#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o s SER -8 N 0.00 4.69 -2.17 0.26 0.01 -1.26 -4.64 113.70 110.59 1t3o s SER -8 Ca 0.00 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1t3o s SER -8 Cb 0.00 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1t3o s SER -8 CO 0.00 -0.38 0.00 -1.20 0.41 0.00 0.00 173.24 172.07 1t3o n SER -7 N -1.21 -5.49 -0.20 2.44 7.64 -1.26 -4.79 113.62 110.74 1t3o n SER -7 Ca -0.02 0.49 0.14 0.00 1.01 0.00 0.00 58.87 60.49 1t3o n SER -7 Cb 0.62 -4.79 0.62 0.00 -1.01 0.00 0.00 64.21 59.65 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3o n GLY -6 N -0.47 -0.68 3.58 0.23 0.00 -1.26 -4.74 105.19 101.85 1t3o n GLY -6 Ca -0.21 -0.32 -0.42 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 -2.27 2.44 -0.27 1.61 5.65 -1.26 -4.99 115.29 116.21 1t3o s HIS -5 Ca 0.34 0.38 -0.18 0.00 0.25 0.00 0.00 55.06 55.86 1t3o s HIS -5 Cb 0.21 -4.48 -0.03 0.00 -1.18 0.00 0.00 32.58 27.10 1t3o s HIS -5 CO 0.43 -1.80 0.52 0.96 -0.65 0.00 0.00 174.74 174.19 1t3o s ILE -4 N 5.48 5.06 -0.77 0.89 -0.00 -1.26 -4.91 121.20 125.69 1t3o s ILE -4 Ca 0.46 0.84 0.06 0.00 -0.00 0.00 0.00 60.65 62.01 1t3o s ILE -4 Cb -0.09 -3.84 0.35 0.00 -0.00 0.00 0.00 42.46 38.88 1t3o s ILE -4 CO 0.24 0.06 1.06 -0.62 -0.00 0.00 0.00 174.94 175.68 1t3o n GLU -3 N 5.56 2.62 -0.71 0.37 1.02 -1.26 -4.37 120.64 123.87 1t3o n GLU -3 Ca -0.04 -1.35 -0.05 0.00 -0.02 0.00 0.00 57.16 55.70 1t3o n GLU -3 Cb 0.50 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t3o n GLY -2 N 0.33 2.70 3.07 0.62 0.00 -1.26 -4.75 105.19 105.89 1t3o n GLY -2 Ca 0.12 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 0.45 0.81 -0.18 1.61 1.70 -1.26 -4.10 118.95 117.98 1t3o s ARG -1 Ca 0.29 -0.49 -0.03 0.00 -0.47 0.00 0.00 55.73 55.02 1t3o s ARG -1 Cb 0.14 -0.78 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 1t3o s ARG -1 CO 0.00 0.20 -0.06 -3.38 -1.08 0.00 0.00 175.30 170.99 1t3o s HIS 0 N -0.49 2.95 -0.26 5.89 -3.43 -1.15 -4.96 115.29 113.83 1t3o s HIS 0 Ca 0.02 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 1t3o s HIS 0 Cb -0.05 -2.00 0.04 0.00 -1.43 0.00 0.00 32.58 29.14 1t3o s HIS 0 CO 0.00 -0.31 -0.07 1.41 -2.00 0.00 0.00 174.74 173.77 1t3o s MET 1 N 0.88 2.53 -0.14 -0.38 0.00 -1.26 -2.38 119.30 118.56 1t3o s MET 1 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 55.69 54.50 1t3o s MET 1 Cb -0.15 -2.97 -0.01 0.00 0.00 0.00 0.00 34.83 31.71 1t3o s MET 1 CO 0.01 -0.50 -0.14 -1.17 0.00 0.00 0.00 175.02 173.21 1t3o s LEU 2 N 1.22 2.61 -0.16 4.11 1.98 -0.43 -4.80 118.68 123.22 1t3o s LEU 2 Ca -0.04 -0.38 -0.15 0.00 -2.89 0.00 0.00 54.13 50.66 1t3o s LEU 2 Cb -0.18 -1.59 -0.04 0.00 0.66 0.00 0.00 46.19 45.04 1t3o s LEU 2 CO -0.04 0.14 0.37 0.68 -1.89 0.00 0.00 176.35 175.60 1t3o s VAL 3 N 0.48 5.25 -0.08 1.68 -7.23 -1.26 -0.36 120.40 118.89 1t3o s VAL 3 Ca -0.10 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.77 1t3o s VAL 3 Cb -0.16 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 1t3o s VAL 3 CO 0.05 0.34 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.32 1t3o s LEU 4 N 0.70 2.98 -0.51 1.32 1.43 0.23 -4.95 118.68 119.89 1t3o s LEU 4 Ca 0.20 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 52.93 1t3o s LEU 4 Cb -0.14 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1t3o s LEU 4 CO 0.06 0.31 0.88 -0.44 0.23 0.00 0.00 176.35 177.40 1t3o s SER 5 N -0.52 6.38 -0.15 2.29 0.01 -1.26 0.36 113.70 120.82 1t3o s SER 5 Ca 0.07 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 1t3o s SER 5 Cb -0.12 -2.42 0.07 0.00 0.21 0.00 0.00 66.02 63.77 1t3o s SER 5 CO 0.02 -1.10 0.27 -0.60 0.41 0.00 0.00 173.24 172.23 1t3o s ARG 6 N 3.69 0.17 -1.01 12.44 6.06 -1.14 -4.94 118.95 134.21 1t3o s ARG 6 Ca 0.31 0.66 -0.04 0.00 -2.50 0.00 0.00 55.73 54.16 1t3o s ARG 6 Cb -0.12 -0.24 0.28 0.00 0.06 0.00 0.00 34.95 34.93 1t3o s ARG 6 CO 0.21 -0.37 1.17 1.63 -2.50 0.00 0.00 175.30 175.44 1t3o n LYS 7 N 5.35 3.66 0.00 5.12 4.01 -1.22 -4.25 118.16 130.83 1t3o n LYS 7 Ca -0.06 -4.53 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 1t3o n LYS 7 Cb 0.50 -2.47 0.00 0.00 -0.51 0.00 0.00 35.03 32.54 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 1.82 0.00 -1.79 -0.18 5.41 -1.26 -5.05 119.36 118.31 1t3o n ILE 8 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1t3o n ILE 8 Cb 0.36 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 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 -1.85 -7.53 0.00 4.38 0.23 -1.26 -5.11 115.26 104.13 1t3o n ASN 9 Ca 0.00 1.15 0.00 0.00 -0.53 0.00 0.00 54.58 55.20 1t3o n ASN 9 Cb 0.00 -4.20 0.00 0.00 -2.08 0.00 0.00 39.78 33.50 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 1.48 0.00 -3.75 -3.83 0.28 -1.26 -5.17 120.64 108.39 1t3o n GLU 10 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1t3o n GLU 10 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.00 -0.87 -0.26 -1.84 0.00 -1.26 -4.22 121.76 112.31 1t3o s ALA 11 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 1t3o s ALA 11 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1t3o s ALA 11 CO 0.00 -0.23 0.06 0.42 0.00 0.00 0.00 175.76 176.01 1t3o s ILE 12 N -0.79 4.10 -0.33 0.00 -1.09 -0.94 -4.87 121.20 117.28 1t3o s ILE 12 Ca -0.09 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1t3o s ILE 12 Cb -0.04 -2.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.97 1t3o s ILE 12 CO 0.03 0.27 0.06 -1.58 -1.23 0.00 0.00 174.94 172.49 1t3o s GLN 13 N 1.57 1.33 -0.15 2.79 2.00 -1.26 -1.07 119.66 124.88 1t3o s GLN 13 Ca 0.05 -1.71 0.01 0.00 -2.00 0.00 0.00 55.36 51.71 1t3o s GLN 13 Cb -0.16 -2.96 0.00 0.00 0.80 0.00 0.00 33.01 30.70 1t3o s GLN 13 CO 0.02 -0.95 -0.18 0.96 -0.50 0.00 0.00 175.29 174.65 1t3o s ILE 14 N 1.05 2.45 0.00 -2.34 -0.00 -0.74 -4.70 121.20 116.91 1t3o s ILE 14 Ca 0.11 -0.85 0.00 0.00 -0.00 0.00 0.00 60.65 59.91 1t3o s ILE 14 Cb -0.19 -2.01 0.00 0.00 -0.00 0.00 0.00 42.46 40.26 1t3o s ILE 14 CO -0.11 0.53 0.00 0.61 -0.00 0.00 0.00 174.94 175.96 1t3o n GLY 15 N 4.05 0.10 3.00 6.27 0.00 -1.26 -2.42 105.19 114.92 1t3o n GLY 15 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.00 0.00 0.00 4.61 0.00 -1.26 -4.80 120.51 120.06 1t3o n ALA 16 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1t3o n ALA 16 Cb 0.22 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.40 2.12 -4.17 0.00 2.03 -1.01 -4.85 116.55 110.27 1t3o n ASP 17 Ca 0.00 0.22 -0.33 0.00 0.52 0.00 0.00 54.79 55.20 1t3o n ASP 17 Cb 0.20 -0.87 -0.16 0.00 -0.72 0.00 0.00 41.12 39.56 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 -2.55 2.09 -0.13 5.18 -1.09 -1.18 -5.05 121.20 118.46 1t3o s ILE 18 Ca -0.22 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.19 1t3o s ILE 18 Cb 0.07 -1.84 0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1t3o s ILE 18 CO 0.77 0.55 0.08 -1.83 -1.23 0.00 0.00 174.94 173.27 1t3o s GLU 19 N 0.87 0.04 0.00 2.79 -1.05 -1.23 -1.79 118.70 118.34 1t3o s GLU 19 Ca -0.06 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1t3o s GLU 19 Cb -0.15 -1.47 0.00 0.00 -0.44 0.00 0.00 34.13 32.06 1t3o s GLU 19 CO -0.03 -0.57 0.00 1.55 0.95 0.00 0.00 175.26 177.15 1t3o n VAL 20 N 5.28 0.00 -3.77 1.83 3.14 -0.23 -4.91 118.33 119.66 1t3o n VAL 20 Ca -0.06 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.02 1t3o n VAL 20 Cb 0.49 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.12 1t3o n VAL 20 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1t3o s LYS 21 N -2.00 0.85 -0.57 1.45 1.02 -1.26 -2.22 119.74 117.01 1t3o s LYS 21 Ca 0.00 -1.23 -0.25 0.00 0.02 0.00 0.00 55.97 54.50 1t3o s LYS 21 Cb 0.00 -2.18 0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1t3o s LYS 21 CO 0.00 -0.99 1.02 0.08 -0.92 0.00 0.00 175.35 174.54 1t3o s VAL 22 N 1.46 4.27 -0.09 3.17 1.01 -1.00 -4.84 120.40 124.37 1t3o s VAL 22 Ca 0.10 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1t3o s VAL 22 Cb -0.18 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1t3o s VAL 22 CO -0.22 -1.21 0.77 -0.63 0.00 0.00 0.00 175.10 173.82 1t3o s ILE 23 N 4.28 4.98 0.08 2.22 1.01 -1.26 0.32 121.20 132.82 1t3o s ILE 23 Ca 0.34 1.57 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1t3o s ILE 23 Cb -0.11 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1t3o s ILE 23 CO 0.21 0.17 -0.20 0.00 0.00 0.00 0.00 174.94 175.12 1t3o s ALA 24 N 1.23 1.71 -0.44 9.38 0.00 -0.19 -4.99 121.76 128.46 1t3o s ALA 24 Ca 0.39 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.98 1t3o s ALA 24 Cb -0.18 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1t3o s ALA 24 CO 0.18 0.35 0.69 0.08 0.00 0.00 0.00 175.76 177.05 1t3o s VAL 25 N -1.06 4.77 -0.07 0.00 1.01 -1.26 -2.90 120.40 120.89 1t3o s VAL 25 Ca 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1t3o s VAL 25 Cb -0.10 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1t3o s VAL 25 CO 0.03 -0.64 1.79 1.21 0.00 0.00 0.00 175.10 177.50 1t3o n GLU 26 N 6.40 1.17 0.00 2.72 2.13 0.85 -4.83 120.64 129.09 1t3o n GLU 26 Ca -0.00 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.46 1t3o n GLU 26 Cb 0.48 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.05 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 1.02 1.86 0.00 8.31 0.00 -1.26 -3.20 105.19 111.91 1t3o n GLY 27 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.56 1.02 -4.38 1.61 5.75 -1.26 -5.05 116.55 117.79 1t3o n ASP 28 Ca 0.00 -1.32 -0.28 0.00 -0.01 0.00 0.00 54.79 53.17 1t3o n ASP 28 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.32 1.39 -0.26 0.11 0.74 -1.20 -5.12 119.66 115.01 1t3o s GLN 29 Ca 0.00 -1.35 -0.07 0.00 0.05 0.00 0.00 55.36 53.99 1t3o s GLN 29 Cb 0.00 -1.86 -0.02 0.00 1.10 0.00 0.00 33.01 32.23 1t3o s GLN 29 CO 0.00 0.44 0.07 0.08 -0.55 0.00 0.00 175.29 175.32 1t3o s VAL 30 N -1.12 4.19 0.04 1.34 1.01 -1.26 -0.10 120.40 124.50 1t3o s VAL 30 Ca 0.14 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1t3o s VAL 30 Cb -0.10 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1t3o s VAL 30 CO 0.06 0.29 -0.08 -1.59 0.00 0.00 0.00 175.10 173.78 1t3o s LYS 31 N 1.59 0.53 0.41 2.72 -2.85 -1.14 -2.91 119.74 118.08 1t3o s LYS 31 Ca 0.06 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.32 1t3o s LYS 31 Cb -0.15 -0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.30 1t3o s LYS 31 CO 0.03 0.06 0.60 -0.48 0.10 0.00 0.00 175.35 175.66 1t3o s LEU 32 N -1.51 3.77 -0.02 2.77 0.05 0.16 -1.02 118.68 122.88 1t3o s LEU 32 Ca -0.09 0.13 0.01 0.00 0.05 0.00 0.00 54.13 54.22 1t3o s LEU 32 Cb -0.10 -3.02 0.02 0.00 -2.05 0.00 0.00 46.19 41.03 1t3o s LEU 32 CO 0.00 -0.60 -0.01 -0.83 -0.55 0.00 0.00 176.35 174.37 1t3o s GLY 33 N -4.20 0.18 -0.26 -3.48 0.00 0.15 0.77 107.32 100.48 1t3o s GLY 33 Ca 0.47 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 1t3o s GLY 33 CO 0.35 0.31 0.17 -0.26 0.00 0.00 0.00 173.10 173.67 1t3o s ILE 34 N 0.56 5.25 -0.06 0.90 -4.36 0.52 -2.37 121.20 121.64 1t3o s ILE 34 Ca -0.05 0.15 0.03 0.00 -0.26 0.00 0.00 60.65 60.51 1t3o s ILE 34 Cb -0.08 -3.48 -0.03 0.00 1.25 0.00 0.00 42.46 40.13 1t3o s ILE 34 CO -0.01 0.30 -0.13 1.51 0.24 0.00 0.00 174.94 176.85 1t3o s ASP 35 N 1.45 4.14 0.05 4.36 1.47 -1.26 -1.31 116.67 125.57 1t3o s ASP 35 Ca 0.07 -0.17 0.01 0.00 1.18 0.00 0.00 52.55 53.64 1t3o s ASP 35 Cb -0.15 -0.95 -0.03 0.00 -0.34 0.00 0.00 42.92 41.45 1t3o s ASP 35 CO 0.08 0.34 -0.05 0.00 0.68 0.00 0.00 175.17 176.21 1t3o s ALA 36 N -0.67 0.54 -0.77 2.11 0.00 -1.00 -5.01 121.76 116.96 1t3o s ALA 36 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1t3o s ALA 36 Cb -0.11 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1t3o s ALA 36 CO 0.01 -0.18 0.24 -2.30 0.00 0.00 0.00 175.76 173.53 1t3o n PRO 37 N 0.85 0.39 -2.28 0.00 -0.02 -1.26 -2.95 135.00 129.72 1t3o n PRO 37 Ca -0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.13 1t3o n PRO 37 Cb 0.58 -1.22 -0.01 0.00 -0.02 0.00 0.00 33.50 32.83 1t3o n PRO 37 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1t3o n LYS 38 N 0.42 -1.30 -0.33 -0.52 4.76 -1.26 -4.84 118.16 115.09 1t3o n LYS 38 Ca 0.00 0.81 -0.10 0.00 -2.87 0.00 0.00 58.31 56.15 1t3o n LYS 38 Cb 0.12 -5.21 0.08 0.00 -1.84 0.00 0.00 35.03 28.18 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1t3o n HIS 39 N -3.96 -3.24 -2.91 2.13 1.44 -1.26 -5.04 115.22 102.38 1t3o n HIS 39 Ca -0.19 -0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 54.88 1t3o n HIS 39 Cb 0.64 -0.38 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 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 -1.63 4.70 -0.28 0.61 -0.00 -1.26 -5.05 121.20 118.28 1t3o s ILE 40 Ca 0.23 0.86 -0.10 0.00 -0.00 0.00 0.00 60.65 61.63 1t3o s ILE 40 Cb -0.02 -3.68 -0.04 0.00 -0.00 0.00 0.00 42.46 38.72 1t3o s ILE 40 CO 0.18 -0.40 0.17 1.51 -0.00 0.00 0.00 174.94 176.39 1t3o s ASP 41 N -2.77 5.83 0.35 4.36 -4.77 -1.26 -5.07 116.67 113.35 1t3o s ASP 41 Ca 0.54 -0.10 -0.20 0.00 -3.30 0.00 0.00 52.55 49.49 1t3o s ASP 41 Cb -0.10 -2.08 -0.10 0.00 -1.09 0.00 0.00 42.92 39.55 1t3o s ASP 41 CO 0.25 -0.07 0.85 -0.63 0.70 0.00 0.00 175.17 176.28 1t3o s ILE 42 N 1.72 4.47 0.18 2.11 1.01 -1.26 -5.08 121.20 124.36 1t3o s ILE 42 Ca 0.07 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 62.02 1t3o s ILE 42 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1t3o s ILE 42 CO 0.09 -0.14 0.19 -1.00 0.00 0.00 0.00 174.94 174.09 1t3o s HIS 43 N -1.95 0.82 0.00 3.97 3.76 -1.26 -4.74 115.29 115.89 1t3o s HIS 43 Ca 0.55 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 1t3o s HIS 43 Cb -0.12 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1t3o s HIS 43 CO 0.17 -0.68 0.00 0.54 -0.85 0.00 0.00 174.74 173.92 1t3o n ARG 44 N -0.23 0.00 0.14 1.40 1.74 -1.26 -4.97 116.66 113.47 1t3o n ARG 44 Ca -0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1t3o n ARG 44 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.06 1t3o n ARG 44 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1t3o h LYS 45 N 0.00 -0.35 0.00 5.56 3.64 -2.06 -3.46 116.57 119.89 1t3o h LYS 45 Ca 0.00 0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.96 1t3o h LYS 45 Cb 0.00 0.08 0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1t3o h LYS 45 CO 0.00 -0.24 -0.01 0.39 -2.27 0.00 0.00 179.45 177.32 1t3o n GLU 46 N -3.39 0.41 -2.75 1.90 1.02 -1.26 -5.05 120.64 111.51 1t3o n GLU 46 Ca -0.05 -2.81 -0.42 0.00 -0.02 0.00 0.00 57.16 53.86 1t3o n GLU 46 Cb 0.14 -0.35 -0.03 0.00 -0.02 0.00 0.00 31.44 31.18 1t3o n GLU 46 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1t3o s ILE 47 N -2.54 4.74 -1.68 -3.67 -4.36 -1.26 -4.80 121.20 107.64 1t3o s ILE 47 Ca 0.59 1.84 0.27 0.00 -0.26 0.00 0.00 60.65 63.08 1t3o s ILE 47 Cb -0.04 -4.23 0.32 0.00 1.25 0.00 0.00 42.46 39.76 1t3o s ILE 47 CO 0.38 -0.14 1.67 0.00 0.24 0.00 0.00 174.94 177.09 1t3o n TYR 48 N 6.20 0.00 0.00 1.37 0.18 -1.26 -4.52 117.16 119.13 1t3o n TYR 48 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 1t3o n TYR 48 Cb 0.47 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 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 -0.80 0.00 -0.79 -3.48 4.77 -1.26 -4.89 117.00 110.55 1t3o n LEU 49 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1t3o n LEU 49 Cb 0.32 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1t3o n LEU 49 CO 0.25 -0.19 -0.10 0.41 -1.33 0.00 0.00 177.39 176.43 1t3o n THR 50 N -1.83 0.00 -0.01 -5.08 -1.04 -1.26 -4.81 114.28 100.25 1t3o n THR 50 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1t3o n THR 50 Cb 0.00 -1.31 -0.01 0.00 -1.82 0.00 0.00 70.33 67.19 1t3o n THR 50 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1t3o n ILE 51 N -2.47 0.79 1.72 12.58 5.41 -1.26 -4.32 119.36 131.82 1t3o n ILE 51 Ca -0.10 0.27 0.15 0.00 1.00 0.00 0.00 62.75 64.06 1t3o n ILE 51 Cb 0.46 -1.67 0.74 0.00 -0.71 0.00 0.00 39.64 38.45 1t3o n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1t3o n GLN 52 N -3.36 1.19 -0.04 0.38 10.64 -1.26 -1.30 117.38 123.63 1t3o n GLN 52 Ca -0.04 -0.39 -0.14 0.00 -1.83 0.00 0.00 57.00 54.59 1t3o n GLN 52 Cb 0.15 -1.49 -0.14 0.00 -0.86 0.00 0.00 30.24 27.90 1t3o n GLN 52 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1t3o n GLU 53 N -0.56 0.69 -0.05 2.61 -0.00 -1.26 -1.18 120.64 120.89 1t3o n GLU 53 Ca 0.21 0.22 -0.11 0.00 -0.00 0.00 0.00 57.16 57.48 1t3o n GLU 53 Cb 0.23 -1.69 -0.05 0.00 -0.00 0.00 0.00 31.44 29.92 1t3o n GLU 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1t3o h GLU 54 N 0.02 0.27 0.00 3.44 4.39 -1.73 -3.43 114.58 117.55 1t3o h GLU 54 Ca -0.40 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1t3o h GLU 54 Cb 2.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1t3o h GLU 54 CO 0.06 0.43 0.00 -1.71 -1.16 0.00 0.00 179.01 176.63 1t3o n ASN 55 N -4.79 0.00 0.00 1.42 4.05 -0.42 -4.73 115.26 110.79 1t3o n ASN 55 Ca -0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.98 1t3o n ASN 55 Cb 0.17 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.18 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 0.00 1.20 2.85 -0.32 -3.82 115.26 115.17 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 -2.92 1.20 1.85 -1.26 -4.71 116.66 110.82 1t3o n ARG 57 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1t3o n ARG 57 Cb 0.00 -0.06 0.01 0.00 -1.05 0.00 0.00 32.46 31.35 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o n ALA 58 N -2.26 4.97 -1.37 2.89 0.00 -1.25 -5.01 120.51 118.48 1t3o n ALA 58 Ca 0.00 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.45 1t3o n ALA 58 Cb 0.00 -2.55 0.10 0.00 0.00 0.00 0.00 19.45 17.00 1t3o n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o s ALA 59 N -1.56 2.07 0.08 0.00 0.00 -1.26 -4.63 121.76 116.45 1t3o s ALA 59 Ca 0.34 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1t3o s ALA 59 Cb 0.03 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1t3o s ALA 59 CO 0.05 -2.00 -0.16 0.00 0.00 0.00 0.00 175.76 173.65 1t3o s ALA 60 N -1.83 1.37 0.35 0.00 0.00 -1.26 -5.03 121.76 115.36 1t3o s ALA 60 Ca 0.77 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1t3o s ALA 60 Cb -0.32 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1t3o s ALA 60 CO 0.46 0.23 0.03 -0.51 0.00 0.00 0.00 175.76 175.96 1t3o s LEU 61 N -1.76 2.47 0.00 0.00 1.43 -1.26 -4.32 118.68 115.24 1t3o s LEU 61 Ca 0.01 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1t3o s LEU 61 Cb -0.10 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1t3o s LEU 61 CO 0.03 -0.52 0.00 -1.20 0.23 0.00 0.00 176.35 174.89 1t3o n SER 62 N -0.78 0.00 0.04 2.29 7.64 -1.26 -3.17 113.62 118.38 1t3o n SER 62 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.87 1t3o n SER 62 Cb 0.66 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 64.01 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 1.43 0.14 -2.74 6.43 7.64 -1.26 -4.76 113.62 120.50 1t3o n SER 63 Ca 0.00 0.54 -0.21 0.00 1.01 0.00 0.00 58.87 60.21 1t3o n SER 63 Cb 0.00 -0.55 0.03 0.00 -1.01 0.00 0.00 64.21 62.68 1t3o n SER 63 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1t3o n ASP 64 N -1.67 -5.82 0.26 6.43 2.03 -1.19 -4.85 116.55 111.75 1t3o n ASP 64 Ca -0.00 -0.24 0.12 0.00 0.52 0.00 0.00 54.79 55.19 1t3o n ASP 64 Cb 0.05 -4.67 0.71 0.00 -0.72 0.00 0.00 41.12 36.49 1t3o n ASP 64 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1t3o h VAL 65 N -1.13 0.65 0.00 5.18 2.07 -1.86 -3.46 116.25 117.70 1t3o h VAL 65 Ca -0.49 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1t3o h VAL 65 Cb 1.34 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1t3o h VAL 65 CO 0.53 0.12 0.00 -0.38 0.02 0.00 0.00 177.57 177.86 1t3o n ILE 66 N -3.76 0.00 0.00 4.57 5.41 -1.26 -4.54 119.36 119.78 1t3o n ILE 66 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1t3o n ILE 66 Cb 0.23 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 1t3o n ILE 66 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1t3o n SER 67 N 2.13 0.00 -4.63 4.38 7.64 -1.26 -4.62 113.62 117.26 1t3o n SER 67 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1t3o n SER 67 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3o s ALA 68 N 0.00 3.55 -1.22 -0.43 0.00 -1.26 -3.76 121.76 118.63 1t3o s ALA 68 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1t3o s ALA 68 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1t3o s ALA 68 CO 0.00 -1.29 0.83 1.28 0.00 0.00 0.00 175.76 176.58 1t3o n LEU 69 N 6.51 -3.78 0.25 0.00 4.77 -1.26 -4.86 117.00 118.63 1t3o n LEU 69 Ca 0.09 -0.77 0.13 0.00 -0.03 0.00 0.00 56.01 55.43 1t3o n LEU 69 Cb 0.47 -2.86 0.79 0.00 -2.33 0.00 0.00 43.42 39.50 1t3o n LEU 69 CO 0.54 0.35 1.11 -1.28 -1.33 0.00 0.00 177.39 176.79 1t3o h SER 70 N -1.74 0.00 -0.98 -1.43 0.87 -1.80 0.54 113.55 109.00 1t3o h SER 70 Ca -0.61 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.31 1t3o h SER 70 Cb 1.35 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 63.01 1t3o h SER 70 CO 0.52 0.00 0.77 -1.20 -0.53 0.00 0.00 176.83 176.39 1t3o n SER 71 N -4.11 6.82 -4.67 6.23 7.64 -1.26 -4.93 113.62 119.32 1t3o n SER 71 Ca -0.02 -3.75 -0.48 0.00 1.01 0.00 0.00 58.87 55.63 1t3o n SER 71 Cb 0.15 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1t3o n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3o n GLN 72 N -0.96 2.07 -4.03 1.43 10.64 0.18 -4.95 117.38 121.75 1t3o n GLN 72 Ca 0.62 0.75 -0.35 0.00 -1.83 0.00 0.00 57.00 56.19 1t3o n GLN 72 Cb 0.87 -2.56 -0.09 0.00 -0.86 0.00 0.00 30.24 27.61 1t3o n GLN 72 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1t3o s LYS 73 N 2.76 3.65 0.00 2.61 0.00 -1.26 -5.18 119.74 122.32 1t3o s LYS 73 Ca 0.88 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 56.55 1t3o s LYS 73 Cb -0.72 -3.13 0.00 0.00 0.00 0.00 0.00 37.83 33.98 1t3o s LYS 73 CO 0.47 0.49 0.04 1.63 0.00 0.00 0.00 175.35 177.99