18 0.00 0.00 179.01 179.13 1t3o h GLU 54 N 0.10 0.55 0.00 1.92 4.39 -0.13 -3.42 114.58 118.00 1t3o h GLU 54 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1t3o h GLU 54 Cb 1.18 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1t3o h GLU 54 CO 0.11 0.36 0.00 -1.71 -1.16 0.00 0.00 179.01 176.61 1t3o n ASN 55 N -4.86 0.00 0.00 1.42 2.85 -1.08 -4.42 115.26 109.18 1t3o n ASN 55 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1t3o n ASN 55 Cb 0.17 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3o n ASN 56 N 0.00 0.00 0.00 1.20 2.85 0.15 -3.67 115.26 115.79 1t3o n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1t3o n ASN 56 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1t3o n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1t3o n ARG 57 N 0.00 0.00 -2.79 1.20 1.85 -1.26 -4.36 116.66 111.30 1t3o n ARG 57 Ca 0.00 0.32 0.03 0.00 -1.00 0.00 0.00 57.85 57.20 1t3o n ARG 57 Cb 0.00 -0.80 0.01 0.00 -1.05 0.00 0.00 32.46 30.61 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o s ALA 58 N -3.19 -4.62 0.07 2.89 0.00 -1.24 -4.84 121.76 110.82 1t3o s ALA 58 Ca 0.00 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 1t3o s ALA 58 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1t3o s ALA 58 CO 0.00 -2.46 0.30 0.00 0.00 0.00 0.00 175.76 173.60 1t3o s ALA 59 N 2.15 3.86 0.00 0.00 0.00 -1.26 -4.37 121.76 122.13 1t3o s ALA 59 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1t3o s ALA 59 Cb 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1t3o s ALA 59 CO -0.17 0.69 0.00 0.00 0.00 0.00 0.00 175.76 176.28 1t3o n ALA 60 N 0.60 0.00 -1.99 0.00 0.00 -1.26 -4.93 120.51 112.93 1t3o n ALA 60 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1t3o n ALA 60 Cb 0.52 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3o s LEU 61 N 0.00 3.55 -0.67 0.00 2.01 -1.26 -1.87 118.68 120.45 1t3o s LEU 61 Ca 0.00 1.38 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1t3o s LEU 61 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.67 1t3o s LEU 61 CO 0.00 -1.65 0.00 -1.20 1.01 0.00 0.00 176.35 174.51 1t3o n SER 62 N 10.07 -5.70 -2.26 2.29 7.64 -1.26 -4.76 113.62 119.64 1t3o n SER 62 Ca 0.23 0.16 -0.06 0.00 1.01 0.00 0.00 58.87 60.20 1t3o n SER 62 Cb 0.46 -3.76 0.05 0.00 -1.01 0.00 0.00 64.21 59.96 1t3o n SER 62 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER 63 N -1.03 2.55 -4.50 6.43 7.64 -0.78 -5.06 113.62 118.86 1t3o n SER 63 Ca -0.06 -2.69 -0.41 0.00 1.01 0.00 0.00 58.87 56.71 1t3o n SER 63 Cb 0.53 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.22 1t3o n SER 63 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1t3o n ASP 64 N -0.54 1.29 0.00 6.43 9.92 -1.09 -4.54 116.55 128.01 1t3o n ASP 64 Ca 0.19 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1t3o n ASP 64 Cb 0.89 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1t3o n VAL 65 N 7.61 0.00 0.00 2.53 0.31 -1.26 -5.00 118.33 122.52 1t3o n VAL 65 Ca 0.52 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 65.24 1t3o n VAL 65 Cb 0.24 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1t3o n VAL 65 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1t3o n ILE 66 N -1.37 0.00 0.00 2.52 -6.64 -1.26 -5.03 119.36 107.57 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1t3o n ILE 66 Cb 0.00 -0.14 0.00 0.00 -1.44 0.00 0.00 39.64 38.06 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1t3o n SER 67 N -2.11 0.00 -4.55 7.28 2.88 -1.26 -4.76 113.62 111.10 1t3o n SER 67 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1t3o n SER 67 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3o s ALA 68 N 0.00 3.51 -0.15 -1.46 0.00 -1.26 -4.18 121.76 118.22 1t3o s ALA 68 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1t3o s ALA 68 Cb 0.00 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1t3o s ALA 68 CO 0.00 -0.95 0.20 1.28 0.00 0.00 0.00 175.76 176.29 1t3o n LEU 69 N 5.23 -5.72 -3.34 0.00 4.77 -1.26 -4.70 117.00 111.97 1t3o n LEU 69 Ca -0.11 2.13 -0.30 0.00 -0.03 0.00 0.00 56.01 57.70 1t3o n LEU 69 Cb 0.50 -3.04 -0.03 0.00 -2.33 0.00 0.00 43.42 38.52 1t3o n LEU 69 CO 0.38 -3.51 2.25 -1.20 -1.33 0.00 0.00 177.39 173.98 1t3o n SER 70 N 1.54 3.96 0.00 -1.43 7.64 -1.26 -4.02 113.62 120.04 1t3o n SER 70 Ca -0.34 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1t3o n SER 70 Cb 0.53 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1t3o n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1t3o n SER 71 N 5.43 -0.30 -4.45 6.43 2.88 -1.26 -4.93 113.62 117.42 1t3o n SER 71 Ca 0.46 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.56 1t3o n SER 71 Cb 0.23 -1.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.07 1t3o n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3o s GLN 72 N -0.63 3.04 -0.54 -1.46 1.03 -1.26 -5.02 119.66 114.82 1t3o s GLN 72 Ca 0.00 -1.00 -0.22 0.00 0.04 0.00 0.00 55.36 54.18 1t3o s GLN 72 Cb 0.00 -4.04 0.05 0.00 0.03 0.00 0.00 33.01 29.05 1t3o s GLN 72 CO 0.00 -0.94 0.83 -1.59 -2.54 0.00 0.00 175.29 171.05 1t3o s LYS 73 N 1.99 3.25 0.00 9.60 0.00 -1.26 -4.87 119.74 128.45 1t3o s LYS 73 Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 55.97 55.56 1t3o s LYS 73 Cb -0.20 -4.08 0.01 0.00 0.00 0.00 0.00 37.83 33.56 1t3o s LYS 73 CO 0.11 -1.41 0.52 1.63 0.00 0.00 0.00 175.35 176.20