#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 -7.74 -0.21 4.39 2.88 -1.26 -4.96 113.62 106.72 1t3o n SER -8 Ca 0.00 0.27 0.02 0.00 -1.33 0.00 0.00 58.87 57.83 1t3o n SER -8 Cb 0.00 -5.14 0.05 0.00 -0.75 0.00 0.00 64.21 58.37 1t3o n SER -8 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1t3o n SER -7 N -0.85 2.30 -1.07 -3.46 2.88 -1.26 -4.62 113.62 107.54 1t3o n SER -7 Ca 0.06 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1t3o n SER -7 Cb 0.49 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3o n GLY -6 N -0.18 2.07 3.30 0.46 0.00 -1.26 -4.75 105.19 104.83 1t3o n GLY -6 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.99 -0.05 1.61 5.65 -1.26 -5.10 115.29 119.14 1t3o s HIS -5 Ca 0.00 -1.00 -0.14 0.00 0.25 0.00 0.00 55.06 54.17 1t3o s HIS -5 Cb 0.00 -2.12 -0.05 0.00 -1.18 0.00 0.00 32.58 29.23 1t3o s HIS -5 CO 0.00 -0.57 0.38 -1.50 -0.65 0.00 0.00 174.74 172.40 1t3o s ILE -4 N 1.47 5.13 -0.39 0.89 2.07 -1.26 -4.97 121.20 124.13 1t3o s ILE -4 Ca 0.05 0.76 0.10 0.00 -1.41 0.00 0.00 60.65 60.14 1t3o s ILE -4 Cb -0.15 -3.69 0.63 0.00 0.13 0.00 0.00 42.46 39.39 1t3o s ILE -4 CO -0.03 0.52 1.53 -0.62 -1.91 0.00 0.00 174.94 174.44 1t3o n GLU -3 N 2.33 3.73 -2.47 3.50 -0.58 -1.26 -4.86 120.64 121.04 1t3o n GLU -3 Ca -0.13 -2.48 -0.16 0.00 -0.42 0.00 0.00 57.16 53.96 1t3o n GLU -3 Cb 0.52 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t3o n GLY -2 N 0.26 -0.28 3.93 0.62 0.00 -1.26 -4.88 105.19 103.59 1t3o n GLY -2 Ca 0.27 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.99 2.74 -0.01 1.61 1.70 -1.26 -4.86 118.95 113.88 1t3o s ARG -1 Ca 0.07 -0.21 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 1t3o s ARG -1 Cb -0.03 -2.31 -0.01 0.00 -0.57 0.00 0.00 34.95 32.03 1t3o s ARG -1 CO 0.09 -0.77 -0.12 -3.38 -1.08 0.00 0.00 175.30 170.04 1t3o s HIS 0 N -2.97 1.10 -0.30 5.89 -3.43 -1.26 -4.99 115.29 109.34 1t3o s HIS 0 Ca 0.55 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1t3o s HIS 0 Cb -0.10 -0.71 0.06 0.00 -1.43 0.00 0.00 32.58 30.40 1t3o s HIS 0 CO 0.43 -0.02 -0.02 1.41 -2.00 0.00 0.00 174.74 174.54 1t3o s MET 1 N -0.28 2.25 -0.24 -0.38 1.75 -1.26 -3.08 119.30 118.06 1t3o s MET 1 Ca 0.04 -1.38 -0.09 0.00 -1.25 0.00 0.00 55.69 53.01 1t3o s MET 1 Cb -0.05 -3.10 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 1t3o s MET 1 CO -0.00 -0.66 0.13 -1.17 -0.65 0.00 0.00 175.02 172.67 1t3o s LEU 2 N 1.16 3.90 -0.24 4.11 1.98 -0.68 -4.93 118.68 123.97 1t3o s LEU 2 Ca -0.04 0.01 -0.10 0.00 -2.89 0.00 0.00 54.13 51.11 1t3o s LEU 2 Cb -0.20 -2.05 -0.05 0.00 0.66 0.00 0.00 46.19 44.56 1t3o s LEU 2 CO -0.03 0.03 0.14 0.54 -1.89 0.00 0.00 176.35 175.13 1t3o s VAL 3 N 1.26 5.09 -0.07 1.68 0.11 -1.26 -0.38 120.40 126.82 1t3o s VAL 3 Ca 0.06 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1t3o s VAL 3 Cb -0.14 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.31 1t3o s VAL 3 CO 0.05 0.34 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.89 1t3o s LEU 4 N 1.18 3.21 -0.40 2.54 1.98 0.34 -4.83 118.68 122.70 1t3o s LEU 4 Ca 0.06 -0.01 -0.24 0.00 -2.89 0.00 0.00 54.13 51.05 1t3o s LEU 4 Cb -0.14 -1.71 0.02 0.00 0.66 0.00 0.00 46.19 45.02 1t3o s LEU 4 CO 0.05 0.35 0.83 -0.94 -1.89 0.00 0.00 176.35 174.75 1t3o s SER 5 N -0.76 6.53 -0.16 3.68 1.04 -1.26 -0.76 113.70 122.00 1t3o s SER 5 Ca 0.12 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 1t3o s SER 5 Cb -0.11 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.68 1t3o s SER 5 CO 0.02 -0.85 0.30 -0.60 0.98 0.00 0.00 173.24 173.09 1t3o s ARG 6 N 3.31 0.21 -0.56 4.02 6.06 -1.18 -4.92 118.95 125.90 1t3o s ARG 6 Ca 0.33 0.73 -0.02 0.00 -2.50 0.00 0.00 55.73 54.27 1t3o s ARG 6 Cb -0.12 -0.12 0.34 0.00 0.06 0.00 0.00 34.95 35.10 1t3o s ARG 6 CO 0.20 -0.35 2.08 1.63 -2.50 0.00 0.00 175.30 176.36 1t3o n LYS 7 N 5.36 2.39 0.00 5.12 4.01 -1.22 -3.55 118.16 130.27 1t3o n LYS 7 Ca -0.06 -2.69 0.00 0.00 -0.51 0.00 0.00 58.31 55.05 1t3o n LYS 7 Cb 0.50 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3o n ILE 8 N -0.35 0.00 -3.04 -0.18 5.41 -1.26 -5.01 119.36 114.93 1t3o n ILE 8 Ca 0.50 -0.21 -0.15 0.00 1.00 0.00 0.00 62.75 63.89 1t3o n ILE 8 Cb 0.59 0.77 -0.02 0.00 -0.71 0.00 0.00 39.64 40.27 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 -0.76 -2.23 -3.14 4.38 0.23 -1.23 -4.94 115.26 107.57 1t3o n ASN 9 Ca 0.00 -0.05 -0.15 0.00 -0.53 0.00 0.00 54.58 53.85 1t3o n ASN 9 Cb 0.00 -1.95 0.10 0.00 -2.08 0.00 0.00 39.78 35.85 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1t3o n GLU 10 N -3.10 -0.43 -4.47 -3.83 0.28 -1.26 -5.06 120.64 102.77 1t3o n GLU 10 Ca -0.01 -1.23 -0.33 0.00 -0.16 0.00 0.00 57.16 55.43 1t3o n GLU 10 Cb 0.52 -0.63 -0.10 0.00 1.43 0.00 0.00 31.44 32.65 1t3o n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1t3o s ALA 11 N -3.69 3.10 -0.37 -1.84 0.00 -1.26 -4.68 121.76 113.03 1t3o s ALA 11 Ca 0.40 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1t3o s ALA 11 Cb -0.01 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.88 1t3o s ALA 11 CO 0.27 0.60 0.18 0.42 0.00 0.00 0.00 175.76 177.23 1t3o s ILE 12 N -0.93 4.22 -0.39 0.00 -1.09 -1.19 -4.94 121.20 116.88 1t3o s ILE 12 Ca 0.15 -1.05 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 1t3o s ILE 12 Cb -0.11 -3.41 0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1t3o s ILE 12 CO 0.05 -0.26 0.18 -1.58 -1.23 0.00 0.00 174.94 172.10 1t3o s GLN 13 N 1.47 2.23 -0.19 2.79 2.00 -1.25 -2.51 119.66 124.21 1t3o s GLN 13 Ca 0.01 -1.63 -0.00 0.00 -2.00 0.00 0.00 55.36 51.73 1t3o s GLN 13 Cb -0.20 -3.56 0.01 0.00 0.80 0.00 0.00 33.01 30.07 1t3o s GLN 13 CO 0.04 -0.96 -0.15 0.96 -0.50 0.00 0.00 175.29 174.68 1t3o s ILE 14 N 1.23 2.47 -0.93 -2.34 -0.00 -0.06 -4.74 121.20 116.83 1t3o s ILE 14 Ca 0.04 -0.80 0.00 0.00 -0.00 0.00 0.00 60.65 59.89 1t3o s ILE 14 Cb -0.22 -2.07 0.00 0.00 -0.00 0.00 0.00 42.46 40.17 1t3o s ILE 14 CO -0.02 0.50 0.00 0.61 -0.00 0.00 0.00 174.94 176.03 1t3o n GLY 15 N 4.65 0.94 3.20 6.27 0.00 -1.26 -2.42 105.19 116.57 1t3o n GLY 15 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.16 0.00 -0.07 4.61 0.00 -1.26 -4.79 120.51 120.16 1t3o n ALA 16 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1t3o n ALA 16 Cb 0.46 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1t3o n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1t3o n ASP 17 N -0.36 1.95 -4.10 0.00 2.03 -1.02 -4.87 116.55 110.19 1t3o n ASP 17 Ca 0.00 0.35 -0.33 0.00 0.52 0.00 0.00 54.79 55.33 1t3o n ASP 17 Cb 0.18 -0.93 -0.16 0.00 -0.72 0.00 0.00 41.12 39.50 1t3o n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1t3o s ILE 18 N -2.43 2.11 -0.15 5.18 -1.09 -1.18 -5.03 121.20 118.62 1t3o s ILE 18 Ca -0.27 -1.19 -0.02 0.00 -2.23 0.00 0.00 60.65 56.94 1t3o s ILE 18 Cb 0.06 -2.02 0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1t3o s ILE 18 CO 0.64 0.33 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.98 1t3o s GLU 19 N 1.22 0.94 -0.23 2.79 2.12 -1.22 -0.88 118.70 123.43 1t3o s GLU 19 Ca -0.00 -0.32 -0.27 0.00 0.36 0.00 0.00 54.97 54.73 1t3o s GLU 19 Cb -0.16 -1.78 0.13 0.00 0.26 0.00 0.00 34.13 32.58 1t3o s GLU 19 CO -0.10 -0.48 1.07 0.54 -0.54 0.00 0.00 175.26 175.75 1t3o s VAL 20 N 1.80 0.00 -0.31 3.70 0.11 -1.04 -4.95 120.40 119.71 1t3o s VAL 20 Ca 0.01 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1t3o s VAL 20 Cb -0.15 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1t3o s VAL 20 CO -0.07 0.00 0.09 -1.59 -3.33 0.00 0.00 175.10 170.20 1t3o s LYS 21 N -0.41 0.76 -0.49 1.54 0.00 -1.26 -3.15 119.74 116.73 1t3o s LYS 21 Ca 0.02 -1.08 -0.18 0.00 0.00 0.00 0.00 55.97 54.73 1t3o s LYS 21 Cb -0.03 -2.05 0.06 0.00 0.00 0.00 0.00 37.83 35.81 1t3o s LYS 21 CO -0.04 -0.96 0.56 0.08 0.00 0.00 0.00 175.35 174.99 1t3o s VAL 22 N 1.59 4.96 -0.26 1.79 1.01 -0.77 -4.87 120.40 123.86 1t3o s VAL 22 Ca 0.09 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1t3o s VAL 22 Cb -0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1t3o s VAL 22 CO -0.24 -0.72 0.54 -0.63 0.00 0.00 0.00 175.10 174.05 1t3o s ILE 23 N 2.40 5.05 0.06 2.22 1.01 -1.26 0.54 121.20 131.23 1t3o s ILE 23 Ca 0.13 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.77 1t3o s ILE 23 Cb -0.20 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1t3o s ILE 23 CO 0.11 0.07 -0.19 0.00 0.00 0.00 0.00 174.94 174.93 1t3o s ALA 24 N 2.35 1.59 -0.29 9.38 0.00 -0.19 -5.01 121.76 129.59 1t3o s ALA 24 Ca 0.22 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1t3o s ALA 24 Cb -0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1t3o s ALA 24 CO 0.09 0.33 0.60 0.08 0.00 0.00 0.00 175.76 176.86 1t3o s VAL 25 N -0.97 4.97 -0.13 0.00 1.01 -1.26 -2.41 120.40 121.62 1t3o s VAL 25 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1t3o s VAL 25 Cb -0.09 -3.96 0.14 0.00 0.00 0.00 0.00 36.38 32.47 1t3o s VAL 25 CO 0.02 -0.08 1.55 1.21 0.00 0.00 0.00 175.10 177.80 1t3o n GLU 26 N 5.79 1.34 0.00 2.72 2.13 0.23 -4.84 120.64 128.01 1t3o n GLU 26 Ca -0.02 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 57.06 1t3o n GLU 26 Cb 0.49 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1t3o n GLY 27 N 0.45 1.48 0.00 8.31 0.00 -1.26 -3.62 105.19 110.56 1t3o n GLY 27 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1t3o n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3o n ASP 28 N 3.77 0.93 -4.02 1.61 2.03 -1.26 -5.07 116.55 114.54 1t3o n ASP 28 Ca 0.00 -1.45 -0.08 0.00 0.52 0.00 0.00 54.79 53.78 1t3o n ASP 28 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1t3o s GLN 29 N -0.45 0.43 -0.21 -0.67 0.74 -1.24 -5.14 119.66 113.12 1t3o s GLN 29 Ca 0.00 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.53 1t3o s GLN 29 Cb 0.00 0.13 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 1t3o s GLN 29 CO 0.00 -0.07 -0.04 0.14 -0.55 0.00 0.00 175.29 174.77 1t3o s VAL 30 N -2.37 3.46 0.03 1.34 -7.23 -1.26 0.76 120.40 115.13 1t3o s VAL 30 Ca -0.07 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1t3o s VAL 30 Cb -0.03 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1t3o s VAL 30 CO -0.04 0.43 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.53 1t3o s LYS 31 N 1.31 0.45 0.39 4.82 -2.85 -1.01 -3.08 119.74 119.77 1t3o s LYS 31 Ca 0.04 -0.70 0.03 0.00 -1.00 0.00 0.00 55.97 54.34 1t3o s LYS 31 Cb -0.14 -0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.47 1t3o s LYS 31 CO -0.02 0.01 0.58 -0.48 0.10 0.00 0.00 175.35 175.54 1t3o s LEU 32 N -1.52 3.81 0.00 2.77 0.05 0.06 -1.02 118.68 122.83 1t3o s LEU 32 Ca -0.12 0.09 -0.02 0.00 0.05 0.00 0.00 54.13 54.12 1t3o s LEU 32 Cb -0.10 -2.98 -0.01 0.00 -2.05 0.00 0.00 46.19 41.05 1t3o s LEU 32 CO -0.00 -0.56 0.04 -0.83 -0.55 0.00 0.00 176.35 174.44 1t3o s GLY 33 N -4.19 0.09 -0.33 -3.48 0.00 0.19 0.13 107.32 99.73 1t3o s GLY 33 Ca 0.46 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.90 1t3o s GLY 33 CO 0.35 -0.27 0.12 -0.26 0.00 0.00 0.00 173.10 173.03 1t3o s ILE 34 N -0.86 4.06 -0.08 0.90 -4.36 0.49 -1.85 121.20 119.50 1t3o s ILE 34 Ca -0.09 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1t3o s ILE 34 Cb -0.06 -3.19 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 1t3o s ILE 34 CO -0.00 -0.07 -0.08 1.51 0.24 0.00 0.00 174.94 176.54 1t3o s ASP 35 N 1.48 4.52 0.06 4.36 1.47 -1.26 -1.69 116.67 125.61 1t3o s ASP 35 Ca 0.01 -0.09 0.01 0.00 1.18 0.00 0.00 52.55 53.66 1t3o s ASP 35 Cb -0.18 -1.24 -0.03 0.00 -0.34 0.00 0.00 42.92 41.12 1t3o s ASP 35 CO 0.04 0.32 -0.05 0.00 0.68 0.00 0.00 175.17 176.15 1t3o s ALA 36 N -0.54 0.61 -0.28 2.11 0.00 -1.18 -5.00 121.76 117.48 1t3o s ALA 36 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1t3o s ALA 36 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1t3o s ALA 36 CO 0.02 -0.22 0.34 -0.35 0.00 0.00 0.00 175.76 175.54 1t3o n PRO 37 N 0.57 0.39 -2.71 0.00 -0.04 -1.26 -3.99 135.00 127.97 1t3o n PRO 37 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1t3o n PRO 37 Cb 0.59 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t3o n LYS 38 N 0.66 -3.21 -0.74 0.54 0.00 -1.26 -4.88 118.16 109.26 1t3o n LYS 38 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 58.31 58.81 1t3o n LYS 38 Cb 0.17 -5.33 0.25 0.00 0.00 0.00 0.00 35.03 30.12 1t3o n LYS 38 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1t3o s HIS 39 N -3.01 0.79 0.49 5.64 -3.43 -1.26 -5.01 115.29 109.51 1t3o s HIS 39 Ca 0.17 0.82 -0.19 0.00 -0.80 0.00 0.00 55.06 55.06 1t3o s HIS 39 Cb -0.07 -3.16 -0.08 0.00 -1.43 0.00 0.00 32.58 27.84 1t3o s HIS 39 CO 0.21 -4.01 1.00 0.96 -2.00 0.00 0.00 174.74 170.90 1t3o s ILE 40 N -2.63 4.22 -0.44 -5.38 -0.00 -1.26 -5.01 121.20 110.69 1t3o s ILE 40 Ca 0.68 1.23 -0.15 0.00 -0.00 0.00 0.00 60.65 62.41 1t3o s ILE 40 Cb -0.17 -3.57 0.05 0.00 -0.00 0.00 0.00 42.46 38.77 1t3o s ILE 40 CO 0.60 -0.45 0.35 1.51 -0.00 0.00 0.00 174.94 176.95 1t3o s ASP 41 N -2.51 6.10 0.38 4.36 -4.77 -1.26 -5.06 116.67 113.90 1t3o s ASP 41 Ca 0.62 -1.18 -0.24 0.00 -3.30 0.00 0.00 52.55 48.46 1t3o s ASP 41 Cb -0.12 -2.16 -0.10 0.00 -1.09 0.00 0.00 42.92 39.45 1t3o s ASP 41 CO 0.24 -0.56 0.98 -0.63 0.70 0.00 0.00 175.17 175.89 1t3o s ILE 42 N 1.64 4.11 0.17 2.11 -1.09 -1.26 -5.06 121.20 121.83 1t3o s ILE 42 Ca 0.04 1.58 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 1t3o s ILE 42 Cb -0.22 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1t3o s ILE 42 CO 0.08 -0.03 0.03 -1.00 -1.23 0.00 0.00 174.94 172.79 1t3o s HIS 43 N -1.79 1.13 0.00 3.97 3.76 -1.26 -4.69 115.29 116.41 1t3o s HIS 43 Ca 0.56 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1t3o s HIS 43 Cb -0.17 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.88 1t3o s HIS 43 CO 0.22 -0.32 0.00 -2.13 -0.85 0.00 0.00 174.74 171.66 1t3o n ARG 44 N -0.22 3.30 -1.72 1.40 0.63 -1.26 -4.93 116.66 113.87 1t3o n ARG 44 Ca -0.06 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.45 1t3o n ARG 44 Cb 0.64 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.52 1t3o n ARG 44 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1t3o s LYS 45 N 2.33 4.15 -0.61 -0.14 2.20 -1.26 -3.04 119.74 123.36 1t3o s LYS 45 Ca 0.00 2.56 -0.02 0.00 -0.36 0.00 0.00 55.97 58.15 1t3o s LYS 45 Cb 0.00 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1t3o s LYS 45 CO 0.00 -0.91 0.53 0.39 -0.36 0.00 0.00 175.35 175.00 1t3o n GLU 46 N 6.92 -3.53 -1.93 4.03 1.02 -1.26 -4.64 120.64 121.24 1t3o n GLU 46 Ca 0.19 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1t3o n GLU 46 Cb 0.40 -4.11 0.00 0.00 -0.02 0.00 0.00 31.44 27.72 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1t3o n ILE 47 N -3.19 -3.04 1.11 -3.67 -5.35 -1.17 -4.90 119.36 99.15 1t3o n ILE 47 Ca -0.05 0.74 0.12 0.00 -0.27 0.00 0.00 62.75 63.29 1t3o n ILE 47 Cb 0.55 -2.22 0.28 0.00 -1.74 0.00 0.00 39.64 36.51 1t3o n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3o n TYR 48 N 1.84 0.00 0.00 4.28 0.18 -1.26 -4.58 117.16 117.62 1t3o n TYR 48 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1t3o n TYR 48 Cb 0.00 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 38.80 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 -1.03 0.00 0.00 -3.48 4.77 -1.26 -4.84 117.00 111.16 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 0.35 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1t3o n LEU 49 CO 0.31 -0.37 0.00 0.41 -1.33 0.00 0.00 177.39 176.41 1t3o n THR 50 N -2.21 0.00 0.29 -5.08 -1.04 -1.26 -4.73 114.28 100.25 1t3o n THR 50 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1t3o n THR 50 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -0.01 12.58 2.04 -1.98 0.43 117.51 130.57 1t3o h ILE 51 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 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 -0.02 0.00 0.00 0.00 0.00 178.15 178.13 1t3o n GLN 52 N -4.14 1.53 0.12 2.37 10.64 -1.26 -1.77 117.38 124.86 1t3o n GLN 52 Ca -0.09 -0.85 -0.24 0.00 -1.83 0.00 0.00 57.00 53.99 1t3o n GLN 52 Cb 0.29 -1.48 -0.16 0.00 -0.86 0.00 0.00 30.24 28.03 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 2.07 0.48 -0.16 2.61 4.57 -1.87 -0.46 114.58 121.81 1t3o h GLU 53 Ca 0.00 -0.82 -0.06 0.00 -1.18 0.00 0.00 59.36 57.30 1t3o h GLU 53 Cb 0.47 0.31 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1t3o h GLU 53 CO 0.00 1.39 -0.12 0.93 -1.18 0.00 0.00 179.01 180.03 1t3o h GLU 54 N 0.09 0.37 0.00 1.92 4.39 -0.16 -3.41 114.58 117.79 1t3o h GLU 54 Ca -0.28 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1t3o h GLU 54 Cb 2.11 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1t3o h GLU 54 CO 0.24 0.72 0.00 -1.71 -1.16 0.00 0.00 179.01 177.09 1t3o n ASN 55 N -4.57 0.00 0.00 1.42 4.05 -0.73 -4.67 115.26 110.76 1t3o n ASN 55 Ca -0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1t3o n ASN 55 Cb 0.34 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.35 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1t3o n ASN 56 N 0.00 0.00 0.04 1.20 2.85 -0.18 -3.24 115.26 115.92 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 -2.86 1.20 -4.01 -1.26 -4.85 116.66 104.88 1t3o n ARG 57 Ca 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 57.85 56.77 1t3o n ARG 57 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3o s ALA 58 N -2.00 -2.00 0.34 2.89 0.00 -1.20 -5.08 121.76 114.71 1t3o s ALA 58 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1t3o s ALA 58 Cb 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1t3o s ALA 58 CO 0.00 -2.23 0.48 0.00 0.00 0.00 0.00 175.76 174.01 1t3o s ALA 59 N 0.99 4.27 0.35 0.00 0.00 -1.26 -4.41 121.76 121.70 1t3o s ALA 59 Ca 0.28 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1t3o s ALA 59 Cb -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1t3o s ALA 59 CO -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 175.76 175.65 1t3o n ALA 60 N -1.66 0.00 -2.47 0.00 0.00 -1.26 -4.88 120.51 110.24 1t3o n ALA 60 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1t3o n ALA 60 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1t3o s LEU 61 N 0.00 3.35 0.00 0.00 2.34 -1.26 -4.42 118.68 118.70 1t3o s LEU 61 Ca 0.00 -0.72 0.00 0.00 0.06 0.00 0.00 54.13 53.47 1t3o s LEU 61 Cb 0.00 -1.88 0.00 0.00 -0.56 0.00 0.00 46.19 43.75 1t3o s LEU 61 CO 0.00 -0.38 0.00 -1.20 -1.06 0.00 0.00 176.35 173.71 1t3o n SER 62 N -1.27 0.00 0.20 1.48 7.64 -1.26 -1.12 113.62 119.30 1t3o n SER 62 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.96 1t3o n SER 62 Cb 0.61 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.95 1t3o n SER 62 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1t3o h SER 63 N 0.00 0.00 -5.85 6.43 0.87 -1.93 -3.43 113.55 109.64 1t3o h SER 63 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1t3o h SER 63 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1t3o h SER 63 CO 0.00 0.09 -0.99 -0.67 -0.53 0.00 0.00 176.83 174.73 1t3o n ASP 64 N -3.10 -7.16 0.00 6.23 2.03 -0.27 -5.00 116.55 109.28 1t3o n ASP 64 Ca 0.03 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1t3o n ASP 64 Cb 0.57 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1t3o n VAL 65 N 0.93 0.00 0.00 5.18 0.31 -1.26 -4.82 118.33 118.67 1t3o n VAL 65 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1t3o n VAL 65 Cb 0.31 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1t3o n VAL 65 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1t3o n ILE 66 N -0.32 0.00 0.00 2.52 5.41 -1.26 -4.93 119.36 120.78 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1t3o n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1t3o n SER 67 N -0.27 0.00 -4.60 4.38 2.88 -1.26 -4.60 113.62 110.15 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 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 3.54 0.00 -1.46 0.00 -1.26 -4.49 121.76 118.09 1t3o s ALA 68 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1t3o s ALA 68 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1t3o s ALA 68 CO 0.00 -0.94 0.00 1.28 0.00 0.00 0.00 175.76 176.10 1t3o n LEU 69 N 5.65 0.00 0.00 0.00 4.77 -1.26 -4.69 117.00 121.47 1t3o n LEU 69 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1t3o n LEU 69 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1t3o n LEU 69 CO 0.42 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.28 1t3o n SER 70 N 1.27 0.00 0.06 -1.43 7.64 -1.26 -3.85 113.62 116.04 1t3o n SER 70 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1t3o n SER 70 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1t3o n SER 70 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t3o h SER 71 N 0.00 0.74 -4.29 6.43 0.02 -1.99 -3.45 113.55 111.01 1t3o h SER 71 Ca 0.00 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1t3o h SER 71 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1t3o h SER 71 CO 0.00 1.48 -0.76 0.00 -1.14 0.00 0.00 176.83 176.41 1t3o n GLN 72 N -3.96 -4.09 -2.33 3.45 6.02 -1.25 -4.88 117.38 110.35 1t3o n GLN 72 Ca -0.13 3.07 -0.43 0.00 -0.01 0.00 0.00 57.00 59.50 1t3o n GLN 72 Cb 0.87 -3.68 -0.02 0.00 1.02 0.00 0.00 30.24 28.43 1t3o n GLN 72 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1t3o s LYS 73 N -0.99 3.92 0.00 -1.09 0.00 -1.26 -5.16 119.74 115.16 1t3o s LYS 73 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 55.97 57.45 1t3o s LYS 73 Cb 0.00 -3.91 0.04 0.00 0.00 0.00 0.00 37.83 33.96 1t3o s LYS 73 CO 0.00 -1.12 0.67 1.63 0.00 0.00 0.00 175.35 176.53